USER MOD reduce.3.24.130724 H: found=0, std=0, add=1090, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 1088 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: B 117 SER OG : rot 130:sc= -0.0723 USER MOD Set 1.2: B 119 HIS : no HE2:sc= -1.49 K(o=-1.6,f=-4.7!) USER MOD Set 2.1: B 110 ASN : amide:sc= -0.46 K(o=-0.4,f=-3.4!) USER MOD Set 2.2: B 112 LYS NZ :NH3+ -119:sc= 0.0576 (180deg=0) USER MOD Set 3.1: B 97 ASN : amide:sc= 0.963 K(o=2.1,f=-1.3) USER MOD Set 3.2: B 104 TYR OH : rot 175:sc= 1.14 USER MOD Set 4.1: B 84 THR OG1 : rot 153:sc= 2.01 USER MOD Set 4.2: B 111 LYS NZ :NH3+ -174:sc= 0.91 (180deg=0) USER MOD Set 5.1: B 77 HIS : no HD1:sc= 0.344 K(o=1.5,f=-3.6!) USER MOD Set 5.2: B 137 TYR OH : rot 8:sc= 1.13 USER MOD Set 6.1: A 54 THR OG1 : rot 180:sc= 0.381 USER MOD Set 6.2: A 57 THR OG1 : rot 90:sc= 0.31 USER MOD Set 7.1: A 36 LYS NZ :NH3+ -170:sc= 0.014 (180deg=0) USER MOD Set 7.2: A 38 SER OG : rot 180:sc= 0.0173 USER MOD Set 8.1: A 25 GLN : amide:sc= 0.715 K(o=0.37,f=-3.1) USER MOD Set 8.2: A 65 MET CE :methyl -170:sc= -0.342 (180deg=-0.184) USER MOD Set 9.1: A 21 THR OG1 : rot -130:sc= 0.788 USER MOD Set 9.2: B 133 LYS NZ :NH3+ -170:sc= 2.1 (180deg=0.933) USER MOD Set10.1: A 7 THR OG1 : rot -87:sc= 0.843 USER MOD Set10.2: A 43 ASN : amide:sc= 0.692 K(o=2.3,f=1.6) USER MOD Set10.3: A 45 THR OG1 : rot 180:sc= 0.753 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -150:sc= 1.09 (180deg=0.376) USER MOD Single : A 4 ASN : amide:sc=-0.00787 K(o=-0.0079,f=-1) USER MOD Single : A 5 SER OG : rot 26:sc= 0.00515 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl 167:sc= -0.0242 (180deg=-0.428) USER MOD Single : A 14 THR OG1 : rot -39:sc= 0.403 USER MOD Single : A 16 ASN : amide:sc= -0.0421 X(o=-0.042,f=-0.042) USER MOD Single : A 17 SER OG : rot -18:sc= 1.34 USER MOD Single : A 24 GLN : amide:sc= -0.167 X(o=-0.17,f=-0.17) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -0.112 K(o=-0.11,f=-4!) USER MOD Single : A 33 HIS : no HD1:sc= -0.282 K(o=-0.28,f=-2.4!) USER MOD Single : A 34 HIS : no HD1:sc= -0.0296 X(o=-0.03,f=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -0.153 K(o=-0.15,f=-2.9!) USER MOD Single : A 56 LYS NZ :NH3+ -160:sc= 1.21 (180deg=0.772) USER MOD Single : A 59 GLN : amide:sc= 0.465 X(o=0.47,f=0) USER MOD Single : A 72 HIS : no HD1:sc= -0.16 X(o=-0.16,f=-0.0015) USER MOD Single : A 73 ASN : amide:sc= -0.248 X(o=-0.25,f=0) USER MOD Single : B 74 MET CE :methyl 153:sc= 0 (180deg=-0.836) USER MOD Single : B 76 LYS NZ :NH3+ 168:sc= 1.24 (180deg=1.16) USER MOD Single : B 80 SER OG : rot 180:sc= 0 USER MOD Single : B 83 MET CE :methyl 178:sc= -0.138 (180deg=-0.154) USER MOD Single : B 88 CYS SG : rot -96:sc= 0.0793 USER MOD Single : B 93 SER OG : rot 180:sc= 0.0116 USER MOD Single : B 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 103 LYS NZ :NH3+ 171:sc= 1.26 (180deg=1.14) USER MOD Single : B 114 CYS SG : rot 180:sc= -0.107 USER MOD Single : B 120 SER OG : rot 180:sc= 0.0406 USER MOD Single : B 121 MET CE :methyl 156:sc= -0.0279 (180deg=-1.54) USER MOD Single : B 123 THR OG1 : rot 180:sc=-0.00294 USER MOD Single : B 127 THR OG1 : rot 78:sc= 1.25 USER MOD Single : B 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 130 LYS NZ :NH3+ -172:sc= 1.03 (180deg=0.977) USER MOD Single : B 131 THR OG1 : rot -61:sc= 1.13 USER MOD Single : B 134 THR OG1 : rot 180:sc= 0 USER MOD Single : B 136 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.138 -9.186 31.749 1.00 0.00 N ATOM 2 CA MET A 1 -6.585 -9.243 30.340 1.00 0.00 C ATOM 3 C MET A 1 -5.779 -10.280 29.565 1.00 0.00 C ATOM 4 O MET A 1 -4.652 -10.604 29.955 1.00 0.00 O ATOM 5 CB MET A 1 -6.560 -7.866 29.645 1.00 0.00 C ATOM 6 CG MET A 1 -5.161 -7.345 29.287 1.00 0.00 C ATOM 7 SD MET A 1 -4.064 -7.050 30.698 1.00 0.00 S ATOM 8 CE MET A 1 -2.558 -6.580 29.810 1.00 0.00 C ATOM 0 H1 MET A 1 -6.937 -8.912 32.356 1.00 0.00 H new ATOM 0 H2 MET A 1 -5.787 -10.121 32.040 1.00 0.00 H new ATOM 0 H3 MET A 1 -5.376 -8.485 31.843 1.00 0.00 H new ATOM 0 HA MET A 1 -7.630 -9.553 30.348 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.153 -7.926 28.733 1.00 0.00 H new ATOM 0 HB3 MET A 1 -7.047 -7.139 30.295 1.00 0.00 H new ATOM 0 HG2 MET A 1 -4.683 -8.062 28.620 1.00 0.00 H new ATOM 0 HG3 MET A 1 -5.269 -6.414 28.730 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.767 -6.360 30.527 1.00 0.00 H new ATOM 0 HE2 MET A 1 -2.245 -7.401 29.164 1.00 0.00 H new ATOM 0 HE3 MET A 1 -2.754 -5.696 29.204 1.00 0.00 H new ATOM 20 N GLY A 2 -6.349 -10.781 28.464 1.00 0.00 N ATOM 21 CA GLY A 2 -5.755 -11.803 27.592 1.00 0.00 C ATOM 22 C GLY A 2 -5.282 -11.235 26.252 1.00 0.00 C ATOM 23 O GLY A 2 -4.974 -10.048 26.149 1.00 0.00 O ATOM 0 H GLY A 2 -7.268 -10.476 28.143 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -4.911 -12.265 28.104 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -6.487 -12.590 27.410 1.00 0.00 H new ATOM 27 N VAL A 3 -5.230 -12.090 25.229 1.00 0.00 N ATOM 28 CA VAL A 3 -4.911 -11.731 23.833 1.00 0.00 C ATOM 29 C VAL A 3 -5.969 -12.262 22.864 1.00 0.00 C ATOM 30 O VAL A 3 -6.384 -13.419 22.958 1.00 0.00 O ATOM 31 CB VAL A 3 -3.515 -12.235 23.380 1.00 0.00 C ATOM 32 CG1 VAL A 3 -2.421 -11.225 23.754 1.00 0.00 C ATOM 33 CG2 VAL A 3 -3.139 -13.628 23.913 1.00 0.00 C ATOM 0 H VAL A 3 -5.414 -13.086 25.346 1.00 0.00 H new ATOM 0 HA VAL A 3 -4.901 -10.641 23.809 1.00 0.00 H new ATOM 0 HB VAL A 3 -3.586 -12.330 22.296 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -1.452 -11.601 23.426 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -2.624 -10.271 23.267 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -2.409 -11.085 24.835 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -2.149 -13.902 23.548 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -3.132 -13.611 25.003 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -3.869 -14.360 23.566 1.00 0.00 H new ATOM 43 N ASN A 4 -6.375 -11.416 21.913 1.00 0.00 N ATOM 44 CA ASN A 4 -7.218 -11.783 20.769 1.00 0.00 C ATOM 45 C ASN A 4 -6.364 -11.938 19.496 1.00 0.00 C ATOM 46 O ASN A 4 -5.282 -11.364 19.386 1.00 0.00 O ATOM 47 CB ASN A 4 -8.314 -10.720 20.580 1.00 0.00 C ATOM 48 CG ASN A 4 -9.483 -10.855 21.551 1.00 0.00 C ATOM 49 OD1 ASN A 4 -9.652 -11.845 22.252 1.00 0.00 O ATOM 50 ND2 ASN A 4 -10.361 -9.869 21.591 1.00 0.00 N ATOM 0 H ASN A 4 -6.120 -10.429 21.917 1.00 0.00 H new ATOM 0 HA ASN A 4 -7.694 -12.744 20.963 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -7.871 -9.731 20.696 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -8.693 -10.781 19.560 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -11.174 -9.935 22.203 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -10.226 -9.042 21.010 1.00 0.00 H new ATOM 57 N SER A 5 -6.836 -12.705 18.514 1.00 0.00 N ATOM 58 CA SER A 5 -6.081 -13.011 17.290 1.00 0.00 C ATOM 59 C SER A 5 -7.001 -13.132 16.067 1.00 0.00 C ATOM 60 O SER A 5 -8.147 -13.573 16.189 1.00 0.00 O ATOM 61 CB SER A 5 -5.272 -14.304 17.478 1.00 0.00 C ATOM 62 OG SER A 5 -4.425 -14.523 16.364 1.00 0.00 O ATOM 0 H SER A 5 -7.760 -13.137 18.541 1.00 0.00 H new ATOM 0 HA SER A 5 -5.398 -12.182 17.106 1.00 0.00 H new ATOM 0 HB2 SER A 5 -4.676 -14.239 18.388 1.00 0.00 H new ATOM 0 HB3 SER A 5 -5.949 -15.150 17.600 1.00 0.00 H new ATOM 0 HG SER A 5 -4.218 -13.666 15.937 1.00 0.00 H new ATOM 68 N VAL A 6 -6.509 -12.791 14.872 1.00 0.00 N ATOM 69 CA VAL A 6 -7.280 -12.907 13.616 1.00 0.00 C ATOM 70 C VAL A 6 -6.371 -13.048 12.388 1.00 0.00 C ATOM 71 O VAL A 6 -5.228 -12.587 12.413 1.00 0.00 O ATOM 72 CB VAL A 6 -8.298 -11.741 13.468 1.00 0.00 C ATOM 73 CG1 VAL A 6 -7.658 -10.429 12.981 1.00 0.00 C ATOM 74 CG2 VAL A 6 -9.466 -12.113 12.545 1.00 0.00 C ATOM 0 H VAL A 6 -5.566 -12.426 14.741 1.00 0.00 H new ATOM 0 HA VAL A 6 -7.856 -13.831 13.674 1.00 0.00 H new ATOM 0 HB VAL A 6 -8.677 -11.570 14.476 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -8.425 -9.658 12.900 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -6.896 -10.110 13.692 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -7.199 -10.588 12.005 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -10.153 -11.270 12.470 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -9.083 -12.358 11.554 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -9.993 -12.975 12.954 1.00 0.00 H new ATOM 84 N THR A 7 -6.888 -13.670 11.319 1.00 0.00 N ATOM 85 CA THR A 7 -6.238 -13.780 10.003 1.00 0.00 C ATOM 86 C THR A 7 -7.124 -13.175 8.914 1.00 0.00 C ATOM 87 O THR A 7 -8.347 -13.270 8.948 1.00 0.00 O ATOM 88 CB THR A 7 -5.860 -15.236 9.701 1.00 0.00 C ATOM 89 OG1 THR A 7 -4.931 -15.650 10.676 1.00 0.00 O ATOM 90 CG2 THR A 7 -5.153 -15.425 8.360 1.00 0.00 C ATOM 0 H THR A 7 -7.800 -14.126 11.346 1.00 0.00 H new ATOM 0 HA THR A 7 -5.311 -13.207 10.021 1.00 0.00 H new ATOM 0 HB THR A 7 -6.792 -15.801 9.689 1.00 0.00 H new ATOM 0 HG1 THR A 7 -4.025 -15.416 10.385 1.00 0.00 H new ATOM 0 HG21 THR A 7 -4.918 -16.480 8.218 1.00 0.00 H new ATOM 0 HG22 THR A 7 -5.805 -15.087 7.554 1.00 0.00 H new ATOM 0 HG23 THR A 7 -4.231 -14.843 8.349 1.00 0.00 H new ATOM 98 N ILE A 8 -6.497 -12.526 7.937 1.00 0.00 N ATOM 99 CA ILE A 8 -7.124 -11.816 6.815 1.00 0.00 C ATOM 100 C ILE A 8 -6.486 -12.293 5.505 1.00 0.00 C ATOM 101 O ILE A 8 -5.263 -12.295 5.365 1.00 0.00 O ATOM 102 CB ILE A 8 -6.963 -10.286 7.018 1.00 0.00 C ATOM 103 CG1 ILE A 8 -7.623 -9.844 8.349 1.00 0.00 C ATOM 104 CG2 ILE A 8 -7.535 -9.491 5.831 1.00 0.00 C ATOM 105 CD1 ILE A 8 -7.695 -8.329 8.593 1.00 0.00 C ATOM 0 H ILE A 8 -5.479 -12.476 7.901 1.00 0.00 H new ATOM 0 HA ILE A 8 -8.191 -12.032 6.769 1.00 0.00 H new ATOM 0 HB ILE A 8 -5.896 -10.068 7.069 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -8.636 -10.246 8.381 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -7.074 -10.299 9.173 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -7.403 -8.424 6.011 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -7.011 -9.773 4.918 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -8.597 -9.712 5.723 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -8.175 -8.137 9.553 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -6.687 -7.914 8.602 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -8.274 -7.859 7.798 1.00 0.00 H new ATOM 117 N SER A 9 -7.295 -12.660 4.515 1.00 0.00 N ATOM 118 CA SER A 9 -6.857 -13.217 3.223 1.00 0.00 C ATOM 119 C SER A 9 -6.223 -12.159 2.289 1.00 0.00 C ATOM 120 O SER A 9 -6.687 -11.969 1.167 1.00 0.00 O ATOM 121 CB SER A 9 -8.053 -13.917 2.545 1.00 0.00 C ATOM 122 OG SER A 9 -8.668 -14.873 3.387 1.00 0.00 O ATOM 0 H SER A 9 -8.309 -12.578 4.585 1.00 0.00 H new ATOM 0 HA SER A 9 -6.067 -13.942 3.421 1.00 0.00 H new ATOM 0 HB2 SER A 9 -8.789 -13.169 2.251 1.00 0.00 H new ATOM 0 HB3 SER A 9 -7.714 -14.406 1.632 1.00 0.00 H new ATOM 0 HG SER A 9 -9.420 -15.288 2.916 1.00 0.00 H new ATOM 128 N VAL A 10 -5.211 -11.415 2.753 1.00 0.00 N ATOM 129 CA VAL A 10 -4.549 -10.326 2.002 1.00 0.00 C ATOM 130 C VAL A 10 -3.822 -10.882 0.763 1.00 0.00 C ATOM 131 O VAL A 10 -2.744 -11.470 0.872 1.00 0.00 O ATOM 132 CB VAL A 10 -3.606 -9.472 2.882 1.00 0.00 C ATOM 133 CG1 VAL A 10 -2.980 -8.314 2.085 1.00 0.00 C ATOM 134 CG2 VAL A 10 -4.379 -8.864 4.066 1.00 0.00 C ATOM 0 H VAL A 10 -4.816 -11.552 3.683 1.00 0.00 H new ATOM 0 HA VAL A 10 -5.335 -9.650 1.665 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.819 -10.137 3.237 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.324 -7.737 2.737 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -2.403 -8.716 1.252 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -3.770 -7.668 1.701 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -3.701 -8.266 4.675 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -5.182 -8.231 3.689 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -4.802 -9.664 4.673 1.00 0.00 H new ATOM 144 N GLU A 11 -4.460 -10.734 -0.403 1.00 0.00 N ATOM 145 CA GLU A 11 -4.130 -11.487 -1.625 1.00 0.00 C ATOM 146 C GLU A 11 -2.828 -11.062 -2.341 1.00 0.00 C ATOM 147 O GLU A 11 -1.915 -11.877 -2.489 1.00 0.00 O ATOM 148 CB GLU A 11 -5.338 -11.535 -2.582 1.00 0.00 C ATOM 149 CG GLU A 11 -6.549 -12.247 -1.949 1.00 0.00 C ATOM 150 CD GLU A 11 -7.391 -13.016 -2.962 1.00 0.00 C ATOM 151 OE1 GLU A 11 -6.929 -14.076 -3.445 1.00 0.00 O ATOM 152 OE2 GLU A 11 -8.541 -12.625 -3.273 1.00 0.00 O ATOM 0 H GLU A 11 -5.232 -10.079 -0.530 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.909 -12.499 -1.284 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -5.620 -10.520 -2.861 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -5.053 -12.050 -3.499 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -6.197 -12.936 -1.181 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -7.177 -11.508 -1.451 1.00 0.00 H new ATOM 159 N GLY A 12 -2.707 -9.809 -2.804 1.00 0.00 N ATOM 160 CA GLY A 12 -1.624 -9.351 -3.705 1.00 0.00 C ATOM 161 C GLY A 12 -0.237 -9.151 -3.069 1.00 0.00 C ATOM 162 O GLY A 12 0.612 -8.467 -3.638 1.00 0.00 O ATOM 0 H GLY A 12 -3.366 -9.069 -2.563 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -1.526 -10.074 -4.515 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -1.932 -8.407 -4.155 1.00 0.00 H new ATOM 166 N MET A 13 0.014 -9.732 -1.895 1.00 0.00 N ATOM 167 CA MET A 13 1.169 -9.470 -1.018 1.00 0.00 C ATOM 168 C MET A 13 2.473 -10.195 -1.441 1.00 0.00 C ATOM 169 O MET A 13 3.204 -10.702 -0.594 1.00 0.00 O ATOM 170 CB MET A 13 0.718 -9.800 0.410 1.00 0.00 C ATOM 171 CG MET A 13 1.594 -9.162 1.495 1.00 0.00 C ATOM 172 SD MET A 13 0.757 -8.982 3.090 1.00 0.00 S ATOM 173 CE MET A 13 0.131 -10.668 3.267 1.00 0.00 C ATOM 0 H MET A 13 -0.613 -10.436 -1.505 1.00 0.00 H new ATOM 0 HA MET A 13 1.458 -8.422 -1.095 1.00 0.00 H new ATOM 0 HB2 MET A 13 -0.311 -9.466 0.543 1.00 0.00 H new ATOM 0 HB3 MET A 13 0.722 -10.882 0.542 1.00 0.00 H new ATOM 0 HG2 MET A 13 2.489 -9.769 1.631 1.00 0.00 H new ATOM 0 HG3 MET A 13 1.923 -8.180 1.154 1.00 0.00 H new ATOM 0 HE1 MET A 13 -0.215 -10.822 4.289 1.00 0.00 H new ATOM 0 HE2 MET A 13 -0.698 -10.823 2.576 1.00 0.00 H new ATOM 0 HE3 MET A 13 0.928 -11.377 3.043 1.00 0.00 H new ATOM 183 N THR A 14 2.803 -10.221 -2.741 1.00 0.00 N ATOM 184 CA THR A 14 4.010 -10.870 -3.320 1.00 0.00 C ATOM 185 C THR A 14 5.313 -10.056 -3.160 1.00 0.00 C ATOM 186 O THR A 14 6.317 -10.294 -3.837 1.00 0.00 O ATOM 187 CB THR A 14 3.705 -11.346 -4.744 1.00 0.00 C ATOM 188 OG1 THR A 14 4.730 -12.171 -5.246 1.00 0.00 O ATOM 189 CG2 THR A 14 3.531 -10.163 -5.680 1.00 0.00 C ATOM 0 H THR A 14 2.222 -9.777 -3.452 1.00 0.00 H new ATOM 0 HA THR A 14 4.237 -11.756 -2.727 1.00 0.00 H new ATOM 0 HB THR A 14 2.780 -11.920 -4.695 1.00 0.00 H new ATOM 0 HG1 THR A 14 5.600 -11.819 -4.964 1.00 0.00 H new ATOM 0 HG21 THR A 14 3.315 -10.523 -6.686 1.00 0.00 H new ATOM 0 HG22 THR A 14 2.705 -9.542 -5.332 1.00 0.00 H new ATOM 0 HG23 THR A 14 4.447 -9.573 -5.695 1.00 0.00 H new ATOM 197 N CYS A 15 5.307 -9.070 -2.265 1.00 0.00 N ATOM 198 CA CYS A 15 6.364 -8.093 -2.085 1.00 0.00 C ATOM 199 C CYS A 15 7.542 -8.582 -1.195 1.00 0.00 C ATOM 200 O CYS A 15 7.690 -9.759 -0.854 1.00 0.00 O ATOM 201 CB CYS A 15 5.650 -6.846 -1.529 1.00 0.00 C ATOM 202 SG CYS A 15 6.516 -5.314 -1.989 1.00 0.00 S ATOM 0 H CYS A 15 4.529 -8.929 -1.621 1.00 0.00 H new ATOM 0 HA CYS A 15 6.870 -7.885 -3.028 1.00 0.00 H new ATOM 0 HB2 CYS A 15 4.628 -6.813 -1.906 1.00 0.00 H new ATOM 0 HB3 CYS A 15 5.587 -6.917 -0.443 1.00 0.00 H new ATOM 207 N ASN A 16 8.360 -7.608 -0.804 1.00 0.00 N ATOM 208 CA ASN A 16 9.485 -7.684 0.135 1.00 0.00 C ATOM 209 C ASN A 16 9.660 -6.357 0.920 1.00 0.00 C ATOM 210 O ASN A 16 10.476 -6.284 1.841 1.00 0.00 O ATOM 211 CB ASN A 16 10.751 -8.105 -0.640 1.00 0.00 C ATOM 212 CG ASN A 16 11.960 -8.362 0.252 1.00 0.00 C ATOM 213 OD1 ASN A 16 12.010 -9.333 0.998 1.00 0.00 O ATOM 214 ND2 ASN A 16 12.967 -7.510 0.189 1.00 0.00 N ATOM 0 H ASN A 16 8.246 -6.661 -1.166 1.00 0.00 H new ATOM 0 HA ASN A 16 9.286 -8.441 0.894 1.00 0.00 