USER MOD reduce.3.24.130724 H: found=0, std=0, add=925, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 927 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 67 SER OG : rot 180:sc= -0.41 USER MOD Set 1.2: B 76 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: B 54 ASN :FLIP amide:sc= -2.62! C(o=-7.8!,f=-6.3!) USER MOD Set 2.2: B 59 SER OG : rot -151:sc= -3.69! USER MOD Set 3.1: A 20 TYR OH : rot -130:sc= 1.04 USER MOD Set 3.2: B 97 LYS NZ :NH3+ -141:sc= 1.11 (180deg=-0.35) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=-0.0075) USER MOD Single : A 4 MET CE :methyl 167:sc= -1.65 (180deg=-2.36!) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 GLN :FLIP amide:sc= -1.62! C(o=-2.3!,f=-1.6!) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : B 25 HIS : no HD1:sc= 0 X(o=0,f=-0.0048) USER MOD Single : B 27 GLN : amide:sc= -1.09 X(o=-1.1,f=-0.62) USER MOD Single : B 28 GLN : amide:sc= -0.114 X(o=-0.11,f=-0.091) USER MOD Single : B 34 TYR OH : rot -43:sc= 0.389 USER MOD Single : B 37 LYS NZ :NH3+ -127:sc= 0.158 (180deg=-0.303) USER MOD Single : B 38 MET CE :methyl -120:sc= -0.306 (180deg=-1.56) USER MOD Single : B 39 LYS NZ :NH3+ -171:sc= -0.0429 (180deg=-0.189) USER MOD Single : B 42 LYS NZ :NH3+ 164:sc= -0.0169 (180deg=-0.263) USER MOD Single : B 46 TYR OH : rot -141:sc= 0.678 USER MOD Single : B 47 LYS NZ :NH3+ 176:sc= 2.2 (180deg=1.86) USER MOD Single : B 55 LYS NZ :NH3+ -178:sc= 1.28 (180deg=1.25) USER MOD Single : B 58 ASN :FLIP amide:sc= -1.31 F(o=-3.7!,f=-1.3) USER MOD Single : B 60 LYS NZ :NH3+ -154:sc= 1.25 (180deg=1.1) USER MOD Single : B 65 SER OG : rot 180:sc= 0 USER MOD Single : B 68 TYR OH : rot 117:sc= 0.0402 USER MOD Single : B 69 ASN :FLIP amide:sc= -0.267 F(o=-2.8!,f=-0.27) USER MOD Single : B 73 ASN : amide:sc= -2.37 K(o=-2.4,f=-6.1!) USER MOD Single : B 78 ASN : amide:sc= 0.71 K(o=0.71,f=-3.3!) USER MOD Single : B 80 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0526) USER MOD Single : B 82 SER OG : rot 180:sc= 0 USER MOD Single : B 92 ASN :FLIP amide:sc= -0.601 F(o=-1.7,f=-0.6) USER MOD Single : B 100 HIS : no HE2:sc= 1.16 K(o=1.2,f=-3.8!) USER MOD Single : B 103 LYS NZ :NH3+ 180:sc= 0.882 (180deg=0.882) USER MOD Single : B 106 THR OG1 : rot 54:sc= 0.657 USER MOD Single : B 108 TYR OH : rot 30:sc= 0 USER MOD Single : B 110 TYR OH : rot -175:sc= 0.985 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 10.169 24.403 -1.963 1.00 0.00 N ATOM 2 CA GLY A 1 10.255 23.723 -3.276 1.00 0.00 C ATOM 3 C GLY A 1 10.070 22.224 -3.152 1.00 0.00 C ATOM 4 O GLY A 1 10.915 21.544 -2.568 1.00 0.00 O ATOM 0 H1 GLY A 1 10.301 25.426 -2.093 1.00 0.00 H new ATOM 0 H2 GLY A 1 9.236 24.225 -1.540 1.00 0.00 H new ATOM 0 H3 GLY A 1 10.910 24.036 -1.333 1.00 0.00 H new ATOM 0 HA2 GLY A 1 9.495 24.128 -3.944 1.00 0.00 H new ATOM 0 HA3 GLY A 1 11.224 23.932 -3.730 1.00 0.00 H new ATOM 10 N PRO A 2 8.960 21.678 -3.676 1.00 0.00 N ATOM 11 CA PRO A 2 8.693 20.237 -3.647 1.00 0.00 C ATOM 12 C PRO A 2 9.720 19.453 -4.458 1.00 0.00 C ATOM 13 O PRO A 2 9.915 19.716 -5.645 1.00 0.00 O ATOM 14 CB PRO A 2 7.303 20.100 -4.283 1.00 0.00 C ATOM 15 CG PRO A 2 6.715 21.470 -4.249 1.00 0.00 C ATOM 16 CD PRO A 2 7.873 22.421 -4.331 1.00 0.00 C ATOM 0 HA PRO A 2 8.746 19.839 -2.634 1.00 0.00 H new ATOM 0 HB2 PRO A 2 7.374 19.728 -5.305 1.00 0.00 H new ATOM 0 HB3 PRO A 2 6.685 19.393 -3.729 1.00 0.00 H new ATOM 0 HG2 PRO A 2 6.028 21.620 -5.082 1.00 0.00 H new ATOM 0 HG3 PRO A 2 6.145 21.627 -3.333 1.00 0.00 H new ATOM 0 HD2 PRO A 2 8.119 22.669 -5.364 1.00 0.00 H new ATOM 0 HD3 PRO A 2 7.661 23.360 -3.820 1.00 0.00 H new ATOM 24 N HIS A 3 10.372 18.490 -3.817 1.00 0.00 N ATOM 25 CA HIS A 3 11.406 17.689 -4.471 1.00 0.00 C ATOM 26 C HIS A 3 10.803 16.601 -5.357 1.00 0.00 C ATOM 27 O HIS A 3 11.192 15.437 -5.270 1.00 0.00 O ATOM 28 CB HIS A 3 12.336 17.055 -3.432 1.00 0.00 C ATOM 29 CG HIS A 3 13.149 18.049 -2.662 1.00 0.00 C ATOM 30 ND1 HIS A 3 13.300 17.999 -1.294 1.00 0.00 N ATOM 31 CD2 HIS A 3 13.864 19.119 -3.077 1.00 0.00 C ATOM 32 CE1 HIS A 3 14.070 18.995 -0.902 1.00 0.00 C ATOM 33 NE2 HIS A 3 14.426 19.689 -1.965 1.00 0.00 N ATOM 0 H HIS A 3 10.204 18.243 -2.842 1.00 0.00 H new ATOM 0 HA HIS A 3 11.982 18.362 -5.106 1.00 0.00 H new ATOM 0 HB2 HIS A 3 11.739 16.469 -2.733 1.00 0.00 H new ATOM 0 HB3 HIS A 3 13.009 16.361 -3.936 1.00 0.00 H new ATOM 0 HD2 HIS A 3 13.972 19.461 -4.096 1.00 0.00 H new ATOM 0 HE1 HIS A 3 14.360 19.206 0.117 1.00 0.00 H new ATOM 0 HE2 HIS A 3 15.023 20.516 -1.960 1.00 0.00 H new ATOM 42 N MET A 4 9.851 16.997 -6.200 1.00 0.00 N ATOM 43 CA MET A 4 9.227 16.102 -7.178 