USER MOD reduce.3.24.130724 H: found=0, std=0, add=991, rem=0, adj=31 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 96 LYS NZ :NH3+ -111:sc= -0.195 (180deg=-1.98) USER MOD Set 1.2: A 98 GLN : amide:sc= -8.31! K(o=-8.5!,f=-0.6) USER MOD Set 2.1: A 27 MET CE :methyl -161:sc= -3.35! (180deg=-5.15!) USER MOD Set 2.2: A 41 ASN : amide:sc= -4.78 K(o=-11,f=-22!) USER MOD Set 2.3: A 93 TYR OH : rot 41:sc= -2.99! USER MOD Set 3.1: A 17 GLN : amide:sc= -14.6! C(o=-20!,f=-15!) USER MOD Set 3.2: A 45 HIS : no HD1:sc= -0.698 K(o=-20,f=-19) USER MOD Set 3.3: A 79 THR OG1 : rot -160:sc= -4.75! USER MOD Set 4.1: A 57 THR OG1 : rot -130:sc= -0.999 USER MOD Set 4.2: A 71 GLN : amide:sc= -8.66! C(o=-9.7!,f=-3.5!) USER MOD Set 5.1: A 49 SER OG : rot 180:sc= 0 USER MOD Set 5.2: A 115 GLN : amide:sc= 0.049 X(o=0.049,f=-0.18) USER MOD Set 6.1: A 15 HIS : no HD1:sc= -13.6! C(o=-15!,f=-12!) USER MOD Set 6.2: A 42 THR OG1 : rot 180:sc= -1.37 USER MOD Set 7.1: A 28 LYS NZ :NH3+ 157:sc= 0.976 (180deg=0.272) USER MOD Set 7.2: A 31 ASN : amide:sc= -4.44! C(o=-3.5!,f=-8.1!) USER MOD Set 8.1: A 21 GLN : amide:sc= -0.353 X(o=-2.7,f=-2.4) USER MOD Set 8.2: A 25 SER OG : rot 120:sc= -2.36 USER MOD Set 9.1: A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 9.2: A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot -100:sc= -2.87! USER MOD Single : A 7 SER OG : rot -140:sc= -1.01! USER MOD Single : A 8 SER OG : rot 53:sc= -0.225 USER MOD Single : A 9 GLN : amide:sc= -1.19 K(o=-1.2,f=-2.6!) USER MOD Single : A 14 GLN : amide:sc= -11.4! C(o=-11!,f=-17!) USER MOD Single : A 19 SER OG : rot 180:sc= -1.06 USER MOD Single : A 24 ASN : amide:sc= -4.26! C(o=-4.3!,f=-10!) USER MOD Single : A 29 ASN : amide:sc= -0.894 K(o=-0.89,f=-1.8!) USER MOD Single : A 32 LYS NZ :NH3+ 174:sc= -5.14! (180deg=-5.5!) USER MOD Single : A 33 HIS : no HD1:sc= -5.84! C(o=-5.8!,f=-6.5!) USER MOD Single : A 34 THR OG1 : rot -79:sc= 0.131! USER MOD Single : A 35 LYS NZ :NH3+ -161:sc= -0.0487 (180deg=-0.614) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 25:sc= -0.943 USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -128:sc= -0.911 (180deg=-2.58!) USER MOD Single : A 64 ASN : amide:sc= -1.6! K(o=-1.6!,f=0.42) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= -0.64 K(o=-0.64,f=-2.8) USER MOD Single : A 70 HIS : no HD1:sc= -22.9! C(o=-21!,f=-27!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 HIS : no HD1:sc= -0.541 K(o=-0.54,f=-1.4) USER MOD Single : A 77 SER OG : rot 180:sc= -0.0644 USER MOD Single : A 80 MET CE :methyl 151:sc= -0.232 (180deg=-1.66!) USER MOD Single : A 82 LYS NZ :NH3+ 166:sc= -0.364 (180deg=-0.827) USER MOD Single : A 84 THR OG1 : rot -50:sc= -0.554! USER MOD Single : A 85 SER OG : rot 59:sc= 0.635 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 TYR OH : rot 13:sc= -0.727 USER MOD Single : A 90 ASN : amide:sc= -0.308 K(o=-0.31,f=-1.3) USER MOD Single : A 94 LYS NZ :NH3+ 155:sc= -0.0473 (180deg=-0.396) USER MOD Single : A 99 ASN : amide:sc= -1.87! K(o=-1.9!,f=-1.2) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 SER OG : rot 180:sc= -2.78! USER MOD Single : A 102 TYR OH : rot 150:sc= -1.11 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 GLN : amide:sc= -0.18 X(o=-0.18,f=-0.014) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0509) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 116 GLN : amide:sc= -0.128 K(o=-0.13,f=-0.94) USER MOD Single : A 118 HIS : no HD1:sc= -1.19 K(o=-1.2,f=-2.6!) USER MOD Single : A 123 HIS : no HD1:sc= -5.8! C(o=-5.8!,f=-13!) USER MOD ----------------------------------------------------------------- ATOM 85 N MET A 5 101.663 5.903 13.389 1.00 0.00 N ATOM 86 CA MET A 5 101.410 5.635 11.947 1.00 0.00 C ATOM 87 C MET A 5 102.277 6.559 11.090 1.00 0.00 C ATOM 88 O MET A 5 101.779 7.279 10.248 1.00 0.00 O ATOM 89 CB MET A 5 99.937 5.895 11.637 1.00 0.00 C ATOM 90 CG MET A 5 99.073 5.120 12.628 1.00 0.00 C ATOM 91 SD MET A 5 97.330 5.281 12.169 1.00 0.00 S ATOM 92 CE MET A 5 96.664 4.132 13.398 1.00 0.00 C ATOM 0 HA MET A 5 101.657 4.597 11.723 1.00 0.00 H new ATOM 0 HB2 MET A 5 99.721 6.961 11.704 1.00 0.00 H new ATOM 0 HB3 MET A 5 99.707 5.587 10.617 1.00 0.00 H new ATOM 0 HG2 MET A 5 99.362 4.069 12.634 1.00 0.00 H new ATOM 0 HG3 MET A 5 99.230 5.500 13.638 1.00 0.00 H new ATOM 0 HE1 MET A 5 95.580 4.076 13.294 1.00 0.00 H new ATOM 0 HE2 MET A 5 97.095 3.143 13.243 1.00 0.00 H new ATOM 0 HE3 MET A 5 96.915 4.484 14.399 1.00 0.00 H new ATOM 102 N THR A 6 103.570 6.549 11.290 1.00 0.00 N ATOM 103 CA THR A 6 104.443 7.434 10.470 1.00 0.00 C ATOM 104 C THR A 6 104.061 7.273 8.991 1.00 0.00 C ATOM 105 O THR A 6 103.389 6.335 8.620 1.00 0.00 O ATOM 106 CB THR A 6 105.923 7.076 10.699 1.00 0.00 C ATOM 107 OG1 THR A 6 106.401 7.791 11.829 1.00 0.00 O ATOM 108 CG2 THR A 6 106.762 7.459 9.477 1.00 0.00 C ATOM 0 H THR A 6 104.053 5.972 11.979 1.00 0.00 H new ATOM 0 HA THR A 6 104.302 8.474 10.764 1.00 0.00 H new ATOM 0 HB THR A 6 106.006 6.002 10.864 1.00 0.00 H new ATOM 0 HG1 THR A 6 106.907 8.575 11.530 1.00 0.00 H new ATOM 0 HG21 THR A 6 107.805 7.199 9.656 1.00 0.00 H new ATOM 0 HG22 THR A 6 106.398 6.919 8.602 1.00 0.00 H new ATOM 0 HG23 THR A 6 106.680 8.532 9.301 1.00 0.00 H new ATOM 116 N SER A 7 104.464 8.185 8.147 1.00 0.00 N ATOM 117 CA SER A 7 104.098 8.072 6.703 1.00 0.00 C ATOM 118 C SER A 7 104.456 6.676 6.190 1.00 0.00 C ATOM 119 O SER A 7 103.607 5.930 5.744 1.00 0.00 O ATOM 120 CB SER A 7 104.868 9.123 5.904 1.00 0.00 C ATOM 121 OG SER A 7 106.214 8.695 5.742 1.00 0.00 O ATOM 0 H SER A 7 105.028 8.999 8.392 1.00 0.00 H new ATOM 0 HA SER A 7 103.027 8.235 6.585 1.00 0.00 H new ATOM 0 HB2 SER A 7 104.401 9.270 4.930 1.00 0.00 H new ATOM 0 HB3 SER A 7 104.839 10.083 6.420 1.00 0.00 H new ATOM 0 HG SER A 7 106.816 9.462 5.844 1.00 0.00 H new ATOM 127 N SER A 8 105.706 6.314 6.258 1.00 0.00 N ATOM 128 CA SER A 8 106.122 4.963 5.786 1.00 0.00 C ATOM 129 C SER A 8 105.489 3.903 6.672 1.00 0.00 C ATOM 130 O SER A 8 105.068 2.868 6.211 1.00 0.00 O ATOM 131 CB SER A 8 107.639 4.841 5.870 1.00 0.00 C ATOM 132 OG SER A 8 108.018 3.510 5.549 1.00 0.00 O ATOM 0 H SER A 8 106.460 6.897 6.621 1.00 0.00 H new ATOM 0 HA SER A 8 105.798 4.824 4.755 1.00 0.00 H new ATOM 0 HB2 SER A 8 108.111 5.542 5.182 1.00 0.00 H new ATOM 0 HB3 SER A 8 107.982 5.098 6.872 1.00 0.00 H new ATOM 0 HG SER A 8 107.627 3.258 4.686 1.00 0.00 H new ATOM 138 N GLN A 9 105.419 4.155 7.941 1.00 0.00 N ATOM 139 CA GLN A 9 104.809 3.165 8.864 1.00 0.00 C ATOM 140 C GLN A 9 103.416 2.785 8.344 1.00 0.00 C ATOM 141 O GLN A 9 103.088 1.625 8.197 1.00 0.00 O ATOM 142 CB GLN A 9 104.710 3.814 10.245 1.00 0.00 C ATOM 143 CG GLN A 9 103.668 3.107 11.106 1.00 0.00 C ATOM 144 CD GLN A 9 104.020 1.624 11.228 1.00 0.00 C ATOM 145 OE1 GLN A 9 103.144 0.785 11.313 1.00 0.00 O ATOM 146 NE2 GLN A 9 105.273 1.261 11.242 1.00 0.00 N ATOM 0 H GLN A 9 105.759 5.008 8.384 1.00 0.00 H new ATOM 0 HA GLN A 9 105.412 2.259 8.926 1.00 0.00 H new ATOM 0 HB2 GLN A 9 105.681 3.777 10.739 1.00 0.00 H new ATOM 0 HB3 GLN A 9 104.446 4.866 10.139 1.00 0.00 H new ATOM 0 HG2 GLN A 9 103.629 3.564 12.095 1.00 0.00 H new ATOM 0 HG3 GLN A 9 102.679 3.221 10.663 1.00 0.00 H new ATOM 0 HE21 GLN A 9 106.008 1.964 11.171 1.00 0.00 H new ATOM 0 HE22 GLN A 9 105.517 0.274 11.324 1.00 0.00 H new ATOM 155 N TRP A 10 102.594 3.755 8.060 1.00 0.00 N ATOM 156 CA TRP A 10 101.230 3.450 7.550 1.00 0.00 C ATOM 157 C TRP A 10 101.344 2.713 6.214 1.00 0.00 C ATOM 158 O TRP A 10 100.541 1.862 5.879 1.00 0.00 O ATOM 159 CB TRP A 10 100.451 4.769 7.377 1.00 0.00 C ATOM 160 CG TRP A 10 99.600 4.726 6.143 1.00 0.00 C ATOM 161 CD1 TRP A 10 99.624 5.650 5.155 1.00 0.00 C ATOM 162 CD2 TRP A 10 98.606 3.734 5.749 1.00 0.00 C ATOM 163 NE1 TRP A 10 98.712 5.287 4.180 1.00 0.00 N ATOM 164 CE2 TRP A 10 98.061 4.113 4.500 1.00 0.00 C ATOM 165 CE3 TRP A 10 98.132 2.553 6.346 1.00 0.00 C ATOM 166 CZ2 TRP A 10 97.081 3.347 3.868 1.00 0.00 C ATOM 167 CZ3 TRP A 10 97.148 1.779 5.712 1.00 0.00 C ATOM 168 CH2 TRP A 10 96.624 2.175 4.476 1.00 0.00 C ATOM 0 H TRP A 10 102.808 4.747 8.159 1.00 0.00 H new ATOM 0 HA TRP A 10 100.696 2.814 8.256 1.00 0.00 H new ATOM 0 HB2 TRP A 10 99.824 4.944 8.251 1.00 0.00 H new ATOM 0 HB3 TRP A 10 101.149 5.604 7.314 1.00 0.00 H new ATOM 0 HD1 TRP A 10 100.253 6.528 5.131 1.00 0.00 H new ATOM 0 HE1 TRP A 10 98.542 5.822 3.328 1.00 0.00 H new ATOM 0 HE3 TRP A 10 98.528 2.239 7.300 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 96.678 3.658 2.915 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 96.793 0.873 6.180 1.00 0.00 H new ATOM 0 HH2 TRP A 10 95.867 1.575 3.993 1.00 0.00 H new ATOM 179 N PHE A 11 102.335 3.038 5.448 1.00 0.00 N ATOM 180 CA PHE A 11 102.498 2.375 4.123 1.00 0.00 C ATOM 181 C PHE A 11 103.150 1.003 4.278 1.00 0.00 C ATOM 182 O PHE A 11 103.192 0.232 3.348 1.00 0.00 O ATOM 183 CB PHE A 11 103.332 3.260 3.191 1.00 0.00 C ATOM 184 CG PHE A 11 102.468 3.669 2.023 1.00 0.00 C ATOM 185 CD1 PHE A 11 101.619 4.771 2.142 1.00 0.00 C ATOM 186 CD2 PHE A 11 102.501 2.934 0.833 1.00 0.00 C ATOM 187 CE1 PHE A 11 100.800 5.143 1.075 1.00 0.00 C ATOM 188 CE2 PHE A 11 101.685 3.306 -0.238 1.00 0.00 C ATOM 189 CZ PHE A 11 100.832 4.410 -0.118 1.00 0.00 C ATOM 0 H PHE A 11 103.044 3.735 5.676 1.00 0.00 H new ATOM 0 HA PHE A 11 101.510 2.233 3.685 1.00 0.00 H new ATOM 0 HB2 PHE A 11 103.690 4.141 3.724 1.00 0.00 H new ATOM 0 HB3 PHE A 11 104.211 2.719 2.841 1.00 0.00 H new ATOM 0 HD1 PHE A 11 101.596 5.337 3.062 1.00 0.00 H new ATOM 0 HD2 PHE A 11 103.156 2.080 0.743 1.00 0.00 H new ATOM 0 HE1 PHE A 11 100.143 5.995 1.169 1.00 0.00 H new ATOM 0 HE2 PHE A 11 101.712 2.742 -1.159 1.00 0.00 H new ATOM 0 HZ PHE A 11 100.199 4.696 -0.945 1.00 0.00 H new ATOM 199 N LYS A 12 103.638 0.673 5.435 1.00 0.00 N ATOM 200 CA LYS A 12 104.241 -0.674 5.606 1.00 0.00 C ATOM 201 C LYS A 12 103.107 -1.612 6.007 1.00 0.00 C ATOM 202 O LYS A 12 103.087 -2.774 5.689 1.00 0.00 O ATOM 203 CB LYS A 12 105.361 -0.640 6.666 1.00 0.00 C ATOM 204 CG LYS A 12 104.790 -0.713 8.093 1.00 0.00 C ATOM 205 CD LYS A 12 104.758 -2.166 8.589 1.00 0.00 C ATOM 206 CE LYS A 12 104.667 -2.182 10.117 1.00 0.00 C ATOM 207 NZ LYS A 12 104.192 -3.520 10.572 1.00 0.00 N ATOM 0 H LYS A 12 103.647 1.269 6.263 1.00 0.00 H new ATOM 0 HA LYS A 12 104.708 -1.020 4.684 1.00 0.00 H new ATOM 0 HB2 LYS A 12 106.043 -1.474 6.503 1.00 0.00 H new ATOM 0 HB3 LYS A 12 105.943 0.274 6.552 1.00 0.00 H new ATOM 0 HG2 LYS A 12 105.398 -0.107 8.765 1.00 0.00 H new ATOM 0 HG3 LYS A 12 103.783 -0.295 8.109 1.00 0.00 H new ATOM 0 HD2 LYS A 12 103.905 -2.690 8.158 1.00 0.00 H new ATOM 0 HD3 LYS A 12 105.654 -2.693 8.262 1.00 0.00 H new ATOM 0 HE2 LYS A 12 105.642 -1.963 10.552 1.00 0.00 H new ATOM 0 HE3 LYS A 12 103.983 -1.405 10.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 104.130 -3.532 11.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 103.254 -3.711 10.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 104.861 -4.251 10.257 1.00 0.00 H new ATOM 221 N ILE A 13 102.126 -1.091 6.659 1.00 0.00 N ATOM 222 CA ILE A 13 100.964 -1.936 7.032 1.00 0.00 C ATOM 223 C ILE A 13 100.069 -2.024 5.802 1.00 0.00 C ATOM 224 O ILE A 13 99.246 -2.908 5.668 1.00 0.00 O ATOM 225 CB ILE A 13 100.202 -1.311 8.213 1.00 0.00 C ATOM 226 CG1 ILE A 13 100.181 0.219 8.070 1.00 0.00 C ATOM 227 CG2 ILE A 13 100.890 -1.702 9.527 1.00 0.00 C ATOM 228 CD1 ILE A 13 99.883 0.886 9.421 1.00 0.00 C ATOM 0 H ILE A 13 102.071 -0.116 6.954 1.00 0.00 H new ATOM 0 HA ILE A 13 101.288 -2.928 7.346 1.00 0.00 H new ATOM 0 HB ILE A 13 99.176 -1.680 8.218 1.00 0.00 H new ATOM 0 HG12 ILE A 13 101.142 0.567 7.691 1.00 0.00 H new ATOM 0 HG13 ILE A 13 99.426 0.511 7.340 1.00 0.00 H new ATOM 0 HG21 ILE A 13 100.351 -1.260 10.365 1.00 0.00 H new ATOM 0 HG22 ILE A 13 100.891 -2.787 9.628 1.00 0.00 H new ATOM 0 HG23 ILE A 13 101.917 -1.337 9.523 1.00 0.00 H new ATOM 0 HD11 ILE A 13 99.873 1.969 9.298 1.00 0.00 H new ATOM 0 HD12 ILE A 13 98.911 0.553 9.785 1.00 0.00 H new ATOM 0 HD13 ILE A 13 100.654 0.610 10.141 1.00 0.00 H new ATOM 240 N GLN A 14 100.244 -1.099 4.894 1.00 0.00 N ATOM 241 CA GLN A 14 99.436 -1.087 3.647 1.00 0.00 C ATOM 242 C GLN A 14 100.271 -1.636 2.469 1.00 0.00 C ATOM 243 O GLN A 14 99.750 -1.879 1.398 1.00 0.00 O ATOM 244 CB GLN A 14 99.017 0.372 3.363 1.00 0.00 C ATOM 245 CG GLN A 14 99.633 0.862 2.059 1.00 0.00 C ATOM 246 CD GLN A 14 99.288 2.338 1.851 1.00 0.00 C ATOM 247 OE1 GLN A 14 99.632 3.174 2.661 1.00 0.00 O ATOM 248 NE2 GLN A 14 98.616 2.695 0.790 1.00 0.00 N ATOM 0 H GLN A 14 100.924 -0.342 4.969 1.00 0.00 H new ATOM 0 HA GLN A 14 98.554 -1.717 3.763 1.00 0.00 H new ATOM 0 HB2 GLN A 14 97.931 0.440 3.306 1.00 0.00 H new ATOM 0 HB3 GLN A 14 99.334 1.014 4.185 1.00 0.00 H new ATOM 0 HG2 GLN A 14 100.715 0.731 2.084 1.00 0.00 H new ATOM 0 HG3 GLN A 14 99.260 0.270 1.224 1.00 0.00 H new ATOM 0 HE21 GLN A 14 98.327 1.993 0.109 1.00 0.00 H new ATOM 0 HE22 GLN A 14 98.380 3.676 0.642 1.00 0.00 H new ATOM 257 N HIS A 15 101.567 -1.777 2.630 1.00 0.00 N ATOM 258 CA HIS A 15 102.412 -2.237 1.481 1.00 0.00 C ATOM 259 C HIS A 15 103.651 -3.021 1.954 1.00 0.00 C ATOM 260 O HIS A 15 104.633 -3.106 1.242 1.00 0.00 O ATOM 261 CB HIS A 15 102.895 -0.985 0.728 1.00 0.00 C ATOM 262 CG HIS A 15 102.329 -0.946 -0.661 1.00 0.00 C ATOM 263 ND1 HIS A 15 103.083 -1.281 -1.776 1.00 0.00 N ATOM 264 CD2 HIS A 15 101.092 -0.594 -1.133 1.00 0.00 C ATOM 265 CE1 HIS A 15 102.298 -1.123 -2.856 1.00 0.00 C ATOM 266 NE2 HIS A 15 101.076 -0.706 -2.519 1.00 0.00 N ATOM 0 H HIS A 15 102.071 -1.596 3.498 1.00 0.00 H new ATOM 0 HA HIS A 15 101.815 -2.896 0.851 1.00 0.00 H new ATOM 0 HB2 HIS A 15 102.595 -0.090 1.273 1.00 0.00 H new ATOM 0 HB3 HIS A 15 103.984 -0.981 0.682 1.00 0.00 H new ATOM 0 HD2 HIS A 15 100.258 -0.278 -0.523 1.00 0.00 H new ATOM 0 HE1 HIS A 15 102.617 -1.310 -3.871 1.00 0.00 H new ATOM 0 HE2 HIS A 15 100.295 -0.511 -3.146 1.00 0.00 H new ATOM 275 N MET A 16 103.636 -3.589 3.126 1.00 0.00 N ATOM 276 CA MET A 16 104.846 -4.347 3.589 1.00 0.00 C ATOM 277 C MET A 16 104.674 -5.837 3.306 1.00 0.00 C ATOM 278 O MET A 16 103.704 -6.448 3.705 1.00 0.00 O ATOM 279 CB MET A 16 105.073 -4.139 5.099 1.00 0.00 C ATOM 280 CG MET A 16 104.108 -5.010 5.916 1.00 0.00 C ATOM 281 SD MET A 16 104.806 -6.671 6.114 1.00 0.00 S ATOM 282 CE MET A 16 105.345 -6.497 7.834 1.00 0.00 