H new ATOM 0 HB2 ASN A 16 10.533 -9.008 -1.210 1.00 0.00 H new ATOM 0 HB3 ASN A 16 11.001 -7.326 -1.360 1.00 0.00 H new ATOM 0 HD21 ASN A 16 13.796 -7.657 0.764 1.00 0.00 H new ATOM 0 HD22 ASN A 16 12.916 -6.705 -0.435 1.00 0.00 H new ATOM 221 N SER A 17 8.869 -5.317 0.615 1.00 0.00 N ATOM 222 CA SER A 17 8.824 -4.053 1.369 1.00 0.00 C ATOM 223 C SER A 17 7.395 -3.560 1.691 1.00 0.00 C ATOM 224 O SER A 17 7.195 -2.904 2.709 1.00 0.00 O ATOM 225 CB SER A 17 9.668 -2.989 0.655 1.00 0.00 C ATOM 226 OG SER A 17 9.133 -2.535 -0.583 1.00 0.00 O ATOM 0 H SER A 17 8.229 -5.331 -0.179 1.00 0.00 H new ATOM 0 HA SER A 17 9.262 -4.249 2.348 1.00 0.00 H new ATOM 0 HB2 SER A 17 9.786 -2.133 1.319 1.00 0.00 H new ATOM 0 HB3 SER A 17 10.664 -3.394 0.477 1.00 0.00 H new ATOM 0 HG SER A 17 8.473 -3.181 -0.911 1.00 0.00 H new ATOM 232 N CYS A 18 6.350 -3.965 0.959 1.00 0.00 N ATOM 233 CA CYS A 18 4.960 -3.728 1.358 1.00 0.00 C ATOM 234 C CYS A 18 4.591 -4.481 2.659 1.00 0.00 C ATOM 235 O CYS A 18 3.810 -3.997 3.474 1.00 0.00 O ATOM 236 CB CYS A 18 4.108 -4.108 0.142 1.00 0.00 C ATOM 237 SG CYS A 18 4.546 -3.019 -1.231 1.00 0.00 S ATOM 0 H CYS A 18 6.445 -4.465 0.075 1.00 0.00 H new ATOM 0 HA CYS A 18 4.781 -2.685 1.620 1.00 0.00 H new ATOM 0 HB2 CYS A 18 4.281 -5.149 -0.131 1.00 0.00 H new ATOM 0 HB3 CYS A 18 3.048 -4.012 0.378 1.00 0.00 H new ATOM 242 N VAL A 19 5.236 -5.626 2.886 1.00 0.00 N ATOM 243 CA VAL A 19 5.212 -6.371 4.159 1.00 0.00 C ATOM 244 C VAL A 19 5.714 -5.517 5.340 1.00 0.00 C ATOM 245 O VAL A 19 5.156 -5.585 6.435 1.00 0.00 O ATOM 246 CB VAL A 19 6.012 -7.693 4.064 1.00 0.00 C ATOM 247 CG1 VAL A 19 5.269 -8.694 3.160 1.00 0.00 C ATOM 248 CG2 VAL A 19 7.443 -7.509 3.523 1.00 0.00 C ATOM 0 H VAL A 19 5.808 -6.079 2.173 1.00 0.00 H new ATOM 0 HA VAL A 19 4.168 -6.620 4.351 1.00 0.00 H new ATOM 0 HB VAL A 19 6.094 -8.069 5.084 1.00 0.00 H new ATOM 0 HG11 VAL A 19 5.839 -9.621 3.099 1.00 0.00 H new ATOM 0 HG12 VAL A 19 4.284 -8.900 3.578 1.00 0.00 H new ATOM 0 HG13 VAL A 19 5.158 -8.270 2.162 1.00 0.00 H new ATOM 0 HG21 VAL A 19 7.944 -8.476 3.484 1.00 0.00 H new ATOM 0 HG22 VAL A 19 7.401 -7.081 2.521 1.00 0.00 H new ATOM 0 HG23 VAL A 19 7.997 -6.839 4.181 1.00 0.00 H new ATOM 258 N TRP A 20 6.711 -4.652 5.102 1.00 0.00 N ATOM 259 CA TRP A 20 7.180 -3.653 6.063 1.00 0.00 C ATOM 260 C TRP A 20 6.166 -2.503 6.237 1.00 0.00 C ATOM 261 O TRP A 20 5.923 -2.112 7.378 1.00 0.00 O ATOM 262 CB TRP A 20 8.595 -3.205 5.661 1.00 0.00 C ATOM 263 CG TRP A 20 9.142 -1.999 6.353 1.00 0.00 C ATOM 264 CD1 TRP A 20 9.880 -2.006 7.484 1.00 0.00 C ATOM 265 CD2 TRP A 20 9.073 -0.603 5.928 1.00 0.00 C ATOM 266 NE1 TRP A 20 10.252 -0.716 7.803 1.00 0.00 N ATOM 267 CE2 TRP A 20 9.781 0.191 6.879 1.00 0.00 C ATOM 268 CE3 TRP A 20 8.506 0.069 4.824 1.00 0.00 C ATOM 269 CZ2 TRP A 20 9.901 1.583 6.755 1.00 0.00 C ATOM 270 CZ3 TRP A 20 8.630 1.464 4.684 1.00 0.00 C ATOM 271 CH2 TRP A 20 9.316 2.221 5.649 1.00 0.00 C ATOM 0 H TRP A 20 7.221 -4.630 4.219 1.00 0.00 H new ATOM 0 HA TRP A 20 7.251 -4.091 7.059 1.00 0.00 H new ATOM 0 HB2 TRP A 20 9.277 -4.036 5.837 1.00 0.00 H new ATOM 0 HB3 TRP A 20 8.598 -3.012 4.588 1.00 0.00 H new ATOM 0 HD1 TRP A 20 10.140 -2.887 8.052 1.00 0.00 H new ATOM 0 HE1 TRP A 20 10.807 -0.465 8.621 1.00 0.00 H new ATOM 0 HE3 TRP A 20 7.969 -0.495 4.076 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 10.435 2.156 7.499 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 8.194 1.957 3.828 1.00 0.00 H new ATOM 0 HH2 TRP A 20 9.393 3.293 5.540 1.00 0.00 H new ATOM 282 N THR A 21 5.481 -2.044 5.170 1.00 0.00 N ATOM 283 CA THR A 21 4.341 -1.101 5.276 1.00 0.00 C ATOM 284 C THR A 21 3.272 -1.623 6.231 1.00 0.00 C ATOM 285 O THR A 21 2.933 -0.902 7.163 1.00 0.00 O ATOM 286 CB THR A 21 3.756 -0.723 3.902 1.00 0.00 C ATOM 287 OG1 THR A 21 4.777 -0.073 3.185 1.00 0.00 O ATOM 288 CG2 THR A 21 2.551 0.232 3.963 1.00 0.00 C ATOM 0 H THR A 21 5.699 -2.314 4.211 1.00 0.00 H new ATOM 0 HA THR A 21 4.734 -0.178 5.701 1.00 0.00 H new ATOM 0 HB THR A 21 3.402 -1.643 3.438 1.00 0.00 H new ATOM 0 HG1 THR A 21 4.434 0.768 2.817 1.00 0.00 H new ATOM 0 HG21 THR A 21 2.204 0.445 2.952 1.00 0.00 H new ATOM 0 HG22 THR A 21 1.747 -0.233 4.533 1.00 0.00 H new ATOM 0 HG23 THR A 21 2.848 1.162 4.448 1.00 0.00 H new ATOM 296 N ILE A 22 2.828 -2.882 6.103 1.00 0.00 N ATOM 297 CA ILE A 22 1.867 -3.494 7.056 1.00 0.00 C ATOM 298 C ILE A 22 2.364 -3.348 8.504 1.00 0.00 C ATOM 299 O ILE A 22 1.641 -2.867 9.376 1.00 0.00 O ATOM 300 CB ILE A 22 1.613 -4.999 6.751 1.00 0.00 C ATOM 301 CG1 ILE A 22 1.188 -5.327 5.300 1.00 0.00 C ATOM 302 CG2 ILE A 22 0.583 -5.571 7.750 1.00 0.00 C ATOM 303 CD1 ILE A 22 -0.246 -4.953 4.922 1.00 0.00 C ATOM 0 H ILE A 22 3.116 -3.505 5.348 1.00 0.00 H new ATOM 0 HA ILE A 22 0.926 -2.958 6.935 1.00 0.00 H new ATOM 0 HB ILE A 22 2.584 -5.479 6.870 1.00 0.00 H new ATOM 0 HG12 ILE A 22 1.868 -4.815 4.619 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.319 -6.397 5.137 1.00 0.00 H new ATOM 0 HG21 ILE A 22 0.410 -6.625 7.531 1.00 0.00 H new ATOM 0 HG22 ILE A 22 0.966 -5.470 8.765 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -0.355 -5.023 7.660 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -0.432 -5.229 3.884 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -0.943 -5.485 5.569 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -0.386 -3.879 5.043 1.00 0.00 H new ATOM 315 N GLU A 23 3.611 -3.750 8.755 1.00 0.00 N ATOM 316 CA GLU A 23 4.233 -3.779 10.083 1.00 0.00 C ATOM 317 C GLU A 23 4.384 -2.378 10.706 1.00 0.00 C ATOM 318 O GLU A 23 4.232 -2.219 11.921 1.00 0.00 O ATOM 319 CB GLU A 23 5.589 -4.489 9.930 1.00 0.00 C ATOM 320 CG GLU A 23 6.295 -4.803 11.253 1.00 0.00 C ATOM 321 CD GLU A 23 7.433 -5.797 11.038 1.00 0.00 C ATOM 322 OE1 GLU A 23 8.398 -5.468 10.307 1.00 0.00 O ATOM 323 OE2 GLU A 23 7.377 -6.925 11.581 1.00 0.00 O ATOM 0 H GLU A 23 4.237 -4.075 8.018 1.00 0.00 H new ATOM 0 HA GLU A 23 3.590 -4.320 10.778 1.00 0.00 H new ATOM 0 HB2 GLU A 23 5.438 -5.420 9.384 1.00 0.00 H new ATOM 0 HB3 GLU A 23 6.245 -3.866 9.322 1.00 0.00 H new ATOM 0 HG2 GLU A 23 6.687 -3.884 11.688 1.00 0.00 H new ATOM 0 HG3 GLU A 23 5.578 -5.213 11.965 1.00 0.00 H new ATOM 330 N GLN A 24 4.683 -1.374 9.877 1.00 0.00 N ATOM 331 CA GLN A 24 4.747 0.045 10.247 1.00 0.00 C ATOM 332 C GLN A 24 3.373 0.711 10.438 1.00 0.00 C ATOM 333 O GLN A 24 3.248 1.599 11.283 1.00 0.00 O ATOM 334 CB GLN A 24 5.573 0.810 9.199 1.00 0.00 C ATOM 335 CG GLN A 24 7.079 0.481 9.204 1.00 0.00 C ATOM 336 CD GLN A 24 7.747 0.640 10.570 1.00 0.00 C ATOM 337 OE1 GLN A 24 8.293 -0.298 11.145 1.00 0.00 O ATOM 338 NE2 GLN A 24 7.710 1.806 11.174 1.00 0.00 N ATOM 0 H GLN A 24 4.895 -1.532 8.892 1.00 0.00 H new ATOM 0 HA GLN A 24 5.229 0.089 11.224 1.00 0.00 H new ATOM 0 HB2 GLN A 24 5.170 0.593 8.210 1.00 0.00 H new ATOM 0 HB3 GLN A 24 5.448 1.880 9.367 1.00 0.00 H new ATOM 0 HG2 GLN A 24 7.217 -0.544 8.861 1.00 0.00 H new ATOM 0 HG3 GLN A 24 7.584 1.128 8.487 1.00 0.00 H new ATOM 0 HE21 GLN A 24 7.263 2.602 10.719 1.00 0.00 H new ATOM 0 HE22 GLN A 24 8.128 1.915 12.098 1.00 0.00 H new ATOM 347 N GLN A 25 2.347 0.321 9.673 1.00 0.00 N ATOM 348 CA GLN A 25 0.978 0.815 9.860 1.00 0.00 C ATOM 349 C GLN A 25 0.385 0.267 11.159 1.00 0.00 C ATOM 350 O GLN A 25 -0.142 1.020 11.979 1.00 0.00 O ATOM 351 CB GLN A 25 0.071 0.359 8.704 1.00 0.00 C ATOM 352 CG GLN A 25 0.270 1.076 7.364 1.00 0.00 C ATOM 353 CD GLN A 25 -0.633 0.433 6.317 1.00 0.00 C ATOM 354 OE1 GLN A 25 -0.466 -0.720 5.951 1.00 0.00 O ATOM 355 NE2 GLN A 25 -1.664 1.116 5.870 1.00 0.00 N ATOM 0 H GLN A 25 2.442 -0.346 8.907 1.00 0.00 H new ATOM 0 HA GLN A 25 1.027 1.903 9.892 1.00 0.00 H new ATOM 0 HB2 GLN A 25 0.226 -0.709 8.548 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -0.967 0.489 9.011 1.00 0.00 H new ATOM 0 HG2 GLN A 25 0.034 2.135 7.465 1.00 0.00 H new ATOM 0 HG3 GLN A 25 1.313 1.010 7.053 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -1.808 2.079 6.173 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -2.320 0.682 5.220 1.00 0.00 H new ATOM 364 N ILE A 26 0.419 -1.058 11.324 1.00 0.00 N ATOM 365 CA ILE A 26 -0.275 -1.752 12.413 1.00 0.00 C ATOM 366 C ILE A 26 0.409 -1.504 13.768 1.00 0.00 C ATOM 367 O ILE A 26 -0.270 -1.180 14.749 1.00 0.00 O ATOM 368 CB ILE A 26 -0.551 -3.220 11.974 1.00 0.00 C ATOM 369 CG1 ILE A 26 -2.066 -3.484 11.811 1.00 0.00 C ATOM 370 CG2 ILE A 26 0.094 -4.313 12.832 1.00 0.00 C ATOM 371 CD1 ILE A 26 -2.701 -2.667 10.677 1.00 0.00 C ATOM 0 H ILE A 26 0.932 -1.683 10.702 1.00 0.00 H new ATOM 0 HA ILE A 26 -1.266 -1.340 12.605 1.00 0.00 H new ATOM 0 HB ILE A 26 -0.051 -3.297 11.008 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -2.225 -4.545 11.619 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.572 -3.250 12.747 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.168 -5.292 12.431 1.00 0.00 H new ATOM 0 HG22 ILE A 26 1.177 -4.194 12.819 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.268 -4.232 13.857 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -3.765 -2.897 10.614 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -2.571 -1.604 10.878 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -2.219 -2.919 9.733 1.00 0.00 H new ATOM 383 N GLY A 27 1.747 -1.486 13.815 1.00 0.00 N ATOM 384 CA GLY A 27 2.510 -1.095 15.012 1.00 0.00 C ATOM 385 C GLY A 27 2.113 0.273 15.576 1.00 0.00 C ATOM 386 O GLY A 27 1.974 0.425 16.788 1.00 0.00 O ATOM 0 H GLY A 27 2.335 -1.743 13.022 1.00 0.00 H new ATOM 0 HA2 GLY A 27 2.370 -1.851 15.784 1.00 0.00 H new ATOM 0 HA3 GLY A 27 3.572 -1.083 14.767 1.00 0.00 H new ATOM 390 N LYS A 28 1.811 1.246 14.709 1.00 0.00 N ATOM 391 CA LYS A 28 1.394 2.598 15.105 1.00 0.00 C ATOM 392 C LYS A 28 -0.066 2.681 15.629 1.00 0.00 C ATOM 393 O LYS A 28 -0.427 3.709 16.209 1.00 0.00 O ATOM 394 CB LYS A 28 1.695 3.530 13.907 1.00 0.00 C ATOM 395 CG LYS A 28 1.312 5.016 14.043 1.00 0.00 C ATOM 396 CD LYS A 28 1.909 5.785 15.236 1.00 0.00 C ATOM 397 CE LYS A 28 3.418 6.055 15.118 1.00 0.00 C ATOM 398 NZ LYS A 28 3.901 6.901 16.244 1.00 0.00 N ATOM 0 H LYS A 28 1.850 1.116 13.698 1.00 0.00 H new ATOM 0 HA LYS A 28 1.963 2.924 15.976 1.00 0.00 H new ATOM 0 HB2 LYS A 28 2.764 3.477 13.701 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.181 3.130 13.033 1.00 0.00 H new ATOM 0 HG2 LYS A 28 1.609 5.528 13.127 1.00 0.00 H new ATOM 0 HG3 LYS A 28 0.226 5.081 14.107 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.388 6.737 15.338 1.00 0.00 H new ATOM 0 HD3 LYS A 28 1.722 5.219 16.149 1.00 0.00 H new ATOM 0 HE2 LYS A 28 3.960 5.109 15.111 1.00 0.00 H new ATOM 0 HE3 LYS A 28 3.629 6.551 14.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 4.922 7.068 16.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 3.399 7.812 16.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 3.720 6.415 17.146 1.00 0.00 H new ATOM 412 N VAL A 29 -0.906 1.645 15.486 1.00 0.00 N ATOM 413 CA VAL A 29 -2.350 1.689 15.842 1.00 0.00 C ATOM 414 C VAL A 29 -2.621 2.143 17.289 1.00 0.00 C ATOM 415 O VAL A 29 -3.296 3.153 17.479 1.00 0.00 O ATOM 416 CB VAL A 29 -3.070 0.360 15.504 1.00 0.00 C ATOM 417 CG1 VAL A 29 -4.457 0.199 16.146 1.00 0.00 C ATOM 418 CG2 VAL A 29 -3.230 0.230 13.979 1.00 0.00 C ATOM 0 H VAL A 29 -0.609 0.741 15.118 1.00 0.00 H new ATOM 0 HA VAL A 29 -2.782 2.466 15.211 1.00 0.00 H new ATOM 0 HB VAL A 29 -2.436 -0.423 15.920 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -4.884 -0.760 15.853 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -4.362 0.238 17.231 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -5.110 1.005 15.809 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.737 -0.706 13.745 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -3.820 1.066 13.602 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.247 0.238 13.508 1.00 0.00 H new ATOM 428 N ASN A 30 -2.069 1.407 18.260 1.00 0.00 N ATOM 429 CA ASN A 30 -2.069 1.551 19.732 1.00 0.00 C ATOM 430 C ASN A 30 -2.101 0.176 20.428 1.00 0.00 C ATOM 431 O ASN A 30 -1.373 -0.039 21.396 1.00 0.00 O ATOM 432 CB ASN A 30 -3.135 2.508 20.321 1.00 0.00 C ATOM 433 CG ASN A 30 -4.610 2.180 20.070 1.00 0.00 C ATOM 434 OD1 ASN A 30 -4.989 1.164 19.495 1.00 0.00 O ATOM 435 ND2 ASN A 30 -5.494 3.049 20.521 1.00 0.00 N ATOM 0 H ASN A 30 -1.535 0.578 18.000 1.00 0.00 H new ATOM 0 HA ASN A 30 -1.123 2.047 19.950 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -2.982 2.556 21.399 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -2.943 3.506 19.927 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -6.491 2.876 20.392 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -5.181 3.894 20.999 1.00 0.00 H new ATOM 442 N GLY A 31 -2.912 -0.764 19.920 1.00 0.00 N ATOM 443 CA GLY A 31 -3.212 -2.044 20.574 1.00 0.00 C ATOM 444 C GLY A 31 -2.675 -3.317 19.913 1.00 0.00 C ATOM 445 O GLY A 31 -3.013 -4.392 20.398 1.00 0.00 O ATOM 0 H GLY A 31 -3.387 -0.652 19.024 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -2.822 -2.002 21.591 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -4.295 -2.136 20.652 1.00 0.00 H new ATOM 449 N VAL A 32 -1.902 -3.275 18.822 1.00 0.00 N ATOM 450 CA VAL A 32 -1.383 -4.533 18.208 1.00 0.00 C ATOM 451 C VAL A 32 -0.243 -5.147 19.042 1.00 0.00 C ATOM 452 O VAL A 32 0.562 -4.414 19.615 1.00 0.00 O ATOM 453 CB VAL A 32 -1.001 -4.403 16.720 1.00 0.00 C ATOM 454 CG1 VAL A 32 -2.106 -3.607 15.993 1.00 0.00 C ATOM 455 CG2 VAL A 32 0.440 -3.896 16.523 1.00 0.00 C ATOM 0 H VAL A 32 -1.620 -2.418 18.347 1.00 0.00 H new ATOM 0 HA VAL A 32 -2.224 -5.227 18.224 1.00 0.00 H new ATOM 0 HB VAL A 32 -0.965 -5.384 16.247 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -1.849 -3.507 14.939 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -3.056 -4.134 16.087 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -2.195 -2.617 16.440 1.00 0.00 H new ATOM 0 HG21 VAL A 32 0.657 -3.823 15.457 1.00 0.00 H new ATOM 0 HG22 VAL A 32 0.546 -2.914 16.983 1.00 0.00 H new ATOM 0 HG23 VAL A 32 1.138 -4.592 16.989 1.00 0.00 H new ATOM 465 N HIS A 33 -0.164 -6.479 19.134 1.00 0.00 N ATOM 466 CA HIS A 33 0.788 -7.193 20.009 1.00 0.00 C ATOM 467 C HIS A 33 1.684 -8.233 19.283 1.00 0.00 C ATOM 468 O HIS A 33 2.750 -8.577 19.799 1.00 0.00 O ATOM 469 CB HIS A 33 -0.003 -7.843 21.162 1.00 0.00 C ATOM 470 CG HIS A 33 -0.550 -6.886 22.206 1.00 0.00 C ATOM 471 ND1 HIS A 33 -0.514 -5.509 22.187 1.00 0.00 N ATOM 472 CD2 HIS A 33 -1.137 -7.242 23.393 1.00 0.00 C ATOM 473 CE1 HIS A 33 -1.074 -5.052 23.318 1.00 0.00 C ATOM 474 NE2 HIS A 33 -1.463 -6.076 24.099 1.00 0.00 N ATOM 0 H HIS A 33 -0.765 -7.105 18.598 1.00 0.00 H new ATOM 0 HA HIS A 33 1.494 -6.454 20.388 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -0.836 -8.403 20.737 1.00 0.00 H new ATOM 0 HB3 HIS A 33 0.644 -8.565 21.661 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -1.318 -8.253 23.728 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -1.195 -4.008 23.566 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -1.905 -6.016 25.017 1.00 0.00 H new ATOM 482 N HIS A 34 1.315 -8.730 18.097 1.00 0.00 N ATOM 483 CA HIS A 34 2.226 -9.431 17.168 1.00 0.00 C ATOM 484 C HIS A 34 1.666 -9.386 15.733 1.00 0.00 C ATOM 485 O HIS A 34 0.501 -9.732 15.543 1.00 0.00 O ATOM 486 CB HIS A 34 2.443 -10.885 17.631 1.00 0.00 C ATOM 487 CG HIS A 34 3.257 -11.755 16.704 1.00 0.00 C ATOM 488 ND1 HIS A 34 4.590 -12.076 16.840 1.00 0.00 N ATOM 489 CD2 HIS A 34 2.770 -12.504 15.664 1.00 0.00 C ATOM 490 CE1 HIS A 34 4.883 -13.021 15.932 1.00 0.00 C ATOM 491 NE2 HIS A 34 3.809 -13.302 15.167 1.00 0.00 N ATOM 0 H HIS A 34 0.361 -8.658 17.745 1.00 0.00 H new ATOM 0 HA HIS A 34 3.191 -8.925 17.171 1.00 0.00 H new ATOM 0 HB2 HIS A 34 2.932 -10.867 18.605 1.00 0.00 H new ATOM 0 HB3 HIS A 34 1.468 -11.351 17.773 1.00 0.00 H new ATOM 0 HD2 HIS A 34 1.757 -12.483 15.291 1.00 0.00 H new ATOM 0 HE1 HIS A 34 5.849 -13.493 15.828 1.00 0.00 H new ATOM 0 HE2 HIS A 34 3.762 -13.959 14.388 1.00 0.00 H new ATOM 499 N ILE A 35 2.466 -9.004 14.731 1.00 0.00 N ATOM 500 CA ILE A 35 2.080 -8.963 13.303 1.00 0.00 C ATOM 501 C ILE A 35 2.895 -9.967 12.473 1.00 0.00 C ATOM 502 O ILE A 35 4.126 -10.015 12.548 1.00 0.00 O ATOM 503 CB ILE A 35 2.149 -7.508 12.749 1.00 0.00 C ATOM 504 CG1 ILE A 35 1.748 -7.391 11.254 1.00 0.00 C ATOM 505 CG2 ILE A 35 3.475 -6.786 13.041 1.00 0.00 C ATOM 506 CD1 ILE A 35 2.830 -7.633 10.188 1.00 0.00 C ATOM 0 H ILE A 35 3.428 -8.705 14.888 1.00 0.00 H new ATOM 0 HA ILE A 35 1.040 -9.277 13.217 1.00 0.00 H new ATOM 0 HB ILE A 35 1.386 -6.978 13.319 1.00 0.00 H new ATOM 0 HG12 ILE A 35 0.937 -8.096 11.071 1.00 0.00 H new ATOM 0 HG13 ILE A 35 1.343 -6.392 11.096 1.00 0.00 H new ATOM 0 HG21 ILE A 35 3.441 -5.780 12.622 1.00 0.00 H new ATOM 0 HG22 ILE A 35 3.627 -6.726 14.119 1.00 0.00 H new ATOM 0 HG23 ILE A 35 4.298 -7.340 12.589 1.00 0.00 H new ATOM 0 HD11 ILE A 35 2.396 -7.515 9.195 1.00 0.00 H new ATOM 0 HD12 ILE A 35 3.637 -6.912 10.319 1.00 0.00 H new ATOM 0 HD13 ILE A 35 3.225 -8.643 10.294 1.00 0.00 H new ATOM 518 N LYS A 36 2.202 -10.750 11.643 1.00 0.00 N ATOM 519 CA LYS A 36 2.771 -11.711 10.687 1.00 0.00 C ATOM 520 C LYS A 36 2.121 -11.554 9.296 1.00 0.00 C ATOM 521 O LYS A 36 0.908 -11.387 9.191 1.00 0.00 O ATOM 522 CB LYS A 36 2.546 -13.127 11.247 1.00 0.00 C ATOM 523 CG LYS A 36 3.130 -14.243 10.365 1.00 0.00 C ATOM 524 CD LYS A 36 2.878 -15.612 11.008 1.00 0.00 C ATOM 525 CE LYS A 36 3.459 -16.774 10.193 1.00 0.00 C ATOM 526 NZ LYS A 36 2.751 -16.986 8.910 1.00 0.00 N ATOM 0 H LYS A 36 1.183 -10.733 11.615 1.00 0.00 H new ATOM 0 HA LYS A 36 3.838 -11.527 10.561 1.00 0.00 H new ATOM 0 HB2 LYS A 36 2.992 -13.190 12.240 1.00 0.00 H new ATOM 0 HB3 LYS A 36 1.476 -13.294 11.367 1.00 0.00 H new ATOM 0 HG2 LYS A 36 2.676 -14.209 9.375 1.00 0.00 H new ATOM 0 HG3 LYS A 36 4.200 -14.088 10.230 1.00 0.00 H new ATOM 0 HD2 LYS A 36 3.313 -15.623 12.007 1.00 0.00 H new ATOM 0 HD3 LYS A 36 1.805 -15.760 11.126 1.00 0.00 H new ATOM 0 HE2 LYS A 36 4.513 -16.580 9.993 1.00 0.00 H new ATOM 0 HE3 LYS A 36 3.409 -17.688 10.