1.00 0.00 C ATOM 44 C MET A 4 8.426 14.974 -6.530 1.00 0.00 C ATOM 45 O MET A 4 8.391 14.815 -5.305 1.00 0.00 O ATOM 46 CB MET A 4 10.278 15.506 -8.125 1.00 0.00 C ATOM 47 CG MET A 4 10.790 16.475 -9.180 1.00 0.00 C ATOM 48 SD MET A 4 9.841 16.420 -10.722 1.00 0.00 S ATOM 49 CE MET A 4 8.213 16.939 -10.184 1.00 0.00 C ATOM 0 H MET A 4 9.488 17.950 -6.226 1.00 0.00 H new ATOM 0 HA MET A 4 8.528 16.717 -7.744 1.00 0.00 H new ATOM 0 HB2 MET A 4 11.122 15.150 -7.534 1.00 0.00 H new ATOM 0 HB3 MET A 4 9.849 14.637 -8.624 1.00 0.00 H new ATOM 0 HG2 MET A 4 10.760 17.488 -8.779 1.00 0.00 H new ATOM 0 HG3 MET A 4 11.834 16.249 -9.396 1.00 0.00 H new ATOM 0 HE1 MET A 4 7.599 17.171 -11.054 1.00 0.00 H new ATOM 0 HE2 MET A 4 7.746 16.137 -9.613 1.00 0.00 H new ATOM 0 HE3 MET A 4 8.303 17.826 -9.557 1.00 0.00 H new ATOM 59 N SER A 5 7.773 14.201 -7.382 1.00 0.00 N ATOM 60 CA SER A 5 7.004 13.047 -6.963 1.00 0.00 C ATOM 61 C SER A 5 6.971 12.025 -8.094 1.00 0.00 C ATOM 62 O SER A 5 6.668 12.365 -9.240 1.00 0.00 O ATOM 63 CB SER A 5 5.587 13.465 -6.564 1.00 0.00 C ATOM 64 OG SER A 5 4.981 14.261 -7.570 1.00 0.00 O ATOM 0 H SER A 5 7.763 14.360 -8.390 1.00 0.00 H new ATOM 0 HA SER A 5 7.476 12.595 -6.091 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.980 12.577 -6.386 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.620 14.022 -5.628 1.00 0.00 H new ATOM 0 HG SER A 5 4.076 14.512 -7.288 1.00 0.00 H new ATOM 70 N VAL A 6 7.304 10.788 -7.782 1.00 0.00 N ATOM 71 CA VAL A 6 7.387 9.747 -8.792 1.00 0.00 C ATOM 72 C VAL A 6 6.294 8.710 -8.592 1.00 0.00 C ATOM 73 O VAL A 6 5.945 8.371 -7.465 1.00 0.00 O ATOM 74 CB VAL A 6 8.766 9.056 -8.778 1.00 0.00 C ATOM 75 CG1 VAL A 6 9.841 10.007 -9.278 1.00 0.00 C ATOM 76 CG2 VAL A 6 9.106 8.552 -7.383 1.00 0.00 C ATOM 0 H VAL A 6 7.522 10.477 -6.835 1.00 0.00 H new ATOM 0 HA VAL A 6 7.250 10.227 -9.761 1.00 0.00 H new ATOM 0 HB VAL A 6 8.724 8.197 -9.448 1.00 0.00 H new ATOM 0 HG11 VAL A 6 10.808 9.504 -9.262 1.00 0.00 H new ATOM 0 HG12 VAL A 6 9.609 10.315 -10.298 1.00 0.00 H new ATOM 0 HG13 VAL A 6 9.878 10.885 -8.634 1.00 0.00 H new ATOM 0 HG21 VAL A 6 10.083 8.069 -7.399 1.00 0.00 H new ATOM 0 HG22 VAL A 6 9.128 9.391 -6.688 1.00 0.00 H new ATOM 0 HG23 VAL A 6 8.351 7.834 -7.061 1.00 0.00 H new ATOM 86 N GLN A 7 5.756 8.212 -9.689 1.00 0.00 N ATOM 87 CA GLN A 7 4.678 7.243 -9.632 1.00 0.00 C ATOM 88 C GLN A 7 5.255 5.841 -9.519 1.00 0.00 C ATOM 89 O GLN A 7 6.244 5.512 -10.177 1.00 0.00 O ATOM 90 CB GLN A 7 3.767 7.352 -10.864 1.00 0.00 C ATOM 91 CG GLN A 7 4.400 6.895 -12.176 1.00 0.00 C ATOM 92 CD GLN A 7 5.545 7.780 -12.639 1.00 0.00 C ATOM 93 OE1 GLN A 7 6.764 7.418 -12.263 1.00 0.00 O flip ATOM 94 NE2 GLN A 7 5.340 8.773 -13.335 1.00 0.00 N flip ATOM 0 H GLN A 7 6.049 8.463 -10.633 1.00 0.00 H new ATOM 0 HA GLN A 7 4.070 7.453 -8.752 1.00 0.00 H new ATOM 0 HB2 GLN A 7 2.868 6.761 -10.686 1.00 0.00 H new ATOM 0 HB3 GLN A 7 3.450 8.389 -10.973 1.00 0.00 H new ATOM 0 HG2 GLN A 7 4.765 5.875 -12.058 1.00 0.00 H new ATOM 0 HG3 GLN A 7 3.634 6.871 -12.951 1.00 0.00 H new ATOM 0 HE21 GLN A 7 4.387 9.019 -13.604 1.00 0.00 H new ATOM 0 HE22 GLN A 7 6.123 9.350 -13.643 1.00 0.00 H new ATOM 103 N ILE A 8 4.661 5.026 -8.670 1.00 0.00 N ATOM 104 CA ILE A 8 5.156 3.676 -8.462 1.00 0.00 C ATOM 105 C ILE A 8 4.192 2.661 -9.066 1.00 0.00 C ATOM 106 O ILE A 8 3.010 2.634 -8.720 1.00 0.00 O ATOM 107 CB ILE A 8 5.347 3.353 -6.965 1.00 0.00 C ATOM 108 CG1 ILE A 8 5.910 4.560 -6.205 1.00 0.00 C ATOM 109 CG2 ILE A 8 6.274 2.155 -6.806 1.00 0.00 C ATOM 110 CD1 ILE A 8 7.249 5.040 -6.716 1.00 0.00 C ATOM 0 H ILE A 8 3.841 5.271 -8.116 1.00 0.00 H new ATOM 0 HA ILE A 8 6.127 3.614 -8.954 1.00 0.00 H new ATOM 0 HB ILE A 8 4.372 3.113 -6.542 1.00 0.00 H new ATOM 0 HG12 ILE A 8 5.195 5.380 -6.266 1.00 0.00 H new ATOM 0 HG13 ILE A 8 6.007 4.299 -5.151 1.00 0.00 H new ATOM 0 HG21 ILE A 8 6.404 1.933 -5.747 1.00 0.00 H new ATOM 0 HG22 ILE A 8 5.840 1.290 -7.307 1.00 0.00 H new ATOM 0 HG23 ILE A 8 7.243 2.383 -7.250 1.00 0.00 H new ATOM 0 HD11 ILE A 8 7.578 5.896 -6.126 1.00 0.00 H new ATOM 0 HD12 ILE A 8 7.981 4.237 -6.630 1.00 0.00 H new ATOM 0 HD13 ILE A 8 7.155 5.334 -7.761 1.00 0.00 H new ATOM 122 N PRO A 9 4.677 1.833 -10.000 1.00 0.00 N ATOM 123 CA PRO A 9 3.865 0.783 -10.613 1.00 0.00 C ATOM 124 C PRO A 9 3.551 -0.348 -9.637 1.00 0.00 C ATOM 125 O PRO A 9 4.447 -0.906 -9.001 1.00 0.00 O ATOM 126 CB PRO A 9 4.733 0.276 -11.764 1.00 0.00 C ATOM 127 CG PRO A 9 6.132 0.616 -11.375 1.00 0.00 C ATOM 128 CD PRO A 9 6.046 1.867 -10.541 1.00 0.00 C ATOM 0 HA PRO A 9 2.894 1.158 -10.936 1.00 