C ATOM 0 H MET A 16 102.854 -3.566 3.780 1.00 0.00 H new ATOM 0 HA MET A 16 105.711 -3.970 3.044 1.00 0.00 H new ATOM 0 HB2 MET A 16 106.103 -4.389 5.355 1.00 0.00 H new ATOM 0 HB3 MET A 16 104.927 -3.089 5.353 1.00 0.00 H new ATOM 0 HG2 MET A 16 103.934 -4.559 6.893 1.00 0.00 H new ATOM 0 HG3 MET A 16 103.142 -5.068 5.415 1.00 0.00 H new ATOM 0 HE1 MET A 16 105.812 -7.425 8.165 1.00 0.00 H new ATOM 0 HE2 MET A 16 106.064 -5.682 7.909 1.00 0.00 H new ATOM 0 HE3 MET A 16 104.483 -6.280 8.465 1.00 0.00 H new ATOM 292 N GLN A 17 105.625 -6.432 2.634 1.00 0.00 N ATOM 293 CA GLN A 17 105.533 -7.888 2.346 1.00 0.00 C ATOM 294 C GLN A 17 106.529 -8.690 3.216 1.00 0.00 C ATOM 295 O GLN A 17 106.459 -9.902 3.249 1.00 0.00 O ATOM 296 CB GLN A 17 105.823 -8.151 0.868 1.00 0.00 C ATOM 297 CG GLN A 17 105.272 -9.529 0.489 1.00 0.00 C ATOM 298 CD GLN A 17 106.063 -10.093 -0.692 1.00 0.00 C ATOM 299 OE1 GLN A 17 106.422 -11.254 -0.698 1.00 0.00 O ATOM 300 NE2 GLN A 17 106.352 -9.316 -1.701 1.00 0.00 N ATOM 0 H GLN A 17 106.460 -5.970 2.274 1.00 0.00 H new ATOM 0 HA GLN A 17 104.521 -8.214 2.584 1.00 0.00 H new ATOM 0 HB2 GLN A 17 105.363 -7.379 0.251 1.00 0.00 H new ATOM 0 HB3 GLN A 17 106.896 -8.111 0.682 1.00 0.00 H new ATOM 0 HG2 GLN A 17 105.340 -10.205 1.341 1.00 0.00 H new ATOM 0 HG3 GLN A 17 104.217 -9.450 0.228 1.00 0.00 H new ATOM 0 HE21 GLN A 17 106.051 -8.341 -1.697 1.00 0.00 H new ATOM 0 HE22 GLN A 17 106.879 -9.684 -2.493 1.00 0.00 H new ATOM 309 N PRO A 18 107.445 -8.056 3.930 1.00 0.00 N ATOM 310 CA PRO A 18 108.408 -8.800 4.786 1.00 0.00 C ATOM 311 C PRO A 18 107.718 -9.938 5.542 1.00 0.00 C ATOM 312 O PRO A 18 108.321 -10.947 5.847 1.00 0.00 O ATOM 313 CB PRO A 18 108.928 -7.734 5.753 1.00 0.00 C ATOM 314 CG PRO A 18 108.853 -6.455 4.986 1.00 0.00 C ATOM 315 CD PRO A 18 107.674 -6.600 4.017 1.00 0.00 C ATOM 0 HA PRO A 18 109.202 -9.275 4.210 1.00 0.00 H new ATOM 0 HB2 PRO A 18 108.320 -7.690 6.657 1.00 0.00 H new ATOM 0 HB3 PRO A 18 109.950 -7.948 6.066 1.00 0.00 H new ATOM 0 HG2 PRO A 18 108.703 -5.609 5.656 1.00 0.00 H new ATOM 0 HG3 PRO A 18 109.781 -6.272 4.444 1.00 0.00 H new ATOM 0 HD2 PRO A 18 106.790 -6.080 4.387 1.00 0.00 H new ATOM 0 HD3 PRO A 18 107.908 -6.176 3.041 1.00 0.00 H new ATOM 323 N SER A 19 106.450 -9.782 5.832 1.00 0.00 N ATOM 324 CA SER A 19 105.703 -10.853 6.556 1.00 0.00 C ATOM 325 C SER A 19 104.414 -10.275 7.157 1.00 0.00 C ATOM 326 O SER A 19 104.221 -10.295 8.356 1.00 0.00 O ATOM 327 CB SER A 19 106.579 -11.426 7.679 1.00 0.00 C ATOM 328 OG SER A 19 107.448 -10.410 8.160 1.00 0.00 O ATOM 0 H SER A 19 105.900 -8.956 5.597 1.00 0.00 H new ATOM 0 HA SER A 19 105.448 -11.646 5.853 1.00 0.00 H new ATOM 0 HB2 SER A 19 105.953 -11.799 8.490 1.00 0.00 H new ATOM 0 HB3 SER A 19 107.159 -12.271 7.308 1.00 0.00 H new ATOM 0 HG SER A 19 108.008 -10.772 8.878 1.00 0.00 H new ATOM 334 N PRO A 20 103.530 -9.775 6.331 1.00 0.00 N ATOM 335 CA PRO A 20 102.239 -9.204 6.800 1.00 0.00 C ATOM 336 C PRO A 20 101.278 -10.314 7.235 1.00 0.00 C ATOM 337 O PRO A 20 101.691 -11.421 7.519 1.00 0.00 O ATOM 338 CB PRO A 20 101.699 -8.451 5.574 1.00 0.00 C ATOM 339 CG PRO A 20 102.319 -9.123 4.393 1.00 0.00 C ATOM 340 CD PRO A 20 103.662 -9.700 4.867 1.00 0.00 C ATOM 0 HA PRO A 20 102.355 -8.556 7.669 1.00 0.00 H new ATOM 0 HB2 PRO A 20 100.611 -8.502 5.529 1.00 0.00 H new ATOM 0 HB3 PRO A 20 101.967 -7.395 5.611 1.00 0.00 H new ATOM 0 HG2 PRO A 20 101.671 -9.913 4.013 1.00 0.00 H new ATOM 0 HG3 PRO A 20 102.468 -8.414 3.579 1.00 0.00 H new ATOM 0 HD2 PRO A 20 103.848 -10.683 4.434 1.00 0.00 H new ATOM 0 HD3 PRO A 20 104.495 -9.060 4.575 1.00 0.00 H new ATOM 348 N GLN A 21 100.007 -10.035 7.281 1.00 0.00 N ATOM 349 CA GLN A 21 99.025 -11.081 7.689 1.00 0.00 C ATOM 350 C GLN A 21 98.147 -11.417 6.484 1.00 0.00 C ATOM 351 O GLN A 21 96.944 -11.278 6.521 1.00 0.00 O ATOM 352 CB GLN A 21 98.159 -10.545 8.835 1.00 0.00 C ATOM 353 CG GLN A 21 98.866 -10.789 10.171 1.00 0.00 C ATOM 354 CD GLN A 21 98.139 -10.026 11.280 1.00 0.00 C ATOM 355 OE1 GLN A 21 98.760 -9.528 12.198 1.00 0.00 O ATOM 356 NE2 GLN A 21 96.840 -9.913 11.234 1.00 0.00 N ATOM 0 H GLN A 21 99.603 -9.127 7.054 1.00 0.00 H new ATOM 0 HA GLN A 21 99.544 -11.978 8.028 1.00 0.00 H new ATOM 0 HB2 GLN A 21 97.976 -9.479 8.698 1.00 0.00 H new ATOM 0 HB3 GLN A 21 97.187 -11.038 8.831 1.00 0.00 H new ATOM 0 HG2 GLN A 21 98.880 -11.855 10.398 1.00 0.00 H new ATOM 0 HG3 GLN A 21 99.904 -10.462 10.110 1.00 0.00 H new ATOM 0 HE21 GLN A 21 96.319 -10.331 10.463 1.00 0.00 H new ATOM 0 HE22 GLN A 21 96.346 -9.407 11.969 1.00 0.00 H new ATOM 365 N ALA A 22 98.750 -11.843 5.409 1.00 0.00 N ATOM 366 CA ALA A 22 97.962 -12.172 4.189 1.00 0.00 C ATOM 367 C ALA A 22 97.378 -10.888 3.624 1.00 0.00 C ATOM 368 O ALA A 22 96.741 -10.130 4.329 1.00 0.00 O ATOM 369 CB ALA A 22 96.809 -13.117 4.536 1.00 0.00 C ATOM 0 H ALA A 22 99.757 -11.978 5.323 1.00 0.00 H new ATOM 0 HA ALA A 22 98.617 -12.655 3.464 1.00 0.00 H new ATOM 0 HB1 ALA A 22 96.243 -13.347 3.633 1.00 0.00 H new ATOM 0 HB2 ALA A 22 97.209 -14.039 4.959 1.00 0.00 H new ATOM 0 HB3 ALA A 22 96.153 -12.639 5.263 1.00 0.00 H new ATOM 375 N CYS A 23 97.565 -10.635 2.364 1.00 0.00 N ATOM 376 CA CYS A 23 96.983 -9.398 1.792 1.00 0.00 C ATOM 377 C CYS A 23 95.529 -9.317 2.209 1.00 0.00 C ATOM 378 O CYS A 23 94.976 -8.255 2.384 1.00 0.00 O ATOM 379 CB CYS A 23 97.051 -9.443 0.286 1.00 0.00 C ATOM 380 SG CYS A 23 98.755 -9.780 -0.221 1.00 0.00 S ATOM 0 H CYS A 23 98.088 -11.222 1.714 1.00 0.00 H new ATOM 0 HA CYS A 23 97.540 -8.533 2.152 1.00 0.00 H new ATOM 0 HB2 CYS A 23 96.385 -10.216 -0.097 1.00 0.00 H new ATOM 0 HB3 CYS A 23 96.714 -8.495 -0.134 1.00 0.00 H new ATOM 385 N ASN A 24 94.903 -10.441 2.378 1.00 0.00 N ATOM 386 CA ASN A 24 93.485 -10.419 2.802 1.00 0.00 C ATOM 387 C ASN A 24 93.380 -9.546 4.052 1.00 0.00 C ATOM 388 O ASN A 24 92.616 -8.605 4.110 1.00 0.00 O ATOM 389 CB ASN A 24 93.011 -11.847 3.119 1.00 0.00 C ATOM 390 CG ASN A 24 93.942 -12.865 2.455 1.00 0.00 C ATOM 391 OD1 ASN A 24 94.530 -12.590 1.428 1.00 0.00 O ATOM 392 ND2 ASN A 24 94.102 -14.038 3.002 1.00 0.00 N ATOM 0 H ASN A 24 95.308 -11.367 2.242 1.00 0.00 H new ATOM 0 HA ASN A 24 92.858 -10.017 2.006 1.00 0.00 H new ATOM 0 HB2 ASN A 24 92.997 -12.004 4.198 1.00 0.00 H new ATOM 0 HB3 ASN A 24 91.991 -11.988 2.763 1.00 0.00 H new ATOM 0 HD21 ASN A 24 94.720 -14.723 2.568 1.00 0.00 H new ATOM 0 HD22 ASN A 24 93.609 -14.270 3.864 1.00 0.00 H new ATOM 399 N SER A 25 94.162 -9.850 5.048 1.00 0.00 N ATOM 400 CA SER A 25 94.123 -9.052 6.303 1.00 0.00 C ATOM 401 C SER A 25 94.989 -7.797 6.153 1.00 0.00 C ATOM 402 O SER A 25 94.678 -6.741 6.675 1.00 0.00 O ATOM 403 CB SER A 25 94.642 -9.914 7.455 1.00 0.00 C ATOM 404 OG SER A 25 95.847 -9.355 7.961 1.00 0.00 O ATOM 0 H SER A 25 94.830 -10.621 5.047 1.00 0.00 H new ATOM 0 HA SER A 25 93.099 -8.743 6.510 1.00 0.00 H new ATOM 0 HB2 SER A 25 93.895 -9.970 8.246 1.00 0.00 H new ATOM 0 HB3 SER A 25 94.818 -10.933 7.110 1.00 0.00 H new ATOM 0 HG SER A 25 95.730 -9.126 8.907 1.00 0.00 H new ATOM 410 N ALA A 26 96.066 -7.892 5.428 1.00 0.00 N ATOM 411 CA ALA A 26 96.929 -6.696 5.236 1.00 0.00 C ATOM 412 C ALA A 26 96.066 -5.593 4.663 1.00 0.00 C ATOM 413 O ALA A 26 96.192 -4.435 5.006 1.00 0.00 O ATOM 414 CB ALA A 26 98.046 -7.028 4.258 1.00 0.00 C ATOM 0 H ALA A 26 96.385 -8.741 4.962 1.00 0.00 H new ATOM 0 HA ALA A 26 97.371 -6.385 6.183 1.00 0.00 H new ATOM 0 HB1 ALA A 26 98.679 -6.152 4.117 1.00 0.00 H new ATOM 0 HB2 ALA A 26 98.645 -7.848 4.654 1.00 0.00 H new ATOM 0 HB3 ALA A 26 97.616 -7.323 3.301 1.00 0.00 H new ATOM 420 N MET A 27 95.178 -5.961 3.794 1.00 0.00 N ATOM 421 CA MET A 27 94.279 -4.965 3.186 1.00 0.00 C ATOM 422 C MET A 27 93.174 -4.643 4.185 1.00 0.00 C ATOM 423 O MET A 27 92.621 -3.561 4.187 1.00 0.00 O ATOM 424 CB MET A 27 93.683 -5.549 1.906 1.00 0.00 C ATOM 425 CG MET A 27 93.306 -4.412 0.957 1.00 0.00 C ATOM 426 SD MET A 27 91.777 -3.629 1.525 1.00 0.00 S ATOM 427 CE MET A 27 91.860 -2.164 0.466 1.00 0.00 C ATOM 0 H MET A 27 95.038 -6.921 3.478 1.00 0.00 H new ATOM 0 HA MET A 27 94.822 -4.053 2.938 1.00 0.00 H new ATOM 0 HB2 MET A 27 94.402 -6.214 1.427 1.00 0.00 H new ATOM 0 HB3 MET A 27 92.803 -6.148 2.142 1.00 0.00 H new ATOM 0 HG2 MET A 27 94.110 -3.677 0.917 1.00 0.00 H new ATOM 0 HG3 MET A 27 93.175 -4.797 -0.054 1.00 0.00 H new ATOM 0 HE1 MET A 27 91.214 -1.385 0.871 1.00 0.00 H new ATOM 0 HE2 MET A 27 92.887 -1.801 0.427 1.00 0.00 H new ATOM 0 HE3 MET A 27 91.529 -2.423 -0.540 1.00 0.00 H new ATOM 437 N LYS A 28 92.851 -5.572 5.045 1.00 0.00 N ATOM 438 CA LYS A 28 91.784 -5.296 6.049 1.00 0.00 C ATOM 439 C LYS A 28 92.175 -4.066 6.865 1.00 0.00 C ATOM 440 O LYS A 28 91.331 -3.336 7.343 1.00 0.00 O ATOM 441 CB LYS A 28 91.606 -6.492 6.990 1.00 0.00 C ATOM 442 CG LYS A 28 90.823 -7.606 6.284 1.00 0.00 C ATOM 443 CD LYS A 28 89.372 -7.167 6.019 1.00 0.00 C ATOM 444 CE LYS A 28 89.126 -7.094 4.506 1.00 0.00 C ATOM 445 NZ LYS A 28 87.691 -6.784 4.251 1.00 0.00 N ATOM 0 H LYS A 28 93.274 -6.499 5.096 1.00 0.00 H new ATOM 0 HA LYS A 28 90.844 -5.120 5.527 1.00 0.00 H new ATOM 0 HB2 LYS A 28 92.581 -6.865 7.305 1.00 0.00 H new ATOM 0 HB3 LYS A 28 91.078 -6.180 7.891 1.00 0.00 H new ATOM 0 HG2 LYS A 28 91.310 -7.859 5.342 1.00 0.00 H new ATOM 0 HG3 LYS A 28 90.829 -8.507 6.898 1.00 0.00 H new ATOM 0 HD2 LYS A 28 88.678 -7.872 6.477 1.00 0.00 H new ATOM 0 HD3 LYS A 28 89.186 -6.195 6.475 1.00 0.00 H new ATOM 0 HE2 LYS A 28 89.760 -6.327 4.060 1.00 0.00 H new ATOM 0 HE3 LYS A 28 89.394 -8.041 4.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 87.590 -6.358 3.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 87.133 -7.661 4.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 87.347 -6.117 4.971 1.00 0.00 H new ATOM 459 N ASN A 29 93.447 -3.815 7.021 1.00 0.00 N ATOM 460 CA ASN A 29 93.860 -2.612 7.797 1.00 0.00 C ATOM 461 C ASN A 29 93.674 -1.386 6.904 1.00 0.00 C ATOM 462 O ASN A 29 93.441 -0.279 7.357 1.00 0.00 O ATOM 463 CB ASN A 29 95.332 -2.741 8.197 1.00 0.00 C ATOM 464 CG ASN A 29 95.699 -1.614 9.165 1.00 0.00 C ATOM 465 OD1 ASN A 29 95.522 -0.452 8.857 1.00 0.00 O ATOM 466 ND2 ASN A 29 96.208 -1.910 10.330 1.00 0.00 N ATOM 0 H ASN A 29 94.209 -4.383 6.650 1.00 0.00 H new ATOM 0 HA ASN A 29 93.258 -2.516 8.700 1.00 0.00 H new ATOM 0 HB2 ASN A 29 95.509 -3.709 8.666 1.00 0.00 H new ATOM 0 HB3 ASN A 29 95.966 -2.695 7.311 1.00 0.00 H new ATOM 0 HD21 ASN A 29 96.457 -1.166 10.982 1.00 0.00 H new ATOM 0 HD22 ASN A 29 96.357 -2.885 10.589 1.00 0.00 H new ATOM 473 N ILE A 30 93.773 -1.592 5.627 1.00 0.00 N ATOM 474 CA ILE A 30 93.611 -0.476 4.663 1.00 0.00 C ATOM 475 C ILE A 30 92.126 -0.157 4.492 1.00 0.00 C ATOM 476 O ILE A 30 91.743 0.977 4.294 1.00 0.00 O ATOM 477 CB ILE A 30 94.216 -0.913 3.330 1.00 0.00 C ATOM 478 CG1 ILE A 30 95.601 -1.507 3.611 1.00 0.00 C ATOM 479 CG2 ILE A 30 94.330 0.286 2.372 1.00 0.00 C ATOM 480 CD1 ILE A 30 96.305 -1.837 2.294 1.00 0.00 C ATOM 0 H ILE A 30 93.962 -2.500 5.203 1.00 0.00 H new ATOM 0 HA ILE A 30 94.115 0.420 5.025 1.00 0.00 H new ATOM 0 HB ILE A 30 93.577 -1.657 2.854 1.00 0.00 H new ATOM 0 HG12 ILE A 30 96.199 -0.800 4.186 1.00 0.00 H new ATOM 0 HG13 ILE A 30 95.503 -2.408 4.217 1.00 0.00 H new ATOM 0 HG21 ILE A 30 94.763 -0.043 1.427 1.00 0.00 H new ATOM 0 HG22 ILE A 30 93.339 0.703 2.191 1.00 0.00 H new ATOM 0 HG23 ILE A 30 94.969 1.048 2.818 1.00 0.00 H new ATOM 0 HD11 ILE A 30 97.288 -2.259 2.503 1.00 0.00 H new ATOM 0 HD12 ILE A 30 95.711 -2.560 1.735 1.00 0.00 H new ATOM 0 HD13 ILE A 30 96.418 -0.927 1.704 1.00 0.00 H new ATOM 492 N ASN A 31 91.286 -1.151 4.580 1.00 0.00 N ATOM 493 CA ASN A 31 89.825 -0.909 4.434 1.00 0.00 C ATOM 494 C ASN A 31 89.289 -0.300 5.730 1.00 0.00 C ATOM 495 O ASN A 31 88.230 0.293 5.759 1.00 0.00 O ATOM 496 CB ASN A 31 89.120 -2.241 4.139 1.00 0.00 C ATOM 497 CG ASN A 31 88.622 -2.885 5.437 1.00 0.00 C ATOM 498 OD1 ASN A 31 89.262 -2.785 6.464 1.00 0.00 O ATOM 499 ND2 ASN A 31 87.497 -3.546 5.432 1.00 0.00 N ATOM 0 H ASN A 31 91.550 -2.122 4.747 1.00 0.00 H new ATOM 0 HA ASN A 31 89.637 -0.219 3.611 1.00 0.00 H new ATOM 0 HB2 ASN A 31 88.281 -2.073 3.464 1.00 0.00 H new ATOM 0 HB3 ASN A 31 89.807 -2.918 3.631 1.00 0.00 H new ATOM 0 HD21 ASN A 31 87.156 -3.978 6.290 1.00 0.00 H new ATOM 0 HD22 ASN A 31 86.959 -3.630 4.570 1.00 0.00 H new ATOM 506 N LYS A 32 90.018 -0.431 6.803 1.00 0.00 N ATOM 507 CA LYS A 32 89.542 0.146 8.087 1.00 0.00 C ATOM 508 C LYS A 32 89.906 1.629 8.127 1.00 0.00 C ATOM 509 O LYS A 32 89.180 2.443 8.664 1.00 0.00 O ATOM 510 CB LYS A 32 90.174 -0.620 9.268 1.00 0.00 C ATOM 511 CG LYS A 32 91.548 -0.040 9.650 1.00 0.00 C ATOM 512 CD LYS A 32 91.395 0.950 10.810 1.00 0.00 C ATOM 513 CE LYS A 32 92.766 1.513 11.186 1.00 0.00 C ATOM 514 NZ LYS A 32 93.325 2.271 10.031 1.00 0.00 N ATOM 0 H LYS A 32 90.918 -0.910 6.845 1.00 0.00 H new ATOM 0 HA LYS A 32 88.459 0.050 8.168 1.00 0.00 H new ATOM 0 HB2 LYS A 32 89.508 -0.576 10.129 1.00 0.00 H new ATOM 0 HB3 LYS A 32 90.283 -1.672 9.003 1.00 0.00 H new ATOM 0 HG2 LYS A 32 92.225 -0.845 9.935 1.00 0.00 H new ATOM 0 HG3 LYS A 32 91.992 0.461 8.790 1.00 0.00 H new ATOM 0 HD2 LYS A 32 90.724 1.760 10.524 1.00 0.00 H new ATOM 0 HD3 LYS A 32 90.946 0.452 11.670 1.00 0.00 H new ATOM 0 HE2 LYS A 32 92.677 2.166 12.054 1.00 0.00 H new ATOM 0 HE3 LYS A 32 93.440 0.703 11.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 94.209 2.739 10.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 93.519 1.616 9.