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 3.069 -17.879 8.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 1.726 -17.030 9.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 2.960 -16.198 8.264 1.00 0.00 H new ATOM 540 N VAL A 37 2.903 -11.659 8.223 1.00 0.00 N ATOM 541 CA VAL A 37 2.428 -11.558 6.832 1.00 0.00 C ATOM 542 C VAL A 37 3.110 -12.610 5.955 1.00 0.00 C ATOM 543 O VAL A 37 4.333 -12.659 5.846 1.00 0.00 O ATOM 544 CB VAL A 37 2.595 -10.130 6.252 1.00 0.00 C ATOM 545 CG1 VAL A 37 1.455 -9.234 6.752 1.00 0.00 C ATOM 546 CG2 VAL A 37 3.940 -9.458 6.589 1.00 0.00 C ATOM 0 H VAL A 37 3.908 -11.820 8.291 1.00 0.00 H new ATOM 0 HA VAL A 37 1.357 -11.760 6.836 1.00 0.00 H new ATOM 0 HB VAL A 37 2.569 -10.247 5.169 1.00 0.00 H new ATOM 0 HG11 VAL A 37 1.575 -8.231 6.343 1.00 0.00 H new ATOM 0 HG12 VAL A 37 0.499 -9.646 6.428 1.00 0.00 H new ATOM 0 HG13 VAL A 37 1.480 -9.187 7.841 1.00 0.00 H new ATOM 0 HG21 VAL A 37 3.971 -8.463 6.144 1.00 0.00 H new ATOM 0 HG22 VAL A 37 4.044 -9.375 7.671 1.00 0.00 H new ATOM 0 HG23 VAL A 37 4.757 -10.060 6.191 1.00 0.00 H new ATOM 556 N SER A 38 2.295 -13.482 5.363 1.00 0.00 N ATOM 557 CA SER A 38 2.726 -14.625 4.552 1.00 0.00 C ATOM 558 C SER A 38 2.671 -14.277 3.057 1.00 0.00 C ATOM 559 O SER A 38 1.600 -14.293 2.443 1.00 0.00 O ATOM 560 CB SER A 38 1.816 -15.825 4.842 1.00 0.00 C ATOM 561 OG SER A 38 1.974 -16.321 6.160 1.00 0.00 O ATOM 0 H SER A 38 1.280 -13.411 5.436 1.00 0.00 H new ATOM 0 HA SER A 38 3.755 -14.874 4.810 1.00 0.00 H new ATOM 0 HB2 SER A 38 0.777 -15.534 4.689 1.00 0.00 H new ATOM 0 HB3 SER A 38 2.032 -16.621 4.130 1.00 0.00 H new ATOM 0 HG SER A 38 1.373 -17.083 6.297 1.00 0.00 H new ATOM 567 N LEU A 39 3.828 -13.974 2.457 1.00 0.00 N ATOM 568 CA LEU A 39 3.945 -13.534 1.056 1.00 0.00 C ATOM 569 C LEU A 39 3.725 -14.657 0.030 1.00 0.00 C ATOM 570 O LEU A 39 3.507 -14.392 -1.156 1.00 0.00 O ATOM 571 CB LEU A 39 5.312 -12.841 0.877 1.00 0.00 C ATOM 572 CG LEU A 39 6.531 -13.797 0.915 1.00 0.00 C ATOM 573 CD1 LEU A 39 7.017 -14.156 -0.495 1.00 0.00 C ATOM 574 CD2 LEU A 39 7.692 -13.145 1.681 1.00 0.00 C ATOM 0 H LEU A 39 4.726 -14.028 2.937 1.00 0.00 H new ATOM 0 HA LEU A 39 3.139 -12.829 0.853 1.00 0.00 H new ATOM 0 HB2 LEU A 39 5.313 -12.310 -0.075 1.00 0.00 H new ATOM 0 HB3 LEU A 39 5.430 -12.092 1.660 1.00 0.00 H new ATOM 0 HG LEU A 39 6.208 -14.709 1.418 1.00 0.00 H new ATOM 0 HD11 LEU A 39 7.873 -14.828 -0.425 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.213 -14.648 -1.043 1.00 0.00 H new ATOM 0 HD13 LEU A 39 7.311 -13.248 -1.021 1.00 0.00 H new ATOM 0 HD21 LEU A 39 8.543 -13.826 1.701 1.00 0.00 H new ATOM 0 HD22 LEU A 39 7.981 -12.218 1.185 1.00 0.00 H new ATOM 0 HD23 LEU A 39 7.378 -12.927 2.702 1.00 0.00 H new ATOM 586 N GLU A 40 3.795 -15.912 0.475 1.00 0.00 N ATOM 587 CA GLU A 40 3.635 -17.115 -0.346 1.00 0.00 C ATOM 588 C GLU A 40 2.281 -17.807 -0.109 1.00 0.00 C ATOM 589 O GLU A 40 1.742 -18.439 -1.019 1.00 0.00 O ATOM 590 CB GLU A 40 4.828 -18.063 -0.119 1.00 0.00 C ATOM 591 CG GLU A 40 4.941 -18.793 1.231 1.00 0.00 C ATOM 592 CD GLU A 40 5.047 -17.867 2.443 1.00 0.00 C ATOM 593 OE1 GLU A 40 3.992 -17.392 2.915 1.00 0.00 O ATOM 594 OE2 GLU A 40 6.172 -17.620 2.941 1.00 0.00 O ATOM 0 H GLU A 40 3.972 -16.128 1.456 1.00 0.00 H new ATOM 0 HA GLU A 40 3.630 -16.818 -1.395 1.00 0.00 H new ATOM 0 HB2 GLU A 40 4.804 -18.819 -0.904 1.00 0.00 H new ATOM 0 HB3 GLU A 40 5.742 -17.486 -0.261 1.00 0.00 H new ATOM 0 HG2 GLU A 40 4.070 -19.437 1.356 1.00 0.00 H new ATOM 0 HG3 GLU A 40 5.816 -19.442 1.207 1.00 0.00 H new ATOM 601 N GLU A 41 1.695 -17.652 1.084 1.00 0.00 N ATOM 602 CA GLU A 41 0.354 -18.161 1.424 1.00 0.00 C ATOM 603 C GLU A 41 -0.754 -17.085 1.431 1.00 0.00 C ATOM 604 O GLU A 41 -1.880 -17.378 1.832 1.00 0.00 O ATOM 605 CB GLU A 41 0.392 -18.923 2.758 1.00 0.00 C ATOM 606 CG GLU A 41 1.271 -20.174 2.702 1.00 0.00 C ATOM 607 CD GLU A 41 1.053 -21.031 3.939 1.00 0.00 C ATOM 608 OE1 GLU A 41 1.710 -20.757 4.976 1.00 0.00 O ATOM 609 OE2 GLU A 41 0.214 -21.960 3.875 1.00 0.00 O ATOM 0 H GLU A 41 2.145 -17.161 1.857 1.00 0.00 H new ATOM 0 HA GLU A 41 0.082 -18.845 0.620 1.00 0.00 H new ATOM 0 HB2 GLU A 41 0.762 -18.259 3.540 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -0.622 -19.209 3.037 1.00 0.00 H new ATOM 0 HG2 GLU A 41 1.038 -20.750 1.807 1.00 0.00 H new ATOM 0 HG3 GLU A 41 2.320 -19.886 2.631 1.00 0.00 H new ATOM 616 N LYS A 42 -0.478 -15.846 1.003 1.00 0.00 N ATOM 617 CA LYS A 42 -1.490 -14.809 0.702 1.00 0.00 C ATOM 618 C LYS A 42 -2.462 -14.530 1.867 1.00 0.00 C ATOM 619 O LYS A 42 -3.689 -14.506 1.704 1.00 0.00 O ATOM 620 CB LYS A 42 -2.217 -15.151 -0.613 1.00 0.00 C ATOM 621 CG LYS A 42 -1.247 -15.148 -1.803 1.00 0.00 C ATOM 622 CD LYS A 42 -1.960 -15.236 -3.157 1.00 0.00 C ATOM 623 CE LYS A 42 -2.676 -16.579 -3.297 1.00 0.00 C ATOM 624 NZ LYS A 42 -3.311 -16.729 -4.624 1.00 0.00 N ATOM 0 H LYS A 42 0.477 -15.523 0.851 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.959 -13.867 0.568 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -2.687 -16.130 -0.527 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -3.014 -14.429 -0.789 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -0.647 -14.239 -1.773 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -0.559 -15.988 -1.706 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -2.679 -14.422 -3.250 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -1.237 -15.116 -3.964 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -1.963 -17.389 -3.142 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -3.434 -16.669 -2.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -3.786 -17.653 -4.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -4.010 -15.971 -4.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -2.584 -16.669 -5.365 1.00 0.00 H new ATOM 638 N ASN A 43 -1.899 -14.353 3.065 1.00 0.00 N ATOM 639 CA ASN A 43 -2.648 -14.049 4.283 1.00 0.00 C ATOM 640 C ASN A 43 -1.824 -13.230 5.290 1.00 0.00 C ATOM 641 O ASN A 43 -0.597 -13.324 5.347 1.00 0.00 O ATOM 642 CB ASN A 43 -3.227 -15.330 4.914 1.00 0.00 C ATOM 643 CG ASN A 43 -2.166 -16.238 5.526 1.00 0.00 C ATOM 644 OD1 ASN A 43 -1.853 -16.159 6.706 1.00 0.00 O ATOM 645 ND2 ASN A 43 -1.573 -17.120 4.748 1.00 0.00 N ATOM 0 H ASN A 43 -0.892 -14.418 3.216 1.00 0.00 H new ATOM 0 HA ASN A 43 -3.488 -13.417 3.994 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -3.946 -15.053 5.685 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -3.774 -15.886 4.153 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -0.855 -17.735 5.130 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -1.832 -17.188 3.764 1.00 0.00 H new ATOM 652 N ALA A 44 -2.526 -12.416 6.075 1.00 0.00 N ATOM 653 CA ALA A 44 -2.001 -11.543 7.116 1.00 0.00 C ATOM 654 C ALA A 44 -2.604 -11.982 8.462 1.00 0.00 C ATOM 655 O ALA A 44 -3.830 -12.024 8.577 1.00 0.00 O ATOM 656 CB ALA A 44 -2.412 -10.111 6.735 1.00 0.00 C ATOM 0 H ALA A 44 -3.540 -12.346 5.994 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.916 -11.593 7.209 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -2.041 -9.414 7.487 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.988 -9.857 5.764 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -3.499 -10.046 6.684 1.00 0.00 H new ATOM 662 N THR A 45 -1.777 -12.323 9.455 1.00 0.00 N ATOM 663 CA THR A 45 -2.200 -12.830 10.774 1.00 0.00 C ATOM 664 C THR A 45 -1.692 -11.890 11.856 1.00 0.00 C ATOM 665 O THR A 45 -0.592 -11.355 11.762 1.00 0.00 O ATOM 666 CB THR A 45 -1.687 -14.257 11.002 1.00 0.00 C ATOM 667 OG1 THR A 45 -2.203 -15.094 9.995 1.00 0.00 O ATOM 668 CG2 THR A 45 -2.130 -14.860 12.335 1.00 0.00 C ATOM 0 H THR A 45 -0.763 -12.254 9.365 1.00 0.00 H new ATOM 0 HA THR A 45 -3.289 -12.866 10.813 1.00 0.00 H new ATOM 0 HB THR A 45 -0.599 -14.193 10.993 1.00 0.00 H new ATOM 0 HG1 THR A 45 -1.879 -16.009 10.132 1.00 0.00 H new ATOM 0 HG21 THR A 45 -1.731 -15.870 12.428 1.00 0.00 H new ATOM 0 HG22 THR A 45 -1.757 -14.245 13.154 1.00 0.00 H new ATOM 0 HG23 THR A 45 -3.219 -14.895 12.374 1.00 0.00 H new ATOM 676 N ILE A 46 -2.489 -11.667 12.896 1.00 0.00 N ATOM 677 CA ILE A 46 -2.196 -10.647 13.907 1.00 0.00 C ATOM 678 C ILE A 46 -2.824 -10.979 15.262 1.00 0.00 C ATOM 679 O ILE A 46 -3.986 -11.390 15.340 1.00 0.00 O ATOM 680 CB ILE A 46 -2.597 -9.253 13.362 1.00 0.00 C ATOM 681 CG1 ILE A 46 -2.080 -8.106 14.256 1.00 0.00 C ATOM 682 CG2 ILE A 46 -4.114 -9.140 13.138 1.00 0.00 C ATOM 683 CD1 ILE A 46 -2.426 -6.718 13.719 1.00 0.00 C ATOM 0 H ILE A 46 -3.353 -12.183 13.065 1.00 0.00 H new ATOM 0 HA ILE A 46 -1.123 -10.631 14.099 1.00 0.00 H new ATOM 0 HB ILE A 46 -2.111 -9.150 12.391 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -2.500 -8.216 15.256 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -0.998 -8.191 14.354 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -4.352 -8.147 12.756 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -4.432 -9.893 12.417 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -4.634 -9.300 14.083 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.033 -5.958 14.395 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -1.983 -6.589 12.731 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -3.509 -6.615 13.647 1.00 0.00 H new ATOM 695 N ILE A 47 -2.040 -10.762 16.321 1.00 0.00 N ATOM 696 CA ILE A 47 -2.472 -10.765 17.725 1.00 0.00 C ATOM 697 C ILE A 47 -2.571 -9.318 18.212 1.00 0.00 C ATOM 698 O ILE A 47 -1.674 -8.507 17.964 1.00 0.00 O ATOM 699 CB ILE A 47 -1.511 -11.588 18.618 1.00 0.00 C ATOM 700 CG1 ILE A 47 -1.422 -13.049 18.114 1.00 0.00 C ATOM 701 CG2 ILE A 47 -1.950 -11.546 20.094 1.00 0.00 C ATOM 702 CD1 ILE A 47 -0.655 -14.006 19.038 1.00 0.00 C ATOM 0 H ILE A 47 -1.043 -10.571 16.221 1.00 0.00 H new ATOM 0 HA ILE A 47 -3.449 -11.244 17.795 1.00 0.00 H new ATOM 0 HB ILE A 47 -0.520 -11.138 18.553 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -2.433 -13.433 17.976 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.944 -13.052 17.135 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -1.257 -12.133 20.697 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -1.951 -10.514 20.444 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -2.953 -11.962 20.187 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -0.646 -15.005 18.601 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.369 -13.653 19.158 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -1.143 -14.040 20.012 1.00 0.00 H new ATOM 714 N TYR A 48 -3.644 -9.009 18.936 1.00 0.00 N ATOM 715 CA TYR A 48 -3.999 -7.668 19.392 1.00 0.00 C ATOM 716 C TYR A 48 -4.704 -7.639 20.763 1.00 0.00 C ATOM 717 O TYR A 48 -5.291 -8.623 21.218 1.00 0.00 O ATOM 718 CB TYR A 48 -4.874 -7.015 18.312 1.00 0.00 C ATOM 719 CG TYR A 48 -6.162 -7.756 17.979 1.00 0.00 C ATOM 720 CD1 TYR A 48 -7.347 -7.493 18.695 1.00 0.00 C ATOM 721 CD2 TYR A 48 -6.180 -8.706 16.939 1.00 0.00 C ATOM 722 CE1 TYR A 48 -8.548 -8.141 18.354 1.00 0.00 C ATOM 723 CE2 TYR A 48 -7.372 -9.381 16.616 1.00 0.00 C ATOM 724 CZ TYR A 48 -8.564 -9.094 17.313 1.00 0.00 C ATOM 725 OH TYR A 48 -9.713 -9.753 16.996 1.00 0.00 O ATOM 0 H TYR A 48 -4.317 -9.715 19.233 1.00 0.00 H new ATOM 0 HA TYR A 48 -3.075 -7.109 19.541 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -5.129 -6.006 18.636 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -4.284 -6.918 17.400 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -7.333 -6.788 19.513 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -5.276 -8.917 16.387 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -9.457 -7.909 18.888 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -7.374 -10.122 15.831 1.00 0.00 H new ATOM 0 HH TYR A 48 -9.542 -10.371 16.255 1.00 0.00 H new ATOM 735 N ASP A 49 -4.664 -6.469 21.398 1.00 0.00 N ATOM 736 CA ASP A 49 -5.313 -6.156 22.668 1.00 0.00 C ATOM 737 C ASP A 49 -6.854 -6.198 22.563 1.00 0.00 C ATOM 738 O ASP A 49 -7.415 -5.444 21.758 1.00 0.00 O ATOM 739 CB ASP A 49 -4.861 -4.754 23.102 1.00 0.00 C ATOM 740 CG ASP A 49 -5.461 -4.333 24.440 1.00 0.00 C ATOM 741 OD1 ASP A 49 -5.500 -5.172 25.368 1.00 0.00 O ATOM 742 OD2 ASP A 49 -5.851 -3.152 24.553 1.00 0.00 O ATOM 0 H ASP A 49 -4.151 -5.673 21.020 1.00 0.00 H new ATOM 0 HA ASP A 49 -5.023 -6.908 23.402 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -3.774 -4.732 23.173 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -5.145 -4.031 22.337 1.00 0.00 H new ATOM 747 N PRO A 50 -7.550 -7.015 23.384 1.00 0.00 N ATOM 748 CA PRO A 50 -9.011 -7.058 23.434 1.00 0.00 C ATOM 749 C PRO A 50 -9.657 -5.702 23.736 1.00 0.00 C ATOM 750 O PRO A 50 -10.733 -5.410 23.221 1.00 0.00 O ATOM 751 CB PRO A 50 -9.358 -8.063 24.540 1.00 0.00 C ATOM 752 CG PRO A 50 -8.125 -8.953 24.639 1.00 0.00 C ATOM 753 CD PRO A 50 -6.982 -8.013 24.280 1.00 0.00 C ATOM 0 HA PRO A 50 -9.399 -7.345 22.457 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -9.563 -7.560 25.485 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -10.247 -8.641 24.288 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -8.006 -9.365 25.641 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -8.182 -9.797 23.952 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -6.567 -7.545 25.172 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -6.169 -8.554 23.796 1.00 0.00 H new ATOM 761 N LYS A 51 -9.010 -4.877 24.569 1.00 0.00 N ATOM 762 CA LYS A 51 -9.568 -3.599 25.037 1.00 0.00 C ATOM 763 C LYS A 51 -9.586 -2.507 23.946 1.00 0.00 C ATOM 764 O LYS A 51 -10.651 -1.975 23.631 1.00 0.00 O ATOM 765 CB LYS A 51 -8.802 -3.110 26.278 1.00 0.00 C ATOM 766 CG LYS A 51 -8.698 -4.131 27.426 1.00 0.00 C ATOM 767 CD LYS A 51 -7.732 -3.640 28.513 1.00 0.00 C ATOM 768 CE LYS A 51 -6.279 -3.651 28.008 1.00 0.00 C ATOM 769 NZ LYS A 51 -5.340 -3.098 29.008 1.00 0.00 N ATOM 0 H LYS A 51 -8.081 -5.077 24.940 1.00 0.00 H new ATOM 0 HA LYS A 51 -10.609 -3.787 25.299 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -7.795 -2.824 25.975 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -9.289 -2.211 26.655 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -9.684 -4.298 27.859 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -8.355 -5.089 27.035 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -8.006 -2.630 28.819 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -7.819 -4.275 29.395 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -5.988 -4.673 27.764 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -6.211 -3.071 27.