0.00 H new ATOM 0 HB2 PRO A 9 4.613 -0.798 -11.905 1.00 0.00 H new ATOM 0 HB3 PRO A 9 4.458 0.753 -12.705 1.00 0.00 H new ATOM 0 HG2 PRO A 9 6.587 -0.197 -10.810 1.00 0.00 H new ATOM 0 HG3 PRO A 9 6.752 0.778 -12.256 1.00 0.00 H new ATOM 0 HD2 PRO A 9 6.791 1.870 -9.745 1.00 0.00 H new ATOM 0 HD3 PRO A 9 6.217 2.761 -11.141 1.00 0.00 H new ATOM 136 N VAL A 10 2.276 -0.674 -9.520 1.00 0.00 N ATOM 137 CA VAL A 10 1.841 -1.745 -8.635 1.00 0.00 C ATOM 138 C VAL A 10 1.539 -3.011 -9.429 1.00 0.00 C ATOM 139 O VAL A 10 0.841 -2.972 -10.443 1.00 0.00 O ATOM 140 CB VAL A 10 0.606 -1.333 -7.793 1.00 0.00 C ATOM 141 CG1 VAL A 10 -0.453 -0.666 -8.655 1.00 0.00 C ATOM 142 CG2 VAL A 10 0.015 -2.536 -7.069 1.00 0.00 C ATOM 0 H VAL A 10 1.521 -0.213 -10.027 1.00 0.00 H new ATOM 0 HA VAL A 10 2.661 -1.946 -7.945 1.00 0.00 H new ATOM 0 HB VAL A 10 0.944 -0.611 -7.049 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.306 -0.389 -8.035 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -0.035 0.228 -9.118 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -0.779 -1.358 -9.432 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.850 -2.221 -6.485 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -0.293 -3.285 -7.799 1.00 0.00 H new ATOM 0 HG23 VAL A 10 0.765 -2.965 -6.404 1.00 0.00 H new ATOM 152 N VAL A 11 2.086 -4.128 -8.974 1.00 0.00 N ATOM 153 CA VAL A 11 1.862 -5.406 -9.625 1.00 0.00 C ATOM 154 C VAL A 11 0.752 -6.166 -8.909 1.00 0.00 C ATOM 155 O VAL A 11 0.838 -6.413 -7.705 1.00 0.00 O ATOM 156 CB VAL A 11 3.147 -6.261 -9.642 1.00 0.00 C ATOM 157 CG1 VAL A 11 2.917 -7.572 -10.377 1.00 0.00 C ATOM 158 CG2 VAL A 11 4.297 -5.488 -10.271 1.00 0.00 C ATOM 0 H VAL A 11 2.690 -4.173 -8.153 1.00 0.00 H new ATOM 0 HA VAL A 11 1.568 -5.210 -10.656 1.00 0.00 H new ATOM 0 HB VAL A 11 3.413 -6.493 -8.611 1.00 0.00 H new ATOM 0 HG11 VAL A 11 3.837 -8.156 -10.375 1.00 0.00 H new ATOM 0 HG12 VAL A 11 2.128 -8.135 -9.878 1.00 0.00 H new ATOM 0 HG13 VAL A 11 2.620 -7.365 -11.405 1.00 0.00 H new ATOM 0 HG21 VAL A 11 5.194 -6.108 -10.274 1.00 0.00 H new ATOM 0 HG22 VAL A 11 4.038 -5.220 -11.295 1.00 0.00 H new ATOM 0 HG23 VAL A 11 4.484 -4.582 -9.695 1.00 0.00 H new ATOM 168 N GLU A 12 -0.302 -6.504 -9.637 1.00 0.00 N ATOM 169 CA GLU A 12 -1.421 -7.229 -9.055 1.00 0.00 C ATOM 170 C GLU A 12 -1.277 -8.724 -9.291 1.00 0.00 C ATOM 171 O GLU A 12 -1.469 -9.215 -10.403 1.00 0.00 O ATOM 172 CB GLU A 12 -2.750 -6.722 -9.613 1.00 0.00 C ATOM 173 CG GLU A 12 -3.015 -5.268 -9.270 1.00 0.00 C ATOM 174 CD GLU A 12 -4.405 -4.812 -9.650 1.00 0.00 C ATOM 175 OE1 GLU A 12 -4.611 -4.421 -10.817 1.00 0.00 O ATOM 176 OE2 GLU A 12 -5.295 -4.827 -8.771 1.00 0.00 O ATOM 0 H GLU A 12 -0.406 -6.289 -10.629 1.00 0.00 H new ATOM 0 HA GLU A 12 -1.414 -7.050 -7.980 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -2.753 -6.841 -10.696 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -3.561 -7.336 -9.222 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -2.871 -5.122 -8.199 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -2.282 -4.642 -9.779 1.00 0.00 H new ATOM 183 N VAL A 13 -0.934 -9.434 -8.232 1.00 0.00 N ATOM 184 CA VAL A 13 -0.709 -10.873 -8.296 1.00 0.00 C ATOM 185 C VAL A 13 -1.509 -11.599 -7.220 1.00 0.00 C ATOM 186 O VAL A 13 -2.300 -10.978 -6.506 1.00 0.00 O ATOM 187 CB VAL A 13 0.789 -11.211 -8.136 1.00 0.00 C ATOM 188 CG1 VAL A 13 1.541 -10.926 -9.425 1.00 0.00 C ATOM 189 CG2 VAL A 13 1.395 -10.424 -6.981 1.00 0.00 C ATOM 0 H VAL A 13 -0.803 -9.034 -7.303 1.00 0.00 H new ATOM 0 HA VAL A 13 -1.044 -11.209 -9.277 1.00 0.00 H new ATOM 0 HB VAL A 13 0.878 -12.274 -7.913 1.00 0.00 H new ATOM 0 HG11 VAL A 13 2.595 -11.170 -9.293 1.00 0.00 H new ATOM 0 HG12 VAL A 13 1.126 -11.533 -10.230 1.00 0.00 H new ATOM 0 HG13 VAL A 13 1.442 -9.870 -9.678 1.00 0.00 H new ATOM 0 HG21 VAL A 13 2.451 -10.676 -6.884 1.00 0.00 H new ATOM 0 HG22 VAL A 13 1.293 -9.356 -7.175 1.00 0.00 H new ATOM 0 HG23 VAL A 13 0.875 -10.676 -6.057 1.00 0.00 H new ATOM 199 N ASP A 14 -1.314 -12.909 -7.107 1.00 0.00 N ATOM 200 CA ASP A 14 -2.003 -13.699 -6.088 1.00 0.00 C ATOM 201 C ASP A 14 -1.077 -13.937 -4.904 1.00 0.00 C ATOM 202 O ASP A 14 -1.524 -14.177 -3.781 1.00 0.00 O ATOM 203 CB ASP A 14 -2.477 -15.039 -6.662 1.00 0.00 C ATOM 204 CG ASP A 14 -3.316 -15.837 -5.677 1.00 0.00 C ATOM 205 OD1 ASP A 14 -4.530 -15.567 -5.563 1.00 0.00 O ATOM 206 OD2 ASP A 14 -2.775 -16.751 -5.019 1.00 0.00 O ATOM 0 H ASP A 14 -0.687 -13.446 -7.706 1.00 0.00 H new ATOM 0 HA ASP A 14 -2.879 -13.142 -5.755 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -3.060 -14.857 -7.565 