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 92.638 2.988 9.721 1.00 0.00 H new ATOM 528 N HIS A 33 91.026 1.991 7.558 1.00 0.00 N ATOM 529 CA HIS A 33 91.427 3.426 7.564 1.00 0.00 C ATOM 530 C HIS A 33 90.837 4.138 6.335 1.00 0.00 C ATOM 531 O HIS A 33 90.728 5.348 6.309 1.00 0.00 O ATOM 532 CB HIS A 33 92.962 3.518 7.573 1.00 0.00 C ATOM 533 CG HIS A 33 93.463 4.189 6.324 1.00 0.00 C ATOM 534 ND1 HIS A 33 93.541 5.569 6.202 1.00 0.00 N ATOM 535 CD2 HIS A 33 93.921 3.680 5.137 1.00 0.00 C ATOM 536 CE1 HIS A 33 94.032 5.841 4.978 1.00 0.00 C ATOM 537 NE2 HIS A 33 94.280 4.724 4.292 1.00 0.00 N ATOM 0 H HIS A 33 91.676 1.358 7.092 1.00 0.00 H new ATOM 0 HA HIS A 33 91.040 3.919 8.456 1.00 0.00 H new ATOM 0 HB2 HIS A 33 93.292 4.076 8.449 1.00 0.00 H new ATOM 0 HB3 HIS A 33 93.390 2.519 7.652 1.00 0.00 H new ATOM 0 HD2 HIS A 33 93.992 2.630 4.895 1.00 0.00 H new ATOM 0 HE1 HIS A 33 94.203 6.838 4.599 1.00 0.00 H new ATOM 0 HE2 HIS A 33 94.654 4.651 3.346 1.00 0.00 H new ATOM 546 N THR A 34 90.449 3.402 5.322 1.00 0.00 N ATOM 547 CA THR A 34 89.859 4.050 4.107 1.00 0.00 C ATOM 548 C THR A 34 88.342 3.866 4.114 1.00 0.00 C ATOM 549 O THR A 34 87.637 4.438 3.306 1.00 0.00 O ATOM 550 CB THR A 34 90.423 3.402 2.836 1.00 0.00 C ATOM 551 OG1 THR A 34 90.215 1.999 2.892 1.00 0.00 O ATOM 552 CG2 THR A 34 91.921 3.694 2.712 1.00 0.00 C ATOM 0 H THR A 34 90.515 2.385 5.283 1.00 0.00 H new ATOM 0 HA THR A 34 90.110 5.111 4.121 1.00 0.00 H new ATOM 0 HB THR A 34 89.911 3.816 1.968 1.00 0.00 H new ATOM 0 HG1 THR A 34 90.896 1.590 3.466 1.00 0.00 H new ATOM 0 HG21 THR A 34 92.309 3.228 1.806 1.00 0.00 H new ATOM 0 HG22 THR A 34 92.079 4.771 2.662 1.00 0.00 H new ATOM 0 HG23 THR A 34 92.443 3.290 3.579 1.00 0.00 H new ATOM 560 N LYS A 35 87.832 3.066 5.009 1.00 0.00 N ATOM 561 CA LYS A 35 86.358 2.843 5.050 1.00 0.00 C ATOM 562 C LYS A 35 85.897 2.282 3.701 1.00 0.00 C ATOM 563 O LYS A 35 84.778 2.493 3.276 1.00 0.00 O ATOM 564 CB LYS A 35 85.643 4.169 5.326 1.00 0.00 C ATOM 565 CG LYS A 35 86.372 4.924 6.441 1.00 0.00 C ATOM 566 CD LYS A 35 86.520 4.017 7.664 1.00 0.00 C ATOM 567 CE LYS A 35 86.878 4.862 8.888 1.00 0.00 C ATOM 568 NZ LYS A 35 87.918 5.862 8.514 1.00 0.00 N ATOM 0 H LYS A 35 88.369 2.558 5.712 1.00 0.00 H new ATOM 0 HA LYS A 35 86.117 2.135 5.843 1.00 0.00 H new ATOM 0 HB2 LYS A 35 85.616 4.775 4.420 1.00 0.00 H new ATOM 0 HB3 LYS A 35 84.609 3.983 5.615 1.00 0.00 H new ATOM 0 HG2 LYS A 35 87.354 5.246 6.094 1.00 0.00 H new ATOM 0 HG3 LYS A 35 85.817 5.823 6.708 1.00 0.00 H new ATOM 0 HD2 LYS A 35 85.591 3.475 7.842 1.00 0.00 H new ATOM 0 HD3 LYS A 35 87.295 3.271 7.485 1.00 0.00 H new ATOM 0 HE2 LYS A 35 85.990 5.369 9.266 1.00 0.00 H new ATOM 0 HE3 LYS A 35 87.245 4.222 9.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 88.390 6.209 9.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 88.620 5.416 7.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 87.471 6.659 8.019 1.00 0.00 H new ATOM 582 N ARG A 36 86.758 1.570 3.026 1.00 0.00 N ATOM 583 CA ARG A 36 86.393 0.989 1.702 1.00 0.00 C ATOM 584 C ARG A 36 87.526 0.069 1.245 1.00 0.00 C ATOM 585 O ARG A 36 88.666 0.262 1.614 1.00 0.00 O ATOM 586 CB ARG A 36 86.204 2.120 0.685 1.00 0.00 C ATOM 587 CG ARG A 36 86.553 1.623 -0.724 1.00 0.00 C ATOM 588 CD ARG A 36 85.504 0.617 -1.209 1.00 0.00 C ATOM 589 NE ARG A 36 84.796 1.176 -2.396 1.00 0.00 N ATOM 590 CZ ARG A 36 84.118 0.385 -3.183 1.00 0.00 C ATOM 591 NH1 ARG A 36 84.060 -0.894 -2.930 1.00 0.00 N ATOM 592 NH2 ARG A 36 83.499 0.874 -4.222 1.00 0.00 N ATOM 0 H ARG A 36 87.707 1.364 3.338 1.00 0.00 H new ATOM 0 HA ARG A 36 85.465 0.423 1.782 1.00 0.00 H new ATOM 0 HB2 ARG A 36 85.173 2.474 0.710 1.00 0.00 H new ATOM 0 HB3 ARG A 36 86.838 2.967 0.948 1.00 0.00 H new ATOM 0 HG2 ARG A 36 86.603 2.467 -1.412 1.00 0.00 H new ATOM 0 HG3 ARG A 36 87.538 1.157 -0.719 1.00 0.00 H new ATOM 0 HD2 ARG A 36 85.982 -0.328 -1.468 1.00 0.00 H new ATOM 0 HD3 ARG A 36 84.791 0.405 -0.412 1.00 0.00 H new ATOM 0 HE ARG A 36 84.841 2.176 -2.593 1.00 0.00 H new ATOM 0 HH11 ARG A 36 84.544 -1.276 -2.117 1.00 0.00 H new ATOM 0 HH12 ARG A 36 83.530 -1.512 -3.545 1.00 0.00 H new ATOM 0 HH21 ARG A 36 83.545 1.874 -4.419 1.00 0.00 H new ATOM 0 HH22 ARG A 36 82.969 0.257 -4.837 1.00 0.00 H new ATOM 606 N CYS A 37 87.242 -0.922 0.437 1.00 0.00 N ATOM 607 CA CYS A 37 88.336 -1.813 -0.023 1.00 0.00 C ATOM 608 C CYS A 37 88.923 -1.296 -1.337 1.00 0.00 C ATOM 609 O CYS A 37 88.386 -1.520 -2.403 1.00 0.00 O ATOM 610 CB CYS A 37 87.796 -3.224 -0.217 1.00 0.00 C ATOM 611 SG CYS A 37 88.204 -4.207 1.247 1.00 0.00 S ATOM 0 H CYS A 37 86.312 -1.146 0.083 1.00 0.00 H new ATOM 0 HA CYS A 37 89.124 -1.827 0.730 1.00 0.00 H new ATOM 0 HB2 CYS A 37 86.717 -3.198 -0.366 1.00 0.00 H new ATOM 0 HB3 CYS A 37 88.231 -3.676 -1.109 1.00 0.00 H new ATOM 616 N LYS A 38 90.025 -0.607 -1.246 1.00 0.00 N ATOM 617 CA LYS A 38 90.707 -0.054 -2.455 1.00 0.00 C ATOM 618 C LYS A 38 90.533 -0.981 -3.666 1.00 0.00 C ATOM 619 O LYS A 38 90.689 -0.555 -4.793 1.00 0.00 O ATOM 620 CB LYS A 38 92.205 0.093 -2.153 1.00 0.00 C ATOM 621 CG LYS A 38 92.418 1.198 -1.110 1.00 0.00 C ATOM 622 CD LYS A 38 92.466 2.569 -1.798 1.00 0.00 C ATOM 623 CE LYS A 38 93.900 2.878 -2.238 1.00 0.00 C ATOM 624 NZ LYS A 38 93.886 3.987 -3.233 1.00 0.00 N ATOM 0 H LYS A 38 90.494 -0.398 -0.365 1.00 0.00 H new ATOM 0 HA LYS A 38 90.261 0.911 -2.693 1.00 0.00 H new ATOM 0 HB2 LYS A 38 92.605 -0.851 -1.783 1.00 0.00 H new ATOM 0 HB3 LYS A 38 92.748 0.333 -3.067 1.00 0.00 H new ATOM 0 HG2 LYS A 38 91.611 1.178 -0.377 1.00 0.00 H new ATOM 0 HG3 LYS A 38 93.346 1.022 -0.567 1.00 0.00 H new ATOM 0 HD2 LYS A 38 91.801 2.576 -2.662 1.00 0.00 H new ATOM 0 HD3 LYS A 38 92.111 3.341 -1.116 1.00 0.00 H new ATOM 0 HE2 LYS A 38 94.504 3.157 -1.375 1.00 0.00 H new ATOM 0 HE3 LYS A 38 94.357 1.990 -2.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 94.860 4.197 -3.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 93.323 3.704 -4.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 93.466 4.835 -2.802 1.00 0.00 H new ATOM 638 N ASP A 39 90.220 -2.238 -3.456 1.00 0.00 N ATOM 639 CA ASP A 39 90.045 -3.171 -4.608 1.00 0.00 C ATOM 640 C ASP A 39 91.415 -3.689 -5.056 1.00 0.00 C ATOM 641 O ASP A 39 91.525 -4.747 -5.641 1.00 0.00 O ATOM 642 CB ASP A 39 89.357 -2.450 -5.778 1.00 0.00 C ATOM 643 CG ASP A 39 88.515 -3.450 -6.575 1.00 0.00 C ATOM 644 OD1 ASP A 39 87.406 -3.732 -6.151 1.00 0.00 O ATOM 645 OD2 ASP A 39 88.993 -3.916 -7.596 1.00 0.00 O ATOM 0 H ASP A 39 90.079 -2.655 -2.536 1.00 0.00 H new ATOM 0 HA ASP A 39 89.420 -4.008 -4.296 1.00 0.00 H new ATOM 0 HB2 ASP A 39 88.725 -1.646 -5.401 1.00 0.00 H new ATOM 0 HB3 ASP A 39 90.104 -1.991 -6.425 1.00 0.00 H new ATOM 650 N LEU A 40 92.461 -2.954 -4.787 1.00 0.00 N ATOM 651 CA LEU A 40 93.820 -3.411 -5.201 1.00 0.00 C ATOM 652 C LEU A 40 94.861 -2.888 -4.203 1.00 0.00 C ATOM 653 O LEU A 40 94.818 -1.750 -3.782 1.00 0.00 O ATOM 654 CB LEU A 40 94.129 -2.868 -6.611 1.00 0.00 C ATOM 655 CG LEU A 40 94.513 -4.002 -7.578 1.00 0.00 C ATOM 656 CD1 LEU A 40 95.773 -4.733 -7.086 1.00 0.00 C ATOM 657 CD2 LEU A 40 93.347 -4.989 -7.703 1.00 0.00 C ATOM 0 H LEU A 40 92.434 -2.059 -4.299 1.00 0.00 H new ATOM 0 HA LEU A 40 93.855 -4.500 -5.216 1.00 0.00 H new ATOM 0 HB2 LEU A 40 93.258 -2.338 -6.997 1.00 0.00 H new ATOM 0 HB3 LEU A 40 94.943 -2.145 -6.554 1.00 0.00 H new ATOM 0 HG LEU A 40 94.728 -3.571 -8.556 1.00 0.00 H new ATOM 0 HD11 LEU A 40 96.027 -5.531 -7.784 1.00 0.00 H new ATOM 0 HD12 LEU A 40 96.602 -4.028 -7.024 1.00 0.00 H new ATOM 0 HD13 LEU A 40 95.585 -5.159 -6.101 1.00 0.00 H new ATOM 0 HD21 LEU A 40 93.621 -5.791 -8.388 1.00 0.00 H new ATOM 0 HD22 LEU A 40 93.120 -5.410 -6.724 1.00 0.00 H new ATOM 0 HD23 LEU A 40 92.469 -4.469 -8.086 1.00 0.00 H new ATOM 669 N ASN A 41 95.800 -3.716 -3.829 1.00 0.00 N ATOM 670 CA ASN A 41 96.852 -3.280 -2.866 1.00 0.00 C ATOM 671 C ASN A 41 98.136 -4.055 -3.143 1.00 0.00 C ATOM 672 O ASN A 41 98.156 -5.268 -3.147 1.00 0.00 O ATOM 673 CB ASN A 41 96.383 -3.546 -1.438 1.00 0.00 C ATOM 674 CG ASN A 41 95.160 -2.675 -1.150 1.00 0.00 C ATOM 675 OD1 ASN A 41 94.038 -3.104 -1.333 1.00 0.00 O ATOM 676 ND2 ASN A 41 95.329 -1.458 -0.712 1.00 0.00 N ATOM 0 H ASN A 41 95.884 -4.680 -4.151 1.00 0.00 H new ATOM 0 HA ASN A 41 97.039 -2.213 -2.984 1.00 0.00 H new ATOM 0 HB2 ASN A 41 96.134 -4.600 -1.313 1.00 0.00 H new ATOM 0 HB3 ASN A 41 97.181 -3.321 -0.731 1.00 0.00 H new ATOM 0 HD21 ASN A 41 94.519 -0.867 -0.523 1.00 0.00 H new ATOM 0 HD22 ASN A 41 96.271 -1.097 -0.558 1.00 0.00 H new ATOM 683 N THR A 42 99.209 -3.358 -3.384 1.00 0.00 N ATOM 684 CA THR A 42 100.501 -4.039 -3.672 1.00 0.00 C ATOM 685 C THR A 42 101.396 -3.968 -2.437 1.00 0.00 C ATOM 686 O THR A 42 101.280 -3.079 -1.622 1.00 0.00 O ATOM 687 CB THR A 42 101.192 -3.343 -4.856 1.00 0.00 C ATOM 688 OG1 THR A 42 100.727 -2.004 -4.945 1.00 0.00 O ATOM 689 CG2 THR A 42 100.878 -4.074 -6.167 1.00 0.00 C ATOM 0 H THR A 42 99.247 -2.339 -3.394 1.00 0.00 H new ATOM 0 HA THR A 42 100.318 -5.083 -3.925 1.00 0.00 H new ATOM 0 HB THR A 42 102.270 -3.358 -4.694 1.00 0.00 H new ATOM 0 HG1 THR A 42 101.166 -1.555 -5.697 1.00 0.00 H new ATOM 0 HG21 THR A 42 101.375 -3.567 -6.994 1.00 0.00 H new ATOM 0 HG22 THR A 42 101.234 -5.102 -6.104 1.00 0.00 H new ATOM 0 HG23 THR A 42 99.801 -4.073 -6.335 1.00 0.00 H new ATOM 697 N PHE A 43 102.284 -4.907 -2.296 1.00 0.00 N ATOM 698 CA PHE A 43 103.202 -4.914 -1.124 1.00 0.00 C ATOM 699 C PHE A 43 104.618 -5.209 -1.633 1.00 0.00 C ATOM 700 O PHE A 43 104.786 -5.789 -2.682 1.00 0.00 O ATOM 701 CB PHE A 43 102.756 -6.000 -0.135 1.00 0.00 C ATOM 702 CG PHE A 43 101.397 -5.650 0.444 1.00 0.00 C ATOM 703 CD1 PHE A 43 100.249 -5.715 -0.360 1.00 0.00 C ATOM 704 CD2 PHE A 43 101.281 -5.265 1.788 1.00 0.00 C ATOM 705 CE1 PHE A 43 98.996 -5.396 0.177 1.00 0.00 C ATOM 706 CE2 PHE A 43 100.026 -4.946 2.323 1.00 0.00 C ATOM 707 CZ PHE A 43 98.885 -5.012 1.517 1.00 0.00 C ATOM 0 H PHE A 43 102.416 -5.679 -2.949 1.00 0.00 H new ATOM 0 HA PHE A 43 103.184 -3.951 -0.613 1.00 0.00 H new ATOM 0 HB2 PHE A 43 102.708 -6.965 -0.640 1.00 0.00 H new ATOM 0 HB3 PHE A 43 103.488 -6.096 0.667 1.00 0.00 H new ATOM 0 HD1 PHE A 43 100.332 -6.012 -1.395 1.00 0.00 H new ATOM 0 HD2 PHE A 43 102.161 -5.214 2.412 1.00 0.00 H new ATOM 0 HE1 PHE A 43 98.114 -5.447 -0.444 1.00 0.00 H new ATOM 0 HE2 PHE A 43 99.940 -4.649 3.358 1.00 0.00 H new ATOM 0 HZ PHE A 43 97.918 -4.766 1.930 1.00 0.00 H new ATOM 717 N LEU A 44 105.636 -4.813 -0.913 1.00 0.00 N ATOM 718 CA LEU A 44 107.036 -5.078 -1.376 1.00 0.00 C ATOM 719 C LEU A 44 107.739 -5.947 -0.328 1.00 0.00 C ATOM 720 O LEU A 44 107.397 -5.902 0.836 1.00 0.00 O ATOM 721 CB LEU A 44 107.780 -3.747 -1.564 1.00 0.00 C ATOM 722 CG LEU A 44 106.995 -2.848 -2.529 1.00 0.00 C ATOM 723 CD1 LEU A 44 107.759 -1.540 -2.767 1.00 0.00 C ATOM 724 CD2 LEU A 44 106.816 -3.570 -3.863 1.00 0.00 C ATOM 0 H LEU A 44 105.561 -4.318 -0.025 1.00 0.00 H new ATOM 0 HA LEU A 44 107.027 -5.601 -2.332 1.00 0.00 H new ATOM 0 HB2 LEU A 44 107.900 -3.247 -0.603 1.00 0.00 H new ATOM 0 HB3 LEU A 44 108.781 -3.931 -1.955 1.00 0.00 H new ATOM 0 HG LEU A 44 106.022 -2.624 -2.093 1.00 0.00 H new ATOM 0 HD11 LEU A 44 107.194 -0.909 -3.453 1.00 0.00 H new ATOM 0 HD12 LEU A 44 107.891 -1.018 -1.819 1.00 0.00 H new ATOM 0 HD13 LEU A 44 108.735 -1.762 -3.198 1.00 0.00 H new ATOM 0 HD21 LEU A 44 106.259 -2.933 -4.550 1.00 0.00 H new ATOM 0 HD22 LEU A 44 107.794 -3.795 -4.289 1.00 0.00 H new ATOM 0 HD23 LEU A 44 106.268 -4.498 -3.704 1.00 0.00 H new ATOM 736 N HIS A 45 108.703 -6.755 -0.718 1.00 0.00 N ATOM 737 CA HIS A 45 109.384 -7.632 0.296 1.00 0.00 C ATOM 738 C HIS A 45 110.809 -7.163 0.544 1.00 0.00 C ATOM 739 O HIS A 45 111.767 -7.830 0.209 1.00 0.00 O ATOM 740 CB HIS A 45 109.410 -9.086 -0.186 1.00 0.00 C ATOM 741 CG HIS A 45 109.553 -10.006 0.997 1.00 0.00 C ATOM 742 ND1 HIS A 45 108.477 -10.703 1.527 1.00 0.00 N ATOM 743 CD2 HIS A 45 110.640 -10.354 1.762 1.00 0.00 C ATOM 744 CE1 HIS A 45 108.934 -11.428 2.565 1.00 0.00 C ATOM 745 NE2 HIS A 45 110.244 -11.250 2.748 1.00 0.00 N ATOM 0 H HIS A 45 109.043 -6.845 -1.676 1.00 0.00 H new ATOM 0 HA HIS A 45 108.819 -7.567 1.226 1.00 0.00 H new ATOM 0 HB2 HIS A 45 108.494 -9.316 -0.730 1.00 0.00 H new ATOM 0 HB3 HIS A 45 110.238 -9.236 -0.879 1.00 0.00 H new ATOM 0 HD2 HIS A 45 111.646 -9.988 1.619 1.00 0.00 H new ATOM 0 HE1 HIS A 45 108.318 -12.073 3.174 1.00 0.00 H new ATOM 0 HE2 HIS A 45 110.831 -11.681 3.462 1.00 0.00 H new ATOM 754 N GLU A 46 110.952 -6.029 1.149 1.00 0.00 N ATOM 755 CA GLU A 46 112.305 -5.512 1.452 1.00 0.00 C ATOM 756 C GLU A 46 112.209 -4.687 2.743 1.00 0.00 C ATOM 757 O GLU A 46 111.347 -3.844 2.868 1.00 0.00 O ATOM 758 CB GLU A 46 112.773 -4.647 0.278 1.00 0.00 C ATOM 759 CG GLU A 46 114.215 -4.196 0.507 1.00 0.00 C ATOM 760 CD GLU A 46 115.174 -5.332 0.141 1.00 0.00 C ATOM 761 OE1 GLU A 46 114.697 -6.430 -0.095 1.00 0.00 O ATOM 762 OE2 GLU A 46 116.368 -5.084 0.102 1.00 0.00 O ATOM 0 H GLU A 46 110.183 -5.431 1.450 1.00 0.00 H new ATOM 0 HA GLU A 46 113.024 -6.319 1.592 1.00 0.00 H new ATOM 0 HB2 GLU A 46 112.703 -5.212 -0.652 1.00 0.00 H new ATOM 0 HB3 GLU A 46 112.123 -3.778 0.173 1.00 0.00 H new ATOM 0 HG2 GLU A 46 114.431 -3.315 -0.098 1.00 0.00 H new ATOM 0 HG3 GLU A 46 114.356 -3.910 1.549 1.00 0.00 H new ATOM 769 N PRO A 47 113.052 -4.933 3.718 1.00 0.00 N ATOM 770 CA PRO A 47 112.997 -4.184 5.004 1.00 0.00 C ATOM 771 C PRO A 47 112.963 -2.670 4.794 1.00 0.00 C ATOM 772 O PRO A 47 113.794 -2.108 4.109 1.00 0.00 O ATOM 773 CB PRO A 47 114.275 -4.582 5.738 1.00 0.00 C ATOM 774 CG PRO A 47 114.701 -5.885 5.137 1.00 0.00 C ATOM 775 CD PRO A 47 114.131 -5.937 3.714 1.00 0.00 C ATOM 0 HA PRO A 47 112.090 -4.425 5.558 1.00 0.00 H new ATOM 0 HB2 PRO A 47 115.048 -3.824 5.616 1.00 0.00 H new ATOM 0 HB3 PRO A 47 114.095 -4.685 6.808 1.00 0.00 H new ATOM 0 HG2 PRO A 47 115.788 -5.963 5.119 1.00 0.00 H new ATOM 0 HG3 PRO A 47 114.331 -6.721 5.730 1.00 0.00 H new ATOM 0 HD2 PRO A 47 114.893 -5.700 2.971 1.00 0.00 H new ATOM 0 HD3 PRO A 47 113.750 -6.930 3.474 1.00 0.00 H new ATOM 783 N PHE A 48 112.007 -2.013 5.388 1.00 0.00 N ATOM 784 CA PHE A 48 111.896 -0.532 5.247 1.00 0.00 C ATOM 785 C PHE A 48 113.277 0.104 5.335 1.00 0.00 C ATOM 786 O PHE A 48 113.474 1.209 4.904 1.00 0.00 O ATOM 787 CB PHE A 48 110.992 -0.001 6.350 1.00 0.00 C ATOM 788 CG PHE A 48 109.942 -1.054 6.622 1.00 0.00 C ATOM 789 CD1 PHE A 48 109.218 -1.594 5.550 1.00 0.00 C ATOM 790 CD2 PHE A 48 109.707 -1.511 7.924 1.00 0.00 C ATOM 791 CE1 PHE A 48 108.260 -2.585 5.778 1.00 0.00 C ATOM 792 CE2 PHE A 48 108.747 -2.508 8.152 1.00 0.00 C ATOM 793 CZ PHE A 48 108.025 -3.043 7.079 1.00 0.00 C ATOM 0 H PHE A 48 111.289 -2.442 5.972 1.00 0.00 H new ATOM 0 HA PHE A 48 111.468 -0.282 4.276 1.00 0.00 H new ATOM 0 HB2 PHE A 48 111.568 0.208 7.251 1.00 0.00 H new ATOM 0 HB3 PHE A 48 110.526 0.936 6.046 1.00 0.00 H new ATOM 0 HD1 PHE A 48 109.401 -1.243 4.545 1.00 0.00 H new ATOM 0 HD2 PHE A 48 110.264 -1.097 8.752 1.00 0.00 H new ATOM 0 HE1 PHE A 48 107.701 -2.997 4.951 1.00 0.00 H new ATOM 0 HE2 PHE A 48 108.565 -2.863 9.156 1.00 0.00 H new ATOM 0 HZ PHE A 48 107.286 -3.810 7.255 1.00 0.00 H new ATOM 803 