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -4.373 -3.124 28.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -5.601 -2.115 29.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -5.385 -3.666 29.878 1.00 0.00 H new ATOM 783 N LEU A 52 -8.424 -2.135 23.385 1.00 0.00 N ATOM 784 CA LEU A 52 -8.282 -0.971 22.488 1.00 0.00 C ATOM 785 C LEU A 52 -8.491 -1.287 20.996 1.00 0.00 C ATOM 786 O LEU A 52 -8.687 -0.362 20.203 1.00 0.00 O ATOM 787 CB LEU A 52 -6.878 -0.359 22.702 1.00 0.00 C ATOM 788 CG LEU A 52 -6.767 0.674 23.846 1.00 0.00 C ATOM 789 CD1 LEU A 52 -7.236 0.165 25.218 1.00 0.00 C ATOM 790 CD2 LEU A 52 -5.308 1.136 23.958 1.00 0.00 C ATOM 0 H LEU A 52 -7.549 -2.636 23.541 1.00 0.00 H new ATOM 0 HA LEU A 52 -9.074 -0.270 22.750 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -6.175 -1.168 22.898 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -6.564 0.118 21.774 1.00 0.00 H new ATOM 0 HG LEU A 52 -7.438 1.491 23.582 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -7.122 0.957 25.958 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -8.284 -0.128 25.159 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -6.635 -0.696 25.512 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -5.218 1.866 24.763 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -4.670 0.279 24.173 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -4.998 1.593 23.018 1.00 0.00 H new ATOM 802 N GLN A 53 -8.379 -2.552 20.584 1.00 0.00 N ATOM 803 CA GLN A 53 -8.137 -2.918 19.184 1.00 0.00 C ATOM 804 C GLN A 53 -9.316 -3.700 18.561 1.00 0.00 C ATOM 805 O GLN A 53 -10.063 -4.384 19.273 1.00 0.00 O ATOM 806 CB GLN A 53 -6.798 -3.689 19.132 1.00 0.00 C ATOM 807 CG GLN A 53 -5.834 -3.222 18.031 1.00 0.00 C ATOM 808 CD GLN A 53 -6.429 -3.425 16.649 1.00 0.00 C ATOM 809 OE1 GLN A 53 -6.908 -2.488 16.033 1.00 0.00 O ATOM 810 NE2 GLN A 53 -6.550 -4.643 16.172 1.00 0.00 N ATOM 0 H GLN A 53 -8.453 -3.353 21.211 1.00 0.00 H new ATOM 0 HA GLN A 53 -8.064 -2.021 18.569 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -6.301 -3.593 20.097 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -7.009 -4.748 18.987 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -5.598 -2.168 18.176 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -4.896 -3.772 18.109 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -6.152 -5.432 16.681 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -7.042 -4.800 15.292 1.00 0.00 H new ATOM 819 N THR A 54 -9.479 -3.599 17.228 1.00 0.00 N ATOM 820 CA THR A 54 -10.577 -4.186 16.436 1.00 0.00 C ATOM 821 C THR A 54 -10.088 -4.879 15.155 1.00 0.00 C ATOM 822 O THR A 54 -9.036 -4.509 14.624 1.00 0.00 O ATOM 823 CB THR A 54 -11.593 -3.124 15.994 1.00 0.00 C ATOM 824 OG1 THR A 54 -10.959 -2.142 15.206 1.00 0.00 O ATOM 825 CG2 THR A 54 -12.297 -2.446 17.158 1.00 0.00 C ATOM 0 H THR A 54 -8.819 -3.082 16.647 1.00 0.00 H new ATOM 0 HA THR A 54 -11.034 -4.916 17.104 1.00 0.00 H new ATOM 0 HB THR A 54 -12.352 -3.651 15.415 1.00 0.00 H new ATOM 0 HG1 THR A 54 -11.617 -1.471 14.928 1.00 0.00 H new ATOM 0 HG21 THR A 54 -13.001 -1.707 16.777 1.00 0.00 H new ATOM 0 HG22 THR A 54 -12.835 -3.192 17.742 1.00 0.00 H new ATOM 0 HG23 THR A 54 -11.560 -1.952 17.791 1.00 0.00 H new ATOM 833 N PRO A 55 -10.876 -5.818 14.591 1.00 0.00 N ATOM 834 CA PRO A 55 -10.705 -6.317 13.223 1.00 0.00 C ATOM 835 C PRO A 55 -10.988 -5.251 12.149 1.00 0.00 C ATOM 836 O PRO A 55 -10.348 -5.258 11.099 1.00 0.00 O ATOM 837 CB PRO A 55 -11.678 -7.496 13.088 1.00 0.00 C ATOM 838 CG PRO A 55 -11.977 -7.894 14.531 1.00 0.00 C ATOM 839 CD PRO A 55 -11.938 -6.555 15.258 1.00 0.00 C ATOM 0 HA PRO A 55 -9.668 -6.611 13.059 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -12.585 -7.206 12.558 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -11.232 -8.320 12.531 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -12.949 -8.379 14.625 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -11.235 -8.590 14.922 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -12.892 -6.033 15.184 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -11.727 -6.684 16.320 1.00 0.00 H new ATOM 847 N LYS A 56 -11.907 -4.307 12.414 1.00 0.00 N ATOM 848 CA LYS A 56 -12.231 -3.186 11.516 1.00 0.00 C ATOM 849 C LYS A 56 -10.968 -2.429 11.081 1.00 0.00 C ATOM 850 O LYS A 56 -10.690 -2.315 9.882 1.00 0.00 O ATOM 851 CB LYS A 56 -13.228 -2.265 12.238 1.00 0.00 C ATOM 852 CG LYS A 56 -13.559 -0.996 11.435 1.00 0.00 C ATOM 853 CD LYS A 56 -14.544 -0.130 12.227 1.00 0.00 C ATOM 854 CE LYS A 56 -14.813 1.219 11.555 1.00 0.00 C ATOM 855 NZ LYS A 56 -13.634 2.120 11.578 1.00 0.00 N ATOM 0 H LYS A 56 -12.455 -4.302 13.274 1.00 0.00 H new ATOM 0 HA LYS A 56 -12.684 -3.566 10.601 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -14.148 -2.816 12.433 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -12.816 -1.979 13.206 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -12.647 -0.434 11.231 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -13.990 -1.265 10.471 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -15.485 -0.669 12.342 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -14.149 0.039 13.229 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -15.115 1.051 10.521 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -15.648 1.709 12.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -13.944 3.102 11.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -13.155 2.041 12.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -12.975 1.849 10.820 1.00 0.00 H new ATOM 869 N THR A 57 -10.177 -1.966 12.057 1.00 0.00 N ATOM 870 CA THR A 57 -8.920 -1.227 11.852 1.00 0.00 C ATOM 871 C THR A 57 -7.958 -1.968 10.937 1.00 0.00 C ATOM 872 O THR A 57 -7.330 -1.329 10.097 1.00 0.00 O ATOM 873 CB THR A 57 -8.291 -0.946 13.218 1.00 0.00 C ATOM 874 OG1 THR A 57 -9.176 -0.067 13.864 1.00 0.00 O ATOM 875 CG2 THR A 57 -6.922 -0.267 13.178 1.00 0.00 C ATOM 0 H THR A 57 -10.399 -2.098 13.044 1.00 0.00 H new ATOM 0 HA THR A 57 -9.142 -0.286 11.349 1.00 0.00 H new ATOM 0 HB THR A 57 -8.134 -1.904 13.714 1.00 0.00 H new ATOM 0 HG1 THR A 57 -9.834 -0.583 14.375 1.00 0.00 H new ATOM 0 HG21 THR A 57 -6.563 -0.112 14.195 1.00 0.00 H new ATOM 0 HG22 THR A 57 -6.218 -0.899 12.637 1.00 0.00 H new ATOM 0 HG23 THR A 57 -7.008 0.695 12.673 1.00 0.00 H new ATOM 883 N LEU A 58 -7.881 -3.297 11.058 1.00 0.00 N ATOM 884 CA LEU A 58 -6.975 -4.146 10.285 1.00 0.00 C ATOM 885 C LEU A 58 -7.388 -4.259 8.812 1.00 0.00 C ATOM 886 O LEU A 58 -6.508 -4.314 7.964 1.00 0.00 O ATOM 887 CB LEU A 58 -6.885 -5.522 10.972 1.00 0.00 C ATOM 888 CG LEU A 58 -5.963 -5.639 12.211 1.00 0.00 C ATOM 889 CD1 LEU A 58 -5.709 -4.351 13.011 1.00 0.00 C ATOM 890 CD2 LEU A 58 -6.535 -6.701 13.161 1.00 0.00 C ATOM 0 H LEU A 58 -8.461 -3.823 11.712 1.00 0.00 H new ATOM 0 HA LEU A 58 -5.987 -3.686 10.268 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -7.891 -5.816 11.271 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -6.548 -6.247 10.231 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.990 -5.908 11.800 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -5.049 -4.569 13.851 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -5.241 -3.608 12.365 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -6.656 -3.962 13.385 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -5.892 -6.790 14.037 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -7.537 -6.407 13.475 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -6.583 -7.661 12.647 1.00 0.00 H new ATOM 902 N GLN A 59 -8.686 -4.254 8.485 1.00 0.00 N ATOM 903 CA GLN A 59 -9.140 -4.149 7.090 1.00 0.00 C ATOM 904 C GLN A 59 -8.897 -2.748 6.518 1.00 0.00 C ATOM 905 O GLN A 59 -8.300 -2.621 5.451 1.00 0.00 O ATOM 906 CB GLN A 59 -10.631 -4.495 6.955 1.00 0.00 C ATOM 907 CG GLN A 59 -10.960 -5.948 7.305 1.00 0.00 C ATOM 908 CD GLN A 59 -12.415 -6.284 6.961 1.00 0.00 C ATOM 909 OE1 GLN A 59 -13.347 -5.913 7.668 1.00 0.00 O ATOM 910 NE2 GLN A 59 -12.675 -6.958 5.858 1.00 0.00 N ATOM 0 H GLN A 59 -9.442 -4.321 9.167 1.00 0.00 H new ATOM 0 HA GLN A 59 -8.553 -4.870 6.521 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -11.208 -3.835 7.603 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -10.950 -4.296 5.932 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -10.291 -6.616 6.762 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -10.786 -6.117 8.368 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -11.911 -7.273 5.261 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -13.641 -7.165 5.602 1.00 0.00 H new ATOM 919 N GLU A 60 -9.343 -1.699 7.218 1.00 0.00 N ATOM 920 CA GLU A 60 -9.280 -0.310 6.732 1.00 0.00 C ATOM 921 C GLU A 60 -7.842 0.210 6.582 1.00 0.00 C ATOM 922 O GLU A 60 -7.591 1.152 5.831 1.00 0.00 O ATOM 923 CB GLU A 60 -10.079 0.607 7.671 1.00 0.00 C ATOM 924 CG GLU A 60 -11.563 0.223 7.690 1.00 0.00 C ATOM 925 CD GLU A 60 -12.437 1.206 8.474 1.00 0.00 C ATOM 926 OE1 GLU A 60 -11.938 1.850 9.427 1.00 0.00 O ATOM 927 OE2 GLU A 60 -13.640 1.365 8.148 1.00 0.00 O ATOM 0 H GLU A 60 -9.761 -1.787 8.144 1.00 0.00 H new ATOM 0 HA GLU A 60 -9.721 -0.301 5.735 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -9.671 0.543 8.680 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -9.973 1.643 7.349 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -11.928 0.162 6.665 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -11.668 -0.771 8.125 1.00 0.00 H new ATOM 934 N ALA A 61 -6.890 -0.427 7.265 1.00 0.00 N ATOM 935 CA ALA A 61 -5.454 -0.204 7.077 1.00 0.00 C ATOM 936 C ALA A 61 -4.943 -0.694 5.708 1.00 0.00 C ATOM 937 O ALA A 61 -4.110 -0.030 5.098 1.00 0.00 O ATOM 938 CB ALA A 61 -4.690 -0.879 8.224 1.00 0.00 C ATOM 0 H ALA A 61 -7.098 -1.126 7.978 1.00 0.00 H new ATOM 0 HA ALA A 61 -5.276 0.871 7.092 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -3.620 -0.718 8.093 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -5.007 -0.450 9.175 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -4.899 -1.949 8.221 1.00 0.00 H new ATOM 944 N ILE A 62 -5.433 -1.828 5.190 1.00 0.00 N ATOM 945 CA ILE A 62 -5.026 -2.315 3.854 1.00 0.00 C ATOM 946 C ILE A 62 -5.582 -1.407 2.753 1.00 0.00 C ATOM 947 O ILE A 62 -4.962 -1.238 1.704 1.00 0.00 O ATOM 948 CB ILE A 62 -5.477 -3.778 3.603 1.00 0.00 C ATOM 949 CG1 ILE A 62 -5.256 -4.736 4.794 1.00 0.00 C ATOM 950 CG2 ILE A 62 -4.779 -4.341 2.349 1.00 0.00 C ATOM 951 CD1 ILE A 62 -3.840 -4.742 5.380 1.00 0.00 C ATOM 0 H ILE A 62 -6.108 -2.426 5.668 1.00 0.00 H new ATOM 0 HA ILE A 62 -3.937 -2.290 3.827 1.00 0.00 H new ATOM 0 HB ILE A 62 -6.556 -3.726 3.457 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -5.957 -4.472 5.586 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -5.503 -5.748 4.474 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -5.103 -5.368 2.183 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -5.041 -3.733 1.483 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -3.699 -4.320 2.494 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -3.793 -5.447 6.210 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -3.129 -5.040 4.610 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -3.590 -3.743 5.738 1.00 0.00 H new ATOM 963 N ASP A 63 -6.755 -0.826 2.995 1.00 0.00 N ATOM 964 CA ASP A 63 -7.541 -0.028 2.052 1.00 0.00 C ATOM 965 C ASP A 63 -6.882 1.313 1.655 1.00 0.00 C ATOM 966 O ASP A 63 -7.321 1.948 0.697 1.00 0.00 O ATOM 967 CB ASP A 63 -8.933 0.167 2.681 1.00 0.00 C ATOM 968 CG ASP A 63 -10.014 0.539 1.670 1.00 0.00 C ATOM 969 OD1 ASP A 63 -10.122 -0.125 0.614 1.00 0.00 O ATOM 970 OD2 ASP A 63 -10.810 1.465 1.963 1.00 0.00 O ATOM 0 H ASP A 63 -7.209 -0.903 3.905 1.00 0.00 H new ATOM 0 HA ASP A 63 -7.611 -0.563 1.105 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -9.224 -0.752 3.190 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -8.873 0.947 3.440 1.00 0.00 H new ATOM 975 N ASP A 64 -5.809 1.729 2.341 1.00 0.00 N ATOM 976 CA ASP A 64 -4.918 2.825 1.925 1.00 0.00 C ATOM 977 C ASP A 64 -4.118 2.486 0.652 1.00 0.00 C ATOM 978 O ASP A 64 -3.855 3.369 -0.172 1.00 0.00 O ATOM 979 CB ASP A 64 -3.988 3.205 3.092 1.00 0.00 C ATOM 980 CG ASP A 64 -4.707 4.117 4.093 1.00 0.00 C ATOM 981 OD1 ASP A 64 -4.995 5.285 3.730 1.00 0.00 O ATOM 982 OD2 ASP A 64 -5.000 3.678 5.231 1.00 0.00 O ATOM 0 H ASP A 64 -5.528 1.303 3.224 1.00 0.00 H new ATOM 0 HA ASP A 64 -5.538 3.684 1.668 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -3.646 2.302 3.598 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -3.102 3.709 2.706 1.00 0.00 H new ATOM 987 N MET A 65 -3.791 1.206 0.453 1.00 0.00 N ATOM 988 CA MET A 65 -3.147 0.676 -0.754 1.00 0.00 C ATOM 989 C MET A 65 -4.210 0.175 -1.760 1.00 0.00 C ATOM 990 O MET A 65 -5.391 0.529 -1.673 1.00 0.00 O ATOM 991 CB MET A 65 -2.120 -0.410 -0.355 1.00 0.00 C ATOM 992 CG MET A 65 -0.939 0.116 0.483 1.00 0.00 C ATOM 993 SD MET A 65 -1.257 0.509 2.225 1.00 0.00 S ATOM 994 CE MET A 65 -1.499 -1.164 2.872 1.00 0.00 C ATOM 0 H MET A 65 -3.973 0.485 1.151 1.00 0.00 H new ATOM 0 HA MET A 65 -2.597 1.466 -1.266 1.00 0.00 H new ATOM 0 HB2 MET A 65 -2.633 -1.189 0.209 1.00 0.00 H new ATOM 0 HB3 MET A 65 -1.730 -0.876 -1.260 1.00 0.00 H new ATOM 0 HG2 MET A 65 -0.143 -0.628 0.446 1.00 0.00 H new ATOM 0 HG3 MET A 65 -0.558 1.015 -0.000 1.00 0.00 H new ATOM 0 HE1 MET A 65 -1.879 -1.108 3.892 1.00 0.00 H new ATOM 0 HE2 MET A 65 -2.215 -1.696 2.246 1.00 0.00 H new ATOM 0 HE3 MET A 65 -0.548 -1.697 2.868 1.00 0.00 H new ATOM 1004 N GLY A 66 -3.805 -0.662 -2.723 1.00 0.00 N ATOM 1005 CA GLY A 66 -4.678 -1.293 -3.721 1.00 0.00 C ATOM 1006 C GLY A 66 -4.582 -2.815 -3.685 1.00 0.00 C ATOM 1007 O GLY A 66 -4.000 -3.401 -4.597 1.00 0.00 O ATOM 0 H GLY A 66 -2.826 -0.928 -2.833 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -5.710 -0.991 -3.543 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -4.409 -0.936 -4.715 1.00 0.00 H new ATOM 1011 N PHE A 67 -5.142 -3.441 -2.645 1.00 0.00 N ATOM 1012 CA PHE A 67 -5.252 -4.899 -2.485 1.00 0.00 C ATOM 1013 C PHE A 67 -6.681 -5.285 -2.054 1.00 0.00 C ATOM 1014 O PHE A 67 -7.544 -4.421 -1.884 1.00 0.00 O ATOM 1015 CB PHE A 67 -4.222 -5.383 -1.446 1.00 0.00 C ATOM 1016 CG PHE A 67 -2.763 -5.078 -1.742 1.00 0.00 C ATOM 1017 CD1 PHE A 67 -2.143 -5.620 -2.884 1.00 0.00 C ATOM 1018 CD2 PHE A 67 -2.003 -4.305 -0.841 1.00 0.00 C ATOM 1019 CE1 PHE A 67 -0.772 -5.402 -3.118 1.00 0.00 C ATOM 1020 CE2 PHE A 67 -0.633 -4.090 -1.073 1.00 0.00 C ATOM 1021 CZ PHE A 67 -0.014 -4.650 -2.204 1.00 0.00 C ATOM 0 H PHE A 67 -5.547 -2.929 -1.861 1.00 0.00 H new ATOM 0 HA PHE A 67 -5.044 -5.381 -3.440 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -4.475 -4.939 -0.483 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -4.329 -6.462 -1.337 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -2.722 -6.205 -3.583 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -2.475 -3.876 0.031 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -0.303 -5.813 -4.000 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -0.056 -3.494 -0.382 1.00 0.00 H new ATOM 0 HZ PHE A 67 1.043 -4.503 -2.370 1.00 0.00 H new ATOM 1031 N ASP A 68 -6.952 -6.573 -1.847 1.00 0.00 N ATOM 1032 CA ASP A 68 -8.228 -7.091 -1.322 1.00 0.00 C ATOM 1033 C ASP A 68 -8.024 -7.818 0.021 1.00 0.00 C ATOM 1034 O ASP A 68 -7.097 -8.622 0.151 1.00 0.00 O ATOM 1035 CB ASP A 68 -8.852 -8.015 -2.374 1.00 0.00 C ATOM 1036 CG ASP A 68 -9.249 -7.229 -3.625 1.00 0.00 C ATOM 1037 OD1 ASP A 68 -10.376 -6.688 -3.665 1.00 0.00 O ATOM 1038 OD2 ASP A 68 -8.430 -7.133 -4.572 1.00 0.00 O ATOM 0 H ASP A 68 -6.275 -7.311 -2.043 1.00 0.00 H new ATOM 0 HA ASP A 68 -8.907 -6.261 -1.126 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -8.143 -8.799 -2.642 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -9.730 -8.508 -1.956 1.00 0.00 H new ATOM 1043 N ALA A 69 -8.880 -7.519 1.013 1.00 0.00 N ATOM 1044 CA ALA A 69 -8.695 -7.927 2.412 1.00 0.00 C ATOM 1045 C ALA A 69 -10.020 -8.255 3.142 1.00 0.00 C ATOM 1046 O ALA A 69 -10.730 -7.366 3.622 1.00 0.00 O ATOM 1047 CB ALA A 69 -7.921 -6.801 3.112 1.00 0.00 C ATOM 0 H ALA A 69 -9.732 -6.979 0.861 1.00 0.00 H new ATOM 0 HA ALA A 69 -8.136 -8.862 2.441 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -7.762 -7.065 4.158 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -6.957 -6.662 2.622 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -8.494 -5.875 3.054 1.00 0.00 H new ATOM 1053 N VAL A 70 -10.334 -9.543 3.275 1.00 0.00 N ATOM 1054 CA VAL A 70 -11.548 -10.104 3.879 1.00 0.00 C ATOM 1055 C VAL A 70 -11.119 -10.954 5.071 1.00 0.00 C ATOM 1056 O VAL A 70 -10.118 -11.674 5.006 1.00 0.00 O ATOM 1057 CB VAL A 70 -12.329 -10.961 2.853 1.00 0.00 C ATOM 1058 CG1 VAL A 70 -13.565 -11.630 3.477 1.00 0.00 C ATOM 1059 CG2 VAL A 70 -12.795 -10.090 1.671 1.00 0.00 C ATOM 0 H VAL A 70 -9.706 -10.274 2.942 1.00 0.00 H new ATOM 0 HA VAL A 70 -12.213 -9.303 4.201 1.00 0.00 H new ATOM 0 HB VAL A 70 -11.645 -11.738 2.511 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -14.081 -12.220 2.719 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -13.253 -12.281 4.294 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -14.239 -10.864 3.861 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -13.343 -10.707 0.958 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -13.445 -9.296 2.038 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -11.928 -9.650 1.179 1.00 0.00 H new ATOM 1069 N ILE A 71 -11.846 -10.834 6.184 1.00 0.00 N ATOM 1070 CA ILE A 71 -11.460 -11.494 7.435 1.00 0.00 C ATOM 1071 C ILE A 71 -11.801 -12.988 7.391 1.00 0.00 C ATOM 1072 O ILE A 71 -12.931 -13.370 7.071 1.00 0.00 O ATOM 1073 CB ILE A 71 -12.099 -10.781 8.654 1.00 0.00 C ATOM 1074 CG1 ILE A 71 -11.454 -9.395 8.880 1.00 0.00 C ATOM 1075 CG2 ILE A 71 -11.966 -11.627 9.935 1.00 0.00 C ATOM 1076 CD1 ILE A 71 -12.352 -8.453 9.685 1.00 0.00 C ATOM 0 H ILE A 71 -12.705 -10.287 6.245 1.00 0.00 H new ATOM 0 HA ILE A 71 -10.379 -11.416 7.550 1.00 0.00 H new ATOM 0 HB ILE A 71 -13.158 -10.651 8.433 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -10.505 -9.520 9.401 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -11.230 -8.941 7.915 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -12.425 -11.097 10.770 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -12.468 -12.584 9.793 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -10.911 -11.799 10.150 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -11.850 -7.494 9.814 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -13.291 -8.302 9.153 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -12.555 -8.891 10.662 1.00 0.00 H new ATOM 1088 N HIS A 72 -10.839 -13.835 7.752 1.00 0.00 N ATOM 1089 CA HIS A 72 -10.881 -15.282 7.547 1.00 0.00 C ATOM 1090 C HIS A 72 -10.143 -16.026 8.689 1.00 0.00 C ATOM 1091 O HIS A 72 -10.309 -15.625 9.846 1.00 0.00 O ATOM 1092 CB HIS A 72 -10.400 -15.564 6.115 1.00 0.00 C ATOM 1093 CG HIS A 72 -10.927 -16.854 5.550 1.00 0.00 C ATOM 1094 ND1 HIS A 72 -10.175 -17.855 4.990 1.00 0.00 N ATOM 1095 CD2 HIS A 72 -12.241 -17.223 5.435 1.00 0.00 C ATOM 1096 CE1 HIS A 72 -11.010 -18.809 4.552 1.00 0.00 C ATOM 1097 NE2 HIS A 72 -12.288 -18.474 4.809 1.00 0.00 N ATOM 0 H HIS A 72 -9.982 -13.524 8.209 1.00 0.00 H new ATOM 0 HA HIS A 72 -11.891 -15.685 7.615 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -10.706 -14.741 5.469 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -9.310 -15.590 6.104 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -13.092 -16.649 5.769 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -10.700 -19.720 4.061 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -13.121 -19.021 4.592 1.00 0.00 H new ATOM 1105 N ASN A 73 -9.394 -17.114 8.434 1.00 0.00 N ATOM 1106 CA ASN A 73 -8.864 -18.022 9.477 1.00 0.00 C ATOM 1107 C ASN A 73 -7.784 -19.001 8.975 1.00 0.00 C ATOM 1108 O ASN A 73 -7.055 -19.585 9.812 1.00 0.00 O ATOM 1109 CB ASN A 73 -10.069 -18.746 10.145 1.00 0.00 C ATOM 1110 CG ASN A 73 -9.782 -19.411 11.479 1.00 0.00 C ATOM 1111 OD1 ASN A 73 -10.275 -20.501 11.754 1.00 0.00 O ATOM 1112 ND2 ASN A 73 -9.075 -18.762 12.370 1.00 0.00 N ATOM 1113 OXT ASN A 73 -7.650 -19.175 7.743 1.00 0.00 O ATOM 0 H ASN A 73 -9.135 -17.394 7.488 1.00 0.00 H new ATOM 0 HA ASN A 73 -8.333 -17.423 10.216 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -10.871 -18.022 10.286 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -10.442 -19.503 9.455 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -8.932 -19.162 13.297 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -8.667 -17.857 12.137 1.00 0.00 H new TER 1120 ASN A 73 ATOM 1121 N MET B 74 -2.418 17.147 -22.785 1.00 0.00 N ATOM 1122 CA MET B 74 -1.808 16.800 -21.481 1.00 0.00 C ATOM 1123 C MET B 74 -0.282 16.747 -21.563 1.00 0.00 C ATOM 1124 O MET B 74 0.247 16.167 -22.513 1.00 0.00 O ATOM 1125 CB MET B 74 -2.338 15.478 -20.892 1.00 0.00 C ATOM 1126 CG MET B 74 -2.081 14.258 -21.784 1.00 0.00 C ATOM 1127 SD MET B 74 -2.902 12.735 -21.266 1.00 0.00 S ATOM 1128 CE MET B 74 -2.460 11.711 -22.689 1.00 0.00 C ATOM 0 HA MET B 74 -2.104 17.604 -20.807 1.00 0.00 H new ATOM 0 HB2 MET B 74 -1.873 15.311 -19.921 1.00 0.00 H new ATOM 0 HB3 MET B 74 -3.410 15.571 -20.720 1.00 0.00 H new ATOM 0 HG2 MET B 74 -2.401 14.497 -22.798 1.00 0.00 H new ATOM 0 HG3 MET B 74 -1.007 14.077 -21.823 1.00 0.00 H new ATOM 0 HE1 MET B 74 -2.434 10.663 -22.389 1.00 0.00 H new ATOM 0 HE2 MET B 74 -3.201 11.845 -23.477 1.00 0.00 H new ATOM 0 HE3 MET B 74 -1.478 12.007 -23.059 1.00 0.00 H new ATOM 1140 N PRO B 75 0.431 17.278 -20.554 1.00 0.00 N ATOM 1141 CA PRO B 75 1.880 17.149 -20.445 1.00 0.00 C ATOM 1142 C PRO B 75 2.280 15.737 -19.995 1.00 0.00 C ATOM 1143 O PRO B 75 1.472 14.999 -19.432 1.00 0.00 O ATOM 1144 CB PRO B 75 2.292 18.208 -19.418 1.00 0.00 C ATOM 1145 CG PRO B 75 1.086 18.246 -18.480 1.00 0.00 C ATOM 1146 CD PRO B 75 -0.102 18.002 -19.408 1.00 0.00 C ATOM 0 HA PRO B 75 2.379 17.300 -21.402 1.00 0.00 H new ATOM 0 HB2 PRO B 75 3.206 17.930 -18.893 1.00 0.00 H new ATOM 0 HB3 PRO B 75 2.474 19.176 -19.884 1.00 0.00 H new ATOM 0 HG2 PRO B 75 1.155 17.480 -17.708 1.00 0.00 H new ATOM 0 HG3 PRO B 75 1.005 19.206 -17.970 1.00 0.00 H new ATOM 0 HD2 PRO B 75 -0.878 17.423 -18.906 1.00 0.00 H new ATOM 0 HD3 PRO B 75 -0.556 18.943 -19.717 1.00 0.00 H new ATOM 1154 N LYS B 76 3.545 15.371 -20.232 1.00 0.00 N ATOM 1155 CA LYS B 76 4.193 14.179 -19.670 1.00 0.00 C ATOM 1156 C LYS B 76 5.048 14.563 -18.439 1.00 0.00 C ATOM 1157 O LYS B 76 5.806 15.539 -18.485 1.00 0.00 O ATOM 1158 CB LYS B 76 5.078 13.442 -20.710 1.00 0.00 C ATOM 1159 CG LYS B 76 5.012 13.810 -22.208 1.00 0.00 C ATOM 1160 CD LYS B 76 3.866 13.190 -23.020 1.00 0.00 C ATOM 1161 CE LYS B 76 2.528 13.919 -22.876 1.00 0.00 C ATOM 1162 NZ LYS B 76 1.521 13.352 -23.803 1.00 0.00 N ATOM 0 H LYS B 76 4.164 15.911 -20.837 1.00 0.00 H new ATOM 0 HA LYS B 76 3.398 13.497 -19.370 1.00 0.00 H new ATOM 0 HB2 LYS B 76 6.114 13.568 -20.395 1.00 0.00 H new ATOM 0 HB3 LYS B 76 4.847 12.380 -20.631 1.00 0.00 H new ATOM 0 HG2 LYS B 76 4.939 14.895 -22.289 1.00 0.00 H new ATOM 0 HG3 LYS B 76 5.954 13.519 -22.672 1.00 0.00 H new ATOM 0 HD2 LYS B 76 4.148 13.176 -24.073 1.00 0.00 H new ATOM 0 HD3 LYS B 76 3.737 12.153 -22.711 1.00 0.00 H new ATOM 0 HE2 LYS B 76 2.172 13.836 -21.849 1.00 0.00 H new ATOM 0 HE3 LYS B 76 2.663 14.981 -23.082 1.00 0.00 H new ATOM 0 HZ1 LYS B 76 0.578 13.713 -23.554 1.00 0.00 H new ATOM 0 HZ2 LYS B 76 1.752 13.630 -24.778 1.00 0.00 H new ATOM 0 HZ3 LYS B 76 1.526 12.315 -23.728 1.00 0.00 H new ATOM 1176 N HIS B 77 4.981 13.771 -17.369 1.00 0.00 N ATOM 1177 CA HIS B 77 5.748 13.923 -16.128 1.00 0.00 C ATOM 1178 C HIS B 77 6.375 12.583 -15.680 1.00 0.00 C ATOM 1179 O HIS B 77 5.986 11.517 -16.171 1.00 0.00 O ATOM 1180 CB HIS B 77 4.789 14.402 -15.028 1.00 0.00 C ATOM 1181 CG HIS B 77 4.156 15.753 -15.242 1.00 0.00 C ATOM 1182 ND1 HIS B 77 4.599 16.953 -14.731 1.00 0.00 N ATOM 1183 CD2 HIS B 77 2.909 15.976 -15.763 1.00 0.00 C ATOM 1184 CE1 HIS B 77 3.629 17.863 -14.905 1.00 0.00 C ATOM 1185 NE2 HIS B 77 2.570 17.312 -15.519 1.00 0.00 N ATOM 0 H HIS B 77 4.359 12.963 -17.341 1.00 0.00 H new ATOM 0 HA HIS B 77 6.553 14.638 -16.302 1.00 0.00 H new ATOM 0 HB2 HIS B 77 3.994 13.664 -14.921 1.00 0.00 H new ATOM 0 HB3 HIS B 77 5.333 14.424 -14.084 1.00 0.00 H new ATOM 0 HD2 HIS B 77 2.295 15.248 -16.273 1.00 0.00 H new ATOM 0 HE1 HIS B 77 3.691 18.895 -14.594 1.00 0.00 H new ATOM 0 HE2 HIS B 77 1.693 17.775 -15.760 1.00 0.00 H new ATOM 1193 N GLU B 78 7.294 12.616 -14.706 1.00 0.00 N ATOM 1194 CA GLU B 78 7.870 11.427 -14.061 1.00 0.00 C ATOM 1195 C GLU B 78 7.917 11.587 -12.533 1.00 0.00 C ATOM 1196 O GLU B 78 8.104 12.689 -12.016 1.00 0.00 O ATOM 1197 CB GLU B 78 9.285 11.158 -14.601 1.00 0.00 C ATOM 1198 CG GLU B 78 9.277 10.578 -16.023 1.00 0.00 C ATOM 1199 CD GLU B 78 10.682 10.558 -16.611 1.00 0.00 C ATOM 1200 OE1 GLU B 78 11.225 11.648 -16.889 1.00 0.00 O ATOM 1201 OE2 GLU B 78 11.302 9.481 -16.772 1.00 0.00 O ATOM 0 H GLU B 78 7.667 13.490 -14.335 1.00 0.00 H new ATOM 0 HA GLU B 78 7.228 10.578 -14.296 1.00 0.00 H new ATOM 0 HB2 GLU B 78 9.854 12.088 -14.595 1.00 0.00 H new ATOM 0 HB3 GLU B 78 9.799 10.466 -13.934 1.00 0.00 H new ATOM 0 HG2 GLU B 78 8.872 9.566 -16.005 1.00 0.00 H new ATOM 0 HG3 GLU B 78 8.621 11.173 -16.659 1.00 0.00 H new ATOM 1208 N PHE B 79 7.761 10.468 -11.818 1.00 0.00 N ATOM 1209 CA PHE B 79 7.742 10.353 -10.355 1.00 0.00 C ATOM 1210 C PHE B 79 8.458 9.060 -9.916 1.00 0.00 C ATOM 1211 O PHE B 79 8.462 8.075 -10.658 1.00 0.00 O ATOM 1212 CB PHE B 79 6.282 10.317 -9.854 1.00 0.00 C ATOM 1213 CG PHE B 79 5.442 11.560 -10.106 1.00 0.00 C ATOM 1214 CD1 PHE B 79 4.863 11.783 -11.371 1.00 0.00 C ATOM 1215 CD2 PHE B 79 5.193 12.470 -9.058 1.00 0.00 C ATOM 1216 CE1 PHE B 79 4.069 12.921 -11.598 1.00 0.00 C ATOM 1217 CE2 PHE B 79 4.373 13.593 -9.278 1.00 0.00 C ATOM 1218 CZ PHE B 79 3.822 13.825 -10.551 1.00 0.00 C ATOM 0 H PHE B 79 7.637 9.563 -12.272 1.00 0.00 H new ATOM 0 HA PHE B 79 8.257 11.214 -9.929 1.00 0.00 H new ATOM 0 HB2 PHE B 79 5.783 9.468 -10.322 1.00 0.00 H new ATOM 0 HB3 PHE B 79 6.295 10.127 -8.781 1.00 0.00 H new ATOM 0 HD1 PHE B 79 5.030 11.076 -12.170 1.00 0.00 H new ATOM 0 HD2 PHE B 79 5.632 12.305 -8.085 1.00 0.00 H new ATOM 0 HE1 PHE B 79 3.649 13.100 -12.577 1.00 0.00 H new ATOM 0 HE2 PHE B 79 4.167 14.277 -8.468 1.00 0.00 H new ATOM 0 HZ PHE B 79 3.209 14.697 -10.724 1.00 0.00 H new ATOM 1228 N SER B 80 9.005 9.018 -8.700 1.00 0.00 N ATOM 1229 CA SER B 80 9.694 7.837 -8.141 1.00 0.00 C ATOM 1230 C SER B 80 9.348 7.582 -6.664 1.00 0.00 C ATOM 1231 O SER B 80 9.188 8.526 -5.891 1.00 0.00 O ATOM 1232 CB SER B 80 11.215 7.980 -8.289 1.00 0.00 C ATOM 1233 OG SER B 80 11.629 7.689 -9.610 1.00 0.00 O ATOM 0 H SER B 80 8.985 9.812 -8.060 1.00 0.00 H new ATOM 0 HA SER B 80 9.341 6.979 -8.714 1.00 0.00 H new ATOM 0 HB2 SER B 80 11.515 8.994 -8.026 1.00 0.00 H new ATOM 0 HB3 SER B 80 11.716 7.308 -7.592 1.00 0.00 H new ATOM 0 HG SER B 80 12.602 7.789 -9.678 1.00 0.00 H new ATOM 1239 N VAL B 81 9.271 6.305 -6.268 1.00 0.00 N ATOM 1240 CA VAL B 81 8.784 5.817 -4.952 1.00 0.00 C ATOM 1241 C VAL B 81 9.696 4.717 -4.388 1.00 0.00 C ATOM 1242 O VAL B 81 10.515 4.168 -5.116 1.00 0.00 O ATOM 1243 CB VAL B 81 7.337 5.249 -5.049 1.00 0.00 C ATOM 1244 CG1 VAL B 81 6.297 6.367 -4.927 1.00 0.00 C ATOM 1245 CG2 VAL B 81 7.094 4.469 -6.354 1.00 0.00 C ATOM 0 H VAL B 81 9.558 5.540 -6.879 1.00 0.00 H new ATOM 0 HA VAL B 81 8.793 6.680 -4.286 1.00 0.00 H new ATOM 0 HB VAL B 81 7.228 4.555 -4.216 1.00 0.00 H new ATOM 0 HG11 VAL B 81 5.296 5.942 -4.998 1.00 0.00 H new ATOM 0 HG12 VAL B 81 6.411 6.867 -3.965 1.00 0.00 H new ATOM 0 HG13 VAL B 81 6.443 7.089 -5.731 1.00 0.00 H new ATOM 0 HG21 VAL B 81 6.070 4.095 -6.369 1.00 0.00 H new ATOM 0 HG22 VAL B 81 7.252 5.129 -7.207 1.00 0.00 H new ATOM 0 HG23 VAL B 81 7.787 3.630 -6.411 1.00 0.00 H new ATOM 1255 N ASP B 82 9.504 4.323 -3.124 1.00 0.00 N ATOM 1256 CA ASP B 82 10.098 3.122 -2.497 1.00 0.00 C ATOM 1257 C ASP B 82 9.449 1.804 -3.006 1.00 0.00 C ATOM 1258 O ASP B 82 9.138 0.897 -2.238 1.00 0.00 O ATOM 1259 CB ASP B 82 10.051 3.287 -0.961 1.00 0.00 C ATOM 1260 CG ASP B 82 10.829 2.221 -0.172 1.00 0.00 C ATOM 1261 OD1 ASP B 82 12.003 1.922 -0.504 1.00 0.00 O ATOM 1262 OD2 ASP B 82 10.292 1.709 0.840 1.00 0.00 O ATOM 0 H ASP B 82 8.910 4.846 -2.481 1.00 0.00 H new ATOM 0 HA ASP B 82 11.143 3.035 -2.795 1.00 0.00 H new ATOM 0 HB2 ASP B 82 10.446 4.270 -0.703 1.00 0.00 H new ATOM 0 HB3 ASP B 82 9.010 3.268 -0.640 1.00 0.00 H new ATOM 1267 N MET B 83 9.239 1.689 -4.327 1.00 0.00 N ATOM 1268 CA MET B 83 8.761 0.496 -5.059 1.00 0.00 C ATOM 1269 C MET B 83 9.895 -0.544 -5.203 1.00 0.00 C ATOM 1270 O MET B 83 10.266 -0.981 -6.295 1.00 0.00 O ATOM 1271 CB MET B 83 8.120 0.974 -6.377 1.00 0.00 C ATOM 1272 CG MET B 83 7.532 -0.090 -7.312 1.00 0.00 C ATOM 1273 SD MET B 83 6.436 0.563 -8.601 1.00 0.00 S ATOM 1274 CE MET B 83 7.558 1.704 -9.449 1.00 0.00 C ATOM 0 H MET B 83 9.408 2.474 -4.956 1.00 0.00 H new ATOM 0 HA MET B 83 7.986 -0.040 -4.511 1.00 0.00 H new ATOM 0 HB2 MET B 83 7.325 1.677 -6.128 1.00 0.00 H new ATOM 0 HB3 MET B 83 8.874 1.530 -6.934 1.00 0.00 H new ATOM 0 HG2 MET B 83 8.351 -0.629 -7.788 1.00 0.00 H new ATOM 0 HG3 MET B 83 6.978 -0.814 -6.715 1.00 0.00 H new ATOM 0 HE1 MET B 83 7.042 2.161 -10.293 1.00 0.00 H new ATOM 0 HE2 MET B 83 7.879 2.481 -8.756 1.00 0.00 H new ATOM 0 HE3 MET B 83 8.429 1.157 -9.809 1.00 0.00 H new ATOM 1284 N THR B 84 10.497 -0.872 -4.059 1.00 0.00 N ATOM 1285 CA THR B 84 11.778 -1.578 -3.894 1.00 0.00 C ATOM 1286 C THR B 84 11.643 -3.096 -4.029 1.00 0.00 C ATOM 1287 O THR B 84 12.652 -3.787 -4.165 1.00 0.00 O ATOM 1288 CB THR B 84 12.363 -1.147 -2.537 1.00 0.00 C ATOM 1289 OG1 THR B 84 12.452 0.262 -2.560 1.00 0.00 O ATOM 1290 CG2 THR B 84 13.779 -1.654 -2.278 1.00 0.00 C ATOM 0 H THR B 84 10.078 -0.638 -3.159 1.00 0.00 H new ATOM 0 HA THR B 84 12.461 -1.304 -4.698 1.00 0.00 H new ATOM 0 HB THR B 84 11.714 -1.557 -1.763 1.00 0.00 H new ATOM 0 HG1 THR B 84 12.394 0.608 -1.645 1.00 0.00 H new ATOM 0 HG21 THR B 84 14.117 -1.306 -1.302 1.00 0.00 H new ATOM 0 HG22 THR B 84 13.784 -2.744 -2.297 1.00 0.00 H new ATOM 0 HG23 THR B 84 14.448 -1.274 -3.050 1.00 0.00 H new ATOM 1298 N CYS B 85 10.419 -3.626 -4.017 1.00 0.00 N ATOM 1299 CA CYS B 85 10.120 -5.043 -4.127 1.00 0.00 C ATOM 1300 C CYS B 85 9.234 -5.394 -5.355 1.00 0.00 C ATOM 1301 O CYS B 85 9.677 -5.203 -6.497 1.00 0.00 O ATOM 1302 CB CYS B 85 9.594 -5.471 -2.752 1.00 0.00 C ATOM 1303 SG CYS B 85 8.024 -4.673 -2.311 1.00 0.00 S ATOM 0 H CYS B 85 9.580 -3.052 -3.927 1.00 0.00 H new ATOM 0 HA CYS B 85 11.007 -5.633 -4.356 1.00 0.00 H new ATOM 0 HB2 CYS B 85 9.461 -6.553 -2.741 1.00 0.00 H new ATOM 0 HB3 CYS B 85 10.341 -5.234 -1.994 1.00 0.00 H new ATOM 1308 N GLY B 86 8.043 -5.967 -5.124 1.00 0.00 N ATOM 1309 CA GLY B 86 7.175 -6.573 -6.148 1.00 0.00 C ATOM 1310 C GLY B 86 5.667 -6.344 -5.999 1.00 0.00 C ATOM 1311 O GLY B 86 4.994 -6.185 -7.021 1.00 0.00 O ATOM 0 H GLY B 86 7.643 -6.024 -4.187 1.00 0.00 H new ATOM 0 HA2 GLY B 86 7.482 -6.192 -7.122 1.00 0.00 H new ATOM 0 HA3 GLY B 86 7.356 -7.648 -6.154 1.00 0.00 H new ATOM 1315 N GLY B 87 5.113 -6.330 -4.777 1.00 0.00 