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -1.610 -15.630 -6.956 1.00 0.00 H new ATOM 211 N GLU A 15 0.220 -13.850 -5.168 1.00 0.00 N ATOM 212 CA GLU A 15 1.236 -14.039 -4.148 1.00 0.00 C ATOM 213 C GLU A 15 2.506 -13.302 -4.541 1.00 0.00 C ATOM 214 O GLU A 15 2.733 -13.033 -5.721 1.00 0.00 O ATOM 215 CB GLU A 15 1.551 -15.525 -3.954 1.00 0.00 C ATOM 216 CG GLU A 15 2.156 -16.206 -5.173 1.00 0.00 C ATOM 217 CD GLU A 15 1.124 -16.649 -6.187 1.00 0.00 C ATOM 218 OE1 GLU A 15 0.435 -17.661 -5.935 1.00 0.00 O ATOM 219 OE2 GLU A 15 1.013 -16.001 -7.249 1.00 0.00 O ATOM 0 H GLU A 15 0.594 -13.647 -6.095 1.00 0.00 H new ATOM 0 HA GLU A 15 0.852 -13.639 -3.210 1.00 0.00 H new ATOM 0 HB2 GLU A 15 2.239 -15.631 -3.115 1.00 0.00 H new ATOM 0 HB3 GLU A 15 0.633 -16.045 -3.681 1.00 0.00 H new ATOM 0 HG2 GLU A 15 2.856 -15.521 -5.653 1.00 0.00 H new ATOM 0 HG3 GLU A 15 2.731 -17.073 -4.848 1.00 0.00 H new ATOM 226 N LEU A 16 3.322 -12.968 -3.555 1.00 0.00 N ATOM 227 CA LEU A 16 4.594 -12.319 -3.811 1.00 0.00 C ATOM 228 C LEU A 16 5.647 -13.367 -4.142 1.00 0.00 C ATOM 229 O LEU A 16 5.614 -14.478 -3.604 1.00 0.00 O ATOM 230 CB LEU A 16 5.050 -11.506 -2.593 1.00 0.00 C ATOM 231 CG LEU A 16 4.062 -10.464 -2.059 1.00 0.00 C ATOM 232 CD1 LEU A 16 3.221 -9.878 -3.177 1.00 0.00 C ATOM 233 CD2 LEU A 16 3.188 -11.056 -0.970 1.00 0.00 C ATOM 0 H LEU A 16 3.124 -13.137 -2.569 1.00 0.00 H new ATOM 0 HA LEU A 16 4.468 -11.640 -4.655 1.00 0.00 H new ATOM 0 HB2 LEU A 16 5.282 -12.201 -1.786 1.00 0.00 H new ATOM 0 HB3 LEU A 16 5.978 -10.996 -2.851 1.00 0.00 H new ATOM 0 HG LEU A 16 4.640 -9.650 -1.622 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.530 -9.142 -2.765 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.871 -9.396 -3.907 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.656 -10.674 -3.663 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.495 -10.297 -0.607 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.625 -11.898 -1.373 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.815 -11.399 -0.147 1.00 0.00 H new ATOM 245 N PRO A 17 6.594 -13.030 -5.028 1.00 0.00 N ATOM 246 CA PRO A 17 7.661 -13.946 -5.425 1.00 0.00 C ATOM 247 C PRO A 17 8.653 -14.201 -4.291 1.00 0.00 C ATOM 248 O PRO A 17 8.571 -13.577 -3.230 1.00 0.00 O ATOM 249 CB PRO A 17 8.342 -13.232 -6.594 1.00 0.00 C ATOM 250 CG PRO A 17 8.035 -11.788 -6.401 1.00 0.00 C ATOM 251 CD PRO A 17 6.702 -11.722 -5.705 1.00 0.00 C ATOM 0 HA PRO A 17 7.274 -14.930 -5.690 1.00 0.00 H new ATOM 0 HB2 PRO A 17 9.417 -13.410 -6.592 1.00 0.00 H new ATOM 0 HB3 PRO A 17 7.962 -13.591 -7.550 1.00 0.00 H new ATOM 0 HG2 PRO A 17 8.808 -11.304 -5.804 1.00 0.00 H new ATOM 0 HG3 PRO A 17 7.999 -11.268 -7.358 1.00 0.00 H new ATOM 0 HD2 PRO A 17 6.663 -10.898 -4.992 1.00 0.00 H new ATOM 0 HD3 PRO A 17 5.888 -11.570 -6.413 1.00 0.00 H new ATOM 259 N GLU A 18 9.581 -15.122 -4.522 1.00 0.00 N ATOM 260 CA GLU A 18 10.561 -15.514 -3.511 1.00 0.00 C ATOM 261 C GLU A 18 11.287 -14.309 -2.923 1.00 0.00 C ATOM 262 O GLU A 18 11.629 -13.359 -3.636 1.00 0.00 O ATOM 263 CB GLU A 18 11.576 -16.478 -4.112 1.00 0.00 C ATOM 264 CG GLU A 18 10.963 -17.778 -4.592 1.00 0.00 C ATOM 265 CD GLU A 18 11.989 -18.704 -5.198 1.00 0.00 C ATOM 266 OE1 GLU A 18 12.638 -19.453 -4.440 1.00 0.00 O ATOM 267 OE2 GLU A 18 12.157 -18.682 -6.434 1.00 0.00 O ATOM 0 H GLU A 18 9.677 -15.617 -5.409 1.00 0.00 H new ATOM 0 HA GLU A 18 10.017 -16.005 -2.704 1.00 0.00 H new ATOM 0 HB2 GLU A 18 12.077 -15.991 -4.949 1.00 0.00 H new ATOM 0 HB3 GLU A 18 12.341 -16.699 -3.367 1.00 0.00 H new ATOM 0 HG2 GLU A 18 10.475 -18.278 -3.755 1.00 0.00 H new ATOM 0 HG3 GLU A 18 10.190 -17.562 -5.330 1.00 0.00 H new ATOM 274 N GLY A 19 11.509 -14.355 -1.618 1.00 0.00 N ATOM 275 CA GLY A 19 12.195 -13.278 -0.934 1.00 0.00 C ATOM 276 C GLY A 19 11.240 -12.397 -0.161 1.00 0.00 C ATOM 277 O GLY A 19 11.640 -11.691 0.763 1.00 0.00 O ATOM 0 H GLY A 19 11.223 -15.127 -1.015 1.00 0.00 H new ATOM 0 HA2 GLY A 19 12.935 -13.696 -0.252 1.00 0.00 H new ATOM 0 HA3 GLY A 19 12.737 -12.674 -1.662 1.00 0.00 H new ATOM 281 N TYR A 20 9.968 -12.449 -0.534 1.00 0.00 N ATOM 282 CA TYR A 20 8.948 -11.643 0.116 1.00 0.00 C ATOM 283 C TYR A 20 8.331 -12.372 1.297 1.00 0.00 C ATOM 284 O TYR A 20 8.202 -13.597 1.291 1.00 0.00 O ATOM 285 CB TYR A 20 7.863 -11.258 -0.878 1.00 0.00 C ATOM 286 CG TYR A 20 8.277 -10.156 -1.820 1.00 0.00 C ATOM 287 CD1 TYR A 20 8.222 -8.833 -1.416 1.00 0.00 C ATOM 288 CD2 TYR A 20 8.714 -10.432 -3.106 1.00 0.00 C ATOM 289 CE1 TYR A 20 8.592 -7.813 -2.263 1.00 0.00 C ATOM 290 CE2 TYR A 20 9.086 -9.415 -3.963 1.00 