N SER A 49 114.235 -0.588 5.880 1.00 0.00 N ATOM 804 CA SER A 49 115.604 -0.016 5.966 1.00 0.00 C ATOM 805 C SER A 49 116.247 -0.090 4.579 1.00 0.00 C ATOM 806 O SER A 49 116.939 0.816 4.148 1.00 0.00 O ATOM 807 CB SER A 49 116.436 -0.824 6.963 1.00 0.00 C ATOM 808 OG SER A 49 115.828 -0.757 8.246 1.00 0.00 O ATOM 0 H SER A 49 114.129 -1.525 6.270 1.00 0.00 H new ATOM 0 HA SER A 49 115.558 1.020 6.302 1.00 0.00 H new ATOM 0 HB2 SER A 49 116.509 -1.861 6.636 1.00 0.00 H new ATOM 0 HB3 SER A 49 117.452 -0.432 7.008 1.00 0.00 H new ATOM 0 HG SER A 49 116.358 -1.275 8.887 1.00 0.00 H new ATOM 814 N SER A 50 116.001 -1.156 3.861 1.00 0.00 N ATOM 815 CA SER A 50 116.580 -1.274 2.498 1.00 0.00 C ATOM 816 C SER A 50 115.665 -0.524 1.536 1.00 0.00 C ATOM 817 O SER A 50 116.118 0.202 0.679 1.00 0.00 O ATOM 818 CB SER A 50 116.688 -2.750 2.106 1.00 0.00 C ATOM 819 OG SER A 50 118.043 -3.164 2.223 1.00 0.00 O ATOM 0 H SER A 50 115.427 -1.944 4.161 1.00 0.00 H new ATOM 0 HA SER A 50 117.582 -0.846 2.465 1.00 0.00 H new ATOM 0 HB2 SER A 50 116.052 -3.358 2.750 1.00 0.00 H new ATOM 0 HB3 SER A 50 116.338 -2.894 1.084 1.00 0.00 H new ATOM 0 HG SER A 50 118.119 -4.109 1.975 1.00 0.00 H new ATOM 825 N VAL A 51 114.376 -0.661 1.699 1.00 0.00 N ATOM 826 CA VAL A 51 113.436 0.088 0.820 1.00 0.00 C ATOM 827 C VAL A 51 113.643 1.567 1.126 1.00 0.00 C ATOM 828 O VAL A 51 113.500 2.427 0.281 1.00 0.00 O ATOM 829 CB VAL A 51 111.986 -0.304 1.140 1.00 0.00 C ATOM 830 CG1 VAL A 51 111.157 -0.330 -0.148 1.00 0.00 C ATOM 831 CG2 VAL A 51 111.961 -1.691 1.784 1.00 0.00 C ATOM 0 H VAL A 51 113.936 -1.257 2.400 1.00 0.00 H new ATOM 0 HA VAL A 51 113.622 -0.135 -0.231 1.00 0.00 H new ATOM 0 HB VAL A 51 111.563 0.428 1.828 1.00 0.00 H new ATOM 0 HG11 VAL A 51 110.130 -0.609 0.086 1.00 0.00 H new ATOM 0 HG12 VAL A 51 111.169 0.658 -0.608 1.00 0.00 H new ATOM 0 HG13 VAL A 51 111.582 -1.058 -0.839 1.00 0.00 H new ATOM 0 HG21 VAL A 51 110.932 -1.968 2.011 1.00 0.00 H new ATOM 0 HG22 VAL A 51 112.390 -2.419 1.096 1.00 0.00 H new ATOM 0 HG23 VAL A 51 112.544 -1.675 2.705 1.00 0.00 H new ATOM 841 N ALA A 52 114.000 1.850 2.352 1.00 0.00 N ATOM 842 CA ALA A 52 114.249 3.252 2.764 1.00 0.00 C ATOM 843 C ALA A 52 115.348 3.816 1.866 1.00 0.00 C ATOM 844 O ALA A 52 115.187 4.839 1.231 1.00 0.00 O ATOM 845 CB ALA A 52 114.712 3.282 4.227 1.00 0.00 C ATOM 0 H ALA A 52 114.129 1.157 3.089 1.00 0.00 H new ATOM 0 HA ALA A 52 113.340 3.846 2.671 1.00 0.00 H new ATOM 0 HB1 ALA A 52 114.895 4.313 4.530 1.00 0.00 H new ATOM 0 HB2 ALA A 52 113.939 2.849 4.862 1.00 0.00 H new ATOM 0 HB3 ALA A 52 115.631 2.705 4.330 1.00 0.00 H new ATOM 851 N ALA A 53 116.464 3.137 1.797 1.00 0.00 N ATOM 852 CA ALA A 53 117.574 3.616 0.926 1.00 0.00 C ATOM 853 C ALA A 53 117.176 3.430 -0.539 1.00 0.00 C ATOM 854 O ALA A 53 117.594 4.172 -1.404 1.00 0.00 O ATOM 855 CB ALA A 53 118.841 2.812 1.221 1.00 0.00 C ATOM 0 H ALA A 53 116.653 2.273 2.306 1.00 0.00 H new ATOM 0 HA ALA A 53 117.766 4.671 1.122 1.00 0.00 H new ATOM 0 HB1 ALA A 53 119.652 3.164 0.583 1.00 0.00 H new ATOM 0 HB2 ALA A 53 119.119 2.942 2.267 1.00 0.00 H new ATOM 0 HB3 ALA A 53 118.656 1.756 1.024 1.00 0.00 H new ATOM 861 N THR A 54 116.362 2.449 -0.822 1.00 0.00 N ATOM 862 CA THR A 54 115.929 2.229 -2.228 1.00 0.00 C ATOM 863 C THR A 54 115.224 3.491 -2.712 1.00 0.00 C ATOM 864 O THR A 54 115.307 3.864 -3.865 1.00 0.00 O ATOM 865 CB THR A 54 114.959 1.039 -2.294 1.00 0.00 C ATOM 866 OG1 THR A 54 115.498 -0.046 -1.553 1.00 0.00 O ATOM 867 CG2 THR A 54 114.760 0.608 -3.747 1.00 0.00 C ATOM 0 H THR A 54 115.980 1.793 -0.141 1.00 0.00 H new ATOM 0 HA THR A 54 116.792 2.012 -2.857 1.00 0.00 H new ATOM 0 HB THR A 54 113.998 1.335 -1.873 1.00 0.00 H new ATOM 0 HG1 THR A 54 116.114 0.297 -0.872 1.00 0.00 H new ATOM 0 HG21 THR A 54 114.071 -0.236 -3.785 1.00 0.00 H new ATOM 0 HG22 THR A 54 114.348 1.439 -4.320 1.00 0.00 H new ATOM 0 HG23 THR A 54 115.719 0.313 -4.174 1.00 0.00 H new ATOM 875 N CYS A 55 114.540 4.163 -1.829 1.00 0.00 N ATOM 876 CA CYS A 55 113.836 5.404 -2.231 1.00 0.00 C ATOM 877 C CYS A 55 114.858 6.529 -2.398 1.00 0.00 C ATOM 878 O CYS A 55 114.527 7.695 -2.323 1.00 0.00 O ATOM 879 CB CYS A 55 112.824 5.777 -1.150 1.00 0.00 C ATOM 880 SG CYS A 55 111.574 6.872 -1.853 1.00 0.00 S ATOM 0 H CYS A 55 114.440 3.904 -0.848 1.00 0.00 H new ATOM 0 HA CYS A 55 113.314 5.249 -3.175 1.00 0.00 H new ATOM 0 HB2 CYS A 55 112.353 4.878 -0.751 1.00 0.00 H new ATOM 0 HB3 CYS A 55 113.328 6.269 -0.318 1.00 0.00 H new ATOM 885 N GLN A 56 116.103 6.185 -2.612 1.00 0.00 N ATOM 886 CA GLN A 56 117.157 7.229 -2.774 1.00 0.00 C ATOM 887 C GLN A 56 117.697 7.223 -4.211 1.00 0.00 C ATOM 888 O GLN A 56 118.468 8.082 -4.588 1.00 0.00 O ATOM 889 CB GLN A 56 118.304 6.939 -1.802 1.00 0.00 C ATOM 890 CG GLN A 56 119.193 8.178 -1.668 1.00 0.00 C ATOM 891 CD GLN A 56 120.243 7.938 -0.582 1.00 0.00 C ATOM 892 OE1 GLN A 56 119.995 8.180 0.582 1.00 0.00 O ATOM 893 NE2 GLN A 56 121.414 7.470 -0.917 1.00 0.00 N ATOM 0 H GLN A 56 116.434 5.223 -2.681 1.00 0.00 H new ATOM 0 HA GLN A 56 116.725 8.207 -2.563 1.00 0.00 H new ATOM 0 HB2 GLN A 56 117.905 6.659 -0.827 1.00 0.00 H new ATOM 0 HB3 GLN A 56 118.892 6.094 -2.160 1.00 0.00 H new ATOM 0 HG2 GLN A 56 119.681 8.393 -2.619 1.00 0.00 H new ATOM 0 HG3 GLN A 56 118.587 9.048 -1.416 1.00 0.00 H new ATOM 0 HE21 GLN A 56 121.621 7.267 -1.895 1.00 0.00 H new ATOM 0 HE22 GLN A 56 122.122 7.307 -0.201 1.00 0.00 H new ATOM 902 N THR A 57 117.310 6.269 -5.020 1.00 0.00 N ATOM 903 CA THR A 57 117.831 6.248 -6.424 1.00 0.00 C ATOM 904 C THR A 57 117.394 7.537 -7.138 1.00 0.00 C ATOM 905 O THR A 57 116.710 8.362 -6.565 1.00 0.00 O ATOM 906 CB THR A 57 117.297 5.015 -7.177 1.00 0.00 C ATOM 907 OG1 THR A 57 116.244 5.410 -8.046 1.00 0.00 O ATOM 908 CG2 THR A 57 116.775 3.964 -6.193 1.00 0.00 C ATOM 0 H THR A 57 116.667 5.515 -4.777 1.00 0.00 H new ATOM 0 HA THR A 57 118.919 6.190 -6.406 1.00 0.00 H new ATOM 0 HB THR A 57 118.113 4.580 -7.754 1.00 0.00 H new ATOM 0 HG1 THR A 57 115.470 4.825 -7.909 1.00 0.00 H new ATOM 0 HG21 THR A 57 116.402 3.101 -6.746 1.00 0.00 H new ATOM 0 HG22 THR A 57 117.584 3.650 -5.533 1.00 0.00 H new ATOM 0 HG23 THR A 57 115.967 4.391 -5.599 1.00 0.00 H new ATOM 916 N PRO A 58 117.794 7.721 -8.375 1.00 0.00 N ATOM 917 CA PRO A 58 117.444 8.945 -9.163 1.00 0.00 C ATOM 918 C PRO A 58 115.943 9.253 -9.133 1.00 0.00 C ATOM 919 O PRO A 58 115.123 8.448 -9.527 1.00 0.00 O ATOM 920 CB PRO A 58 117.904 8.606 -10.584 1.00 0.00 C ATOM 921 CG PRO A 58 118.996 7.606 -10.403 1.00 0.00 C ATOM 922 CD PRO A 58 118.620 6.790 -9.165 1.00 0.00 C ATOM 0 HA PRO A 58 117.919 9.838 -8.756 1.00 0.00 H new ATOM 0 HB2 PRO A 58 117.087 8.196 -11.177 1.00 0.00 H new ATOM 0 HB3 PRO A 58 118.263 9.493 -11.106 1.00 0.00 H new ATOM 0 HG2 PRO A 58 119.087 6.965 -11.280 1.00 0.00 H new ATOM 0 HG3 PRO A 58 119.958 8.100 -10.267 1.00 0.00 H new ATOM 0 HD2 PRO A 58 118.066 5.890 -9.431 1.00 0.00 H new ATOM 0 HD3 PRO A 58 119.503 6.470 -8.612 1.00 0.00 H new ATOM 930 N LYS A 59 115.580 10.411 -8.648 1.00 0.00 N ATOM 931 CA LYS A 59 114.141 10.774 -8.566 1.00 0.00 C ATOM 932 C LYS A 59 113.540 10.987 -9.954 1.00 0.00 C ATOM 933 O LYS A 59 114.217 10.944 -10.961 1.00 0.00 O ATOM 934 CB LYS A 59 114.000 12.056 -7.748 1.00 0.00 C ATOM 935 CG LYS A 59 114.230 11.730 -6.266 1.00 0.00 C ATOM 936 CD LYS A 59 115.263 12.681 -5.665 1.00 0.00 C ATOM 937 CE LYS A 59 114.682 14.091 -5.551 1.00 0.00 C ATOM 938 NZ LYS A 59 115.775 15.051 -5.227 1.00 0.00 N ATOM 0 H LYS A 59 116.225 11.123 -8.304 1.00 0.00 H new ATOM 0 HA LYS A 59 113.603 9.955 -8.089 1.00 0.00 H new ATOM 0 HB2 LYS A 59 114.721 12.800 -8.086 1.00 0.00 H new ATOM 0 HB3 LYS A 59 113.008 12.486 -7.890 1.00 0.00 H new ATOM 0 HG2 LYS A 59 113.290 11.811 -5.719 1.00 0.00 H new ATOM 0 HG3 LYS A 59 114.571 10.700 -6.162 1.00 0.00 H new ATOM 0 HD2 LYS A 59 115.566 12.325 -4.681 1.00 0.00 H new ATOM 0 HD3 LYS A 59 116.158 12.698 -6.288 1.00 0.00 H new ATOM 0 HE2 LYS A 59 114.199 14.374 -6.486 1.00 0.00 H new ATOM 0 HE3 LYS A 59 113.916 14.119 -4.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 115.382 16.011 -5.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 116.216 14.783 -4.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 116.490 15.030 -5.982 1.00 0.00 H new ATOM 952 N ILE A 60 112.255 11.214 -9.994 1.00 0.00 N ATOM 953 CA ILE A 60 111.554 11.433 -11.288 1.00 0.00 C ATOM 954 C ILE A 60 110.316 12.294 -11.027 1.00 0.00 C ATOM 955 O ILE A 60 109.618 12.096 -10.055 1.00 0.00 O ATOM 956 CB ILE A 60 111.121 10.079 -11.867 1.00 0.00 C ATOM 957 CG1 ILE A 60 111.030 9.047 -10.734 1.00 0.00 C ATOM 958 CG2 ILE A 60 112.143 9.606 -12.905 1.00 0.00 C ATOM 959 CD1 ILE A 60 110.167 7.858 -11.171 1.00 0.00 C ATOM 0 H ILE A 60 111.654 11.257 -9.171 1.00 0.00 H new ATOM 0 HA ILE A 60 112.216 11.931 -11.996 1.00 0.00 H new ATOM 0 HB ILE A 60 110.148 10.187 -12.345 1.00 0.00 H new ATOM 0 HG12 ILE A 60 112.028 8.702 -10.465 1.00 0.00 H new ATOM 0 HG13 ILE A 60 110.602 9.509 -9.844 1.00 0.00 H new ATOM 0 HG21 ILE A 60 111.830 8.645 -13.312 1.00 0.00 H new ATOM 0 HG22 ILE A 60 112.208 10.337 -13.711 1.00 0.00 H new ATOM 0 HG23 ILE A 60 113.119 9.499 -12.432 1.00 0.00 H new ATOM 0 HD11 ILE A 60 110.110 7.132 -10.360 1.00 0.00 H new ATOM 0 HD12 ILE A 60 109.164 8.207 -11.417 1.00 0.00 H new ATOM 0 HD13 ILE A 60 110.613 7.388 -12.047 1.00 0.00 H new ATOM 971 N ALA A 61 110.041 13.248 -11.876 1.00 0.00 N ATOM 972 CA ALA A 61 108.848 14.119 -11.658 1.00 0.00 C ATOM 973 C ALA A 61 107.634 13.261 -11.294 1.00 0.00 C ATOM 974 O ALA A 61 106.786 12.985 -12.119 1.00 0.00 O ATOM 975 CB ALA A 61 108.543 14.910 -12.930 1.00 0.00 C ATOM 0 H ALA A 61 110.589 13.462 -12.709 1.00 0.00 H new ATOM 0 HA ALA A 61 109.062 14.809 -10.842 1.00 0.00 H new ATOM 0 HB1 ALA A 61 107.672 15.543 -12.764 1.00 0.00 H new ATOM 0 HB2 ALA A 61 109.401 15.532 -13.186 1.00 0.00 H new ATOM 0 HB3 ALA A 61 108.339 14.219 -13.748 1.00 0.00 H new ATOM 981 N CYS A 62 107.546 12.843 -10.060 1.00 0.00 N ATOM 982 CA CYS A 62 106.393 12.006 -9.625 1.00 0.00 C ATOM 983 C CYS A 62 105.099 12.575 -10.215 1.00 0.00 C ATOM 984 O CYS A 62 104.490 11.986 -11.086 1.00 0.00 O ATOM 985 CB CYS A 62 106.319 12.024 -8.091 1.00 0.00 C ATOM 986 SG CYS A 62 106.654 10.369 -7.445 1.00 0.00 S ATOM 0 H CYS A 62 108.229 13.047 -9.330 1.00 0.00 H new ATOM 0 HA CYS A 62 106.522 10.981 -9.974 1.00 0.00 H new ATOM 0 HB2 CYS A 62 107.042 12.734 -7.691 1.00 0.00 H new ATOM 0 HB3 CYS A 62 105.333 12.358 -7.769 1.00 0.00 H new ATOM 991 N LYS A 63 104.679 13.719 -9.750 1.00 0.00 N ATOM 992 CA LYS A 63 103.430 14.328 -10.286 1.00 0.00 C ATOM 993 C LYS A 63 103.754 15.083 -11.575 1.00 0.00 C ATOM 994 O LYS A 63 103.352 14.700 -12.655 1.00 0.00 O ATOM 995 CB LYS A 63 102.857 15.303 -9.253 1.00 0.00 C ATOM 996 CG LYS A 63 102.123 14.526 -8.152 1.00 0.00 C ATOM 997 CD LYS A 63 100.661 14.292 -8.559 1.00 0.00 C ATOM 998 CE LYS A 63 99.892 15.621 -8.565 1.00 0.00 C ATOM 999 NZ LYS A 63 99.798 16.133 -9.961 1.00 0.00 N ATOM 0 H LYS A 63 105.147 14.258 -9.022 1.00 0.00 H new ATOM 0 HA LYS A 63 102.698 13.547 -10.493 1.00 0.00 H new ATOM 0 HB2 LYS A 63 103.660 15.898 -8.817 1.00 0.00 H new ATOM 0 HB3 LYS A 63 102.172 15.999 -9.738 1.00 0.00 H new ATOM 0 HG2 LYS A 63 102.618 13.571 -7.978 1.00 0.00 H new ATOM 0 HG3 LYS A 63 102.164 15.081 -7.215 1.00 0.00 H new ATOM 0 HD2 LYS A 63 100.620 13.835 -9.548 1.00 0.00 H new ATOM 0 HD3 LYS A 63 100.190 13.594 -7.866 1.00 0.00 H new ATOM 0 HE2 LYS A 63 98.894 15.478 -8.151 1.00 0.00 H new ATOM 0 HE3 LYS A 63 100.399 16.350 -7.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 100.132 17.117 -9.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 100.387 15.547 -10.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 98.809 16.093 -10.280 1.00 0.00 H new ATOM 1013 N ASN A 64 104.484 16.152 -11.459 1.00 0.00 N ATOM 1014 CA ASN A 64 104.857 16.952 -12.658 1.00 0.00 C ATOM 1015 C ASN A 64 106.160 17.679 -12.348 1.00 0.00 C ATOM 1016 O ASN A 64 106.502 18.672 -12.959 1.00 0.00 O ATOM 1017 CB ASN A 64 103.757 17.970 -12.956 1.00 0.00 C ATOM 1018 CG ASN A 64 103.926 18.505 -14.380 1.00 0.00 C ATOM 1019 OD1 ASN A 64 104.925 19.121 -14.695 1.00 0.00 O ATOM 1020 ND2 ASN A 64 102.985 18.294 -15.259 1.00 0.00 N ATOM 0 H ASN A 64 104.844 16.512 -10.575 1.00 0.00 H new ATOM 0 HA ASN A 64 104.980 16.305 -13.527 1.00 0.00 H new ATOM 0 HB2 ASN A 64 102.777 17.505 -12.845 1.00 0.00 H new ATOM 0 HB3 ASN A 64 103.803 18.791 -12.240 1.00 0.00 H new ATOM 0 HD21 ASN A 64 103.088 18.646 -16.211 1.00 0.00 H new ATOM 0 HD22 ASN A 64 102.147 17.777 -14.994 1.00 0.00 H new ATOM 1027 N GLY A 65 106.880 17.182 -11.384 1.00 0.00 N ATOM 1028 CA GLY A 65 108.164 17.820 -10.989 1.00 0.00 C ATOM 1029 C GLY A 65 108.434 17.513 -9.516 1.00 0.00 C ATOM 1030 O GLY A 65 109.402 17.971 -8.943 1.00 0.00 O ATOM 0 H GLY A 65 106.631 16.351 -10.847 1.00 0.00 H new ATOM 0 HA2 GLY A 65 108.978 17.444 -11.608 1.00 0.00 H new ATOM 0 HA3 GLY A 65 108.114 18.897 -11.147 1.00 0.00 H new ATOM 1034 N ASP A 66 107.581 16.737 -8.895 1.00 0.00 N ATOM 1035 CA ASP A 66 107.794 16.400 -7.459 1.00 0.00 C ATOM 1036 C ASP A 66 109.178 15.772 -7.292 1.00 0.00 C ATOM 1037 O ASP A 66 109.922 16.113 -6.394 1.00 0.00 O ATOM 1038 CB ASP A 66 106.720 15.404 -7.004 1.00 0.00 C ATOM 1039 CG ASP A 66 105.534 16.160 -6.399 1.00 0.00 C ATOM 1040 OD1 ASP A 66 105.375 17.326 -6.720 1.00 0.00 O ATOM 1041 OD2 ASP A 66 104.806 15.560 -5.626 1.00 0.00 O ATOM 0 H ASP A 66 106.750 16.325 -9.320 1.00 0.00 H new ATOM 0 HA ASP A 66 107.727 17.304 -6.854 1.00 0.00 H new ATOM 0 HB2 ASP A 66 106.387 14.803 -7.850 1.00 0.00 H new ATOM 0 HB3 ASP A 66 107.137 14.716 -6.269 1.00 0.00 H new ATOM 1046 N LYS A 67 109.527 14.858 -8.154 1.00 0.00 N ATOM 1047 CA LYS A 67 110.862 14.207 -8.055 1.00 0.00 C ATOM 1048 C LYS A 67 111.041 13.598 -6.663 1.00 0.00 C ATOM 1049 O LYS A 67 112.050 13.794 -6.021 1.00 0.00 O ATOM 1050 CB LYS A 67 111.959 15.246 -8.307 1.00 0.00 C ATOM 1051 CG LYS A 67 111.721 15.929 -9.656 1.00 0.00 C ATOM 1052 CD LYS A 67 112.562 17.204 -9.739 1.00 0.00 C ATOM 1053 CE LYS A 67 112.486 17.775 -11.156 1.00 0.00 C ATOM 1054 NZ LYS A 67 113.415 18.934 -11.276 1.00 0.00 N ATOM 0 H LYS A 67 108.943 14.533 -8.925 1.00 0.00 H new ATOM 0 HA LYS A 67 110.932 13.417 -8.803 1.00 0.00 H new ATOM 0 HB2 LYS A 67 111.962 15.988 -7.508 1.00 0.00 H new ATOM 0 HB3 LYS A 67 112.937 14.766 -8.299 1.00 0.00 H new ATOM 0 HG2 LYS A 67 111.985 15.253 -10.469 1.00 0.00 H new ATOM 0 HG3 LYS A 67 110.664 16.170 -9.772 1.00 0.00 H new ATOM 0 HD2 LYS A 67 112.200 17.939 -9.020 1.00 0.00 H new ATOM 0 HD3 LYS A 67 113.598 16.987 -9.478 1.00 0.00 H new ATOM 0 HE2 LYS A 67 112.750 17.007 -11.883 1.00 0.00 H new ATOM 0 HE3 LYS A 67 111.466 18.088 -11.