N ATOM 1316 CA GLY B 87 3.671 -6.117 -4.544 1.00 0.00 C ATOM 1317 C GLY B 87 3.253 -4.668 -4.786 1.00 0.00 C ATOM 1318 O GLY B 87 2.239 -4.416 -5.436 1.00 0.00 O ATOM 0 H GLY B 87 5.650 -6.466 -3.920 1.00 0.00 H new ATOM 0 HA2 GLY B 87 3.098 -6.772 -5.200 1.00 0.00 H new ATOM 0 HA3 GLY B 87 3.425 -6.398 -3.520 1.00 0.00 H new ATOM 1322 N CYS B 88 4.087 -3.721 -4.345 1.00 0.00 N ATOM 1323 CA CYS B 88 4.000 -2.280 -4.625 1.00 0.00 C ATOM 1324 C CYS B 88 3.549 -1.952 -6.059 1.00 0.00 C ATOM 1325 O CYS B 88 2.610 -1.176 -6.257 1.00 0.00 O ATOM 1326 CB CYS B 88 5.369 -1.638 -4.306 1.00 0.00 C ATOM 1327 SG CYS B 88 6.774 -2.654 -4.878 1.00 0.00 S ATOM 0 H CYS B 88 4.884 -3.949 -3.751 1.00 0.00 H new ATOM 0 HA CYS B 88 3.222 -1.861 -3.987 1.00 0.00 H new ATOM 0 HB2 CYS B 88 5.423 -0.655 -4.774 1.00 0.00 H new ATOM 0 HB3 CYS B 88 5.452 -1.484 -3.230 1.00 0.00 H new ATOM 0 HG CYS B 88 7.209 -3.386 -3.895 1.00 0.00 H new ATOM 1333 N ALA B 89 4.173 -2.588 -7.050 1.00 0.00 N ATOM 1334 CA ALA B 89 3.905 -2.373 -8.471 1.00 0.00 C ATOM 1335 C ALA B 89 2.483 -2.788 -8.912 1.00 0.00 C ATOM 1336 O ALA B 89 1.948 -2.181 -9.836 1.00 0.00 O ATOM 1337 CB ALA B 89 4.997 -3.114 -9.253 1.00 0.00 C ATOM 0 H ALA B 89 4.898 -3.285 -6.882 1.00 0.00 H new ATOM 0 HA ALA B 89 3.935 -1.304 -8.681 1.00 0.00 H new ATOM 0 HB1 ALA B 89 4.834 -2.979 -10.322 1.00 0.00 H new ATOM 0 HB2 ALA B 89 5.974 -2.714 -8.982 1.00 0.00 H new ATOM 0 HB3 ALA B 89 4.960 -4.176 -9.012 1.00 0.00 H new ATOM 1343 N GLU B 90 1.878 -3.810 -8.293 1.00 0.00 N ATOM 1344 CA GLU B 90 0.452 -4.147 -8.459 1.00 0.00 C ATOM 1345 C GLU B 90 -0.520 -3.257 -7.665 1.00 0.00 C ATOM 1346 O GLU B 90 -1.695 -3.161 -8.027 1.00 0.00 O ATOM 1347 CB GLU B 90 0.192 -5.624 -8.125 1.00 0.00 C ATOM 1348 CG GLU B 90 0.886 -6.596 -9.086 1.00 0.00 C ATOM 1349 CD GLU B 90 0.446 -6.469 -10.550 1.00 0.00 C ATOM 1350 OE1 GLU B 90 -0.685 -6.004 -10.831 1.00 0.00 O ATOM 1351 OE2 GLU B 90 1.244 -6.875 -11.435 1.00 0.00 O ATOM 0 H GLU B 90 2.368 -4.436 -7.654 1.00 0.00 H new ATOM 0 HA GLU B 90 0.245 -3.955 -9.512 1.00 0.00 H new ATOM 0 HB2 GLU B 90 0.532 -5.824 -7.109 1.00 0.00 H new ATOM 0 HB3 GLU B 90 -0.882 -5.810 -8.145 1.00 0.00 H new ATOM 0 HG2 GLU B 90 1.963 -6.436 -9.029 1.00 0.00 H new ATOM 0 HG3 GLU B 90 0.697 -7.616 -8.750 1.00 0.00 H new ATOM 1358 N ALA B 91 -0.086 -2.676 -6.540 1.00 0.00 N ATOM 1359 CA ALA B 91 -0.872 -1.715 -5.761 1.00 0.00 C ATOM 1360 C ALA B 91 -0.946 -0.323 -6.410 1.00 0.00 C ATOM 1361 O ALA B 91 -2.023 0.276 -6.472 1.00 0.00 O ATOM 1362 CB ALA B 91 -0.296 -1.643 -4.342 1.00 0.00 C ATOM 0 H ALA B 91 0.834 -2.864 -6.141 1.00 0.00 H new ATOM 0 HA ALA B 91 -1.902 -2.069 -5.728 1.00 0.00 H new ATOM 0 HB1 ALA B 91 -0.872 -0.931 -3.751 1.00 0.00 H new ATOM 0 HB2 ALA B 91 -0.350 -2.627 -3.877 1.00 0.00 H new ATOM 0 HB3 ALA B 91 0.744 -1.319 -4.387 1.00 0.00 H new ATOM 1368 N VAL B 92 0.197 0.208 -6.857 1.00 0.00 N ATOM 1369 CA VAL B 92 0.328 1.614 -7.286 1.00 0.00 C ATOM 1370 C VAL B 92 -0.573 1.960 -8.483 1.00 0.00 C ATOM 1371 O VAL B 92 -1.115 3.058 -8.536 1.00 0.00 O ATOM 1372 CB VAL B 92 1.807 1.991 -7.545 1.00 0.00 C ATOM 1373 CG1 VAL B 92 2.398 1.313 -8.793 1.00 0.00 C ATOM 1374 CG2 VAL B 92 2.000 3.513 -7.631 1.00 0.00 C ATOM 0 H VAL B 92 1.064 -0.324 -6.934 1.00 0.00 H new ATOM 0 HA VAL B 92 -0.027 2.227 -6.457 1.00 0.00 H new ATOM 0 HB VAL B 92 2.356 1.614 -6.682 1.00 0.00 H new ATOM 0 HG11 VAL B 92 3.437 1.620 -8.916 1.00 0.00 H new ATOM 0 HG12 VAL B 92 2.351 0.230 -8.675 1.00 0.00 H new ATOM 0 HG13 VAL B 92 1.826 1.608 -9.673 1.00 0.00 H new ATOM 0 HG21 VAL B 92 3.051 3.737 -7.813 1.00 0.00 H new ATOM 0 HG22 VAL B 92 1.397 3.911 -8.448 1.00 0.00 H new ATOM 0 HG23 VAL B 92 1.689 3.973 -6.693 1.00 0.00 H new ATOM 1384 N SER B 93 -0.819 1.007 -9.386 1.00 0.00 N ATOM 1385 CA SER B 93 -1.808 1.117 -10.465 1.00 0.00 C ATOM 1386 C SER B 93 -3.223 1.326 -9.903 1.00 0.00 C ATOM 1387 O SER B 93 -3.843 2.364 -10.139 1.00 0.00 O ATOM 1388 CB SER B 93 -1.721 -0.149 -11.341 1.00 0.00 C ATOM 1389 OG SER B 93 -1.692 -1.321 -10.537 1.00 0.00 O ATOM 0 H SER B 93 -0.324 0.115 -9.388 1.00 0.00 H new ATOM 0 HA SER B 93 -1.589 1.991 -11.078 1.00 0.00 H new ATOM 0 HB2 SER B 93 -2.575 -0.188 -12.017 1.00 0.00 H new ATOM 0 HB3 SER B 93 -0.826 -0.106 -11.961 1.00 0.00 H new ATOM 0 HG SER B 93 -1.638 -2.112 -11.113 1.00 0.00 H new ATOM 1395 N ARG B 94 -3.700 0.396 -9.067 1.00 0.00 N ATOM 1396 CA ARG B 94 -5.006 0.475 -8.396 1.00 0.00 C ATOM 1397 C ARG B 94 -5.162 1.714 -7.500 1.00 0.00 C ATOM 1398 O ARG B 94 -6.266 2.244 -7.383 1.00 0.00 O ATOM 1399 CB ARG B 94 -5.243 -0.809 -7.584 1.00 0.00 C ATOM 1400 CG ARG B 94 -5.554 -2.012 -8.488 1.00 0.00 C ATOM 1401 CD ARG B 94 -5.666 -3.326 -7.704 1.00 0.00 C ATOM 1402 NE ARG B 94 -6.726 -3.298 -6.680 1.00 0.00 N ATOM 1403 CZ ARG B 94 -7.106 -4.313 -5.916 1.00 0.00 C ATOM 1404 NH1 ARG B 94 -6.587 -5.514 -5.995 1.00 0.00 N ATOM 1405 NH2 ARG B 94 -8.056 -4.126 -5.037 1.00 0.00 N ATOM 0 H ARG B 94 -3.180 -0.450 -8.833 1.00 0.00 H new ATOM 0 HA ARG B 94 -5.760 0.574 -9.177 1.00 0.00 H new ATOM 0 HB2 ARG B 94 -4.360 -1.026 -6.983 1.00 0.00 H new ATOM 0 HB3 ARG B 94 -6.070 -0.653 -6.891 1.00 0.00 H new ATOM 0 HG2 ARG B 94 -6.488 -1.830 -9.020 1.00 0.00 H new ATOM 0 HG3 ARG B 94 -4.772 -2.108 -9.241 1.00 0.00 H new ATOM 0 HD2 ARG B 94 -5.862 -4.142 -8.400 1.00 0.00 H new ATOM 0 HD3 ARG B 94 -4.711 -3.539 -7.224 1.00 0.00 H new ATOM 0 HE ARG B 94 -7.214 -2.412 -6.546 1.00 0.00 H new ATOM 0 HH11 ARG B 94 -5.849 -5.707 -6.672 1.00 0.00 H new ATOM 0 HH12 ARG B 94 -6.921 -6.255 -5.379 1.00 0.00 H new ATOM 0 HH21 ARG B 94 -8.494 -3.209 -4.946 1.00 0.00 H new ATOM 0 HH22 ARG B 94 -8.359 -4.897 -4.442 1.00 0.00 H new ATOM 1419 N VAL B 95 -4.093 2.200 -6.867 1.00 0.00 N ATOM 1420 CA VAL B 95 -4.124 3.447 -6.072 1.00 0.00 C ATOM 1421 C VAL B 95 -4.275 4.692 -6.968 1.00 0.00 C ATOM 1422 O VAL B 95 -5.054 5.587 -6.632 1.00 0.00 O ATOM 1423 CB VAL B 95 -2.890 3.552 -5.143 1.00 0.00 C ATOM 1424 CG1 VAL B 95 -2.723 4.935 -4.487 1.00 0.00 C ATOM 1425 CG2 VAL B 95 -3.009 2.504 -4.022 1.00 0.00 C ATOM 0 H VAL B 95 -3.179 1.748 -6.886 1.00 0.00 H new ATOM 0 HA VAL B 95 -5.008 3.407 -5.435 1.00 0.00 H new ATOM 0 HB VAL B 95 -2.018 3.382 -5.774 1.00 0.00 H new ATOM 0 HG11 VAL B 95 -1.838 4.932 -3.851 1.00 0.00 H new ATOM 0 HG12 VAL B 95 -2.611 5.694 -5.261 1.00 0.00 H new ATOM 0 HG13 VAL B 95 -3.602 5.160 -3.884 1.00 0.00 H new ATOM 0 HG21 VAL B 95 -2.142 2.574 -3.365 1.00 0.00 H new ATOM 0 HG22 VAL B 95 -3.916 2.688 -3.447 1.00 0.00 H new ATOM 0 HG23 VAL B 95 -3.053 1.507 -4.460 1.00 0.00 H new ATOM 1435 N LEU B 96 -3.572 4.747 -8.107 1.00 0.00 N ATOM 1436 CA LEU B 96 -3.606 5.867 -9.059 1.00 0.00 C ATOM 1437 C LEU B 96 -4.932 5.957 -9.821 1.00 0.00 C ATOM 1438 O LEU B 96 -5.478 7.046 -9.993 1.00 0.00 O ATOM 1439 CB LEU B 96 -2.419 5.680 -10.018 1.00 0.00 C ATOM 1440 CG LEU B 96 -2.156 6.831 -11.012 1.00 0.00 C ATOM 1441 CD1 LEU B 96 -2.092 8.211 -10.342 1.00 0.00 C ATOM 1442 CD2 LEU B 96 -0.826 6.570 -11.732 1.00 0.00 C ATOM 0 H LEU B 96 -2.948 3.995 -8.400 1.00 0.00 H new ATOM 0 HA LEU B 96 -3.526 6.810 -8.518 1.00 0.00 H new ATOM 0 HB2 LEU B 96 -1.518 5.529 -9.423 1.00 0.00 H new ATOM 0 HB3 LEU B 96 -2.581 4.765 -10.588 1.00 0.00 H new ATOM 0 HG LEU B 96 -2.995 6.850 -11.707 1.00 0.00 H new ATOM 0 HD11 LEU B 96 -1.905 8.974 -11.098 1.00 0.00 H new ATOM 0 HD12 LEU B 96 -3.039 8.418 -9.844 1.00 0.00 H new ATOM 0 HD13 LEU B 96 -1.286 8.222 -9.608 1.00 0.00 H new ATOM 0 HD21 LEU B 96 -0.630 7.377 -12.437 1.00 0.00 H new ATOM 0 HD22 LEU B 96 -0.019 6.523 -11.000 1.00 0.00 H new ATOM 0 HD23 LEU B 96 -0.883 5.624 -12.270 1.00 0.00 H new ATOM 1454 N ASN B 97 -5.477 4.804 -10.210 1.00 0.00 N ATOM 1455 CA ASN B 97 -6.767 4.654 -10.906 1.00 0.00 C ATOM 1456 C ASN B 97 -7.946 5.414 -10.257 1.00 0.00 C ATOM 1457 O ASN B 97 -8.929 5.719 -10.935 1.00 0.00 O ATOM 1458 CB ASN B 97 -7.117 3.155 -10.978 1.00 0.00 C ATOM 1459 CG ASN B 97 -6.383 2.381 -12.068 1.00 0.00 C ATOM 1460 OD1 ASN B 97 -5.727 2.939 -12.945 1.00 0.00 O ATOM 1461 ND2 ASN B 97 -6.506 1.066 -12.059 1.00 0.00 N ATOM 0 H ASN B 97 -5.017 3.909 -10.045 1.00 0.00 H new ATOM 0 HA ASN B 97 -6.633 5.097 -11.893 1.00 0.00 H new ATOM 0 HB2 ASN B 97 -6.895 2.697 -10.014 1.00 0.00 H new ATOM 0 HB3 ASN B 97 -8.190 3.054 -11.139 1.00 0.00 H new ATOM 0 HD21 ASN B 97 -6.055 0.507 -12.783 1.00 0.00 H new ATOM 0 HD22 ASN B 97 -7.052 0.610 -11.328 1.00 0.00 H new ATOM 1468 N LYS B 98 -7.876 5.730 -8.960 1.00 0.00 N ATOM 1469 CA LYS B 98 -8.901 6.485 -8.225 1.00 0.00 C ATOM 1470 C LYS B 98 -8.949 7.989 -8.572 1.00 0.00 C ATOM 1471 O LYS B 98 -9.931 8.650 -8.235 1.00 0.00 O ATOM 1472 CB LYS B 98 -8.716 6.241 -6.714 1.00 0.00 C ATOM 1473 CG LYS B 98 -8.828 4.762 -6.277 1.00 0.00 C ATOM 1474 CD LYS B 98 -10.185 4.122 -6.608 1.00 0.00 C ATOM 1475 CE LYS B 98 -10.256 2.658 -6.151 1.00 0.00 C ATOM 1476 NZ LYS B 98 -11.536 2.040 -6.568 1.00 0.00 N ATOM 0 H LYS B 98 -7.085 5.462 -8.375 1.00 0.00 H new ATOM 0 HA LYS B 98 -9.875 6.111 -8.541 1.00 0.00 H new ATOM 0 HB2 LYS B 98 -7.738 6.620 -6.416 1.00 0.00 H new ATOM 0 HB3 LYS B 98 -9.462 6.823 -6.172 1.00 0.00 H new ATOM 0 HG2 LYS B 98 -8.038 4.188 -6.761 1.00 0.00 H new ATOM 0 HG3 LYS B 98 -8.657 4.696 -5.202 1.00 0.00 H new ATOM 0 HD2 LYS B 98 -10.981 4.691 -6.128 1.00 0.00 H new ATOM 0 HD3 LYS B 98 -10.359 4.175 -7.683 1.00 0.00 H new ATOM 0 HE2 LYS B 98 -9.422 2.099 -6.575 1.00 0.00 H new ATOM 0 HE3 LYS B 98 -10.157 2.605 -5.067 1.00 0.00 H new ATOM 0 HZ1 LYS B 98 -11.564 1.050 -6.249 1.00 0.00 H new ATOM 0 HZ2 LYS B 98 -12.328 2.563 -6.144 1.00 0.00 H new ATOM 0 HZ3 LYS B 98 -11.616 2.072 -7.604 1.00 0.00 H new ATOM 1490 N LEU B 99 -7.932 8.553 -9.240 1.00 0.00 N ATOM 1491 CA LEU B 99 -8.019 9.887 -9.868 1.00 0.00 C ATOM 1492 C LEU B 99 -8.866 9.918 -11.155 1.00 0.00 C ATOM 1493 O LEU B 99 -9.317 11.000 -11.543 1.00 0.00 O ATOM 1494 CB LEU B 99 -6.605 10.446 -10.132 1.00 0.00 C ATOM 1495 CG LEU B 99 -5.804 10.843 -8.874 1.00 0.00 C ATOM 1496 CD1 LEU B 99 -4.454 11.434 -9.307 1.00 0.00 C ATOM 1497 CD2 LEU B 99 -6.552 11.869 -8.007 1.00 0.00 C ATOM 0 H LEU B 99 -7.026 8.101 -9.362 1.00 0.00 H new ATOM 0 HA LEU B 99 -8.541 10.526 -9.155 1.00 0.00 H new ATOM 0 HB2 LEU B 99 -6.035 9.699 -10.684 1.00 0.00 H new ATOM 0 HB3 LEU B 99 -6.693 11.320 -10.777 1.00 0.00 H new ATOM 0 HG LEU B 99 -5.661 9.946 -8.272 1.00 0.00 H new ATOM 0 HD11 LEU B 99 -3.881 11.718 -8.424 1.00 0.00 H new ATOM 0 HD12 LEU B 99 -3.897 10.690 -9.877 1.00 0.00 H new ATOM 0 HD13 LEU B 99 -4.624 12.314 -9.927 1.00 0.00 H new ATOM 0 HD21 LEU B 99 -5.948 12.117 -7.134 1.00 0.00 H new ATOM 0 HD22 LEU B 99 -6.736 12.772 -8.589 1.00 0.00 H new ATOM 0 HD23 LEU B 99 -7.503 11.447 -7.682 1.00 0.00 H new ATOM 1509 N GLY B 100 -9.080 8.766 -11.806 1.00 0.00 N ATOM 1510 CA GLY B 100 -9.835 8.644 -13.061 1.00 0.00 C ATOM 1511 C GLY B 100 -9.008 8.074 -14.212 1.00 0.00 C ATOM 1512 O GLY B 100 -8.281 7.093 -14.044 1.00 0.00 O ATOM 0 H GLY B 100 -8.725 7.872 -11.467 1.00 0.00 H new ATOM 0 HA2 GLY B 100 -10.702 8.005 -12.894 1.00 0.00 H new ATOM 0 HA3 GLY B 100 -10.213 9.626 -13.346 1.00 0.00 H new ATOM 1516 N GLY B 101 -9.131 8.654 -15.408 1.00 0.00 N ATOM 1517 CA GLY B 101 -8.633 8.093 -16.679 1.00 0.00 C ATOM 1518 C GLY B 101 -7.135 8.252 -16.940 1.00 0.00 C ATOM 1519 O GLY B 101 -6.739 8.428 -18.087 1.00 0.00 O ATOM 0 H GLY B 101 -9.593 9.555 -15.529 1.00 0.00 H new ATOM 0 HA2 GLY B 101 -8.875 7.031 -16.704 1.00 0.00 H new ATOM 0 HA3 GLY B 101 -9.176 8.563 -17.499 1.00 0.00 H new ATOM 1523 N VAL B 102 -6.311 8.194 -15.895 1.00 0.00 N ATOM 1524 CA VAL B 102 -4.870 8.507 -15.929 1.00 0.00 C ATOM 1525 C VAL B 102 -4.115 7.591 -16.906 1.00 0.00 C ATOM 1526 O VAL B 102 -4.323 6.377 -16.908 1.00 0.00 O ATOM 1527 CB VAL B 102 -4.203 8.400 -14.532 1.00 0.00 C ATOM 1528 CG1 VAL B 102 -2.885 9.190 -14.499 1.00 0.00 C ATOM 1529 CG2 VAL B 102 -5.097 8.819 -13.351 1.00 0.00 C ATOM 0 H VAL B 102 -6.632 7.919 -14.967 1.00 0.00 H new ATOM 0 HA VAL B 102 -4.804 9.541 -16.268 1.00 0.00 H new ATOM 0 HB VAL B 102 -4.012 7.336 -14.393 1.00 0.00 H new ATOM 0 HG11 VAL B 102 -2.433 9.102 -13.511 1.00 0.00 H new ATOM 0 HG12 VAL B 102 -2.202 8.789 -15.248 1.00 0.00 H new ATOM 0 HG13 VAL B 102 -3.084 10.240 -14.715 1.00 0.00 H new ATOM 0 HG21 VAL B 102 -4.543 8.710 -12.419 1.00 0.00 H new ATOM 0 HG22 VAL B 102 -5.398 9.859 -13.474 1.00 0.00 H new ATOM 0 HG23 VAL B 102 -5.983 8.185 -13.323 1.00 0.00 H new ATOM 1539 N LYS B 103 -3.209 8.164 -17.705 1.00 0.00 N ATOM 1540 CA LYS B 103 -2.254 7.423 -18.548 1.00 0.00 C ATOM 1541 C LYS B 103 -0.893 7.309 -17.837 1.00 0.00 C ATOM 1542 O LYS B 103 -0.331 8.330 -17.429 1.00 0.00 O ATOM 1543 CB LYS B 103 -2.090 8.123 -19.914 1.00 0.00 C ATOM 1544 CG LYS B 103 -3.056 7.635 -21.007 1.00 0.00 C ATOM 1545 CD LYS B 103 -4.541 7.933 -20.767 1.00 0.00 C ATOM 1546 CE LYS B 103 -4.814 9.441 -20.737 1.00 0.00 C ATOM 1547 NZ LYS B 103 -6.247 9.724 -20.509 1.00 0.00 N ATOM 0 H LYS B 103 -3.114 9.176 -17.788 1.00 0.00 H new ATOM 0 HA LYS B 103 -2.643 6.419 -18.717 1.00 0.00 H new ATOM 0 HB2 LYS B 103 -2.230 9.195 -19.777 1.00 0.00 H new ATOM 0 HB3 LYS B 103 -1.067 7.977 -20.261 1.00 0.00 H new ATOM 0 HG2 LYS B 103 -2.762 8.088 -21.954 1.00 0.00 H new ATOM 0 HG3 LYS B 103 -2.934 6.558 -21.118 1.00 0.00 H new ATOM 0 HD2 LYS B 103 -5.138 7.470 -21.553 1.00 0.00 H new ATOM 0 HD3 LYS B 103 -4.855 7.487 -19.823 1.00 0.00 H new ATOM 0 HE2 LYS B 103 -4.220 9.904 -19.949 1.00 0.00 H new ATOM 0 HE3 LYS B 103 -4.498 9.889 -21.679 1.00 0.00 H new ATOM 0 HZ1 LYS B 103 -6.378 10.742 -20.342 1.00 0.00 H new ATOM 0 HZ2 LYS B 103 -6.795 9.437 -21.345 1.00 0.00 H new ATOM 0 HZ3 LYS B 103 -6.578 9.192 -19.679 1.00 0.00 H new ATOM 1561 N TYR B 104 -0.354 6.094 -17.690 1.00 0.00 N ATOM 1562 CA TYR B 104 0.898 5.855 -16.950 1.00 0.00 C ATOM 1563 C TYR B 104 1.652 4.556 -17.306 1.00 0.00 C ATOM 1564 O TYR B 104 1.057 3.594 -17.802 1.00 0.00 O ATOM 1565 CB TYR B 104 0.634 5.955 -15.435 1.00 0.00 C ATOM 1566 CG TYR B 104 -0.358 4.948 -14.885 1.00 0.00 C ATOM 1567 CD1 TYR B 104 0.090 3.698 -14.413 1.00 0.00 C ATOM 1568 CD2 TYR B 104 -1.728 5.270 -14.819 1.00 0.00 C ATOM 1569 CE1 TYR B 104 -0.829 2.777 -13.878 1.00 0.00 C ATOM 1570 CE2 TYR B 104 -2.653 4.358 -14.275 1.00 0.00 C ATOM 1571 CZ TYR B 104 -2.201 3.106 -13.803 1.00 0.00 C ATOM 1572 OH TYR B 104 -3.082 2.202 -13.295 1.00 0.00 O ATOM 0 H TYR B 104 -0.770 5.247 -18.078 1.00 0.00 H new ATOM 0 HA TYR B 104 1.580 6.642 -17.271 1.00 0.00 H new ATOM 0 HB2 TYR B 104 1.581 5.833 -14.909 1.00 0.00 H new ATOM 0 HB3 TYR B 104 0.271 6.958 -15.211 1.00 0.00 H new ATOM 0 HD1 TYR B 104 1.139 3.447 -14.462 1.00 0.00 H new ATOM 0 HD2 TYR B 104 -2.072 6.225 -15.189 1.00 0.00 H new ATOM 0 HE1 TYR B 104 -0.485 1.816 -13.524 1.00 0.00 H new ATOM 0 HE2 TYR B 104 -3.701 4.614 -14.219 1.00 0.00 H new ATOM 0 HH TYR B 104 -3.970 2.611 -13.231 1.00 0.00 H new ATOM 1582 N ASP B 105 2.957 4.520 -16.999 1.00 0.00 N ATOM 1583 CA ASP B 105 3.873 3.403 -17.292 1.00 0.00 C ATOM 1584 C ASP B 105 4.959 3.202 -16.212 1.00 0.00 C ATOM 1585 O ASP B 105 5.591 4.159 -15.764 1.00 0.00 O ATOM 1586 CB ASP B 105 4.511 3.630 -18.671 1.00 0.00 C ATOM 1587 CG ASP B 105 5.367 2.449 -19.129 1.00 0.00 C ATOM 1588 OD1 ASP B 105 4.841 1.310 -19.171 1.00 0.00 O ATOM 1589 OD2 ASP B 105 6.542 2.659 -19.506 1.00 0.00 O ATOM 0 H ASP B 105 3.422 5.294 -16.523 1.00 0.00 H new ATOM 0 HA ASP B 105 3.285 2.485 -17.292 1.00 0.00 H new ATOM 0 HB2 ASP B 105 3.725 3.810 -19.405 1.00 0.00 H new ATOM 0 HB3 ASP B 105 5.127 4.528 -18.638 1.00 0.00 H new ATOM 1594 N ILE B 106 5.185 1.949 -15.798 1.00 0.00 N ATOM 1595 CA ILE B 106 5.940 1.576 -14.580 1.00 0.00 C ATOM 1596 C ILE B 106 7.323 0.969 -14.903 1.00 0.00 C ATOM 1597 O ILE B 106 7.446 0.144 -15.810 1.00 0.00 O ATOM 1598 CB ILE B 106 5.062 0.604 -13.742 1.00 0.00 C ATOM 1599 CG1 ILE B 106 3.743 1.292 -13.298 1.00 0.00 C ATOM 1600 CG2 ILE B 106 5.817 0.060 -12.514 1.00 0.00 C ATOM 1601 CD1 ILE B 106 2.740 0.370 -12.589 1.00 0.00 C ATOM 0 H ILE B 106 4.840 1.138 -16.312 1.00 0.00 H new ATOM 0 HA ILE B 106 6.150 2.476 -14.001 1.00 0.00 H new ATOM 0 HB ILE B 106 4.819 -0.242 -14.385 1.00 0.00 H new ATOM 0 HG12 ILE B 106 3.988 2.119 -12.632 1.00 0.00 H new ATOM 0 HG13 ILE B 106 3.261 1.722 -14.176 1.00 0.00 H new ATOM 0 HG21 ILE B 106 5.167 -0.615 -11.957 1.00 0.00 H new ATOM 0 HG22 ILE B 106 6.705 -0.480 -12.843 1.00 0.00 H new ATOM 0 HG23 ILE B 106 6.114 0.890 -11.873 1.00 0.00 H new ATOM 0 HD11 ILE B 106 1.851 0.940 -12.317 1.00 0.00 H new ATOM 0 HD12 ILE B 106 2.459 -0.444 -13.257 1.00 0.00 H new ATOM 0 HD13 ILE B 106 3.197 -0.041 -11.689 1.00 0.00 H new ATOM 1613 N ASP B 107 8.346 1.329 -14.117 1.00 0.00 N ATOM 1614 CA ASP B 107 9.718 0.794 -14.127 1.00 0.00 C ATOM 1615 C ASP B 107 10.110 0.323 -12.713 1.00 0.00 C ATOM 1616 O ASP B 107 10.070 1.100 -11.755 1.00 0.00 O ATOM 1617 CB ASP B 107 10.682 1.900 -14.591 1.00 0.00 C ATOM 1618 CG ASP B 107 12.149 1.464 -14.678 1.00 0.00 C ATOM 1619 OD1 ASP B 107 12.544 0.928 -15.743 1.00 0.00 O ATOM 1620 OD2 ASP B 107 12.922 1.723 -13.727 1.00 0.00 O ATOM 0 H ASP B 107 8.231 2.052 -13.407 1.00 0.00 H new ATOM 0 HA ASP B 107 9.774 -0.055 -14.808 1.00 0.00 H new ATOM 0 HB2 ASP B 107 10.363 2.256 -15.570 1.00 0.00 H new ATOM 0 HB3 ASP B 107 10.606 2.743 -13.904 1.00 0.00 H new ATOM 1625 N LEU B 108 10.494 -0.948 -12.576 1.00 0.00 N ATOM 1626 CA LEU B 108 10.830 -1.565 -11.286 1.00 0.00 C ATOM 1627 C LEU B 108 12.221 -1.171 -10.738 1.00 0.00 C ATOM 1628 O LEU B 108 12.286 -0.842 -9.548 1.00 0.00 O ATOM 1629 CB LEU B 108 10.677 -3.102 -11.392 1.00 0.00 C ATOM 1630 CG LEU B 108 9.265 -3.681 -11.140 1.00 0.00 C ATOM 1631 CD1 LEU B 108 8.890 -3.621 -9.652 1.00 0.00 C ATOM 1632 CD2 LEU B 108 8.164 -3.010 -11.971 1.00 0.00 C ATOM 0 H LEU B 108 10.582 -1.587 -13.366 1.00 0.00 H new ATOM 0 HA LEU B 108 10.123 -1.172 -10.555 1.00 0.00 H new ATOM 0 HB2 LEU B 108 10.997 -3.407 -12.388 1.00 0.00 H new ATOM 0 HB3 LEU B 108 11.364 -3.562 -10.682 1.00 0.00 H new ATOM 0 HG LEU B 108 9.325 -4.720 -11.463 1.00 0.00 H new ATOM 0 HD11 LEU B 108 7.892 -4.036 -9.511 1.00 0.00 H new ATOM 0 HD12 LEU B 108 9.609 -4.200 -9.072 1.00 0.00 H new ATOM 0 HD13 LEU B 108 8.903 -2.584 -9.315 1.00 0.00 H new ATOM 0 HD21 LEU B 108 7.203 -3.469 -11.740 1.00 0.00 H new ATOM 0 HD22 LEU B 108 8.125 -1.947 -11.733 1.00 0.00 H new ATOM 0 HD23 LEU B 108 8.381 -3.136 -13.032 1.00 0.00 H new ATOM 1644 N PRO B 109 13.329 -1.200 -11.511 1.00 0.00 N ATOM 1645 CA PRO B 109 14.665 -1.135 -10.927 1.00 0.00 C ATOM 1646 C PRO B 109 15.052 0.279 -10.475 1.00 0.00 C ATOM 1647 O PRO B 109 15.657 0.400 -9.414 1.00 0.00 O ATOM 1648 CB PRO B 109 15.603 -1.717 -11.987 1.00 0.00 C ATOM 1649 CG PRO B 109 14.912 -1.353 -13.295 1.00 0.00 C ATOM 1650 CD PRO B 109 13.440 -1.530 -12.927 1.00 0.00 C ATOM 0 HA PRO B 109 14.723 -1.710 -10.003 1.00 0.00 H new ATOM 0 HB2 PRO B 109 16.601 -1.284 -11.924 1.00 0.00 H new ATOM 0 HB3 PRO B 109 15.716 -2.796 -11.877 1.00 0.00 H new ATOM 0 HG2 PRO B 109 15.136 -0.333 -13.606 1.00 0.00 H new ATOM 0 HG3 PRO B 109 15.211 -2.009 -14.112 1.00 0.00 H new ATOM 0 HD2 PRO B 109 12.808 -0.877 -13.529 1.00 0.00 H new ATOM 0 HD3 PRO B 109 13.113 -2.553 -13.115 1.00 0.00 H new ATOM 1658 N ASN B 110 14.657 1.345 -11.188 1.00 0.00 N ATOM 1659 CA ASN B 110 14.808 2.722 -10.686 1.00 0.00 C ATOM 1660 C ASN B 110 13.576 3.199 -9.885 1.00 0.00 C ATOM 1661 O ASN B 110 13.604 4.278 -9.293 1.00 0.00 O ATOM 1662 CB ASN B 110 15.145 3.668 -11.847 1.00 0.00 C ATOM 1663 CG ASN B 110 15.792 4.967 -11.375 1.00 0.00 C ATOM 1664 OD1 ASN B 110 15.189 6.033 -11.404 1.00 0.00 O ATOM 1665 ND2 ASN B 110 17.031 4.911 -10.925 1.00 0.00 N ATOM 0 H ASN B 110 14.231 1.281 -12.113 1.00 0.00 H new ATOM 0 HA ASN B 110 15.638 2.734 -9.980 1.00 0.00 H new ATOM 0 HB2 ASN B 110 15.817 3.162 -12.540 1.00 0.00 H new ATOM 0 HB3 ASN B 110 14.234 3.899 -12.399 1.00 0.00 H new ATOM 0 HD21 ASN B 110 17.494 5.759 -10.598 1.00 0.00 H new ATOM 0 HD22 ASN B 110 17.526 4.020 -10.904 1.00 0.00 H new ATOM 1672 N LYS B 111 12.504 2.391 -9.837 1.00 0.00 N ATOM 1673 CA LYS B 111 11.322 2.548 -8.967 1.00 0.00 C ATOM 1674 C LYS B 111 10.417 3.717 -9.418 1.00 0.00 C ATOM 1675 O LYS B 111 9.871 4.477 -8.604 1.00 0.00 O ATOM 1676 CB LYS B 111 11.727 2.678 -7.484 1.00 0.00 C ATOM 1677 CG LYS B 111 12.772 1.681 -6.969 1.00 0.00 C ATOM 1678 CD LYS B 111 13.065 1.961 -5.490 1.00 0.00 C ATOM 1679 CE LYS B 111 14.356 1.260 -5.067 1.00 0.00 C ATOM 1680 NZ LYS B 111 14.716 1.597 -3.673 1.00 0.00 N ATOM 0 H LYS B 111 12.433 1.567 -10.434 1.00 0.00 H new ATOM 0 HA LYS B 111 10.730 1.638 -9.066 1.00 0.00 H new ATOM 0 HB2 LYS B 111 12.109 3.686 -7.322 1.00 0.00 H new ATOM 0 HB3 LYS B 111 10.829 2.575 -6.875 1.00 0.00 H new ATOM 0 HG2 LYS B 111 12.407 0.661 -7.091 1.00 0.00 H new ATOM 0 HG3 LYS B 111 13.688 1.764 -7.554 1.00 0.00 H new ATOM 0 HD2 LYS B 111 13.155 3.035 -5.326 1.00 0.00 H new ATOM 0 HD3 LYS B 111 12.235 1.613 -4.875 1.00 0.00 H new ATOM 0 HE2 LYS B 111 14.235 0.181 -5.163 1.00 0.00 H new ATOM 0 HE3 LYS B 111 15.167 1.551 -5.735 1.00 0.00 H new ATOM 0 HZ1 LYS B 111 15.646 1.190 -3.447 1.00 0.00 H new ATOM 0 HZ2 LYS B 111 14.754 2.631 -3.565 1.00 0.00 H new ATOM 0 HZ3 LYS B 111 14.001 1.207 -3.026 1.00 0.00 H new ATOM 1694 N LYS B 112 10.318 3.900 -10.736 1.00 0.00 N ATOM 1695 CA LYS B 112 9.871 5.115 -11.406 1.00 0.00 C ATOM 1696 C LYS B 112 8.550 4.902 -12.167 1.00 0.00 C ATOM 1697 O LYS B 112 8.319 3.841 -12.749 1.00 0.00 O ATOM 1698 CB LYS B 112 11.037 5.515 -12.320 1.00 0.00 C ATOM 1699 CG LYS B 112 10.793 6.793 -13.127 1.00 0.00 C ATOM 1700 CD LYS B 112 12.055 7.186 -13.897 1.00 0.00 C ATOM 1701 CE LYS B 112 13.107 7.789 -12.957 1.00 0.00 C ATOM 1702 NZ LYS B 112 14.397 8.007 -13.644 1.00 0.00 N ATOM 0 H LYS B 112 10.562 3.162 -11.397 1.00 0.00 H new ATOM 0 HA LYS B 112 9.638 5.912 -10.700 1.00 0.00 H new ATOM 0 HB2 LYS B 112 11.931 5.648 -11.712 1.00 0.00 H new ATOM 0 HB3 LYS B 112 11.240 4.696 -13.010 1.00 0.00 H new ATOM 0 HG2 LYS B 112 9.968 6.640 -13.822 1.00 0.00 H new ATOM 0 HG3 LYS B 112 10.500 7.603 -12.458 1.00 0.00 H new ATOM 0 HD2 LYS B 112 12.468 6.310 -14.397 1.00 0.00 H new ATOM 0 HD3 LYS B 112 11.801 7.906 -14.675 1.00 0.00 H new ATOM 0 HE2 LYS B 112 12.741 8.737 -12.562 1.00 0.00 H new ATOM 0 HE3 LYS B 112 13.256 7.125 -12.105 1.00 0.00 H new ATOM 0 HZ1 LYS B 112 15.137 7.443 -13.180 1.00 0.00 H new ATOM 0 HZ2 LYS B 112 14.314 7.717 -14.639 1.00 0.00 H new ATOM 0 HZ3 LYS B 112 14.649 9.015 -13.597 1.00 0.00 H new ATOM 1716 N VAL B 113 7.687 5.916 -12.192 1.00 0.00 N ATOM 1717 CA VAL B 113 6.405 5.910 -12.911 1.00 0.00 C ATOM 1718 C VAL B 113 6.327 7.157 -13.794 1.00 0.00 C ATOM 1719 O VAL B 113 6.465 8.278 -13.307 1.00 0.00 O ATOM 1720 CB VAL B 113 5.194 5.842 -11.947 1.00 0.00 C ATOM 1721 CG1 VAL B 113 3.871 5.724 -12.723 1.00 0.00 C ATOM 1722 CG2 VAL B 113 5.307 4.640 -10.988 1.00 0.00 C ATOM 0 H VAL B 113 7.861 6.792 -11.700 1.00 0.00 H new ATOM 0 HA VAL B 113 6.359 5.013 -13.529 1.00 0.00 H new ATOM 0 HB VAL B 113 5.200 6.768 -11.372 1.00 0.00 H new ATOM 0 HG11 VAL B 113 3.040 5.678 -12.020 1.00 0.00 H new ATOM 0 HG12 VAL B 113 3.751 6.592 -13.371 1.00 0.00 H new ATOM 0 HG13 VAL B 113 3.884 4.818 -13.329 1.00 0.00 H new ATOM 0 HG21 VAL B 113 4.442 4.621 -10.325 1.00 0.00 H new ATOM 0 HG22 VAL B 113 5.342 3.716 -11.565 1.00 0.00 H new ATOM 0 HG23 VAL B 113 6.217 4.732 -10.395 1.00 0.00 H new ATOM 1732 N CYS B 114 6.107 6.946 -15.091 1.00 0.00 N ATOM 1733 CA CYS B 114 5.814 7.984 -16.080 1.00 0.00 C ATOM 1734 C CYS B 114 4.303 8.250 -16.084 1.00 0.00 C ATOM 1735 O CYS B 114 3.533 7.290 -16.068 1.00 0.00 O ATOM 1736 CB CYS B 114 6.289 7.479 -17.451 1.00 0.00 C ATOM 1737 SG CYS B 114 8.086 7.213 -17.442 1.00 0.00 S ATOM 0 H CYS B 114 6.129 6.011 -15.498 1.00 0.00 H new ATOM 0 HA CYS B 114 6.327 8.916 -15.844 1.00 0.00 H new ATOM 0 HB2 CYS B 114 5.779 6.548 -17.699 1.00 0.00 H new ATOM 0 HB3 CYS B 114 6.026 8.202 -18.223 1.00 0.00 H new ATOM 0 HG CYS B 114 8.467 6.784 -18.609 1.00 0.00 H new ATOM 1743 N ILE B 115 3.862 9.512 -16.113 1.00 0.00 N ATOM 1744 CA ILE B 115 2.431 9.888 -16.083 1.00 0.00 C ATOM 1745 C ILE B 115 2.139 10.959 -17.140 1.00 0.00 C ATOM 1746 O ILE B 115 2.905 11.911 -17.290 1.00 0.00 O ATOM 1747 CB ILE B 115 1.997 10.362 -14.665 1.00 0.00 C ATOM 1748 CG1 ILE B 115 2.294 9.269 -13.606 1.00 0.00 C ATOM 1749 CG2 ILE B 115 0.501 10.756 -14.656 1.00 0.00 C ATOM 1750 CD1 ILE B 115 1.845 9.587 -12.175 1.00 0.00 C ATOM 0 H ILE B 115 4.489 10.315 -16.158 1.00 0.00 H new ATOM 0 HA ILE B 115 1.842 9.002 -16.321 1.00 0.00 H new ATOM 0 HB ILE B 115 2.579 11.246 -14.405 1.00 0.00 H new ATOM 0 HG12 ILE B 115 1.811 8.344 -13.921 1.00 0.00 H new ATOM 0 HG13 ILE B 115 3.368 9.081 -13.597 1.00 0.00 H new ATOM 0 HG21 ILE B 115 0.217 11.084 -13.656 1.00 0.00 H new ATOM 0 HG22 ILE B 115 0.334 11.567 -15.365 1.00 0.00 H new ATOM 0 HG23 ILE B 115 -0.104 9.895 -14.940 1.00 0.00 H new ATOM 0 HD11 ILE B 115 2.102 8.755 -11.520 1.00 0.00 H new ATOM 0 HD12 ILE B 115 2.347 10.491 -11.829 1.00 0.00 H new ATOM 0 HD13 ILE B 115 0.766 9.742 -12.158 1.00 0.00 H new ATOM 1762 N GLU B 116 1.011 10.826 -17.840 1.00 0.00 N ATOM 1763 CA GLU B 116 0.474 11.822 -18.768 1.00 0.00 C ATOM 1764 C GLU B 116 -0.913 12.269 -18.274 1.00 0.00 C ATOM 1765 O GLU B 116 -1.897 11.542 -18.423 1.00 0.00 O ATOM 1766 CB GLU B 116 0.390 11.226 -20.187 1.00 0.00 C ATOM 1767 CG GLU B 116 1.750 10.845 -20.789 1.00 0.00 C ATOM 1768 CD GLU B 116 1.583 10.098 -22.117 1.00 0.00 C ATOM 1769 OE1 GLU B 116 1.105 10.696 -23.109 1.00 0.00 O ATOM 1770 OE2 GLU B 116 1.927 8.896 -22.196 1.00 0.00 O ATOM 0 H GLU B 116 0.426 9.993 -17.774 1.00 0.00 H new ATOM 0 HA GLU B 116 1.132 12.690 -18.807 1.00 0.00 H new ATOM 0 HB2 GLU B 116 -0.244 10.340 -20.160 1.00 0.00 H new ATOM 0 HB3 GLU B 116 -0.097 11.947 -20.844 1.00 0.00 H new ATOM 0 HG2 GLU B 116 2.344 11.745 -20.948 1.00 0.00 H new ATOM 0 HG3 GLU B 116 2.299 10.220 -20.085 1.00 0.00 H new ATOM 1777 N SER B 117 -1.018 13.443 -17.638 1.00 0.00 N ATOM 1778 CA SER B 117 -2.301 13.970 -17.155 1.00 0.00 C ATOM 1779 C SER B 117 -2.319 15.490 -16.900 1.00 0.00 C ATOM 1780 O SER B 117 -1.288 16.090 -16.588 1.00 0.00 O ATOM 1781 CB SER B 117 -2.726 13.210 -15.898 1.00 0.00 C ATOM 1782 OG SER B 117 -4.013 13.616 -15.472 1.00 0.00 O ATOM 0 H SER B 117 -0.222 14.051 -17.445 1.00 0.00 H new ATOM 0 HA SER B 117 -3.016 13.810 -17.962 1.00 0.00 H new ATOM 0 HB2 SER B 117 -2.726 12.139 -16.099 1.00 0.00 H new ATOM 0 HB3 SER B 117 -2.003 13.385 -15.101 1.00 0.00 H new ATOM 0 HG SER B 117 -4.573 12.826 -15.323 1.00 0.00 H new ATOM 1788 N GLU B 118 -3.510 16.100 -16.967 1.00 0.00 N ATOM 1789 CA GLU B 118 -3.779 17.502 -16.595 1.00 0.00 C ATOM 1790 C GLU B 118 -3.980 17.740 -15.085 1.00 0.00 C ATOM 1791 O GLU B 118 -3.907 18.883 -14.619 1.00 0.00 O ATOM 1792 CB GLU B 118 -5.041 17.998 -17.327 1.00 0.00 C ATOM 1793 CG GLU B 118 -4.900 18.108 -18.851 1.00 0.00 C ATOM 1794 CD GLU B 118 -6.239 18.469 -19.499 1.00 0.00 C ATOM 1795 OE1 GLU B 118 -6.725 19.611 -19.320 1.00 0.00 O ATOM 1796 OE2 GLU B 118 -6.844 17.598 -20.171 1.00 0.00 O ATOM 0 H GLU B 118 -4.346 15.615 -17.294 1.00 0.00 H new ATOM 0 HA GLU B 118 -2.886 18.054 -16.889 1.00 0.00 H new ATOM 0 HB2 GLU B 118 -5.865 17.321 -17.100 1.00 0.00 H new ATOM 0 HB3 GLU B 118 -5.313 18.976 -16.930 1.00 0.00 H new ATOM 0 HG2 GLU B 118 -4.156 18.866 -19.098 1.00 0.00 H new ATOM 0 HG3 GLU B 118 -4.539 17.163 -19.256 1.00 0.00 H new ATOM 1803 N HIS B 119 -4.232 16.686 -14.310 1.00 0.00 N ATOM 1804 CA HIS B 119 -4.483 16.822 -12.861 1.00 0.00 C ATOM 1805 C HIS B 119 -3.187 17.153 -12.095 1.00 0.00 C ATOM 1806 O HIS B 119 -2.097 16.775 -12.529 1.00 0.00 O ATOM 1807 CB HIS B 119 -5.222 15.601 -12.284 1.00 0.00 C ATOM 1808 CG HIS B 119 -4.548 14.266 -12.463 1.00 0.00 C ATOM 1809 ND1 HIS B 119 -3.194 14.013 -12.459 1.00 0.00 N ATOM 1810 CD2 HIS B 119 -5.182 13.084 -12.733 1.00 0.00 C ATOM 1811 CE1 HIS B 119 -3.022 12.714 -12.754 1.00 0.00 C ATOM 1812 NE2 HIS B 119 -4.206 12.118 -12.975 1.00 0.00 N ATOM 0 H HIS B 119 -4.270 15.726 -14.653 1.00 0.00 H new ATOM 0 HA HIS B 119 -5.154 17.670 -12.723 1.00 0.00 H new ATOM 0 HB2 HIS B 119 -5.375 15.766 -11.218 1.00 0.00 H new ATOM 0 HB3 HIS B 119 -6.209 15.550 -12.744 1.00 0.00 H new ATOM 0 HD1 HIS B 119 -2.455 14.690 -12.267 1.00 0.00 H new ATOM 0 HD2 HIS B 119 -6.250 12.927 -12.755 1.00 0.00 H new ATOM 0 HE1 HIS B 119 -2.065 12.217 -12.806 1.00 0.00 H new ATOM 1820 N SER B 120 -3.282 17.865 -10.971 1.00 0.00 N ATOM 1821 CA SER B 120 -2.122 18.550 -10.380 1.00 0.00 C ATOM 1822 C SER B 120 -1.014 17.617 -9.860 1.00 0.00 C ATOM 1823 O SER B 120 -1.278 16.551 -9.298 1.00 0.00 O ATOM 1824 CB SER B 120 -2.577 19.513 -9.273 1.00 0.00 C ATOM 1825 OG SER B 120 -1.469 20.168 -8.677 1.00 0.00 O ATOM 0 H SER B 120 -4.150 17.985 -10.448 1.00 0.00 H new ATOM 0 HA SER B 120 -1.667 19.106 -11.200 1.00 0.00 H new ATOM 0 HB2 SER B 120 -3.260 20.254 -9.689 1.00 0.00 H new ATOM 0 HB3 SER B 120 -3.130 18.962 -8.512 1.00 0.00 H new ATOM 0 HG SER B 120 -1.786 20.776 -7.977 1.00 0.00 H new ATOM 1831 N MET B 121 0.237 18.081 -9.957 1.00 0.00 N ATOM 1832 CA MET B 121 1.401 17.493 -9.282 1.00 0.00 C ATOM 1833 C MET B 121 1.160 17.308 -7.774 1.00 0.00 C ATOM 1834 O MET B 121 1.489 16.261 -7.222 1.00 0.00 O ATOM 1835 CB MET B 121 2.613 18.411 -9.511 1.00 0.00 C ATOM 1836 CG MET B 121 3.093 18.406 -10.970 1.00 0.00 C ATOM 1837 SD MET B 121 4.072 19.846 -11.487 1.00 0.00 S ATOM 1838 CE MET B 121 5.251 19.963 -10.117 1.00 0.00 C ATOM 0 H MET B 121 0.475 18.897 -10.521 1.00 0.00 H new ATOM 0 HA MET B 121 1.583 16.503 -9.701 1.00 0.00 H new ATOM 0 HB2 MET B 121 2.352 19.429 -9.222 1.00 0.00 H new ATOM 0 HB3 MET B 121 3.430 18.095 -8.863 1.00 0.00 H new ATOM 0 HG2 MET B 121 3.689 17.508 -11.133 1.00 0.00 H new ATOM 0 HG3 MET B 121 2.221 18.332 -11.619 1.00 0.00 H new ATOM 0 HE1 MET B 121 6.150 20.480 -10.453 1.00 0.00 H new ATOM 0 HE2 MET B 121 4.799 20.518 -9.295 1.00 0.00 H new ATOM 0 HE3 MET B 121 5.515 18.961 -9.777 1.00 0.00 H new ATOM 1848 N ASP B 122 0.539 18.287 -7.106 1.00 0.00 N ATOM 1849 CA ASP B 122 0.219 18.214 -5.673 1.00 0.00 C ATOM 1850 C ASP B 122 -0.913 17.212 -5.368 1.00 0.00 C ATOM 1851 O ASP B 122 -0.920 16.621 -4.284 1.00 0.00 O ATOM 1852 CB ASP B 122 -0.110 19.628 -5.162 1.00 0.00 C ATOM 1853 CG ASP B 122 -0.240 19.693 -3.635 1.00 0.00 C ATOM 1854 OD1 ASP B 122 0.788 19.494 -2.937 1.00 0.00 O ATOM 1855 OD2 ASP B 122 -1.363 19.945 -3.131 1.00 0.00 O ATOM 0 H ASP B 122 0.242 19.158 -7.546 1.00 0.00 H new ATOM 0 HA ASP B 122 1.091 17.833 -5.141 1.00 0.00 H new ATOM 0 HB2 ASP B 122 0.670 20.317 -5.485 1.00 0.00 H new ATOM 0 HB3 ASP B 122 -1.042 19.966 -5.616 1.00 0.00 H new ATOM 1860 N THR B 123 -1.827 16.980 -6.327 1.00 0.00 N ATOM 1861 CA THR B 123 -2.876 15.948 -6.257 1.00 0.00 C ATOM 1862 C THR B 123 -2.245 14.569 -6.394 1.00 0.00 C ATOM 1863 O THR B 123 -2.568 13.662 -5.628 1.00 0.00 O ATOM 1864 CB THR B 123 -3.922 16.177 -7.360 1.00 0.00 C ATOM 1865 OG1 THR B 123 -4.590 17.397 -7.128 1.00 0.00 O ATOM 1866 CG2 THR B 123 -4.981 15.080 -7.418 1.00 0.00 C ATOM 0 H THR B 123 -1.857 17.518 -7.193 1.00 0.00 H new ATOM 0 HA THR B 123 -3.379 16.011 -5.292 1.00 0.00 H new ATOM 0 HB THR B 123 -3.377 16.180 -8.304 1.00 0.00 H new ATOM 0 HG1 THR B 123 -5.256 17.544 -7.832 1.00 0.00 H new ATOM 0 HG21 THR B 123 -5.689 15.300 -8.217 1.00 0.00 H new ATOM 0 HG22 THR B 123 -4.501 14.121 -7.613 1.00 0.00 H new ATOM 0 HG23 THR B 123 -5.510 15.034 -6.466 1.00 0.00 H new ATOM 1874 N LEU B 124 -1.321 14.409 -7.344 1.00 0.00 N ATOM 1875 CA LEU B 124 -0.564 13.174 -7.548 1.00 0.00 C ATOM 1876 C LEU B 124 0.270 12.803 -6.328 1.00 0.00 C ATOM 1877 O LEU B 124 0.127 11.683 -5.842 1.00 0.00 O ATOM 1878 CB LEU B 124 0.312 13.309 -8.804 1.00 0.00 C ATOM 1879 CG LEU B 124 -0.486 13.037 -10.088 1.00 0.00 C ATOM 1880 CD1 LEU B 124 0.334 13.481 -11.300 1.00 0.00 C ATOM 1881 CD2 LEU B 124 -0.802 11.535 -10.211 1.00 0.00 C