0.00 C ATOM 291 CZ TYR A 20 9.023 -8.108 -3.536 1.00 0.00 C ATOM 292 OH TYR A 20 9.398 -7.092 -4.381 1.00 0.00 O ATOM 0 H TYR A 20 9.619 -13.043 -1.286 1.00 0.00 H new ATOM 0 HA TYR A 20 9.431 -10.740 0.489 1.00 0.00 H new ATOM 0 HB2 TYR A 20 7.585 -12.137 -1.459 1.00 0.00 H new ATOM 0 HB3 TYR A 20 6.974 -10.943 -0.331 1.00 0.00 H new ATOM 0 HD1 TYR A 20 7.883 -8.597 -0.418 1.00 0.00 H new ATOM 0 HD2 TYR A 20 8.764 -11.457 -3.443 1.00 0.00 H new ATOM 0 HE1 TYR A 20 8.544 -6.787 -1.930 1.00 0.00 H new ATOM 0 HE2 TYR A 20 9.424 -9.644 -4.963 1.00 0.00 H new ATOM 0 HH TYR A 20 8.944 -7.199 -5.243 1.00 0.00 H new ATOM 302 N ASP A 21 7.949 -11.605 2.304 1.00 0.00 N ATOM 303 CA ASP A 21 7.410 -12.162 3.533 1.00 0.00 C ATOM 304 C ASP A 21 5.913 -11.898 3.626 1.00 0.00 C ATOM 305 O ASP A 21 5.485 -10.763 3.856 1.00 0.00 O ATOM 306 CB ASP A 21 8.124 -11.552 4.742 1.00 0.00 C ATOM 307 CG ASP A 21 7.959 -12.386 5.997 1.00 0.00 C ATOM 308 OD1 ASP A 21 8.755 -13.334 6.189 1.00 0.00 O ATOM 309 OD2 ASP A 21 7.046 -12.102 6.801 1.00 0.00 O ATOM 0 H ASP A 21 8.003 -10.586 2.294 1.00 0.00 H new ATOM 0 HA ASP A 21 7.574 -13.240 3.527 1.00 0.00 H new ATOM 0 HB2 ASP A 21 9.185 -11.446 4.517 1.00 0.00 H new ATOM 0 HB3 ASP A 21 7.735 -10.550 4.922 1.00 0.00 H new ATOM 314 N ARG A 22 5.126 -12.943 3.421 1.00 0.00 N ATOM 315 CA ARG A 22 3.679 -12.848 3.529 1.00 0.00 C ATOM 316 C ARG A 22 3.191 -13.763 4.646 1.00 0.00 C ATOM 317 O ARG A 22 3.832 -14.774 4.938 1.00 0.00 O ATOM 318 CB ARG A 22 3.013 -13.217 2.194 1.00 0.00 C ATOM 319 CG ARG A 22 1.496 -13.082 2.208 1.00 0.00 C ATOM 320 CD ARG A 22 0.892 -13.223 0.817 1.00 0.00 C ATOM 321 NE ARG A 22 1.100 -14.552 0.245 1.00 0.00 N ATOM 322 CZ ARG A 22 0.267 -15.133 -0.614 1.00 0.00 C ATOM 323 NH1 ARG A 22 -0.826 -14.498 -1.014 1.00 0.00 N ATOM 324 NH2 ARG A 22 0.528 -16.351 -1.076 1.00 0.00 N ATOM 0 H ARG A 22 5.468 -13.872 3.177 1.00 0.00 H new ATOM 0 HA ARG A 22 3.405 -11.820 3.767 1.00 0.00 H new ATOM 0 HB2 ARG A 22 3.418 -12.580 1.408 1.00 0.00 H new ATOM 0 HB3 ARG A 22 3.275 -14.244 1.939 1.00 0.00 H new ATOM 0 HG2 ARG A 22 1.072 -13.841 2.865 1.00 0.00 H new ATOM 0 HG3 ARG A 22 1.223 -12.112 2.624 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -0.177 -13.016 0.867 1.00 0.00 H new ATOM 0 HD3 ARG A 22 1.331 -12.475 0.157 1.00 0.00 H new ATOM 0 HE ARG A 22 1.936 -15.066 0.522 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -1.029 -13.562 -0.663 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -1.463 -14.945 -1.673 1.00 0.00 H new ATOM 0 HH21 ARG A 22 1.369 -16.842 -0.772 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -0.112 -16.795 -1.735 1.00 0.00 H new ATOM 338 N SER A 23 2.070 -13.392 5.261 1.00 0.00 N ATOM 339 CA SER A 23 1.509 -14.123 6.393 1.00 0.00 C ATOM 340 C SER A 23 2.415 -13.974 7.613 1.00 0.00 C ATOM 341 O SER A 23 2.250 -12.979 8.349 1.00 0.00 O ATOM 342 CB SER A 23 1.291 -15.604 6.043 1.00 0.00 C ATOM 343 OG SER A 23 0.669 -16.309 7.106 1.00 0.00 O ATOM 344 OXT SER A 23 3.290 -14.836 7.828 1.00 0.00 O ATOM 0 H SER A 23 1.525 -12.575 4.987 1.00 0.00 H new ATOM 0 HA SER A 23 0.534 -13.697 6.631 1.00 0.00 H new ATOM 0 HB2 SER A 23 0.675 -15.679 5.147 1.00 0.00 H new ATOM 0 HB3 SER A 23 2.250 -16.068 5.811 1.00 0.00 H new ATOM 0 HG SER A 23 0.545 -17.246 6.848 1.00 0.00 H new TER 350 SER A 23 ATOM 351 N PRO B 24 -23.338 16.067 3.961 1.00 0.00 N ATOM 352 CA PRO B 24 -21.875 16.249 3.952 1.00 0.00 C ATOM 353 C PRO B 24 -21.233 15.363 5.007 1.00 0.00 C ATOM 354 O PRO B 24 -21.791 15.189 6.089 1.00 0.00 O ATOM 355 CB PRO B 24 -21.561 17.714 4.218 1.00 0.00 C ATOM 356 CG PRO B 24 -22.899 18.323 4.462 1.00 0.00 C ATOM 357 CD PRO B 24 -23.903 17.415 3.790 1.00 0.00 C ATOM 0 HA PRO B 24 -21.471 15.964 2.980 1.00 0.00 H new ATOM 0 HB2 PRO B 24 -20.904 17.833 5.079 1.00 0.00 H new ATOM 0 HB3 PRO B 24 -21.059 18.177 3.368 1.00 0.00 H new ATOM 0 HG2 PRO B 24 -23.101 18.404 5.530 1.00 0.00 H new ATOM 0 HG3 PRO B 24 -22.949 19.331 4.051 1.00 0.00 H new ATOM 0 HD2 PRO B 24 -24.887 17.497 4.253 1.00 0.00 H new ATOM 0 HD3 PRO B 24 -24.025 17.666 2.736 1.00 0.00 H new ATOM 367 N HIS B 25 -20.069 14.802 4.682 1.00 0.00 N ATOM 368 CA HIS B 25 -19.360 13.889 5.581 1.00 0.00 C ATOM 369 C HIS B 25 -20.234 12.692 5.938 1.00 0.00 C ATOM 370 O HIS B 25 -20.499 12.416 7.109 1.00 0.00 O ATOM 371 CB HIS B 25 -18.888 14.615 6.848 1.00 0.00 C ATOM 372 CG HIS B 25 -17.803 15.612 6.593 1.00 0.00 C ATOM 373 ND1 HIS B 25 -17.997 16.975 6.662 1.00 0.00 N ATOM 374 CD2 HIS B 25 -16.503 15.436 6.255 1.00 0.00 C ATOM 375 CE1 HIS B 25 -16.866 17.593 6.376 1.00 0.00 C ATOM 376 NE2 HIS