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 113.363 19.322 -12.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 113.144 19.669 -10.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 114.387 18.621 -11.081 1.00 0.00 H new ATOM 1068 N ASN A 68 110.071 12.858 -6.190 1.00 0.00 N ATOM 1069 CA ASN A 68 110.196 12.235 -4.835 1.00 0.00 C ATOM 1070 C ASN A 68 109.973 10.722 -4.936 1.00 0.00 C ATOM 1071 O ASN A 68 109.555 10.087 -3.981 1.00 0.00 O ATOM 1072 CB ASN A 68 109.147 12.840 -3.901 1.00 0.00 C ATOM 1073 CG ASN A 68 109.304 14.362 -3.873 1.00 0.00 C ATOM 1074 OD1 ASN A 68 110.377 14.878 -4.115 1.00 0.00 O ATOM 1075 ND2 ASN A 68 108.271 15.107 -3.587 1.00 0.00 N ATOM 0 H ASN A 68 109.200 12.658 -6.681 1.00 0.00 H new ATOM 0 HA ASN A 68 111.194 12.426 -4.442 1.00 0.00 H new ATOM 0 HB2 ASN A 68 108.146 12.573 -4.240 1.00 0.00 H new ATOM 0 HB3 ASN A 68 109.262 12.434 -2.896 1.00 0.00 H new ATOM 0 HD21 ASN A 68 108.365 16.122 -3.567 1.00 0.00 H new ATOM 0 HD22 ASN A 68 107.370 14.674 -3.384 1.00 0.00 H new ATOM 1082 N CYS A 69 110.259 10.140 -6.081 1.00 0.00 N ATOM 1083 CA CYS A 69 110.071 8.671 -6.260 1.00 0.00 C ATOM 1084 C CYS A 69 111.376 8.065 -6.766 1.00 0.00 C ATOM 1085 O CYS A 69 112.174 8.726 -7.390 1.00 0.00 O ATOM 1086 CB CYS A 69 108.947 8.412 -7.274 1.00 0.00 C ATOM 1087 SG CYS A 69 108.514 9.954 -8.114 1.00 0.00 S ATOM 0 H CYS A 69 110.617 10.629 -6.902 1.00 0.00 H new ATOM 0 HA CYS A 69 109.799 8.214 -5.309 1.00 0.00 H new ATOM 0 HB2 CYS A 69 109.267 7.667 -8.003 1.00 0.00 H new ATOM 0 HB3 CYS A 69 108.072 8.006 -6.766 1.00 0.00 H new ATOM 1092 N HIS A 70 111.602 6.811 -6.500 1.00 0.00 N ATOM 1093 CA HIS A 70 112.866 6.168 -6.966 1.00 0.00 C ATOM 1094 C HIS A 70 112.608 4.681 -7.147 1.00 0.00 C ATOM 1095 O HIS A 70 111.993 4.043 -6.313 1.00 0.00 O ATOM 1096 CB HIS A 70 113.994 6.371 -5.939 1.00 0.00 C ATOM 1097 CG HIS A 70 113.718 7.581 -5.094 1.00 0.00 C ATOM 1098 ND1 HIS A 70 114.658 8.584 -4.899 1.00 0.00 N ATOM 1099 CD2 HIS A 70 112.617 7.956 -4.376 1.00 0.00 C ATOM 1100 CE1 HIS A 70 114.104 9.505 -4.090 1.00 0.00 C ATOM 1101 NE2 HIS A 70 112.862 9.169 -3.745 1.00 0.00 N ATOM 0 H HIS A 70 110.969 6.202 -5.981 1.00 0.00 H new ATOM 0 HA HIS A 70 113.176 6.623 -7.907 1.00 0.00 H new ATOM 0 HB2 HIS A 70 114.081 5.489 -5.305 1.00 0.00 H new ATOM 0 HB3 HIS A 70 114.947 6.489 -6.454 1.00 0.00 H new ATOM 0 HD2 HIS A 70 111.697 7.395 -4.309 1.00 0.00 H new ATOM 0 HE1 HIS A 70 114.604 10.404 -3.761 1.00 0.00 H new ATOM 0 HE2 HIS A 70 112.225 9.692 -3.144 1.00 0.00 H new ATOM 1110 N GLN A 71 113.053 4.127 -8.236 1.00 0.00 N ATOM 1111 CA GLN A 71 112.806 2.681 -8.476 1.00 0.00 C ATOM 1112 C GLN A 71 113.976 1.841 -7.979 1.00 0.00 C ATOM 1113 O GLN A 71 115.111 2.272 -7.945 1.00 0.00 O ATOM 1114 CB GLN A 71 112.548 2.432 -9.973 1.00 0.00 C ATOM 1115 CG GLN A 71 113.777 1.822 -10.655 1.00 0.00 C ATOM 1116 CD GLN A 71 114.978 2.754 -10.487 1.00 0.00 C ATOM 1117 OE1 GLN A 71 116.112 2.319 -10.542 1.00 0.00 O ATOM 1118 NE2 GLN A 71 114.777 4.027 -10.284 1.00 0.00 N ATOM 0 H GLN A 71 113.575 4.609 -8.968 1.00 0.00 H new ATOM 0 HA GLN A 71 111.920 2.381 -7.916 1.00 0.00 H new ATOM 0 HB2 GLN A 71 111.695 1.764 -10.091 1.00 0.00 H new ATOM 0 HB3 GLN A 71 112.287 3.371 -10.461 1.00 0.00 H new ATOM 0 HG2 GLN A 71 113.998 0.847 -10.222 1.00 0.00 H new ATOM 0 HG3 GLN A 71 113.575 1.662 -11.714 1.00 0.00 H new ATOM 0 HE21 GLN A 71 113.826 4.392 -10.238 1.00 0.00 H new ATOM 0 HE22 GLN A 71 115.571 4.657 -10.171 1.00 0.00 H new ATOM 1127 N SER A 72 113.686 0.633 -7.593 1.00 0.00 N ATOM 1128 CA SER A 72 114.752 -0.275 -7.090 1.00 0.00 C ATOM 1129 C SER A 72 115.800 -0.495 -8.184 1.00 0.00 C ATOM 1130 O SER A 72 115.481 -0.627 -9.347 1.00 0.00 O ATOM 1131 CB SER A 72 114.135 -1.618 -6.697 1.00 0.00 C ATOM 1132 OG SER A 72 115.062 -2.346 -5.904 1.00 0.00 O ATOM 0 H SER A 72 112.748 0.232 -7.604 1.00 0.00 H new ATOM 0 HA SER A 72 115.228 0.175 -6.219 1.00 0.00 H new ATOM 0 HB2 SER A 72 113.211 -1.458 -6.142 1.00 0.00 H new ATOM 0 HB3 SER A 72 113.876 -2.188 -7.590 1.00 0.00 H new ATOM 0 HG SER A 72 114.669 -3.207 -5.649 1.00 0.00 H new ATOM 1138 N HIS A 73 117.050 -0.536 -7.819 1.00 0.00 N ATOM 1139 CA HIS A 73 118.119 -0.746 -8.836 1.00 0.00 C ATOM 1140 C HIS A 73 118.021 -2.163 -9.402 1.00 0.00 C ATOM 1141 O HIS A 73 119.008 -2.756 -9.792 1.00 0.00 O ATOM 1142 CB HIS A 73 119.481 -0.569 -8.175 1.00 0.00 C ATOM 1143 CG HIS A 73 119.741 0.893 -7.935 1.00 0.00 C ATOM 1144 ND1 HIS A 73 119.943 1.409 -6.662 1.00 0.00 N ATOM 1145 CD2 HIS A 73 119.835 1.961 -8.793 1.00 0.00 C ATOM 1146 CE1 HIS A 73 120.147 2.734 -6.790 1.00 0.00 C ATOM 1147 NE2 HIS A 73 120.090 3.118 -8.066 1.00 0.00 N ATOM 0 H HIS A 73 117.379 -0.433 -6.859 1.00 0.00 H new ATOM 0 HA HIS A 73 117.998 -0.022 -9.642 1.00 0.00 H new ATOM 0 HB2 HIS A 73 119.512 -1.114 -7.231 1.00 0.00 H new ATOM 0 HB3 HIS A 73 120.262 -0.988 -8.810 1.00 0.00 H new ATOM 0 HD2 HIS A 73 119.727 1.910 -9.866 1.00 0.00 H new ATOM 0 HE1 HIS A 73 120.334 3.402 -5.962 1.00 0.00 H new ATOM 0 HE2 HIS A 73 120.209 4.063 -8.432 1.00 0.00 H new ATOM 1156 N GLY A 74 116.843 -2.712 -9.448 1.00 0.00 N ATOM 1157 CA GLY A 74 116.685 -4.093 -9.986 1.00 0.00 C ATOM 1158 C GLY A 74 115.340 -4.664 -9.536 1.00 0.00 C ATOM 1159 O GLY A 74 114.530 -3.974 -8.950 1.00 0.00 O ATOM 0 H GLY A 74 115.980 -2.266 -9.137 1.00 0.00 H new ATOM 0 HA2 GLY A 74 116.741 -4.079 -11.074 1.00 0.00 H new ATOM 0 HA3 GLY A 74 117.498 -4.728 -9.633 1.00 0.00 H new ATOM 1163 N PRO A 75 115.104 -5.918 -9.812 1.00 0.00 N ATOM 1164 CA PRO A 75 113.834 -6.599 -9.435 1.00 0.00 C ATOM 1165 C PRO A 75 113.788 -6.960 -7.946 1.00 0.00 C ATOM 1166 O PRO A 75 114.632 -7.679 -7.449 1.00 0.00 O ATOM 1167 CB PRO A 75 113.837 -7.862 -10.299 1.00 0.00 C ATOM 1168 CG PRO A 75 115.280 -8.167 -10.542 1.00 0.00 C ATOM 1169 CD PRO A 75 116.025 -6.827 -10.517 1.00 0.00 C ATOM 0 HA PRO A 75 112.964 -5.962 -9.597 1.00 0.00 H new ATOM 0 HB2 PRO A 75 113.340 -8.688 -9.790 1.00 0.00 H new ATOM 0 HB3 PRO A 75 113.306 -7.699 -11.237 1.00 0.00 H new ATOM 0 HG2 PRO A 75 115.667 -8.839 -9.777 1.00 0.00 H new ATOM 0 HG3 PRO A 75 115.414 -8.666 -11.502 1.00 0.00 H new ATOM 0 HD2 PRO A 75 116.979 -6.911 -9.996 1.00 0.00 H new ATOM 0 HD3 PRO A 75 116.242 -6.472 -11.525 1.00 0.00 H new ATOM 1177 N VAL A 76 112.803 -6.474 -7.232 1.00 0.00 N ATOM 1178 CA VAL A 76 112.699 -6.797 -5.780 1.00 0.00 C ATOM 1179 C VAL A 76 111.569 -7.808 -5.590 1.00 0.00 C ATOM 1180 O VAL A 76 110.529 -7.713 -6.216 1.00 0.00 O ATOM 1181 CB VAL A 76 112.394 -5.514 -4.984 1.00 0.00 C ATOM 1182 CG1 VAL A 76 111.603 -4.543 -5.855 1.00 0.00 C ATOM 1183 CG2 VAL A 76 111.587 -5.859 -3.727 1.00 0.00 C ATOM 0 H VAL A 76 112.067 -5.867 -7.594 1.00 0.00 H new ATOM 0 HA VAL A 76 113.638 -7.217 -5.420 1.00 0.00 H new ATOM 0 HB VAL A 76 113.333 -5.047 -4.687 1.00 0.00 H new ATOM 0 HG11 VAL A 76 111.389 -3.637 -5.288 1.00 0.00 H new ATOM 0 HG12 VAL A 76 112.187 -4.289 -6.739 1.00 0.00 H new ATOM 0 HG13 VAL A 76 110.666 -5.009 -6.161 1.00 0.00 H new ATOM 0 HG21 VAL A 76 111.375 -4.947 -3.169 1.00 0.00 H new ATOM 0 HG22 VAL A 76 110.649 -6.334 -4.016 1.00 0.00 H new ATOM 0 HG23 VAL A 76 112.162 -6.542 -3.101 1.00 0.00 H new ATOM 1193 N SER A 77 111.757 -8.768 -4.730 1.00 0.00 N ATOM 1194 CA SER A 77 110.685 -9.773 -4.499 1.00 0.00 C ATOM 1195 C SER A 77 109.460 -9.054 -3.939 1.00 0.00 C ATOM 1196 O SER A 77 109.249 -9.006 -2.751 1.00 0.00 O ATOM 1197 CB SER A 77 111.171 -10.820 -3.495 1.00 0.00 C ATOM 1198 OG SER A 77 111.896 -10.174 -2.457 1.00 0.00 O ATOM 0 H SER A 77 112.605 -8.900 -4.178 1.00 0.00 H new ATOM 0 HA SER A 77 110.431 -10.271 -5.434 1.00 0.00 H new ATOM 0 HB2 SER A 77 110.322 -11.363 -3.078 1.00 0.00 H new ATOM 0 HB3 SER A 77 111.804 -11.553 -3.995 1.00 0.00 H new ATOM 0 HG SER A 77 112.207 -10.842 -1.811 1.00 0.00 H new ATOM 1204 N LEU A 78 108.656 -8.484 -4.786 1.00 0.00 N ATOM 1205 CA LEU A 78 107.454 -7.757 -4.299 1.00 0.00 C ATOM 1206 C LEU A 78 106.248 -8.695 -4.301 1.00 0.00 C ATOM 1207 O LEU A 78 106.343 -9.850 -4.667 1.00 0.00 O ATOM 1208 CB LEU A 78 107.179 -6.573 -5.216 1.00 0.00 C ATOM 1209 CG LEU A 78 106.851 -7.064 -6.629 1.00 0.00 C ATOM 1210 CD1 LEU A 78 105.388 -7.523 -6.718 1.00 0.00 C ATOM 1211 CD2 LEU A 78 107.080 -5.917 -7.608 1.00 0.00 C ATOM 0 H LEU A 78 108.779 -8.490 -5.799 1.00 0.00 H new ATOM 0 HA LEU A 78 107.630 -7.402 -3.284 1.00 0.00 H new ATOM 0 HB2 LEU A 78 106.348 -5.986 -4.825 1.00 0.00 H new ATOM 0 HB3 LEU A 78 108.048 -5.916 -5.244 1.00 0.00 H new ATOM 0 HG LEU A 78 107.494 -7.910 -6.873 1.00 0.00 H new ATOM 0 HD11 LEU A 78 105.176 -7.868 -7.730 1.00 0.00 H new ATOM 0 HD12 LEU A 78 105.219 -8.338 -6.014 1.00 0.00 H new ATOM 0 HD13 LEU A 78 104.730 -6.689 -6.473 1.00 0.00 H new ATOM 0 HD21 LEU A 78 106.851 -6.251 -8.620 1.00 0.00 H new ATOM 0 HD22 LEU A 78 106.432 -5.080 -7.346 1.00 0.00 H new ATOM 0 HD23 LEU A 78 108.121 -5.599 -7.558 1.00 0.00 H new ATOM 1223 N THR A 79 105.111 -8.201 -3.899 1.00 0.00 N ATOM 1224 CA THR A 79 103.884 -9.044 -3.875 1.00 0.00 C ATOM 1225 C THR A 79 102.684 -8.199 -4.286 1.00 0.00 C ATOM 1226 O THR A 79 102.233 -7.345 -3.553 1.00 0.00 O ATOM 1227 CB THR A 79 103.675 -9.583 -2.461 1.00 0.00 C ATOM 1228 OG1 THR A 79 104.383 -10.806 -2.318 1.00 0.00 O ATOM 1229 CG2 THR A 79 102.191 -9.827 -2.193 1.00 0.00 C ATOM 0 H THR A 79 104.978 -7.240 -3.583 1.00 0.00 H new ATOM 0 HA THR A 79 103.993 -9.877 -4.569 1.00 0.00 H new ATOM 0 HB THR A 79 104.045 -8.848 -1.746 1.00 0.00 H new ATOM 0 HG1 THR A 79 104.016 -11.310 -1.562 1.00 0.00 H new ATOM 0 HG21 THR A 79 102.062 -10.211 -1.181 1.00 0.00 H new ATOM 0 HG22 THR A 79 101.643 -8.890 -2.298 1.00 0.00 H new ATOM 0 HG23 THR A 79 101.807 -10.554 -2.908 1.00 0.00 H new ATOM 1237 N MET A 80 102.158 -8.432 -5.450 1.00 0.00 N ATOM 1238 CA MET A 80 100.979 -7.640 -5.894 1.00 0.00 C ATOM 1239 C MET A 80 99.694 -8.321 -5.426 1.00 0.00 C ATOM 1240 O MET A 80 99.299 -9.346 -5.948 1.00 0.00 O ATOM 1241 CB MET A 80 100.970 -7.536 -7.421 1.00 0.00 C ATOM 1242 CG MET A 80 102.399 -7.366 -7.930 1.00 0.00 C ATOM 1243 SD MET A 80 102.378 -7.089 -9.719 1.00 0.00 S ATOM 1244 CE MET A 80 101.554 -5.477 -9.699 1.00 0.00 C ATOM 0 H MET A 80 102.489 -9.133 -6.113 1.00 0.00 H new ATOM 0 HA MET A 80 101.039 -6.641 -5.463 1.00 0.00 H new ATOM 0 HB2 MET A 80 100.523 -8.431 -7.854 1.00 0.00 H new ATOM 0 HB3 MET A 80 100.358 -6.690 -7.735 1.00 0.00 H new ATOM 0 HG2 MET A 80 102.877 -6.525 -7.427 1.00 0.00 H new ATOM 0 HG3 MET A 80 102.987 -8.254 -7.696 1.00 0.00 H new ATOM 0 HE1 MET A 80 101.875 -4.894 -10.562 1.00 0.00 H new ATOM 0 HE2 MET A 80 100.474 -5.620 -9.738 1.00 0.00 H new ATOM 0 HE3 MET A 80 101.816 -4.946 -8.784 1.00 0.00 H new ATOM 1254 N CYS A 81 99.026 -7.758 -4.453 1.00 0.00 N ATOM 1255 CA CYS A 81 97.758 -8.372 -3.980 1.00 0.00 C ATOM 1256 C CYS A 81 96.595 -7.712 -4.711 1.00 0.00 C ATOM 1257 O CYS A 81 96.647 -6.542 -5.031 1.00 0.00 O ATOM 1258 CB CYS A 81 97.588 -8.148 -2.480 1.00 0.00 C ATOM 1259 SG CYS A 81 99.164 -8.402 -1.638 1.00 0.00 S ATOM 0 H CYS A 81 99.305 -6.904 -3.970 1.00 0.00 H new ATOM 0 HA CYS A 81 97.781 -9.443 -4.180 1.00 0.00 H new ATOM 0 HB2 CYS A 81 97.225 -7.137 -2.293 1.00 0.00 H new ATOM 0 HB3 CYS A 81 96.839 -8.834 -2.084 1.00 0.00 H new ATOM 1264 N LYS A 82 95.546 -8.440 -4.979 1.00 0.00 N ATOM 1265 CA LYS A 82 94.394 -7.841 -5.684 1.00 0.00 C ATOM 1266 C LYS A 82 93.112 -8.216 -4.941 1.00 0.00 C ATOM 1267 O LYS A 82 93.053 -9.225 -4.266 1.00 0.00 O ATOM 1268 CB LYS A 82 94.352 -8.368 -7.125 1.00 0.00 C ATOM 1269 CG LYS A 82 93.355 -9.522 -7.223 1.00 0.00 C ATOM 1270 CD LYS A 82 93.538 -10.247 -8.558 1.00 0.00 C ATOM 1271 CE LYS A 82 92.482 -11.346 -8.690 1.00 0.00 C ATOM 1272 NZ LYS A 82 91.123 -10.740 -8.624 1.00 0.00 N ATOM 0 H LYS A 82 95.443 -9.425 -4.737 1.00 0.00 H new ATOM 0 HA LYS A 82 94.488 -6.755 -5.711 1.00 0.00 H new ATOM 0 HB2 LYS A 82 94.065 -7.568 -7.807 1.00 0.00 H new ATOM 0 HB3 LYS A 82 95.343 -8.705 -7.428 1.00 0.00 H new ATOM 0 HG2 LYS A 82 93.505 -10.217 -6.397 1.00 0.00 H new ATOM 0 HG3 LYS A 82 92.336 -9.144 -7.140 1.00 0.00 H new ATOM 0 HD2 LYS A 82 93.448 -9.540 -9.383 1.00 0.00 H new ATOM 0 HD3 LYS A 82 94.537 -10.679 -8.616 1.00 0.00 H new ATOM 0 HE2 LYS A 82 92.610 -11.876 -9.634 1.00 0.00 H new ATOM 0 HE3 LYS A 82 92.604 -12.080 -7.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 90.418 -11.433 -8.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 90.914 -10.463 -7.