ATOM 0 H LEU B 124 -1.074 15.147 -8.004 1.00 0.00 H new ATOM 0 HA LEU B 124 -1.273 12.359 -7.694 1.00 0.00 H new ATOM 0 HB2 LEU B 124 0.736 14.312 -8.845 1.00 0.00 H new ATOM 0 HB3 LEU B 124 1.148 12.612 -8.741 1.00 0.00 H new ATOM 0 HG LEU B 124 -1.421 13.596 -10.048 1.00 0.00 H new ATOM 0 HD11 LEU B 124 -0.231 13.289 -12.212 1.00 0.00 H new ATOM 0 HD12 LEU B 124 0.548 14.547 -11.224 1.00 0.00 H new ATOM 0 HD13 LEU B 124 1.271 12.924 -11.329 1.00 0.00 H new ATOM 0 HD21 LEU B 124 -1.368 11.356 -11.125 1.00 0.00 H new ATOM 0 HD22 LEU B 124 0.129 10.969 -10.244 1.00 0.00 H new ATOM 0 HD23 LEU B 124 -1.391 11.216 -9.351 1.00 0.00 H new ATOM 1893 N LEU B 125 1.070 13.727 -5.791 1.00 0.00 N ATOM 1894 CA LEU B 125 1.848 13.496 -4.569 1.00 0.00 C ATOM 1895 C LEU B 125 0.940 13.083 -3.400 1.00 0.00 C ATOM 1896 O LEU B 125 1.192 12.059 -2.769 1.00 0.00 O ATOM 1897 CB LEU B 125 2.686 14.751 -4.256 1.00 0.00 C ATOM 1898 CG LEU B 125 3.845 15.015 -5.246 1.00 0.00 C ATOM 1899 CD1 LEU B 125 4.433 16.410 -5.001 1.00 0.00 C ATOM 1900 CD2 LEU B 125 4.962 13.967 -5.138 1.00 0.00 C ATOM 0 H LEU B 125 1.198 14.657 -6.190 1.00 0.00 H new ATOM 0 HA LEU B 125 2.533 12.662 -4.724 1.00 0.00 H new ATOM 0 HB2 LEU B 125 2.027 15.619 -4.249 1.00 0.00 H new ATOM 0 HB3 LEU B 125 3.098 14.655 -3.252 1.00 0.00 H new ATOM 0 HG LEU B 125 3.427 14.950 -6.251 1.00 0.00 H new ATOM 0 HD11 LEU B 125 5.249 16.589 -5.702 1.00 0.00 H new ATOM 0 HD12 LEU B 125 3.658 17.162 -5.146 1.00 0.00 H new ATOM 0 HD13 LEU B 125 4.811 16.471 -3.981 1.00 0.00 H new ATOM 0 HD21 LEU B 125 5.750 14.200 -5.854 1.00 0.00 H new ATOM 0 HD22 LEU B 125 5.374 13.977 -4.129 1.00 0.00 H new ATOM 0 HD23 LEU B 125 4.556 12.979 -5.354 1.00 0.00 H new ATOM 1912 N ALA B 126 -0.176 13.785 -3.174 1.00 0.00 N ATOM 1913 CA ALA B 126 -1.130 13.445 -2.111 1.00 0.00 C ATOM 1914 C ALA B 126 -1.897 12.128 -2.345 1.00 0.00 C ATOM 1915 O ALA B 126 -2.386 11.542 -1.374 1.00 0.00 O ATOM 1916 CB ALA B 126 -2.108 14.616 -1.946 1.00 0.00 C ATOM 0 H ALA B 126 -0.443 14.603 -3.721 1.00 0.00 H new ATOM 0 HA ALA B 126 -0.555 13.278 -1.200 1.00 0.00 H new ATOM 0 HB1 ALA B 126 -2.826 14.382 -1.160 1.00 0.00 H new ATOM 0 HB2 ALA B 126 -1.556 15.516 -1.677 1.00 0.00 H new ATOM 0 HB3 ALA B 126 -2.638 14.782 -2.884 1.00 0.00 H new ATOM 1922 N THR B 127 -2.038 11.669 -3.596 1.00 0.00 N ATOM 1923 CA THR B 127 -2.569 10.337 -3.947 1.00 0.00 C ATOM 1924 C THR B 127 -1.541 9.252 -3.646 1.00 0.00 C ATOM 1925 O THR B 127 -1.850 8.280 -2.964 1.00 0.00 O ATOM 1926 CB THR B 127 -3.003 10.282 -5.418 1.00 0.00 C ATOM 1927 OG1 THR B 127 -3.905 11.333 -5.652 1.00 0.00 O ATOM 1928 CG2 THR B 127 -3.724 8.975 -5.766 1.00 0.00 C ATOM 0 H THR B 127 -1.781 12.223 -4.413 1.00 0.00 H new ATOM 0 HA THR B 127 -3.451 10.155 -3.333 1.00 0.00 H new ATOM 0 HB THR B 127 -2.104 10.356 -6.030 1.00 0.00 H new ATOM 0 HG1 THR B 127 -3.411 12.175 -5.738 1.00 0.00 H new ATOM 0 HG21 THR B 127 -4.010 8.986 -6.818 1.00 0.00 H new ATOM 0 HG22 THR B 127 -3.059 8.132 -5.580 1.00 0.00 H new ATOM 0 HG23 THR B 127 -4.617 8.876 -5.148 1.00 0.00 H new ATOM 1936 N LEU B 128 -0.325 9.414 -4.169 1.00 0.00 N ATOM 1937 CA LEU B 128 0.738 8.410 -4.137 1.00 0.00 C ATOM 1938 C LEU B 128 1.317 8.211 -2.732 1.00 0.00 C ATOM 1939 O LEU B 128 1.565 7.068 -2.355 1.00 0.00 O ATOM 1940 CB LEU B 128 1.823 8.802 -5.159 1.00 0.00 C ATOM 1941 CG LEU B 128 1.373 8.714 -6.638 1.00 0.00 C ATOM 1942 CD1 LEU B 128 2.432 9.357 -7.546 1.00 0.00 C ATOM 1943 CD2 LEU B 128 1.129 7.263 -7.085 1.00 0.00 C ATOM 0 H LEU B 128 -0.045 10.274 -4.641 1.00 0.00 H new ATOM 0 HA LEU B 128 0.315 7.444 -4.413 1.00 0.00 H new ATOM 0 HB2 LEU B 128 2.149 9.821 -4.951 1.00 0.00 H new ATOM 0 HB3 LEU B 128 2.689 8.156 -5.017 1.00 0.00 H new ATOM 0 HG LEU B 128 0.429 9.252 -6.722 1.00 0.00 H new ATOM 0 HD11 LEU B 128 2.109 9.291 -8.585 1.00 0.00 H new ATOM 0 HD12 LEU B 128 2.560 10.404 -7.271 1.00 0.00 H new ATOM 0 HD13 LEU B 128 3.380 8.832 -7.427 1.00 0.00 H new ATOM 0 HD21 LEU B 128 0.815 7.252 -8.129 1.00 0.00 H new ATOM 0 HD22 LEU B 128 2.049 6.689 -6.977 1.00 0.00 H new ATOM 0 HD23 LEU B 128 0.349 6.818 -6.467 1.00 0.00 H new ATOM 1955 N LYS B 129 1.465 9.260 -1.917 1.00 0.00 N ATOM 1956 CA LYS B 129 1.965 9.160 -0.535 1.00 0.00 C ATOM 1957 C LYS B 129 1.164 8.159 0.333 1.00 0.00 C ATOM 1958 O LYS B 129 1.726 7.480 1.197 1.00 0.00 O ATOM 1959 CB LYS B 129 1.954 10.579 0.064 1.00 0.00 C ATOM 1960 CG LYS B 129 2.771 10.658 1.356 1.00 0.00 C ATOM 1961 CD LYS B 129 2.702 12.049 1.991 1.00 0.00 C ATOM 1962 CE LYS B 129 3.714 12.118 3.138 1.00 0.00 C ATOM 1963 NZ LYS B 129 3.528 13.334 3.959 1.00 0.00 N ATOM 0 H LYS B 129 1.240 10.214 -2.198 1.00 0.00 H new ATOM 0 HA LYS B 129 2.978 8.758 -0.548 1.00 0.00 H new ATOM 0 HB2 LYS B 129 2.356 11.284 -0.664 1.00 0.00 H new ATOM 0 HB3 LYS B 129 0.926 10.880 0.265 1.00 0.00 H new ATOM 0 HG2 LYS B 129 2.402 9.917 2.065 1.00 0.00 H new ATOM 0 HG3 LYS B 129 3.810 10.407 1.144 1.00 0.00 H new ATOM 0 HD2 LYS B 129 2.922 12.815 1.247 1.00 0.00 H new ATOM 0 HD3 LYS B 129 1.696 12.245 2.363 1.00 0.00 H new ATOM 0 HE2 LYS B 129 3.611 11.234 3.768 1.00 0.00 H new ATOM 0 HE3 LYS B 129 4.726 12.104 2.732 1.00 0.00 H new ATOM 0 HZ1 LYS B 129 4.231 13.346 4.726 1.00 0.00 H new ATOM 0 HZ2 LYS B 129 3.651 14.177 3.363 1.00 0.00 H new ATOM 0 HZ3 LYS B 129 2.571 13.335 4.367 1.00 0.00 H new ATOM 1977 N LYS B 130 -0.132 7.987 0.032 1.00 0.00 N ATOM 1978 CA LYS B 130 -1.061 7.063 0.701 1.00 0.00 C ATOM 1979 C LYS B 130 -0.663 5.574 0.577 1.00 0.00 C ATOM 1980 O LYS B 130 -1.059 4.758 1.410 1.00 0.00 O ATOM 1981 CB LYS B 130 -2.461 7.338 0.122 1.00 0.00 C ATOM 1982 CG LYS B 130 -3.606 6.748 0.960 1.00 0.00 C ATOM 1983 CD LYS B 130 -4.987 7.199 0.456 1.00 0.00 C ATOM 1984 CE LYS B 130 -5.289 6.835 -1.006 1.00 0.00 C ATOM 1985 NZ LYS B 130 -5.575 5.391 -1.177 1.00 0.00 N ATOM 0 H LYS B 130 -0.582 8.512 -0.718 1.00 0.00 H new ATOM 0 HA LYS B 130 -1.037 7.247 1.775 1.00 0.00 H new ATOM 0 HB2 LYS B 130 -2.603 8.415 0.037 1.00 0.00 H new ATOM 0 HB3 LYS B 130 -2.513 6.929 -0.887 1.00 0.00 H new ATOM 0 HG2 LYS B 130 -3.549 5.660 0.934 1.00 0.00 H new ATOM 0 HG3 LYS B 130 -3.485 7.049 2.001 1.00 0.00 H new ATOM 0 HD2 LYS B 130 -5.753 6.755 1.092 1.00 0.00 H new ATOM 0 HD3 LYS B 130 -5.065 8.280 0.570 1.00 0.00 H new ATOM 0 HE2 LYS B 130 -6.143 7.416 -1.354 1.00 0.00 H new ATOM 0 HE3 LYS B 130 -4.439 7.112 -1.630 1.00 0.00 H new ATOM 0 HZ1 LYS B 130 -5.639 5.167 -2.191 1.00 0.00 H new ATOM 0 HZ2 LYS B 130 -4.811 4.832 -0.747 1.00 0.00 H new ATOM 0 HZ3 LYS B 130 -6.477 5.158 -0.714 1.00 0.00 H new ATOM 1999 N THR B 131 0.184 5.220 -0.407 1.00 0.00 N ATOM 2000 CA THR B 131 0.808 3.884 -0.558 1.00 0.00 C ATOM 2001 C THR B 131 1.727 3.488 0.603 1.00 0.00 C ATOM 2002 O THR B 131 2.201 2.354 0.634 1.00 0.00 O ATOM 2003 CB THR B 131 1.619 3.782 -1.859 1.00 0.00 C ATOM 2004 OG1 THR B 131 2.643 4.746 -1.855 1.00 0.00 O ATOM 2005 CG2 THR B 131 0.787 3.952 -3.127 1.00 0.00 C ATOM 0 H THR B 131 0.464 5.870 -1.141 1.00 0.00 H new ATOM 0 HA THR B 131 -0.036 3.195 -0.573 1.00 0.00 H new ATOM 0 HB THR B 131 2.023 2.770 -1.881 1.00 0.00 H new ATOM 0 HG1 THR B 131 2.249 5.642 -1.802 1.00 0.00 H new ATOM 0 HG21 THR B 131 1.433 3.867 -4.000 1.00 0.00 H new ATOM 0 HG22 THR B 131 0.021 3.178 -3.166 1.00 0.00 H new ATOM 0 HG23 THR B 131 0.312 4.933 -3.122 1.00 0.00 H new ATOM 2013 N GLY B 132 2.018 4.419 1.520 1.00 0.00 N ATOM 2014 CA GLY B 132 2.976 4.255 2.615 1.00 0.00 C ATOM 2015 C GLY B 132 4.420 4.471 2.166 1.00 0.00 C ATOM 2016 O GLY B 132 5.339 4.155 2.920 1.00 0.00 O ATOM 0 H GLY B 132 1.576 5.338 1.518 1.00 0.00 H new ATOM 0 HA2 GLY B 132 2.737 4.960 3.411 1.00 0.00 H new ATOM 0 HA3 GLY B 132 2.875 3.254 3.035 1.00 0.00 H new ATOM 2020 N LYS B 133 4.644 5.006 0.959 1.00 0.00 N ATOM 2021 CA LYS B 133 5.967 5.194 0.353 1.00 0.00 C ATOM 2022 C LYS B 133 6.336 6.679 0.203 1.00 0.00 C ATOM 2023 O LYS B 133 5.494 7.509 -0.150 1.00 0.00 O ATOM 2024 CB LYS B 133 6.031 4.487 -1.019 1.00 0.00 C ATOM 2025 CG LYS B 133 5.423 3.074 -1.121 1.00 0.00 C ATOM 2026 CD LYS B 133 5.951 2.007 -0.156 1.00 0.00 C ATOM 2027 CE LYS B 133 5.228 0.695 -0.500 1.00 0.00 C ATOM 2028 NZ LYS B 133 5.570 -0.420 0.419 1.00 0.00 N ATOM 0 H LYS B 133 3.885 5.330 0.359 1.00 0.00 H new ATOM 0 HA LYS B 133 6.697 4.747 1.027 1.00 0.00 H new ATOM 0 HB2 LYS B 133 5.529 5.123 -1.749 1.00 0.00 H new ATOM 0 HB3 LYS B 133 7.078 4.425 -1.317 1.00 0.00 H new ATOM 0 HG2 LYS B 133 4.347 3.159 -0.973 1.00 0.00 H new ATOM 0 HG3 LYS B 133 5.577 2.714 -2.138 1.00 0.00 H new ATOM 0 HD2 LYS B 133 7.030 1.892 -0.261 1.00 0.00 H new ATOM 0 HD3 LYS B 133 5.760 2.293 0.878 1.00 0.00 H new ATOM 0 HE2 LYS B 133 4.151 0.863 -0.472 1.00 0.00 H new ATOM 0 HE3 LYS B 133 5.479 0.406 -1.521 1.00 0.00 H new ATOM 0 HZ1 LYS B 133 5.190 -1.311 0.041 1.00 0.00 H new ATOM 0 HZ2 LYS B 133 6.604 -0.494 0.505 1.00 0.00 H new ATOM 0 HZ3 LYS B 133 5.157 -0.237 1.356 1.00 0.00 H new ATOM 2042 N THR B 134 7.622 6.982 0.410 1.00 0.00 N ATOM 2043 CA THR B 134 8.253 8.280 0.147 1.00 0.00 C ATOM 2044 C THR B 134 8.242 8.516 -1.357 1.00 0.00 C ATOM 2045 O THR B 134 9.023 7.896 -2.074 1.00 0.00 O ATOM 2046 CB THR B 134 9.684 8.297 0.707 1.00 0.00 C ATOM 2047 OG1 THR B 134 9.624 8.014 2.084 1.00 0.00 O ATOM 2048 CG2 THR B 134 10.356 9.661 0.551 1.00 0.00 C ATOM 0 H THR B 134 8.281 6.298 0.782 1.00 0.00 H new ATOM 0 HA THR B 134 7.703 9.080 0.642 1.00 0.00 H new ATOM 0 HB THR B 134 10.263 7.559 0.152 1.00 0.00 H new ATOM 0 HG1 THR B 134 10.530 8.019 2.459 1.00 0.00 H new ATOM 0 HG21 THR B 134 11.365 9.619 0.962 1.00 0.00 H new ATOM 0 HG22 THR B 134 10.406 9.923 -0.506 1.00 0.00 H new ATOM 0 HG23 THR B 134 9.777 10.415 1.085 1.00 0.00 H new ATOM 2056 N VAL B 135 7.342 9.376 -1.821 1.00 0.00 N ATOM 2057 CA VAL B 135 7.167 9.752 -3.238 1.00 0.00 C ATOM 2058 C VAL B 135 7.885 11.068 -3.574 1.00 0.00 C ATOM 2059 O VAL B 135 7.803 12.046 -2.834 1.00 0.00 O ATOM 2060 CB VAL B 135 5.672 9.788 -3.655 1.00 0.00 C ATOM 2061 CG1 VAL B 135 4.801 10.773 -2.858 1.00 0.00 C ATOM 2062 CG2 VAL B 135 5.527 10.071 -5.161 1.00 0.00 C ATOM 0 H VAL B 135 6.684 9.854 -1.205 1.00 0.00 H new ATOM 0 HA VAL B 135 7.640 8.968 -3.830 1.00 0.00 H new ATOM 0 HB VAL B 135 5.297 8.793 -3.417 1.00 0.00 H new ATOM 0 HG11 VAL B 135 3.774 10.727 -3.221 1.00 0.00 H new ATOM 0 HG12 VAL B 135 4.825 10.507 -1.801 1.00 0.00 H new ATOM 0 HG13 VAL B 135 5.186 11.785 -2.986 1.00 0.00 H new ATOM 0 HG21 VAL B 135 4.470 10.091 -5.427 1.00 0.00 H new ATOM 0 HG22 VAL B 135 5.979 11.035 -5.395 1.00 0.00 H new ATOM 0 HG23 VAL B 135 6.029 9.288 -5.728 1.00 0.00 H new ATOM 2072 N SER B 136 8.575 11.095 -4.718 1.00 0.00 N ATOM 2073 CA SER B 136 9.336 12.254 -5.213 1.00 0.00 C ATOM 2074 C SER B 136 9.060 12.535 -6.703 1.00 0.00 C ATOM 2075 O SER B 136 8.883 11.606 -7.495 1.00 0.00 O ATOM 2076 CB SER B 136 10.844 12.018 -5.033 1.00 0.00 C ATOM 2077 OG SER B 136 11.179 11.581 -3.723 1.00 0.00 O ATOM 0 H SER B 136 8.623 10.292 -5.345 1.00 0.00 H new ATOM 0 HA SER B 136 9.012 13.116 -4.630 1.00 0.00 H new ATOM 0 HB2 SER B 136 11.180 11.275 -5.756 1.00 0.00 H new ATOM 0 HB3 SER B 136 11.381 12.941 -5.252 1.00 0.00 H new ATOM 0 HG SER B 136 12.147 11.444 -3.662 1.00 0.00 H new ATOM 2083 N TYR B 137 9.062 13.812 -7.097 1.00 0.00 N ATOM 2084 CA TYR B 137 8.784 14.286 -8.463 1.00 0.00 C ATOM 2085 C TYR B 137 10.064 14.512 -9.293 1.00 0.00 C ATOM 2086 O TYR B 137 11.048 15.041 -8.770 1.00 0.00 O ATOM 2087 CB TYR B 137 7.995 15.600 -8.346 1.00 0.00 C ATOM 2088 CG TYR B 137 7.719 16.299 -9.663 1.00 0.00 C ATOM 2089 CD1 TYR B 137 6.890 15.685 -10.617 1.00 0.00 C ATOM 2090 CD2 TYR B 137 8.286 17.560 -9.939 1.00 0.00 C ATOM 2091 CE1 TYR B 137 6.575 16.347 -11.814 1.00 0.00 C ATOM 2092 CE2 TYR B 137 7.991 18.220 -11.148 1.00 0.00 C ATOM 2093 CZ TYR B 137 7.114 17.623 -12.082 1.00 0.00 C ATOM 2094 OH TYR B 137 6.779 18.267 -13.233 1.00 0.00 O ATOM 0 H TYR B 137 9.265 14.575 -6.452 1.00 0.00 H new ATOM 0 HA TYR B 137 8.214 13.520 -8.988 1.00 0.00 H new ATOM 0 HB2 TYR B 137 7.044 15.393 -7.855 1.00 0.00 H new ATOM 0 HB3 TYR B 137 8.547 16.281 -7.698 1.00 0.00 H new ATOM 0 HD1 TYR B 137 6.493 14.698 -10.428 1.00 0.00 H new ATOM 0 HD2 TYR B 137 8.948 18.021 -9.221 1.00 0.00 H new ATOM 0 HE1 TYR B 137 5.918 15.878 -12.532 1.00 0.00 H new ATOM 0 HE2 TYR B 137 8.435 19.181 -11.361 1.00 0.00 H new ATOM 0 HH TYR B 137 6.065 17.773 -13.688 1.00 0.00 H new ATOM 2104 N LEU B 138 10.045 14.165 -10.591 1.00 0.00 N ATOM 2105 CA LEU B 138 11.195 14.257 -11.507 1.00 0.00 C ATOM 2106 C LEU B 138 10.828 14.922 -12.859 1.00 0.00 C ATOM 2107 O LEU B 138 11.157 14.416 -13.940 1.00 0.00 O ATOM 2108 CB LEU B 138 11.779 12.836 -11.700 1.00 0.00 C ATOM 2109 CG LEU B 138 12.289 12.116 -10.432 1.00 0.00 C ATOM 2110 CD1 LEU B 138 12.667 10.675 -10.796 1.00 0.00 C ATOM 2111 CD2 LEU B 138 13.512 12.813 -9.816 1.00 0.00 C ATOM 0 H LEU B 138 9.206 13.803 -11.045 1.00 0.00 H new ATOM 0 HA LEU B 138 11.950 14.907 -11.065 1.00 0.00 H new ATOM 0 HB2 LEU B 138 11.012 12.213 -12.160 1.00 0.00 H new ATOM 0 HB3 LEU B 138 12.604 12.901 -12.409 1.00 0.00 H new ATOM 0 HG LEU B 138 11.488 12.138 -9.693 1.00 0.00 H new ATOM 0 HD11 LEU B 138 13.028 10.158 -9.907 1.00 0.00 H new ATOM 0 HD12 LEU B 138 11.791 10.157 -11.186 1.00 0.00 H new ATOM 0 HD13 LEU B 138 13.450 10.685 -11.554 1.00 0.00 H new ATOM 0 HD21 LEU B 138 13.832 12.269 -8.928 1.00 0.00 H new ATOM 0 HD22 LEU B 138 14.324 12.832 -10.542 1.00 0.00 H new ATOM 0 HD23 LEU B 138 13.248 13.834 -9.540 1.00 0.00 H new ATOM 2123 N GLY B 139 10.238 16.120 -12.794 1.00 0.00 N ATOM 2124 CA GLY B 139 10.142 17.071 -13.912 1.00 0.00 C ATOM 2125 C GLY B 139 9.018 16.840 -14.936 1.00 0.00 C ATOM 2126 O GLY B 139 8.273 15.856 -14.892 1.00 0.00 O ATOM 0 H GLY B 139 9.801 16.467 -11.940 1.00 0.00 H new ATOM 0 HA2 GLY B 139 10.019 18.071 -13.496 1.00 0.00 H new ATOM 0 HA3 GLY B 139 11.092 17.062 -14.446 1.00 0.00 H new ATOM 2130 N LEU B 140 8.923 17.797 -15.867 1.00 0.00 N ATOM 2131 CA LEU B 140 7.982 17.855 -16.997 1.00 0.00 C ATOM 2132 C LEU B 140 8.757 17.819 -18.323 1.00 0.00 C ATOM 2133 O LEU B 140 9.738 18.544 -18.496 1.00 0.00 O ATOM 2134 CB LEU B 140 7.130 19.133 -16.839 1.00 0.00 C ATOM 2135 CG LEU B 140 6.070 19.403 -17.931 1.00 0.00 C ATOM 2136 CD1 LEU B 140 4.965 20.311 -17.371 1.00 0.00 C ATOM 2137 CD2 LEU B 140 6.638 20.117 -19.172 1.00 0.00 C ATOM 0 H LEU B 140 9.543 18.607 -15.852 1.00 0.00 H new ATOM 0 HA LEU B 140 7.315 16.993 -17.005 1.00 0.00 H new ATOM 0 HB2 LEU B 140 6.621 19.085 -15.876 1.00 0.00 H new ATOM 0 HB3 LEU B 140 7.804 19.988 -16.801 1.00 0.00 H new ATOM 0 HG LEU B 140 5.697 18.423 -18.227 1.00 0.00 H new ATOM 0 HD11 LEU B 140 4.221 20.498 -18.145 1.00 0.00 H new ATOM 0 HD12 LEU B 140 4.489 19.823 -16.520 1.00 0.00 H new ATOM 0 HD13 LEU B 140 5.400 21.257 -17.050 1.00 0.00 H new ATOM 0 HD21 LEU B 140 5.840 20.275 -19.898 1.00 0.00 H new ATOM 0 HD22 LEU B 140 7.057 21.079 -18.878 1.00 0.00 H new ATOM 0 HD23 LEU B 140 7.419 19.503 -19.620 1.00 0.00 H new ATOM 2149 N GLU B 141 8.322 16.973 -19.259 1.00 0.00 N ATOM 2150 CA GLU B 141 9.033 16.664 -20.518 1.00 0.00 C ATOM 2151 C GLU B 141 8.914 17.706 -21.647 1.00 0.00 C ATOM 2152 O GLU B 141 7.770 18.008 -22.064 1.00 0.00 O ATOM 2153 CB GLU B 141 8.542 15.295 -21.003 1.00 0.00 C ATOM 2154 CG GLU B 141 9.507 14.684 -22.021 1.00 0.00 C ATOM 2155 CD GLU B 141 8.861 13.505 -22.744 1.00 0.00 C ATOM 2156 OE1 GLU B 141 8.612 12.445 -22.117 1.00 0.00 O ATOM 2157 OE2 GLU B 141 8.652 13.596 -23.977 1.00 0.00 O ATOM 2158 OXT GLU B 141 9.966 18.122 -22.189 1.00 0.00 O ATOM 0 H GLU B 141 7.442 16.466 -19.167 1.00 0.00 H new ATOM 0 HA GLU B 141 10.096 16.673 -20.279 1.00 0.00 H new ATOM 0 HB2 GLU B 141 8.435 14.623 -20.152 1.00 0.00 H new ATOM 0 HB3 GLU B 141 7.555 15.399 -21.453 1.00 0.00 H new ATOM 0 HG2 GLU B 141 9.805 15.441 -22.746 1.00 0.00 H new ATOM 0 HG3 GLU B 141 10.414 14.353 -21.515 1.00 0.00 H new TER 2165 GLU B 141 HETATM 2166 CU CU A 142 6.620 -3.109 -1.850 1.00 0.00 CU