B 25 -15.946 16.683 6.127 1.00 0.00 N ATOM 0 H HIS B 25 -19.593 14.965 3.795 1.00 0.00 H new ATOM 0 HA HIS B 25 -18.478 13.523 5.056 1.00 0.00 H new ATOM 0 HB2 HIS B 25 -19.738 15.123 7.304 1.00 0.00 H new ATOM 0 HB3 HIS B 25 -18.532 13.878 7.568 1.00 0.00 H new ATOM 0 HD2 HIS B 25 -16.000 14.491 6.113 1.00 0.00 H new ATOM 0 HE1 HIS B 25 -16.720 18.663 6.350 1.00 0.00 H new ATOM 0 HE2 HIS B 25 -14.975 16.875 5.879 1.00 0.00 H new ATOM 385 N GLU B 26 -20.700 12.003 4.909 1.00 0.00 N ATOM 386 CA GLU B 26 -21.503 10.804 5.071 1.00 0.00 C ATOM 387 C GLU B 26 -20.844 9.651 4.321 1.00 0.00 C ATOM 388 O GLU B 26 -20.179 9.867 3.308 1.00 0.00 O ATOM 389 CB GLU B 26 -22.932 11.034 4.554 1.00 0.00 C ATOM 390 CG GLU B 26 -23.034 11.337 3.061 1.00 0.00 C ATOM 391 CD GLU B 26 -22.487 12.700 2.681 1.00 0.00 C ATOM 392 OE1 GLU B 26 -23.231 13.696 2.785 1.00 0.00 O ATOM 393 OE2 GLU B 26 -21.305 12.783 2.276 1.00 0.00 O ATOM 0 H GLU B 26 -20.531 12.261 3.937 1.00 0.00 H new ATOM 0 HA GLU B 26 -21.565 10.557 6.131 1.00 0.00 H new ATOM 0 HB2 GLU B 26 -23.529 10.148 4.772 1.00 0.00 H new ATOM 0 HB3 GLU B 26 -23.375 11.861 5.109 1.00 0.00 H new ATOM 0 HG2 GLU B 26 -22.495 10.570 2.505 1.00 0.00 H new ATOM 0 HG3 GLU B 26 -24.079 11.276 2.757 1.00 0.00 H new ATOM 400 N GLN B 27 -21.008 8.436 4.819 1.00 0.00 N ATOM 401 CA GLN B 27 -20.367 7.291 4.196 1.00 0.00 C ATOM 402 C GLN B 27 -21.317 6.568 3.259 1.00 0.00 C ATOM 403 O GLN B 27 -22.499 6.904 3.164 1.00 0.00 O ATOM 404 CB GLN B 27 -19.791 6.328 5.250 1.00 0.00 C ATOM 405 CG GLN B 27 -20.774 5.844 6.315 1.00 0.00 C ATOM 406 CD GLN B 27 -21.743 4.774 5.833 1.00 0.00 C ATOM 407 OE1 GLN B 27 -21.435 3.583 5.861 1.00 0.00 O ATOM 408 NE2 GLN B 27 -22.932 5.186 5.429 1.00 0.00 N ATOM 0 H GLN B 27 -21.571 8.219 5.641 1.00 0.00 H new ATOM 0 HA GLN B 27 -19.535 7.667 3.601 1.00 0.00 H new ATOM 0 HB2 GLN B 27 -19.384 5.457 4.736 1.00 0.00 H new ATOM 0 HB3 GLN B 27 -18.957 6.822 5.749 1.00 0.00 H new ATOM 0 HG2 GLN B 27 -20.210 5.452 7.162 1.00 0.00 H new ATOM 0 HG3 GLN B 27 -21.346 6.697 6.680 1.00 0.00 H new ATOM 0 HE21 GLN B 27 -23.151 6.182 5.420 1.00 0.00 H new ATOM 0 HE22 GLN B 27 -23.631 4.508 5.126 1.00 0.00 H new ATOM 417 N GLN B 28 -20.783 5.573 2.575 1.00 0.00 N ATOM 418 CA GLN B 28 -21.545 4.750 1.653 1.00 0.00 C ATOM 419 C GLN B 28 -21.033 3.323 1.718 1.00 0.00 C ATOM 420 O GLN B 28 -19.881 3.080 2.078 1.00 0.00 O ATOM 421 CB GLN B 28 -21.438 5.279 0.223 1.00 0.00 C ATOM 422 CG GLN B 28 -22.314 6.484 -0.061 1.00 0.00 C ATOM 423 CD GLN B 28 -22.172 6.973 -1.486 1.00 0.00 C ATOM 424 OE1 GLN B 28 -22.334 8.158 -1.770 1.00 0.00 O ATOM 425 NE2 GLN B 28 -21.871 6.065 -2.396 1.00 0.00 N ATOM 0 H GLN B 28 -19.800 5.311 2.644 1.00 0.00 H new ATOM 0 HA GLN B 28 -22.595 4.781 1.943 1.00 0.00 H new ATOM 0 HB2 GLN B 28 -20.400 5.543 0.022 1.00 0.00 H new ATOM 0 HB3 GLN B 28 -21.703 4.480 -0.469 1.00 0.00 H new ATOM 0 HG2 GLN B 28 -23.356 6.227 0.131 1.00 0.00 H new ATOM 0 HG3 GLN B 28 -22.053 7.290 0.625 1.00 0.00 H new ATOM 0 HE21 GLN B 28 -21.744 5.091 -2.122 1.00 0.00 H new ATOM 0 HE22 GLN B 28 -21.765 6.338 -3.373 1.00 0.00 H new ATOM 434 N GLU B 29 -21.893 2.386 1.359 1.00 0.00 N ATOM 435 CA GLU B 29 -21.589 0.969 1.497 1.00 0.00 C ATOM 436 C GLU B 29 -20.591 0.501 0.446 1.00 0.00 C ATOM 437 O GLU B 29 -19.933 -0.527 0.616 1.00 0.00 O ATOM 438 CB GLU B 29 -22.874 0.148 1.390 1.00 0.00 C ATOM 439 CG GLU B 29 -23.618 0.355 0.081 1.00 0.00 C ATOM 440 CD GLU B 29 -24.803 -0.570 -0.070 1.00 0.00 C ATOM 441 OE1 GLU B 29 -25.898 -0.233 0.429 1.00 0.00 O ATOM 442 OE2 GLU B 29 -24.645 -1.644 -0.688 1.00 0.00 O ATOM 0 H GLU B 29 -22.814 2.581 0.967 1.00 0.00 H new ATOM 0 HA GLU B 29 -21.137 0.821 2.478 1.00 0.00 H new ATOM 0 HB2 GLU B 29 -22.630 -0.909 1.497 1.00 0.00 H new ATOM 0 HB3 GLU B 29 -23.533 0.409 2.218 1.00 0.00 H new ATOM 0 HG2 GLU B 29 -23.959 1.388 0.022 1.00 0.00 H new ATOM 0 HG3 GLU B 29 -22.931 0.198 -0.751 1.00 0.00 H new ATOM 449 N ASP B 30 -20.484 1.260 -0.635 1.00 0.00 N ATOM 450 CA ASP B 30 -19.610 0.908 -1.747 1.00 0.00 C ATOM 451 C ASP B 30 -18.212 1.482 -1.556 1.00 0.00 C ATOM 452 O ASP B 30 -17.309 1.216 -2.352 1.00 0.00 O ATOM 453 CB ASP B 30 -20.209 1.419 -3.059 1.00 0.00 C ATOM 454 CG ASP B 30 -20.404 2.922 -3.064 1.00 0.00 C ATOM 455 OD1 ASP B 30 -21.349 3.404 -2.406 1.00 0.00 O ATOM 456 OD2 ASP B 30 -19.612 3.630 -3.723 1.00 0.00 O ATOM 0 H ASP B 30 -20.997 2.132 -0.767 1.00 0.00 H new ATOM 0 HA ASP B 30 -19.526 -0.178 -1.782 1.00 0.00 H new ATOM 0 HB2 ASP B 30 -19.557 1.138 -3.886 1.00 0.00 H new ATOM 0 HB3 ASP B 30 -21.169 0.931 -3.230 1.00 0.00 H new