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 91.087 -9.900 -9.236 1.00 0.00 H new ATOM 1286 N LEU A 83 92.084 -7.428 -5.060 1.00 0.00 N ATOM 1287 CA LEU A 83 90.824 -7.776 -4.355 1.00 0.00 C ATOM 1288 C LEU A 83 90.171 -8.940 -5.081 1.00 0.00 C ATOM 1289 O LEU A 83 89.664 -8.805 -6.177 1.00 0.00 O ATOM 1290 CB LEU A 83 89.869 -6.577 -4.322 1.00 0.00 C ATOM 1291 CG LEU A 83 88.503 -7.002 -3.759 1.00 0.00 C ATOM 1292 CD1 LEU A 83 88.695 -7.872 -2.520 1.00 0.00 C ATOM 1293 CD2 LEU A 83 87.701 -5.765 -3.355 1.00 0.00 C ATOM 0 H LEU A 83 92.061 -6.568 -5.608 1.00 0.00 H new ATOM 0 HA LEU A 83 91.050 -8.053 -3.325 1.00 0.00 H new ATOM 0 HB2 LEU A 83 90.292 -5.782 -3.708 1.00 0.00 H new ATOM 0 HB3 LEU A 83 89.747 -6.172 -5.327 1.00 0.00 H new ATOM 0 HG LEU A 83 87.972 -7.561 -4.529 1.00 0.00 H new ATOM 0 HD11 LEU A 83 87.722 -8.168 -2.129 1.00 0.00 H new ATOM 0 HD12 LEU A 83 89.265 -8.762 -2.785 1.00 0.00 H new ATOM 0 HD13 LEU A 83 89.236 -7.308 -1.760 1.00 0.00 H new ATOM 0 HD21 LEU A 83 86.734 -6.072 -2.957 1.00 0.00 H new ATOM 0 HD22 LEU A 83 88.248 -5.210 -2.593 1.00 0.00 H new ATOM 0 HD23 LEU A 83 87.549 -5.129 -4.227 1.00 0.00 H new ATOM 1305 N THR A 84 90.185 -10.084 -4.472 1.00 0.00 N ATOM 1306 CA THR A 84 89.570 -11.272 -5.115 1.00 0.00 C ATOM 1307 C THR A 84 88.069 -11.033 -5.241 1.00 0.00 C ATOM 1308 O THR A 84 87.506 -11.180 -6.306 1.00 0.00 O ATOM 1309 CB THR A 84 89.845 -12.523 -4.274 1.00 0.00 C ATOM 1310 OG1 THR A 84 89.097 -12.456 -3.070 1.00 0.00 O ATOM 1311 CG2 THR A 84 91.344 -12.614 -3.947 1.00 0.00 C ATOM 0 H THR A 84 90.597 -10.251 -3.554 1.00 0.00 H new ATOM 0 HA THR A 84 90.000 -11.427 -6.105 1.00 0.00 H new ATOM 0 HB THR A 84 89.549 -13.408 -4.838 1.00 0.00 H new ATOM 0 HG1 THR A 84 89.247 -11.588 -2.640 1.00 0.00 H new ATOM 0 HG21 THR A 84 91.532 -13.506 -3.349 1.00 0.00 H new ATOM 0 HG22 THR A 84 91.916 -12.671 -4.873 1.00 0.00 H new ATOM 0 HG23 THR A 84 91.648 -11.730 -3.386 1.00 0.00 H new ATOM 1319 N SER A 85 87.419 -10.634 -4.174 1.00 0.00 N ATOM 1320 CA SER A 85 85.948 -10.357 -4.267 1.00 0.00 C ATOM 1321 C SER A 85 85.289 -10.407 -2.887 1.00 0.00 C ATOM 1322 O SER A 85 85.765 -11.041 -1.968 1.00 0.00 O ATOM 1323 CB SER A 85 85.268 -11.388 -5.172 1.00 0.00 C ATOM 1324 OG SER A 85 85.267 -10.912 -6.512 1.00 0.00 O ATOM 0 H SER A 85 87.835 -10.489 -3.254 1.00 0.00 H new ATOM 0 HA SER A 85 85.829 -9.358 -4.685 1.00 0.00 H new ATOM 0 HB2 SER A 85 85.792 -12.342 -5.114 1.00 0.00 H new ATOM 0 HB3 SER A 85 84.246 -11.565 -4.836 1.00 0.00 H new ATOM 0 HG SER A 85 86.189 -10.750 -6.802 1.00 0.00 H new ATOM 1330 N GLY A 86 84.180 -9.735 -2.759 1.00 0.00 N ATOM 1331 CA GLY A 86 83.435 -9.705 -1.482 1.00 0.00 C ATOM 1332 C GLY A 86 82.679 -8.383 -1.421 1.00 0.00 C ATOM 1333 O GLY A 86 81.497 -8.313 -1.691 1.00 0.00 O ATOM 0 H GLY A 86 83.752 -9.193 -3.510 1.00 0.00 H new ATOM 0 HA2 GLY A 86 82.743 -10.545 -1.423 1.00 0.00 H new ATOM 0 HA3 GLY A 86 84.118 -9.795 -0.638 1.00 0.00 H new ATOM 1337 N LYS A 87 83.370 -7.335 -1.076 1.00 0.00 N ATOM 1338 CA LYS A 87 82.743 -5.986 -0.985 1.00 0.00 C ATOM 1339 C LYS A 87 83.729 -5.081 -0.237 1.00 0.00 C ATOM 1340 O LYS A 87 84.915 -5.160 -0.464 1.00 0.00 O ATOM 1341 CB LYS A 87 81.410 -6.084 -0.229 1.00 0.00 C ATOM 1342 CG LYS A 87 81.540 -7.089 0.925 1.00 0.00 C ATOM 1343 CD LYS A 87 80.307 -7.007 1.835 1.00 0.00 C ATOM 1344 CE LYS A 87 79.193 -7.893 1.271 1.00 0.00 C ATOM 1345 NZ LYS A 87 77.972 -7.752 2.113 1.00 0.00 N ATOM 0 H LYS A 87 84.364 -7.356 -0.848 1.00 0.00 H new ATOM 0 HA LYS A 87 82.532 -5.579 -1.974 1.00 0.00 H new ATOM 0 HB2 LYS A 87 81.128 -5.105 0.159 1.00 0.00 H new ATOM 0 HB3 LYS A 87 80.618 -6.397 -0.909 1.00 0.00 H new ATOM 0 HG2 LYS A 87 81.643 -8.099 0.528 1.00 0.00 H new ATOM 0 HG3 LYS A 87 82.441 -6.879 1.501 1.00 0.00 H new ATOM 0 HD2 LYS A 87 80.565 -7.328 2.844 1.00 0.00 H new ATOM 0 HD3 LYS A 87 79.964 -5.975 1.907 1.00 0.00 H new ATOM 0 HE2 LYS A 87 78.973 -7.608 0.242 1.00 0.00 H new ATOM 0 HE3 LYS A 87 79.516 -8.934 1.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 77.215 -8.354 1.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 78.187 -8.044 3.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 77.661 -6.760 2.110 1.00 0.00 H new ATOM 1359 N TYR A 88 83.280 -4.240 0.659 1.00 0.00 N ATOM 1360 CA TYR A 88 84.247 -3.383 1.404 1.00 0.00 C ATOM 1361 C TYR A 88 84.474 -3.977 2.808 1.00 0.00 C ATOM 1362 O TYR A 88 85.599 -4.143 3.234 1.00 0.00 O ATOM 1363 CB TYR A 88 83.734 -1.935 1.493 1.00 0.00 C ATOM 1364 CG TYR A 88 84.130 -1.339 2.824 1.00 0.00 C ATOM 1365 CD1 TYR A 88 85.437 -1.499 3.303 1.00 0.00 C ATOM 1366 CD2 TYR A 88 83.182 -0.663 3.592 1.00 0.00 C ATOM 1367 CE1 TYR A 88 85.788 -0.986 4.554 1.00 0.00 C ATOM 1368 CE2 TYR A 88 83.535 -0.141 4.841 1.00 0.00 C ATOM 1369 CZ TYR A 88 84.837 -0.306 5.325 1.00 0.00 C ATOM 1370 OH TYR A 88 85.183 0.196 6.563 1.00 0.00 O ATOM 0 H TYR A 88 82.298 -4.111 0.904 1.00 0.00 H new ATOM 0 HA TYR A 88 85.197 -3.361 0.870 1.00 0.00 H new ATOM 0 HB2 TYR A 88 84.149 -1.341 0.679 1.00 0.00 H new ATOM 0 HB3 TYR A 88 82.650 -1.915 1.382 1.00 0.00 H new ATOM 0 HD1 TYR A 88 86.172 -2.018 2.706 1.00 0.00 H new ATOM 0 HD2 TYR A 88 82.175 -0.542 3.222 1.00 0.00 H new ATOM 0 HE1 TYR A 88 86.793 -1.114 4.927 1.00 0.00 H new ATOM 0 HE2 TYR A 88 82.802 0.389 5.431 1.00 0.00 H new ATOM 0 HH TYR A 88 86.158 0.178 6.663 1.00 0.00 H new ATOM 1380 N PRO A 89 83.430 -4.300 3.527 1.00 0.00 N ATOM 1381 CA PRO A 89 83.559 -4.887 4.887 1.00 0.00 C ATOM 1382 C PRO A 89 83.797 -6.406 4.843 1.00 0.00 C ATOM 1383 O PRO A 89 83.891 -7.057 5.865 1.00 0.00 O ATOM 1384 CB PRO A 89 82.211 -4.571 5.531 1.00 0.00 C ATOM 1385 CG PRO A 89 81.236 -4.558 4.398 1.00 0.00 C ATOM 1386 CD PRO A 89 82.017 -4.144 3.142 1.00 0.00 C ATOM 0 HA PRO A 89 84.412 -4.483 5.433 1.00 0.00 H new ATOM 0 HB2 PRO A 89 81.943 -5.322 6.274 1.00 0.00 H new ATOM 0 HB3 PRO A 89 82.234 -3.609 6.043 1.00 0.00 H new ATOM 0 HG2 PRO A 89 80.785 -5.541 4.266 1.00 0.00 H new ATOM 0 HG3 PRO A 89 80.424 -3.859 4.596 1.00 0.00 H new ATOM 0 HD2 PRO A 89 81.764 -4.775 2.290 1.00 0.00 H new ATOM 0 HD3 PRO A 89 81.794 -3.117 2.855 1.00 0.00 H new ATOM 1394 N ASN A 90 83.890 -6.976 3.666 1.00 0.00 N ATOM 1395 CA ASN A 90 84.116 -8.451 3.562 1.00 0.00 C ATOM 1396 C ASN A 90 84.893 -8.771 2.279 1.00 0.00 C ATOM 1397 O ASN A 90 84.670 -9.780 1.639 1.00 0.00 O ATOM 1398 CB ASN A 90 82.765 -9.170 3.529 1.00 0.00 C ATOM 1399 CG ASN A 90 82.973 -10.661 3.798 1.00 0.00 C ATOM 1400 OD1 ASN A 90 83.770 -11.035 4.635 1.00 0.00 O ATOM 1401 ND2 ASN A 90 82.284 -11.536 3.118 1.00 0.00 N ATOM 0 H ASN A 90 83.819 -6.485 2.775 1.00 0.00 H new ATOM 0 HA ASN A 90 84.692 -8.787 4.424 1.00 0.00 H new ATOM 0 HB2 ASN A 90 82.096 -8.745 4.277 1.00 0.00 H new ATOM 0 HB3 ASN A 90 82.289 -9.028 2.559 1.00 0.00 H new ATOM 0 HD21 ASN A 90 82.415 -12.533 3.290 1.00 0.00 H new ATOM 0 HD22 ASN A 90 81.615 -11.223 2.415 1.00 0.00 H new ATOM 1408 N CYS A 91 85.801 -7.916 1.901 1.00 0.00 N ATOM 1409 CA CYS A 91 86.602 -8.145 0.665 1.00 0.00 C ATOM 1410 C CYS A 91 87.809 -9.031 0.987 1.00 0.00 C ATOM 1411 O CYS A 91 88.582 -8.743 1.879 1.00 0.00 O ATOM 1412 CB CYS A 91 87.079 -6.785 0.151 1.00 0.00 C ATOM 1413 SG CYS A 91 86.693 -5.525 1.387 1.00 0.00 S ATOM 0 H CYS A 91 86.026 -7.057 2.402 1.00 0.00 H new ATOM 0 HA CYS A 91 85.997 -8.644 -0.092 1.00 0.00 H new ATOM 0 HB2 CYS A 91 88.152 -6.809 -0.040 1.00 0.00 H new ATOM 0 HB3 CYS A 91 86.592 -6.547 -0.795 1.00 0.00 H new ATOM 1418 N ARG A 92 87.983 -10.098 0.253 1.00 0.00 N ATOM 1419 CA ARG A 92 89.148 -11.000 0.495 1.00 0.00 C ATOM 1420 C ARG A 92 90.157 -10.795 -0.636 1.00 0.00 C ATOM 1421 O ARG A 92 89.789 -10.718 -1.797 1.00 0.00 O ATOM 1422 CB ARG A 92 88.678 -12.461 0.521 1.00 0.00 C ATOM 1423 CG ARG A 92 87.435 -12.617 -0.355 1.00 0.00 C ATOM 1424 CD ARG A 92 87.085 -14.101 -0.486 1.00 0.00 C ATOM 1425 NE ARG A 92 88.258 -14.841 -1.031 1.00 0.00 N ATOM 1426 CZ ARG A 92 88.339 -16.135 -0.884 1.00 0.00 C ATOM 1427 NH1 ARG A 92 87.392 -16.781 -0.260 1.00 0.00 N ATOM 1428 NH2 ARG A 92 89.366 -16.783 -1.360 1.00 0.00 N ATOM 0 H ARG A 92 87.366 -10.385 -0.507 1.00 0.00 H new ATOM 0 HA ARG A 92 89.611 -10.768 1.454 1.00 0.00 H new ATOM 0 HB2 ARG A 92 89.472 -13.115 0.162 1.00 0.00 H new ATOM 0 HB3 ARG A 92 88.454 -12.763 1.544 1.00 0.00 H new ATOM 0 HG2 ARG A 92 86.598 -12.072 0.083 1.00 0.00 H new ATOM 0 HG3 ARG A 92 87.615 -12.187 -1.340 1.00 0.00 H new ATOM 0 HD2 ARG A 92 86.805 -14.507 0.486 1.00 0.00 H new ATOM 0 HD3 ARG A 92 86.225 -14.226 -1.144 1.00 0.00 H new ATOM 0 HE ARG A 92 88.998 -14.336 -1.519 1.00 0.00 H new ATOM 0 HH11 ARG A 92 86.589 -16.274 0.113 1.00 0.00 H new ATOM 0 HH12 ARG A 92 87.455 -17.793 -0.145 1.00 0.00 H new ATOM 0 HH21 ARG A 92 90.106 -16.278 -1.847 1.00 0.00 H new ATOM 0 HH22 ARG A 92 89.429 -17.795 -1.245 1.00 0.00 H new ATOM 1442 N TYR A 93 91.423 -10.679 -0.306 1.00 0.00 N ATOM 1443 CA TYR A 93 92.456 -10.451 -1.352 1.00 0.00 C ATOM 1444 C TYR A 93 93.358 -11.673 -1.489 1.00 0.00 C ATOM 1445 O TYR A 93 93.421 -12.524 -0.625 1.00 0.00 O ATOM 1446 CB TYR A 93 93.321 -9.256 -0.954 1.00 0.00 C ATOM 1447 CG TYR A 93 92.454 -8.032 -0.816 1.00 0.00 C ATOM 1448 CD1 TYR A 93 91.531 -7.941 0.234 1.00 0.00 C ATOM 1449 CD2 TYR A 93 92.569 -6.990 -1.740 1.00 0.00 C ATOM 1450 CE1 TYR A 93 90.727 -6.807 0.358 1.00 0.00 C ATOM 1451 CE2 TYR A 93 91.763 -5.858 -1.615 1.00 0.00 C ATOM 1452 CZ TYR A 93 90.845 -5.766 -0.568 1.00 0.00 C ATOM 1453 OH TYR A 93 90.058 -4.648 -0.449 1.00 0.00 O ATOM 0 H TYR A 93 91.780 -10.734 0.648 1.00 0.00 H new ATOM 0 HA TYR A 93 91.953 -10.264 -2.301 1.00 0.00 H new ATOM 0 HB2 TYR A 93 93.832 -9.461 -0.013 1.00 0.00 H new ATOM 0 HB3 TYR A 93 94.092 -9.086 -1.705 1.00 0.00 H new ATOM 0 HD1 TYR A 93 91.442 -8.748 0.947 1.00 0.00 H new ATOM 0 HD2 TYR A 93 93.280 -7.061 -2.549 1.00 0.00 H new ATOM 0 HE1 TYR A 93 90.015 -6.734 1.167 1.00 0.00 H new ATOM 0 HE2 TYR A 93 91.850 -5.052 -2.329 1.00 0.00 H new ATOM 0 HH TYR A 93 89.997 -4.390 0.494 1.00 0.00 H new ATOM 1463 N LYS A 94 94.076 -11.732 -2.570 1.00 0.00 N ATOM 1464 CA LYS A 94 95.022 -12.851 -2.808 1.00 0.00 C ATOM 1465 C LYS A 94 96.407 -12.235 -2.976 1.00 0.00 C ATOM 1466 O LYS A 94 96.564 -11.230 -3.642 1.00 0.00 O ATOM 1467 CB LYS A 94 94.629 -13.607 -4.085 1.00 0.00 C ATOM 1468 CG LYS A 94 93.790 -14.840 -3.724 1.00 0.00 C ATOM 1469 CD LYS A 94 94.699 -15.950 -3.183 1.00 0.00 C ATOM 1470 CE LYS A 94 93.977 -17.296 -3.285 1.00 0.00 C ATOM 1471 NZ LYS A 94 93.926 -17.726 -4.711 1.00 0.00 N ATOM 0 H LYS A 94 94.046 -11.036 -3.315 1.00 0.00 H new ATOM 0 HA LYS A 94 95.006 -13.557 -1.978 1.00 0.00 H new ATOM 0 HB2 LYS A 94 94.062 -12.952 -4.746 1.00 0.00 H new ATOM 0 HB3 LYS A 94 95.524 -13.911 -4.628 1.00 0.00 H new ATOM 0 HG2 LYS A 94 93.041 -14.575 -2.978 1.00 0.00 H new ATOM 0 HG3 LYS A 94 93.252 -15.195 -4.603 1.00 0.00 H new ATOM 0 HD2 LYS A 94 95.630 -15.981 -3.749 1.00 0.00 H new ATOM 0 HD3 LYS A 94 94.964 -15.745 -2.146 1.00 0.00 H new ATOM 0 HE2 LYS A 94 94.496 -18.045 -2.687 1.00 0.00 H new ATOM 0 HE3 LYS A 94 92.967 -17.210 -2.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 93.842 -18.761 -4.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 93.104 -17.290 -5.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 94.797 -17.427 -5.195 1.00 0.00 H new ATOM 1485 N GLU A 95 97.404 -12.806 -2.366 1.00 0.00 N ATOM 1486 CA GLU A 95 98.769 -12.225 -2.479 1.00 0.00 C ATOM 1487 C GLU A 95 99.511 -12.872 -3.652 1.00 0.00 C ATOM 1488 O GLU A 95 99.626 -14.078 -3.740 1.00 0.00 O ATOM 1489 CB GLU A 95 99.523 -12.467 -1.160 1.00 0.00 C ATOM 1490 CG GLU A 95 100.319 -13.771 -1.232 1.00 0.00 C ATOM 1491 CD GLU A 95 100.818 -14.141 0.166 1.00 0.00 C ATOM 1492 OE1 GLU A 95 100.744 -13.297 1.044 1.00 0.00 O ATOM 1493 OE2 GLU A 95 101.267 -15.263 0.335 1.00 0.00 O ATOM 0 H GLU A 95 97.334 -13.648 -1.795 1.00 0.00 H new ATOM 0 HA GLU A 95 98.706 -11.153 -2.664 1.00 0.00 H new ATOM 0 HB2 GLU A 95 100.196 -11.633 -0.960 1.00 0.00 H new ATOM 0 HB3 GLU A 95 98.815 -12.511 -0.332 1.00 0.00 H new ATOM 0 HG2 GLU A 95 99.693 -14.570 -1.630 1.00 0.00 H new ATOM 0 HG3 GLU A 95 101.163 -13.658 -1.913 1.00 0.00 H new ATOM 1500 N LYS A 96 100.020 -12.077 -4.556 1.00 0.00 N ATOM 1501 CA LYS A 96 100.762 -12.645 -5.719 1.00 0.00 C ATOM 1502 C LYS A 96 102.236 -12.248 -5.607 1.00 0.00 C ATOM 1503 O LYS A 96 102.596 -11.109 -5.805 1.00 0.00 O ATOM 1504 CB LYS A 96 100.172 -12.078 -7.016 1.00 0.00 C ATOM 1505 CG LYS A 96 100.406 -13.062 -8.166 1.00 0.00 C ATOM 1506 CD LYS A 96 101.899 -13.380 -8.274 1.00 0.00 C ATOM 1507 CE LYS A 96 102.185 -14.035 -9.627 1.00 0.00 C ATOM 1508 NZ LYS A 96 101.930 -13.054 -10.719 1.00 0.00 N ATOM 0 H LYS A 96 99.954 -11.059 -4.539 1.00 0.00 H new ATOM 0 HA LYS A 96 100.675 -13.731 -5.727 1.00 0.00 H new ATOM 0 HB2 LYS A 96 99.104 -11.897 -6.892 1.00 0.00 H new ATOM 0 HB3 LYS A 96 100.634 -11.118 -7.247 1.00 0.00 H new ATOM 0 HG2 LYS A 96 99.840 -13.978 -7.995 1.00 0.00 H new ATOM 0 HG3 LYS A 96 100.046 -12.635 -9.102 1.00 0.00 H new ATOM 0 HD2 LYS A 96 102.485 -12.467 -8.169 1.00 0.00 H new ATOM 0 HD3 LYS A 96 102.199 -14.046 -7.465 1.00 0.00 H new ATOM 0 HE2 LYS A 96 103.219 -14.377 -9.666 1.00 0.00 H new ATOM 0 HE3 LYS A 96 101.553 -14.914 -9.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 101.092 -13.347 -11.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 101.766 -12.113 -10.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 102.755 -13.017 -11.352 1.00 0.00 H new ATOM 1522 N ARG A 97 103.087 -13.181 -5.289 1.00 0.00 N ATOM 1523 CA ARG A 97 104.538 -12.857 -5.153 1.00 0.00 C ATOM 1524 C ARG A 97 105.178 -12.657 -6.531 1.00 0.00 C ATOM 1525 O ARG A 97 105.360 -13.595 -7.281 1.00 0.00 O ATOM 1526 CB ARG A 97 105.250 -14.005 -4.430 1.00 0.00 C ATOM 1527 CG ARG A 97 106.757 -13.944 -4.716 1.00 0.00 C ATOM 1528 CD ARG A 97 107.524 -14.704 -3.629 1.00 0.00 C ATOM 1529 NE ARG A 97 108.784 -15.254 -4.204 1.00 0.00 N ATOM 1530 CZ ARG A 97 109.737 -14.447 -4.582 1.00 0.00 C ATOM 1531 NH1 ARG A 97 109.589 -13.157 -4.454 1.00 0.00 N ATOM 1532 NH2 ARG A 97 110.839 -14.930 -5.087 1.00 0.00 N ATOM 0 H ARG A 97 102.843 -14.156 -5.117 1.00 0.00 H new ATOM 0 HA ARG A 97 104.637 -11.935 -4.581 1.00 0.00 H new ATOM 0 HB2 ARG A 97 105.071 -13.938 -3.357 1.00 0.00 H new ATOM 0 HB3 ARG A 97 104.846 -14.962 -4.761 1.00 0.00 H new ATOM 0 HG2 ARG A 97 106.969 -14.377 -5.693 1.00 0.00 H new ATOM 0 HG3 ARG A 97 107.088 -12.906 -4.749 1.00 0.00 H new ATOM 0 HD2 ARG A 97 107.752 -14.038 -2.796 1.00 0.00 H new ATOM 0 HD3 ARG A 97 106.909 -15.512 -3.232 1.00 0.00 H new ATOM 0 HE ARG A 97 108.902 -16.262 -4.302 1.00 0.00 H new ATOM 0 HH11 ARG A 97 108.728 -12.779 -4.058 1.00 0.00 H new ATOM 0 HH12 ARG A 97 110.334 -12.526 -4.750 1.00 0.00 H new ATOM 0 HH21 ARG A 97 110.955 -15.938 -5.186 1.00 0.00 H new ATOM 0 HH22 ARG A 97 111.584 -14.299 -5.383 1.00 0.00 H new ATOM 1546 N GLN A 98 105.547 -11.443 -6.855 1.00 0.00 N ATOM 1547 CA GLN A 98 106.209 -11.180 -8.167 1.00 0.00 C ATOM 1548 C GLN A 98 107.577 -10.542 -7.895 1.00 0.00 C ATOM 1549 O GLN A 98 107.873 -10.159 -6.785 1.00 0.00 O ATOM 1550 CB GLN A 98 105.339 -10.228 -9.003 1.00 0.00 C ATOM 1551 CG GLN A 98 104.644 -11.005 -10.126 1.00 0.00 C ATOM 1552 CD GLN A 98 105.685 -11.503 -11.132 1.00 0.00 C ATOM 1553 OE1 GLN A 98 105.395 -12.350 -11.953 1.00 0.00 O ATOM 1554 NE2 GLN A 98 106.893 -11.009 -11.104 1.00 0.00 N ATOM 0 H GLN A 98 105.417 -10.621 -6.265 1.00 0.00 H new ATOM 0 HA GLN A 98 106.336 -12.110 -8.721 1.00 0.00 H new ATOM 0 HB2 GLN A 98 104.595 -9.748 -8.367 1.00 0.00 H new ATOM 0 HB3 GLN A 98 105.956 -9.435 -9.426 1.00 0.00 H new ATOM 0 HG2 GLN A 98 104.094 -11.849 -9.710 1.00 0.00 H new ATOM 0 HG3 GLN A 98 103.917 -10.366 -10.627 1.00 0.00 H new ATOM 0 HE21 GLN A 98 107.137 -10.298 -10.415 1.00 0.00 H new ATOM 0 HE22 GLN A 98 107.593 -11.334 -11.771 1.00 0.00 H new ATOM 1563 N ASN A 99 108.408 -10.425 -8.895 1.00 0.00 N ATOM 1564 CA ASN A 99 109.754 -9.803 -8.692 1.00 0.00 C ATOM 1565 C ASN A 99 109.958 -8.732 -9.754 1.00 0.00 C ATOM 1566 O ASN A 99 110.139 -9.026 -10.918 1.00 0.00 O ATOM 1567 CB ASN A 99 110.840 -10.873 -8.829 1.00 0.00 C ATOM 1568 CG ASN A 99 110.642 -11.638 -10.139 1.00 0.00 C ATOM 1569 OD1 ASN A 99 109.923 -12.616 -10.182 1.00 0.00 O ATOM 1570 ND2 ASN A 99 111.254 -11.230 -11.217 1.00 0.00 N ATOM 0 H ASN A 99 108.215 -10.733 -9.848 1.00 0.00 H new ATOM 0 HA ASN A 99 109.814 -9.360 -7.698 1.00 0.00 H new ATOM 0 HB2 ASN A 99 111.826 -10.409 -8.812 1.00 0.00 H new ATOM 0 HB3 ASN A 99 110.797 -11.560 -7.984 1.00 0.00 H new ATOM 0 HD21 ASN A 99 111.129 -11.732 -12.096 1.00 0.00 H new ATOM 0 HD22 ASN A 99 111.858 -10.409 -11.181 1.00 0.00 H new ATOM 1577 N LYS A 100 109.928 -7.491 -9.362 1.00 0.00 N ATOM 1578 CA LYS A 100 110.109 -6.396 -10.353 1.00 0.00 C ATOM 1579 C LYS A 100 110.640 -5.155 -9.639 1.00 0.00 C ATOM 1580 O LYS A 100 110.442 -4.977 -8.455 1.00 0.00 O ATOM 1581 CB LYS A 100 108.761 -6.064 -11.014 1.00 0.00 C ATOM 1582 CG LYS A 100 107.881 -7.318 -11.095 1.00 0.00 C ATOM 1583 CD LYS A 100 106.533 -6.954 -11.721 1.00 0.00 C ATOM 1584 CE LYS A 100 105.937 -8.179 -12.419 1.00 0.00 C ATOM 1585 NZ LYS A 100 104.638 -7.809 -13.048 1.00 0.00 N ATOM 0 H LYS A 100 109.786 -7.187 -8.399 1.00 0.00 H new ATOM 0 HA LYS A 100 110.817 -6.714 -11.118 1.00 0.00 H new ATOM 0 HB2 LYS A 100 108.250 -5.290 -10.442 1.00 0.00 H new ATOM 0 HB3 LYS A 100 108.928 -5.664 -12.014 1.00 0.00 H new ATOM 0 HG2 LYS A 100 108.376 -8.085 -11.691 1.00 0.00 H new ATOM 0 HG3 LYS A 100 107.731 -7.735 -10.099 1.00 0.00 H new ATOM 0 HD2 LYS A 100 105.850 -6.594 -10.952 1.00 0.00 H new ATOM 0 HD3 LYS A 100 106.662 -6.143 -12.437 1.00 0.00 H new ATOM 0 HE2 LYS A 100 106.627 -8.551 -13.176 1.00 0.00 H new ATOM 0 HE3 LYS A 100 105.789 -8.984 -11.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 104.233 -8.641 -13.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 103.981 -7.474 -12.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 104.793 -7.054 -13.746 1.00 0.00 H new ATOM 1599 N SER A 101 111.301 -4.289 -10.354 1.00 0.00 N ATOM 1600 CA SER A 101 111.833 -3.054 -9.717 1.00 0.00 C ATOM 1601 C SER A 101 110.703 -2.032 -9.658 1.00 0.00 C ATOM 1602 O SER A 101 110.201 -1.597 -10.669 1.00 0.00 O ATOM 1603 CB SER A 101 112.994 -2.507 -10.550 1.00 0.00 C ATOM 1604 OG SER A 101 113.643 -3.585 -11.212 1.00 0.00 O ATOM 0 H SER A 101 111.496 -4.383 -11.351 1.00 0.00 H new ATOM 0 HA SER A 101 112.199 -3.267 -8.712 1.00 0.00 H new ATOM 0 HB2 SER A 101 112.626 -1.785 -11.279 1.00 0.00 H new ATOM 0 HB3 SER A 101 113.701 -1.980 -9.909 1.00 0.00 H new ATOM 0 HG SER A 101 114.387 -3.239 -11.748 1.00 0.00 H new ATOM 1610 N TYR A 102 110.278 -1.665 -8.483 1.00 0.00 N ATOM 1611 CA TYR A 102 109.152 -0.701 -8.367 1.00 0.00 C ATOM 1612 C TYR A 102 109.671 0.684 -8.061 1.00 0.00 C ATOM 1613 O TYR A 102 110.857 0.920 -8.036 1.00 0.00 O ATOM 1614 CB TYR A 102 108.266 -1.126 -7.204 1.00 0.00 C ATOM 1615 CG TYR A 102 109.141 -1.422 -6.000 1.00 0.00 C ATOM 1616 CD1 TYR A 102 109.964 -0.427 -5.438 1.00 0.00 C ATOM 1617 CD2 TYR A 102 109.122 -2.696 -5.437 1.00 0.00 C ATOM 1618 CE1 TYR A 102 110.759 -0.724 -4.325 1.00 0.00 C ATOM 1619 CE2 TYR A 102 109.910 -2.985 -4.321 1.00 0.00 C ATOM 1620 CZ TYR A 102 110.732 -2.002 -3.767 1.00 0.00 C ATOM 1621 OH TYR A 102 111.512 -2.294 -2.668 1.00 0.00 O ATOM 0 H TYR A 102 110.663 -1.992 -7.597 1.00 0.00 H new ATOM 0 HA TYR A 102 108.602 -0.690 -9.308 1.00 0.00 H new ATOM 0 HB2 TYR A 102 107.552 -0.337 -6.966 1.00 0.00 H new ATOM 0 HB3 TYR A 102 107.687 -2.009 -7.475 1.00 0.00 H new ATOM 0 HD1 TYR A 102 109.982 0.565 -5.866 1.00 0.00 H new ATOM 0 HD2 TYR A 102 108.495 -3.464 -5.866 1.00 0.00 H new ATOM 0 HE1 TYR A 102 111.394 0.038 -3.898 1.00 0.00 H new ATOM 0 HE2 TYR A 102 109.883 -3.973 -3.885 1.00 0.00 H new ATOM 0 HH TYR A 102 111.071 -2.983 -2.128 1.00 0.00 H new ATOM 1631 N VAL A 103 108.774 1.592 -7.792 1.00 0.00 N ATOM 1632 CA VAL A 103 109.190 2.976 -7.439 1.00 0.00 C ATOM 1633 C VAL A 103 108.416 3.429 -6.223 1.00 0.00 C ATOM 1634 O VAL A 103 107.223 3.644 -6.276 1.00 0.00 O ATOM 1635 CB VAL A 103 108.905 3.931 -8.586 1.00 0.00 C ATOM 1636 CG1 VAL A 103 109.972 5.028 -8.626 1.00 0.00 C ATOM 1637 CG2 VAL A 103 108.923 3.150 -9.881 1.00 0.00 C ATOM 0 H VAL A 103 107.767 1.433 -7.802 1.00 0.00 H new ATOM 0 HA VAL A 103 110.261 2.978 -7.234 1.00 0.00 H new ATOM 0 HB VAL A 103 107.929 4.397 -8.447 1.00 0.00 H new ATOM 0 HG11 VAL A 103 109.762 5.710 -9.450 1.00 0.00 H new ATOM 0 HG12 VAL A 103 109.961 5.581 -7.687 1.00 0.00 H new ATOM 0 HG13 VAL A 103 110.953 4.576 -8.770 1.00 0.00 H new ATOM 0 HG21 VAL A 103 108.720 3.823 -10.714 1.00 0.00 H new ATOM 0 HG22 VAL A 103 109.902 2.691 -10.016 1.00 0.00 H new ATOM 0 HG23 VAL A 103 108.160 2.373 -9.848 1.00 0.00 H new ATOM 1647 N VAL A 104 109.090 3.589 -5.133 1.00 0.00 N ATOM 1648 CA VAL A 104 108.401 4.048 -3.903 1.00 0.00 C ATOM 1649 C VAL A 104 108.871 5.471 -3.597 1.00 0.00 C ATOM 1650 O VAL A 104 110.008 5.825 -3.848 1.00 0.00 O ATOM 1651 CB VAL A 104 108.701 3.080 -2.736 1.00 0.00 C ATOM 1652 CG1 VAL A 104 109.653 1.977 -3.205 1.00 0.00 C ATOM 1653 CG2 VAL A 104 109.327 3.829 -1.553 1.00 0.00 C ATOM 0 H VAL A 104 110.092 3.422 -5.036 1.00 0.00 H new ATOM 0 HA VAL A 104 107.320 4.054 -4.043 1.00 0.00 H new ATOM 0 HB VAL A 104 107.760 2.637 -2.410 1.00 0.00 H new ATOM 0 HG11 VAL A 104 109.860 1.299 -2.377 1.00 0.00 H new ATOM 0 HG12 VAL A 104 109.192 1.422 -4.022 1.00 0.00 H new ATOM 0 HG13 VAL A 104 110.586 2.424 -3.550 1.00 0.00 H new ATOM 0 HG21 VAL A 104 109.529 3.127 -0.744 1.00 0.00 H new ATOM 0 HG22 VAL A 104 110.260 4.296 -1.870 1.00 0.00 H new ATOM 0 HG23 VAL A 104 108.638 4.597 -1.203 1.00 0.00 H new ATOM 1663 N ALA A 105 108.004 6.296 -3.071 1.00 0.00 N ATOM 1664 CA ALA A 105 108.405 7.690 -2.760 1.00 0.00 C ATOM 1665 C ALA A 105 108.875 7.745 -1.317 1.00 0.00 C ATOM 1666 O ALA A 105 108.691 6.807 -0.568 1.00 0.00 O ATOM 1667 CB ALA A 105 107.216 8.623 -2.969 1.00 0.00 C ATOM 0 H ALA A 105 107.038 6.060 -2.845 1.00 0.00 H new ATOM 0 HA ALA A 105 109.213 8.009 -3.419 1.00 0.00 H new ATOM 0 HB1 ALA A 105 107.512 9.647 -2.740 1.00 0.00 H new ATOM 0 HB2 ALA A 105 106.885 8.564 -4.006 1.00 0.00 H new ATOM 0 HB3 ALA A 105 106.400 8.326 -2.310 1.00 0.00 H new ATOM 1673 N CYS A 106 109.518 8.809 -0.922 1.00 0.00 N ATOM 1674 CA CYS A 106 110.030 8.866 0.483 1.00 0.00 C ATOM 1675 C CYS A 106 109.600 10.155 1.187 1.00 0.00 C ATOM 1676 O CYS A 106 109.303 11.153 0.562 1.00 0.00 O ATOM 1677 CB CYS A 106 111.558 8.778 0.465 1.00 0.00 C ATOM 1678 SG CYS A 106 112.138 8.711 -1.242 1.00 0.00 S ATOM 0 H CYS A 106 109.710 9.629 -1.497 1.00 0.00 H new ATOM 0 HA CYS A 106 109.608 8.026 1.035 1.00 0.00 H new ATOM 0 HB2 CYS A 106 111.988 9.641 0.973 1.00 0.00 H new ATOM 0 HB3 CYS A 106 111.888 7.892 1.007 1.00 0.00 H new ATOM 1683 N LYS A 107 109.583 10.128 2.498 1.00 0.00 N ATOM 1684 CA LYS A 107 109.188 11.337 3.284 1.00 0.00 C ATOM 1685 C LYS A 107 109.973 11.354 4.605 1.00 0.00 C ATOM 1686 O LYS A 107 110.478 10.335 5.047 1.00 0.00 O ATOM 1687 CB LYS A 107 107.684 11.285 3.603 1.00 0.00 C ATOM 1688 CG LYS A 107 106.867 11.879 2.443 1.00 0.00 C ATOM 1689 CD LYS A 107 106.590 13.368 2.696 1.00 0.00 C ATOM 1690 CE LYS A 107 105.605 13.534 3.863 1.00 0.00 C ATOM 1691 NZ LYS A 107 104.723 14.705 3.600 1.00 0.00 N ATOM 0 H LYS A 107 109.828 9.313 3.060 1.00 0.00 H new ATOM 0 HA LYS A 107 109.406 12.232 2.701 1.00 0.00 H new ATOM 0 HB2 LYS A 107 107.379 10.254 3.780 1.00 0.00 H new ATOM 0 HB3 LYS A 107 107.481 11.839 4.520 1.00 0.00 H new ATOM 0 HG2 LYS A 107 107.411 11.757 1.506 1.00 0.00 H new ATOM 0 HG3 LYS A 107 105.926 11.339 2.338 1.00 0.00 H new ATOM 0 HD2 LYS A 107 107.522 13.886 2.921 1.00 0.00 H new ATOM 0 HD3 LYS A 107 106.180 13.827 1.796 1.00 0.00 H new ATOM 0 HE2 LYS A 107 105.005 12.631 3.979 1.00 0.00 H new ATOM 0 HE3 LYS A 107 106.150 13.677 4.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 104.055 14.820 4.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 105.303 15.563 3.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 104.194 14.550 2.718 1.00 0.00 H new ATOM 1705 N PRO A 108 110.067 12.496 5.241 1.00 0.00 N ATOM 1706 CA PRO A 108 110.785 12.626 6.540 1.00 0.00 C ATOM 1707 C PRO A 108 110.074 11.849 7.664 1.00 0.00 C ATOM 1708 O PRO A 108 108.868 11.917 7.797 1.00 0.00 O ATOM 1709 CB PRO A 108 110.762 14.135 6.846 1.00 0.00 C ATOM 1710 CG PRO A 108 110.328 14.808 5.583 1.00 0.00 C ATOM 1711 CD PRO A 108 109.512 13.784 4.800 1.00 0.00 C ATOM 0 HA PRO A 108 111.794 12.217 6.480 1.00 0.00 H new ATOM 0 HB2 PRO A 108 110.074 14.357 7.662 1.00 0.00 H new ATOM 0 HB3 PRO A 108 111.747 14.485 7.155 1.00 0.00 H new ATOM 0 HG2 PRO A 108 109.731 15.693 5.801 1.00 0.00 H new ATOM 0 HG3 PRO A 108 111.190 15.140 5.005 1.00 0.00 H new ATOM 0 HD2 PRO A 108 108.448 13.861 5.025 1.00 0.00 H new ATOM 0 HD3 PRO A 108 109.621 13.921 3.724 1.00 0.00 H new ATOM 1719 N PRO A 109 110.811 11.132 8.475 1.00 0.00 N ATOM 1720 CA PRO A 109 110.229 10.356 9.607 1.00 0.00 C ATOM 1721 C PRO A 109 109.270 11.223 10.434 1.00 0.00 C ATOM 1722 O PRO A 109 109.690 12.049 11.219 1.00 0.00 O ATOM 1723 CB PRO A 109 111.453 9.942 10.439 1.00 0.00 C ATOM 1724 CG PRO A 109 112.630 10.021 9.523 1.00 0.00 C ATOM 1725 CD PRO A 109 112.270 10.992 8.400 1.00 0.00 C ATOM 0 HA PRO A 109 109.641 9.502 9.271 1.00 0.00 H new ATOM 0 HB2 PRO A 109 111.582 10.603 11.296 1.00 0.00 H new ATOM 0 HB3 PRO A 109 111.333 8.932 10.831 1.00 0.00 H new ATOM 0 HG2 PRO A 109 113.513 10.367 10.061 1.00 0.00 H new ATOM 0 HG3 PRO A 109 112.868 9.037 9.118 1.00 0.00 H new ATOM 0 HD2 PRO A 109 112.767 11.953 8.534 1.00 0.00 H new ATOM 0 HD3 PRO A 109 112.580 10.606 7.429 1.00 0.00 H new ATOM 1733 N GLN A 110 107.985 11.052 10.252 1.00 0.00 N ATOM 1734 CA GLN A 110 107.004 11.878 11.015 1.00 0.00 C ATOM 1735 C GLN A 110 107.395 11.915 12.491 1.00 0.00 C ATOM 1736 O GLN A 110 108.229 12.694 12.908 1.00 0.00 O ATOM 1737 CB GLN A 110 105.607 11.266 10.885 1.00 0.00 C ATOM 1738 CG GLN A 110 105.239 11.129 9.409 1.00 0.00 C ATOM 1739 CD GLN A 110 104.868 12.501 8.842 1.00 0.00 C ATOM 1740 OE1 GLN A 110 103.714 12.882 8.850 1.00 0.00 O ATOM 1741 NE2 GLN A 110 105.803 13.264 8.348 1.00 0.00 N ATOM 0 H GLN A 110 107.574 10.376 9.608 1.00 0.00 H new ATOM 0 HA GLN A 110 107.003 12.891 10.612 1.00 0.00 H new ATOM 0 HB2 GLN A 110 105.581 10.289 11.368 1.00 0.00 H new ATOM 0 HB3 GLN A 110 104.876 11.893 11.395 1.00 0.00 H new ATOM 0 HG2 GLN A 110 106.077 10.709 8.853 1.00 0.00 H new ATOM 0 HG3 GLN A 110 104.403 10.439 9.295 1.00 0.00 H new ATOM 0 HE21 GLN A 110 106.772 12.944 8.341 1.00 0.00 H new ATOM 0 HE22 GLN A 110 105.566 14.181 7.968 1.00 0.00 H new ATOM 1750 N LYS A 111 106.792 11.073 13.281 1.00 0.00 N ATOM 1751 CA LYS A 111 107.108 11.032 14.733 1.00 0.00 C ATOM 1752 C LYS A 111 107.383 9.585 15.122 1.00 0.00 C ATOM 1753 O LYS A 111 108.201 9.304 15.975 1.00 0.00 O ATOM 1754 CB LYS A 111 105.917 11.564 15.534 1.00 0.00 C ATOM 1755 CG LYS A 111 104.644 10.803 15.142 1.00 0.00 C ATOM 1756 CD LYS A 111 103.415 11.661 15.449 1.00 0.00 C ATOM 1757 CE LYS A 111 103.299 11.868 16.960 1.00 0.00 C ATOM 1758 NZ LYS A 111 101.974 12.472 17.279 1.00 0.00 N ATOM 0 H LYS A 111 106.085 10.403 12.978 1.00 0.00 H new ATOM 0 HA LYS A 111 107.980 11.651 14.946 1.00 0.00 H new ATOM 0 HB2 LYS A 111 106.105 11.450 16.602 1.00 0.00 H new ATOM 0 HB3 LYS A 111 105.787 12.630 15.345 1.00 0.00 H new ATOM 0 HG2 LYS A 111 104.670 10.554 14.081 1.00 0.00 H new ATOM 0 HG3 LYS A 111 104.588 9.862 15.689 1.00 0.00 H new ATOM 0 HD2 LYS A 111 103.496 12.624 14.945 1.00 0.00 H new ATOM 0 HD3 LYS A 111 102.516 11.176 15.068 1.00 0.00 H new ATOM 0 HE2 LYS A 111 103.410 10.915 17.478 1.00 0.00 H new ATOM 0 HE3 LYS A 111 104.101 12.518 17.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 101.895 12.613 18.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 101.885 13.389 16.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 101.216 11.836 16.957 1.00 0.00 H new ATOM 1772 N LYS A 112 106.715 8.658 14.490 1.00 0.00 N ATOM 1773 CA LYS A 112 106.955 7.234 14.814 1.00 0.00 C ATOM 1774 C LYS A 112 108.409 6.903 14.471 1.00 0.00 C ATOM 1775 O LYS A 112 109.055 6.145 15.164 1.00 0.00 O ATOM 1776 CB LYS A 112 105.993 6.357 13.997 1.00 0.00 C ATOM 1777 CG LYS A 112 105.436 5.239 14.877 1.00 0.00 C ATOM 1778 CD LYS A 112 106.527 4.197 15.134 1.00 0.00 C ATOM 1779 CE LYS A 112 105.936 3.021 15.915 1.00 0.00 C ATOM 1780 NZ LYS A 112 105.704 3.431 17.329 1.00 0.00 N ATOM 0 H LYS A 112 106.017 8.830 13.767 1.00 0.00 H new ATOM 0 HA LYS A 112 106.779 7.044 15.873 1.00 0.00 H new ATOM 0 HB2 LYS A 112 105.177 6.964 13.605 1.00 0.00 H new ATOM 0 HB3 LYS A 112 106.514 5.932 13.139 1.00 0.00 H new ATOM 0 HG2 LYS A 112 105.081 5.649 15.822 1.00 0.00 H new ATOM 0 HG3 LYS A 112 104.580 4.772 14.390 1.00 0.00 H new ATOM 0 HD2 LYS A 112 106.941 3.848 14.188 1.00 0.00 H new ATOM 0 HD3 LYS A 112 107.347 4.645 15.695 1.00 0.00 H new ATOM 0 HE2 LYS A 112 104.999 2.702 15.459 1.00 0.00 H new ATOM 0 HE3 LYS A 112 106.614 2.169 15.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 105.448 2.597 17.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 106.571 3.857 17.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 104.931 4.125 17.367 1.00 0.00 H new ATOM 1794 N ASP A 113 108.926 7.493 13.415 1.00 0.00 N ATOM 1795 CA ASP A 113 110.348 7.254 13.013 1.00 0.00 C ATOM 1796 C ASP A 113 110.878 5.948 13.606 1.00 0.00 C ATOM 1797 O ASP A 113 111.259 5.889 14.759 1.00 0.00 O ATOM 1798 CB ASP A 113 111.205 8.413 13.518 1.00 0.00 C ATOM 1799 CG ASP A 113 112.670 8.137 13.189 1.00 0.00 C ATOM 1800 OD1 ASP A 113 112.927 7.633 12.109 1.00 0.00 O ATOM 1801 OD2 ASP A 113 113.509 8.431 14.024 1.00 0.00 O ATOM 0 H ASP A 113 108.415 8.136 12.810 1.00 0.00 H new ATOM 0 HA ASP A 113 110.394 7.183 11.926 1.00 0.00 H new ATOM 0 HB2 ASP A 113 110.886 9.346 13.054 1.00 0.00 H new ATOM 0 HB3 ASP A 113 111.078 8.533 14.594 1.00 0.00 H new ATOM 1806 N SER A 114 110.918 4.905 12.830 1.00 0.00 N ATOM 1807 CA SER A 114 111.433 3.618 13.361 1.00 0.00 C ATOM 1808 C SER A 114 112.889 3.794 13.797 1.00 0.00 C ATOM 1809 O SER A 114 113.374 3.092 14.661 1.00 0.00 O ATOM 1810 CB SER A 114 111.327 2.534 12.282 1.00 0.00 C ATOM 1811 OG SER A 114 110.235 1.678 12.587 1.00 0.00 O ATOM 0 H SER A 114 110.618 4.888 11.855 1.00 0.00 H new ATOM 0 HA SER A 114 110.839 3.313 14.222 1.00 0.00 H new ATOM 0 HB2 SER A 114 111.184 2.991 11.303 1.00 0.00 H new ATOM 0 HB3 SER A 114 112.252 1.960 12.234 1.00 0.00 H new ATOM 0 HG SER A 114 110.161 0.984 11.899 1.00 0.00 H new ATOM 1817 N GLN A 115 113.585 4.731 13.213 1.00 0.00 N ATOM 1818 CA GLN A 115 115.009 4.954 13.599 1.00 0.00 C ATOM 1819 C GLN A 115 115.394 6.411 13.342 1.00 0.00 C ATOM 1820 O GLN A 115 115.876 7.095 14.220 1.00 0.00 O ATOM 1821 CB GLN A 115 115.929 4.051 12.765 1.00 0.00 C ATOM 1822 CG GLN A 115 115.306 2.664 12.602 1.00 0.00 C ATOM 1823 CD GLN A 115 116.276 1.757 11.843 1.00 0.00 C ATOM 1824 OE1 GLN A 115 117.428 1.637 12.211 1.00 0.00 O ATOM 1825 NE2 GLN A 115 115.857 1.108 10.791 1.00 0.00 N ATOM 0 H GLN A 115 113.230 5.352 12.486 1.00 0.00 H new ATOM 0 HA GLN A 115 115.122 4.719 14.657 1.00 0.00 H new ATOM 0 HB2 GLN A 115 116.098 4.498 11.786 1.00 0.00 H new ATOM 0 HB3 GLN A 115 116.902 3.965 13.249 1.00 0.00 H new ATOM 0 HG2 GLN A 115 115.081 2.237 13.579 1.00 0.00 H new ATOM 0 HG3 GLN A 115 114.362 2.738 12.062 1.00 0.00 H new ATOM 0 HE21 GLN A 115 114.890 1.208 10.482 1.00 0.00 H new ATOM 0 HE22 GLN A 115 116.496 0.501 10.278 1.00 0.00 H new ATOM 1834 N GLN A 116 115.196 6.879 12.135 1.00 0.00 N ATOM 1835 CA GLN A 116 115.566 8.294 11.792 1.00 0.00 C ATOM 1836 C GLN A 116 115.677 8.452 10.271 1.00 0.00 C ATOM 1837 O GLN A 116 115.665 9.551 9.756 1.00 0.00 O ATOM 1838 CB GLN A 116 116.929 8.640 12.408 1.00 0.00 C ATOM 1839 CG GLN A 116 117.910 7.482 12.170 1.00 0.00 C ATOM 1840 CD GLN A 116 119.337 8.027 12.074 1.00 0.00 C ATOM 1841 OE1 GLN A 116 119.569 9.049 11.459 1.00 0.00 O ATOM 1842 NE2 GLN A 116 120.310 7.383 12.659 1.00 0.00 N ATOM 0 H GLN A 116 114.793 6.343 11.367 1.00 0.00 H new ATOM 0 HA GLN A 116 114.795 8.957 12.184 1.00 0.00 H new ATOM 0 HB2 GLN A 116 117.318 9.557 11.964 1.00 0.00 H new ATOM 0 HB3 GLN A 116 116.820 8.824 13.477 1.00 0.00 H new ATOM 0 HG2 GLN A 116 117.840 6.760 12.984 1.00 0.00 H new ATOM 0 HG3 GLN A 116 117.649 6.954 11.253 1.00 0.00 H new ATOM 0 HE21 GLN A 116 120.116 6.525 13.175 1.00 0.00 H new ATOM 0 HE22 GLN A 116 121.265 7.738 12.600 1.00 0.00 H new ATOM 1851 N PHE A 117 115.805 7.358 9.562 1.00 0.00 N ATOM 1852 CA PHE A 117 115.943 7.394 8.066 1.00 0.00 C ATOM 1853 C PHE A 117 116.145 8.820 7.543 1.00 0.00 C ATOM 1854 O PHE A 117 117.235 9.185 7.155 1.00 0.00 O ATOM 1855 CB PHE A 117 114.694 6.804 7.420 1.00 0.00 C ATOM 1856 CG PHE A 117 114.284 5.562 8.169 1.00 0.00 C ATOM 1857 CD1 PHE A 117 113.620 5.672 9.394 1.00 0.00 C ATOM 1858 CD2 PHE A 117 114.568 4.300 7.637 1.00 0.00 C ATOM 1859 CE1 PHE A 117 113.237 4.521 10.086 1.00 0.00 C ATOM 1860 CE2 PHE A 117 114.187 3.147 8.330 1.00 0.00 C ATOM 1861 CZ PHE A 117 113.520 3.257 9.555 1.00 0.00 C ATOM 0 H PHE A 117 115.820 6.420 9.963 1.00 0.00 H new ATOM 0 HA PHE A 117 116.823 6.807 7.805 1.00 0.00 H new ATOM 0 HB2 PHE A 117 113.885 7.534 7.433 1.00 0.00 H new ATOM 0 HB3 PHE A 117 114.890 6.564 6.375 1.00 0.00 H new ATOM 0 HD1 PHE A 117 113.403 6.647 9.805 1.00 0.00 H new ATOM 0 HD2 PHE A 117 115.082 4.216 6.691 1.00 0.00 H new ATOM 0 HE1 PHE A 117 112.722 4.606 11.032 1.00 0.00 H new ATOM 0 HE2 PHE A 117 114.407 2.172 7.920 1.00 0.00 H new ATOM 0 HZ PHE A 117 113.224 2.367 10.091 1.00 0.00 H new ATOM 1871 N HIS A 118 115.089 9.604 7.496 1.00 0.00 N ATOM 1872 CA HIS A 118 115.178 11.008 6.960 1.00 0.00 C ATOM 1873 C HIS A 118 114.634 10.988 5.536 1.00 0.00 C ATOM 1874 O HIS A 118 114.848 11.891 4.752 1.00 0.00 O ATOM 1875 CB HIS A 118 116.626 11.520 6.951 1.00 0.00 C ATOM 1876 CG HIS A 118 116.625 13.018 6.802 1.00 0.00 C ATOM 1877 ND1 HIS A 118 115.463 13.736 6.557 1.00 0.00 N ATOM 1878 CD2 HIS A 118 117.635 13.946 6.861 1.00 0.00 C ATOM 1879 CE1 HIS A 118 115.799 15.037 6.479 1.00 0.00 C ATOM 1880 NE2 HIS A 118 117.109 15.217 6.656 1.00 0.00 N ATOM 0 H HIS A 118 114.158 9.329 7.810 1.00 0.00 H new ATOM 0 HA HIS A 118 114.602 11.678 7.599 1.00 0.00 H new ATOM 0 HB2 HIS A 118 117.130 11.236 7.875 1.00 0.00 H new ATOM 0 HB3 HIS A 118 117.180 11.062 6.132 1.00 0.00 H new ATOM 0 HD2 HIS A 118 118.677 13.723 7.039 1.00 0.00 H new ATOM 0 HE1 HIS A 118 115.096 15.836 6.296 1.00 0.00 H new ATOM 0 HE2 HIS A 118 117.618 16.101 6.644 1.00 0.00 H new ATOM 1889 N LEU A 119 113.931 9.937 5.217 1.00 0.00 N ATOM 1890 CA LEU A 119 113.340 9.765 3.854 1.00 0.00 C ATOM 1891 C LEU A 119 112.612 8.424 3.840 1.00 0.00 C ATOM 1892 O LEU A 119 112.568 7.723 2.857 1.00 0.00 O ATOM 1893 CB LEU A 119 114.461 9.811 2.785 1.00 0.00 C ATOM 1894 CG LEU A 119 115.218 8.456 2.597 1.00 0.00 C ATOM 1895 CD1 LEU A 119 115.109 7.534 3.824 1.00 0.00 C ATOM 1896 CD2 LEU A 119 114.699 7.708 1.353 1.00 0.00 C ATOM 0 H LEU A 119 113.735 9.169 5.859 1.00 0.00 H new ATOM 0 HA LEU A 119 112.639 10.567 3.622 1.00 0.00 H new ATOM 0 HB2 LEU A 119 114.026 10.108 1.830 1.00 0.00 H new ATOM 0 HB3 LEU A 119 115.180 10.582 3.061 1.00 0.00 H new ATOM 0 HG LEU A 119 116.269 8.713 2.466 1.00 0.00 H new ATOM 0 HD11 LEU A 119 115.654 6.609 3.634 1.00 0.00 H new ATOM 0 HD12 LEU A 119 115.535 8.034 4.694 1.00 0.00 H new ATOM 0 HD13 LEU A 119 114.061 7.305 4.015 1.00 0.00 H new ATOM 0 HD21 LEU A 119 115.240 6.768 1.242 1.00 0.00 H new ATOM 0 HD22 LEU A 119 113.635 7.503 1.469 1.00 0.00 H new ATOM 0 HD23 LEU A 119 114.855 8.323 0.467 1.00 0.00 H new ATOM 1908 N VAL A 120 112.067 8.069 4.964 1.00 0.00 N ATOM 1909 CA VAL A 120 111.357 6.769 5.117 1.00 0.00 C ATOM 1910 C VAL A 120 110.595 6.395 3.835 1.00 0.00 C ATOM 1911 O VAL A 120 110.205 7.254 3.073 1.00 0.00 O ATOM 1912 CB VAL A 120 110.396 6.909 6.299 1.00 0.00 C ATOM 1913 CG1 VAL A 120 111.201 7.322 7.535 1.00 0.00 C ATOM 1914 CG2 VAL A 120 109.337 7.987 5.999 1.00 0.00 C ATOM 0 H VAL A 120 112.083 8.641 5.809 1.00 0.00 H new ATOM 0 HA VAL A 120 112.075 5.969 5.299 1.00 0.00 H new ATOM 0 HB VAL A 120 109.891 5.959 6.473 1.00 0.00 H new ATOM 0 HG11 VAL A 120 110.530 7.426 8.388 1.00 0.00 H new ATOM 0 HG12 VAL A 120 111.949 6.560 7.753 1.00 0.00 H new ATOM 0 HG13 VAL A 120 111.697 8.274 7.345 1.00 0.00 H new ATOM 0 HG21 VAL A 120 108.659 8.077 6.848 1.00 0.00 H new ATOM 0 HG22 VAL A 120 109.830 8.943 5.825 1.00 0.00 H new ATOM 0 HG23 VAL A 120 108.771 7.704 5.111 1.00 0.00 H new ATOM 1924 N PRO A 121 110.371 5.115 3.604 1.00 0.00 N ATOM 1925 CA PRO A 121 109.632 4.639 2.406 1.00 0.00 C ATOM 1926 C PRO A 121 108.138 4.835 2.625 1.00 0.00 C ATOM 1927 O PRO A 121 107.488 4.068 3.308 1.00 0.00 O ATOM 1928 CB PRO A 121 110.002 3.158 2.310 1.00 0.00 C ATOM 1929 CG PRO A 121 110.304 2.738 3.710 1.00 0.00 C ATOM 1930 CD PRO A 121 110.786 3.988 4.459 1.00 0.00 C ATOM 0 HA PRO A 121 109.882 5.175 1.490 1.00 0.00 H new ATOM 0 HB2 PRO A 121 109.182 2.574 1.892 1.00 0.00 H new ATOM 0 HB3 PRO A 121 110.864 3.009 1.660 1.00 0.00 H new ATOM 0 HG2 PRO A 121 109.417 2.320 4.187 1.00 0.00 H new ATOM 0 HG3 PRO A 121 111.069 1.961 3.723 1.00 0.00 H new ATOM 0 HD2 PRO A 121 110.336 4.055 5.450 1.00 0.00 H new ATOM 0 HD3 PRO A 121 111.867 3.974 4.600 1.00 0.00 H new ATOM 1938 N VAL A 122 107.611 5.902 2.110 1.00 0.00 N ATOM 1939 CA VAL A 122 106.181 6.221 2.342 1.00 0.00 C ATOM 1940 C VAL A 122 105.268 5.667 1.242 1.00 0.00 C ATOM 1941 O VAL A 122 104.586 4.688 1.440 1.00 0.00 O ATOM 1942 CB VAL A 122 106.044 7.754 2.457 1.00 0.00 C ATOM 1943 CG1 VAL A 122 107.274 8.419 1.854 1.00 0.00 C ATOM 1944 CG2 VAL A 122 104.808 8.262 1.718 1.00 0.00 C ATOM 0 H VAL A 122 108.114 6.575 1.532 1.00 0.00 H new ATOM 0 HA VAL A 122 105.858 5.740 3.265 1.00 0.00 H new ATOM 0 HB VAL A 122 105.948 8.002 3.514 1.00 0.00 H new ATOM 0 HG11 VAL A 122 107.179 9.502 1.935 1.00 0.00 H new ATOM 0 HG12 VAL A 122 108.164 8.092 2.391 1.00 0.00 H new ATOM 0 HG13 VAL A 122 107.361 8.140 0.804 1.00 0.00 H new ATOM 0 HG21 VAL A 122 104.743 9.345 1.820 1.00 0.00 H new ATOM 0 HG22 VAL A 122 104.882 8.001 0.662 1.00 0.00 H new ATOM 0 HG23 VAL A 122 103.916 7.803 2.143 1.00 0.00 H new ATOM 1954 N HIS A 123 105.188 6.317 0.119 1.00 0.00 N ATOM 1955 CA HIS A 123 104.238 5.856 -0.933 1.00 0.00 C ATOM 1956 C HIS A 123 104.893 4.930 -1.950 1.00 0.00 C ATOM 1957 O HIS A 123 106.087 4.717 -1.962 1.00 0.00 O ATOM 1958 CB HIS A 123 103.682 7.080 -1.664 1.00 0.00 C ATOM 1959 CG HIS A 123 102.458 6.691 -2.448 1.00 0.00 C ATOM 1960 ND1 HIS A 123 102.539 6.114 -3.709 1.00 0.00 N ATOM 1961 CD2 HIS A 123 101.118 6.792 -2.167 1.00 0.00 C ATOM 1962 CE1 HIS A 123 101.281 5.893 -4.135 1.00 0.00 C ATOM 1963 NE2 HIS A 123 100.381 6.288 -3.233 1.00 0.00 N ATOM 0 H HIS A 123 105.735 7.144 -0.118 1.00 0.00 H new ATOM 0 HA HIS A 123 103.447 5.292 -0.439 1.00 0.00 H new ATOM 0 HB2 HIS A 123 103.433 7.862 -0.946 1.00 0.00 H new ATOM 0 HB3 HIS A 123 104.438 7.491 -2.333 1.00 0.00 H new ATOM 0 HD2 HIS A 123 100.701 7.200 -1.258 1.00 0.00 H new ATOM 0 HE1 HIS A 123 101.032 5.451 -5.088 1.00 0.00 H new ATOM 0 HE2 HIS A 123 99.365 6.232 -3.309 1.00 0.00 H new ATOM 1972 N LEU A 124 104.080 4.401 -2.818 1.00 0.00 N ATOM 1973 CA LEU A 124 104.558 3.502 -3.895 1.00 0.00 C ATOM 1974 C LEU A 124 104.192 4.168 -5.221 1.00 0.00 C ATOM 1975 O LEU A 124 103.035 4.234 -5.587 1.00 0.00 O ATOM 1976 CB LEU A 124 103.853 2.150 -3.777 1.00 0.00 C ATOM 1977 CG LEU A 124 104.306 1.224 -4.929 1.00 0.00 C ATOM 1978 CD1 LEU A 124 105.123 0.050 -4.374 1.00 0.00 C ATOM 1979 CD2 LEU A 124 103.080 0.686 -5.687 1.00 0.00 C ATOM 0 H LEU A 124 103.073 4.562 -2.823 1.00 0.00 H new ATOM 0 HA LEU A 124 105.633 3.336 -3.828 1.00 0.00 H new ATOM 0 HB2 LEU A 124 104.085 1.691 -2.816 1.00 0.00 H new ATOM 0 HB3 LEU A 124 102.772 2.288 -3.812 1.00 0.00 H new ATOM 0 HG LEU A 124 104.928 1.800 -5.614 1.00 0.00 H new ATOM 0 HD11 LEU A 124 105.436 -0.595 -5.195 1.00 0.00 H new ATOM 0 HD12 LEU A 124 106.003 0.432 -3.856 1.00 0.00 H new ATOM 0 HD13 LEU A 124 104.511 -0.522 -3.676 1.00 0.00 H new ATOM 0 HD21 LEU A 124 103.410 0.035 -6.497 1.00 0.00 H new ATOM 0 HD22 LEU A 124 102.448 0.121 -5.002 1.00 0.00 H new ATOM 0 HD23 LEU A 124 102.513 1.520 -6.100 1.00 0.00 H new ATOM 1991 N ASP A 125 105.150 4.694 -5.931 1.00 0.00 N ATOM 1992 CA ASP A 125 104.814 5.383 -7.206 1.00 0.00 C ATOM 1993 C ASP A 125 104.293 4.370 -8.225 1.00 0.00 C ATOM 1994 O ASP A 125 103.310 4.611 -8.897 1.00 0.00 O ATOM 1995 CB ASP A 125 106.062 6.090 -7.752 1.00 0.00 C ATOM 1996 CG ASP A 125 105.791 7.592 -7.876 1.00 0.00 C ATOM 1997 OD1 ASP A 125 105.225 8.149 -6.950 1.00 0.00 O ATOM 1998 OD2 ASP A 125 106.153 8.157 -8.894 1.00 0.00 O ATOM 0 H ASP A 125 106.140 4.677 -5.687 1.00 0.00 H new ATOM 0 HA ASP A 125 104.036 6.124 -7.022 1.00 0.00 H new ATOM 0 HB2 ASP A 125 106.909 5.917 -7.089 1.00 0.00 H new ATOM 0 HB3 ASP A 125 106.329 5.677 -8.725 1.00 0.00 H new ATOM 2003 N ARG A 126 104.937 3.244 -8.355 1.00 0.00 N ATOM 2004 CA ARG A 126 104.459 2.240 -9.344 1.00 0.00 C ATOM 2005 C ARG A 126 105.298 0.971 -9.262 1.00 0.00 C ATOM 2006 O ARG A 126 106.223 0.870 -8.485 1.00 0.00 O ATOM 2007 CB ARG A 126 104.575 2.814 -10.755 1.00 0.00 C ATOM 2008 CG ARG A 126 105.995 3.339 -11.000 1.00 0.00 C ATOM 2009 CD ARG A 126 105.961 4.432 -12.071 1.00 0.00 C ATOM 2010 NE ARG A 126 105.128 5.571 -11.592 1.00 0.00 N ATOM 2011 CZ ARG A 126 105.241 6.743 -12.154 1.00 0.00 C ATOM 2012 NH1 ARG A 126 106.082 6.918 -13.136 1.00 0.00 N ATOM 2013 NH2 ARG A 126 104.511 7.741 -11.734 1.00 0.00 N ATOM 0 H ARG A 126 105.766 2.977 -7.824 1.00 0.00 H new ATOM 0 HA ARG A 126 103.419 2.002 -9.119 1.00 0.00 H new ATOM 0 HB2 ARG A 126 104.332 2.045 -11.489 1.00 0.00 H new ATOM 0 HB3 ARG A 126 103.854 3.620 -10.888 1.00 0.00 H new ATOM 0 HG2 ARG A 126 106.412 3.736 -10.074 1.00 0.00 H new ATOM 0 HG3 ARG A 126 106.645 2.524 -11.318 1.00 0.00 H new ATOM 0 HD2 ARG A 126 106.973 4.774 -12.289 1.00 0.00 H new ATOM 0 HD3 ARG A 126 105.552 4.034 -13.000 1.00 0.00 H new ATOM 0 HE ARG A 126 104.470 5.434 -10.825 1.00 0.00 H new ATOM 0 HH11 ARG A 126 106.652 6.138 -13.465 1.00 0.00 H new ATOM 0 HH12 ARG A 126 106.170 7.834 -13.575 1.00 0.00 H new ATOM 0 HH21 ARG A 126 103.853 7.604 -10.967 1.00 0.00 H new ATOM 0 HH22 ARG A 126 104.599 8.657 -12.173 1.00 0.00 H new ATOM 2027 N VAL A 127 104.976 0.003 -10.075 1.00 0.00 N ATOM 2028 CA VAL A 127 105.746 -1.271 -10.080 1.00 0.00 C ATOM 2029 C VAL A 127 106.354 -1.460 -11.472 1.00 0.00 C ATOM 2030 O VAL A 127 105.684 -1.316 -12.475 1.00 0.00 O ATOM 2031 CB VAL A 127 104.810 -2.437 -9.743 1.00 0.00 C ATOM 2032 CG1 VAL A 127 105.562 -3.460 -8.890 1.00 0.00 C ATOM 2033 CG2 VAL A 127 103.611 -1.907 -8.952 1.00 0.00 C ATOM 0 H VAL A 127 104.205 0.041 -10.742 1.00 0.00 H new ATOM 0 HA VAL A 127 106.540 -1.240 -9.334 1.00 0.00 H new ATOM 0 HB VAL A 127 104.466 -2.909 -10.663 1.00 0.00 H new ATOM 0 HG11 VAL A 127 104.899 -4.291 -8.649 1.00 0.00 H new ATOM 0 HG12 VAL A 127 106.423 -3.833 -9.444 1.00 0.00 H new ATOM 0 HG13 VAL A 127 105.901 -2.987 -7.968 1.00 0.00 H new ATOM 0 HG21 VAL A 127 102.942 -2.732 -8.709 1.00 0.00 H new ATOM 0 HG22 VAL A 127 103.960 -1.440 -8.031 1.00 0.00 H new ATOM 0 HG23 VAL A 127 103.076 -1.170 -9.552 1.00 0.00 H new ATOM 2043 N LEU A 128 107.623 -1.761 -11.542 1.00 0.00 N ATOM 2044 CA LEU A 128 108.287 -1.936 -12.869 1.00 0.00 C ATOM 2045 C LEU A 128 108.900 -3.336 -12.951 1.00 0.00 C ATOM 2046 O LEU A 128 108.367 -4.151 -13.687 1.00 0.00 O ATOM 2047 CB LEU A 128 109.393 -0.875 -13.016 1.00 0.00 C ATOM 2048 CG LEU A 128 109.326 -0.213 -14.396 1.00 0.00 C ATOM 2049 CD1 LEU A 128 109.448 -1.282 -15.485 1.00 0.00 C ATOM 2050 CD2 LEU A 128 107.997 0.544 -14.547 1.00 0.00 C ATOM 2051 OXT LEU A 128 109.891 -3.568 -12.279 1.00 0.00 O ATOM 0 H LEU A 128 108.232 -1.894 -10.735 1.00 0.00 H new ATOM 0 HA LEU A 128 107.557 -1.819 -13.669 1.00 0.00 H new ATOM 0 HB2 LEU A 128 109.285 -0.119 -12.238 1.00 0.00 H new ATOM 0 HB3 LEU A 128 110.370 -1.338 -12.876 1.00 0.00 H new ATOM 0 HG LEU A 128 110.149 0.495 -14.497 1.00 0.00 H new ATOM 0 HD11 LEU A 128 109.400 -0.809 -16.466 1.00 0.00 H new ATOM 0 HD12 LEU A 128 110.400 -1.802 -15.379 1.00 0.00 H new ATOM 0 HD13 LEU A 128 108.631 -1.997 -15.386 1.00 0.00 H new ATOM 0 HD21 LEU A 128 107.955 1.013 -15.530 1.00 0.00 H new ATOM 0 HD22 LEU A 128 107.167 -0.154 -14.442 1.00 0.00 H new ATOM 0 HD23 LEU A 128 107.926 1.311 -13.776 1.00 0.00 H new