ATOM 461 N VAL B 31 -18.038 2.260 -0.496 1.00 0.00 N ATOM 462 CA VAL B 31 -16.759 2.888 -0.206 1.00 0.00 C ATOM 463 C VAL B 31 -15.815 1.888 0.441 1.00 0.00 C ATOM 464 O VAL B 31 -16.088 1.384 1.531 1.00 0.00 O ATOM 465 CB VAL B 31 -16.915 4.099 0.736 1.00 0.00 C ATOM 466 CG1 VAL B 31 -15.603 4.857 0.869 1.00 0.00 C ATOM 467 CG2 VAL B 31 -18.020 5.014 0.248 1.00 0.00 C ATOM 0 H VAL B 31 -18.772 2.471 0.180 1.00 0.00 H new ATOM 0 HA VAL B 31 -16.351 3.234 -1.156 1.00 0.00 H new ATOM 0 HB VAL B 31 -17.189 3.729 1.724 1.00 0.00 H new ATOM 0 HG11 VAL B 31 -15.740 5.706 1.538 1.00 0.00 H new ATOM 0 HG12 VAL B 31 -14.839 4.194 1.275 1.00 0.00 H new ATOM 0 HG13 VAL B 31 -15.289 5.215 -0.111 1.00 0.00 H new ATOM 0 HG21 VAL B 31 -18.115 5.863 0.925 1.00 0.00 H new ATOM 0 HG22 VAL B 31 -17.779 5.373 -0.753 1.00 0.00 H new ATOM 0 HG23 VAL B 31 -18.961 4.465 0.220 1.00 0.00 H new ATOM 477 N PRO B 32 -14.700 1.580 -0.229 1.00 0.00 N ATOM 478 CA PRO B 32 -13.708 0.654 0.301 1.00 0.00 C ATOM 479 C PRO B 32 -13.044 1.203 1.555 1.00 0.00 C ATOM 480 O PRO B 32 -12.557 2.334 1.570 1.00 0.00 O ATOM 481 CB PRO B 32 -12.683 0.518 -0.828 1.00 0.00 C ATOM 482 CG PRO B 32 -12.892 1.706 -1.703 1.00 0.00 C ATOM 483 CD PRO B 32 -14.332 2.111 -1.548 1.00 0.00 C ATOM 0 HA PRO B 32 -14.154 -0.297 0.591 1.00 0.00 H new ATOM 0 HB2 PRO B 32 -11.667 0.495 -0.434 1.00 0.00 H new ATOM 0 HB3 PRO B 32 -12.831 -0.409 -1.383 1.00 0.00 H new ATOM 0 HG2 PRO B 32 -12.228 2.521 -1.414 1.00 0.00 H new ATOM 0 HG3 PRO B 32 -12.668 1.465 -2.742 1.00 0.00 H new ATOM 0 HD2 PRO B 32 -14.451 3.194 -1.592 1.00 0.00 H new ATOM 0 HD3 PRO B 32 -14.954 1.690 -2.338 1.00 0.00 H new ATOM 491 N GLU B 33 -13.024 0.396 2.601 1.00 0.00 N ATOM 492 CA GLU B 33 -12.411 0.785 3.850 1.00 0.00 C ATOM 493 C GLU B 33 -11.126 0.004 4.043 1.00 0.00 C ATOM 494 O GLU B 33 -11.141 -1.178 4.384 1.00 0.00 O ATOM 495 CB GLU B 33 -13.366 0.559 5.025 1.00 0.00 C ATOM 496 CG GLU B 33 -12.748 0.903 6.371 1.00 0.00 C ATOM 497 CD GLU B 33 -13.766 0.996 7.485 1.00 0.00 C ATOM 498 OE1 GLU B 33 -14.226 -0.054 7.972 1.00 0.00 O ATOM 499 OE2 GLU B 33 -14.106 2.131 7.889 1.00 0.00 O ATOM 0 H GLU B 33 -13.430 -0.540 2.605 1.00 0.00 H new ATOM 0 HA GLU B 33 -12.182 1.850 3.815 1.00 0.00 H new ATOM 0 HB2 GLU B 33 -14.262 1.162 4.878 1.00 0.00 H new ATOM 0 HB3 GLU B 33 -13.682 -0.484 5.033 1.00 0.00 H new ATOM 0 HG2 GLU B 33 -12.006 0.147 6.627 1.00 0.00 H new ATOM 0 HG3 GLU B 33 -12.220 1.853 6.289 1.00 0.00 H new ATOM 506 N TYR B 34 -10.020 0.656 3.772 1.00 0.00 N ATOM 507 CA TYR B 34 -8.720 0.027 3.895 1.00 0.00 C ATOM 508 C TYR B 34 -8.231 0.038 5.336 1.00 0.00 C ATOM 509 O TYR B 34 -8.536 0.948 6.110 1.00 0.00 O ATOM 510 CB TYR B 34 -7.708 0.729 2.999 1.00 0.00 C ATOM 511 CG TYR B 34 -8.044 0.647 1.529 1.00 0.00 C ATOM 512 CD1 TYR B 34 -7.890 -0.543 0.830 1.00 0.00 C ATOM 513 CD2 TYR B 34 -8.522 1.755 0.843 1.00 0.00 C ATOM 514 CE1 TYR B 34 -8.202 -0.627 -0.511 1.00 0.00 C ATOM 515 CE2 TYR B 34 -8.837 1.679 -0.499 1.00 0.00 C ATOM 516 CZ TYR B 34 -8.677 0.487 -1.172 1.00 0.00 C ATOM 517 OH TYR B 34 -8.994 0.408 -2.509 1.00 0.00 O ATOM 0 H TYR B 34 -9.992 1.628 3.463 1.00 0.00 H new ATOM 0 HA TYR B 34 -8.822 -1.011 3.580 1.00 0.00 H new ATOM 0 HB2 TYR B 34 -7.643 1.777 3.290 1.00 0.00 H new ATOM 0 HB3 TYR B 34 -6.724 0.290 3.163 1.00 0.00 H new ATOM 0 HD1 TYR B 34 -7.520 -1.417 1.345 1.00 0.00 H new ATOM 0 HD2 TYR B 34 -8.649 2.691 1.367 1.00 0.00 H new ATOM 0 HE1 TYR B 34 -8.075 -1.560 -1.041 1.00 0.00 H new ATOM 0 HE2 TYR B 34 -9.207 2.550 -1.019 1.00 0.00 H new ATOM 0 HH TYR B 34 -8.297 -0.093 -2.981 1.00 0.00 H new ATOM 527 N GLU B 35 -7.475 -0.987 5.686 1.00 0.00 N ATOM 528 CA GLU B 35 -6.868 -1.087 6.995 1.00 0.00 C ATOM 529 C GLU B 35 -5.366 -1.259 6.826 1.00 0.00 C ATOM 530 O GLU B 35 -4.905 -2.251 6.260 1.00 0.00 O ATOM 531 CB GLU B 35 -7.466 -2.258 7.778 1.00 0.00 C ATOM 532 CG GLU B 35 -7.118 -2.242 9.259 1.00 0.00 C ATOM 533 CD GLU B 35 -7.779 -3.364 10.033 1.00 0.00 C ATOM 534 OE1 GLU B 35 -8.951 -3.203 10.442 1.00 0.00 O ATOM 535 OE2 GLU B 35 -7.133 -4.411 10.247 1.00 0.00 O ATOM 0 H GLU B 35 -7.266 -1.772 5.069 1.00 0.00 H new ATOM 0 HA GLU B 35 -7.067 -0.178 7.562 1.00 0.00 H new ATOM 0 HB2 GLU B 35 -8.550 -2.242 7.668 1.00 0.00 H new ATOM 0 HB3 GLU B 35 -7.115 -3.193 7.341 1.00 0.00 H new ATOM 0 HG2 GLU B 35 -6.037 -2.317 9.374 1.00 0.00 H new ATOM 0 HG3 GLU B 35 -7.419 -1.286 9.687 1.00 0.00 H new ATOM 542 N VAL B 36 -4.623 -0.275 7.291 1.00 0.00 N ATOM 543 CA VAL B 36 -3.183 -0.224 7.087 1.00 0.00 C ATOM 544 C VAL B 36 -2.412 -0.644 8.342 1.00 0.00 C ATOM 545 O VAL B 36 -2.737 -0.232 9.456 1.00 0.00 O ATOM 546 CB VAL B 36 -2.746 1.191 6.634 1.00 0.00 C ATOM 547 CG1 VAL B 36 -3.444 2.264 7.454 1.00 0.00 C ATOM 548 CG2 VAL B 36 -1.236 1.358 6.718 1.00 0.00 C ATOM 0 H VAL B 36 -4.997 0.513 7.821 1.00 0.00 H new ATOM 0 HA VAL B 36 -2.942 -0.938 6.299 1.00 0.00 H new ATOM 0 HB VAL B 36 -3.041 1.306 5.591 1.00 0.00 H new ATOM 0 HG11 VAL B 36 -3.120 3.248 7.116 1.00 0.00 H new ATOM 0 HG12 VAL B 36 -4.523 2.174 7.328 1.00 0.00 H new ATOM 0 HG13 VAL B 36 -3.190 2.140 8.507 1.00 0.00 H new ATOM 0 HG21 VAL B 36 -0.962 2.362 6.393 1.00 0.00 H new ATOM 0 HG22 VAL B 36 -0.910 1.208 7.747 1.00 0.00 H new ATOM 0 HG23 VAL B 36 -0.752 0.624 6.074 1.00 0.00 H new ATOM 558 N LYS B 37 -1.400 -1.484 8.144 1.00 0.00 N ATOM 559 CA LYS B 37 -0.543 -1.950 9.224 1.00 0.00 C ATOM 560 C LYS B 37 0.903 -1.669 8.854 1.00 0.00 C ATOM 561 O LYS B 37 1.261 -1.713 7.678 1.00 0.00 O ATOM 562 CB LYS B 37 -0.715 -3.458 9.478 1.00 0.00 C ATOM 563 CG LYS B 37 -2.137 -3.909 9.797 1.00 0.00 C ATOM 564 CD LYS B 37 -2.996 -4.009 8.544 1.00 0.00 C ATOM 565 CE LYS B 37 -4.380 -4.550 8.856 1.00 0.00 C ATOM 566 NZ LYS B 37 -4.331 -5.937 9.382 1.00 0.00 N ATOM 0 H LYS B 37 -1.153 -1.860 7.229 1.00 0.00 H new ATOM 0 HA LYS B 37 -0.822 -1.422 10.136 1.00 0.00 H new ATOM 0 HB2 LYS B 37 -0.369 -3.999 8.598 1.00 0.00 H new ATOM 0 HB3 LYS B 37 -0.066 -3.746 10.305 1.00 0.00 H new ATOM 0 HG2 LYS B 37 -2.107 -4.878 10.295 1.00 0.00 H new ATOM 0 HG3 LYS B 37 -2.593 -3.206 10.494 1.00 0.00 H new ATOM 0 HD2 LYS B 37 -3.085 -3.025 8.084 1.00 0.00 H new ATOM 0 HD3 LYS B 37 -2.507 -4.658 7.818 1.00 0.00 H new ATOM 0 HE2 LYS B 37 -4.866 -3.903 9.586 1.00 0.00 H new ATOM 0 HE3 LYS B 37 -4.990 -4.526 7.953 1.00 0.00 H new ATOM 0 HZ1 LYS B 37 -4.963 -6.543 8.821 1.00 0.00 H new ATOM 0 HZ2 LYS B 37 -3.358 -6.298 9.318 1.00 0.00 H new ATOM 0 HZ3 LYS B 37 -4.638 -5.942 10.376 1.00 0.00 H new ATOM 580 N MET B 38 1.731 -1.383 9.841 1.00 0.00 N ATOM 581 CA MET B 38 3.127 -1.067 9.583 1.00 0.00 C ATOM 582 C MET B 38 4.043 -2.033 10.328 1.00 0.00 C ATOM 583 O MET B 38 3.815 -2.335 11.499 1.00 0.00 O ATOM 584 CB MET B 38 3.412 0.373 9.986 1.00 0.00 C ATOM 585 CG MET B 38 4.206 1.125 8.942 1.00 0.00 C ATOM 586 SD MET B 38 3.799 2.874 8.868 1.00 0.00 S ATOM 587 CE MET B 38 4.536 3.278 7.291 1.00 0.00 C ATOM 0 H MET B 38 1.465 -1.362 10.825 1.00 0.00 H new ATOM 0 HA MET B 38 3.324 -1.176 8.517 1.00 0.00 H new ATOM 0 HB2 MET B 38 2.469 0.890 10.161 1.00 0.00 H new ATOM 0 HB3 MET B 38 3.960 0.381 10.928 1.00 0.00 H new ATOM 0 HG2 MET B 38 5.269 1.015 9.154 1.00 0.00 H new ATOM 0 HG3 MET B 38 4.028 0.675 7.965 1.00 0.00 H new ATOM 0 HE1 MET B 38 5.299 4.043 7.432 1.00 0.00 H new ATOM 0 HE2 MET B 38 4.992 2.385 6.863 1.00 0.00 H new ATOM 0 HE3 MET B 38 3.767 3.652 6.615 1.00 0.00 H new ATOM 597 N LYS B 39 5.076 -2.516 9.647 1.00 0.00 N ATOM 598 CA LYS B 39 5.947 -3.547 10.206 1.00 0.00 C ATOM 599 C LYS B 39 7.413 -3.222 9.911 1.00 0.00 C ATOM 600 O LYS B 39 7.766 -2.903 8.778 1.00 0.00 O ATOM 601 CB LYS B 39 5.564 -4.910 9.602 1.00 0.00 C ATOM 602 CG LYS B 39 5.879 -6.123 10.475 1.00 0.00 C ATOM 603 CD LYS B 39 7.372 -6.389 10.586 1.00 0.00 C ATOM 604 CE LYS B 39 7.660 -7.673 11.352 1.00 0.00 C ATOM 605 NZ LYS B 39 7.022 -7.680 12.695 1.00 0.00 N ATOM 0 H LYS B 39 5.332 -2.211 8.708 1.00 0.00 H new ATOM 0 HA LYS B 39 5.821 -3.583 11.288 1.00 0.00 H new ATOM 0 HB2 LYS B 39 4.496 -4.906 9.386 1.00 0.00 H new ATOM 0 HB3 LYS B 39 6.081 -5.025 8.649 1.00 0.00 H new ATOM 0 HG2 LYS B 39 5.466 -5.966 11.472 1.00 0.00 H new ATOM 0 HG3 LYS B 39 5.386 -7.003 10.061 1.00 0.00 H new ATOM 0 HD2 LYS B 39 7.805 -6.456 9.588 1.00 0.00 H new ATOM 0 HD3 LYS B 39 7.855 -5.550 11.087 1.00 0.00 H new ATOM 0 HE2 LYS B 39 7.301 -8.526 10.776 1.00 0.00 H new ATOM 0 HE3 LYS B 39 8.738 -7.794 11.463 1.00 0.00 H new ATOM 0 HZ1 LYS B 39 7.366 -8.497 13.238 1.00 0.00 H new ATOM 0 HZ2 LYS B 39 7.264 -6.803 13.199 1.00 0.00 H new ATOM 0 HZ3 LYS B 39 5.989 -7.745 12.589 1.00 0.00 H new ATOM 619 N ARG B 40 8.259 -3.302 10.935 1.00 0.00 N ATOM 620 CA ARG B 40 9.684 -3.006 10.787 1.00 0.00 C ATOM 621 C ARG B 40 10.486 -4.278 10.545 1.00 0.00 C ATOM 622 O ARG B 40 10.257 -5.301 11.190 1.00 0.00 O ATOM 623 CB ARG B 40 10.236 -2.293 12.030 1.00 0.00 C ATOM 624 CG ARG B 40 9.916 -0.805 12.109 1.00 0.00 C ATOM 625 CD ARG B 40 8.427 -0.546 12.257 1.00 0.00 C ATOM 626 NE ARG B 40 7.871 -1.170 13.459 1.00 0.00 N ATOM 627 CZ ARG B 40 6.574 -1.162 13.769 1.00 0.00 C ATOM 628 NH1 ARG B 40 5.712 -0.495 13.013 1.00 0.00 N ATOM 629 NH2 ARG B 40 6.144 -1.802 14.848 1.00 0.00 N ATOM 0 H ARG B 40 7.983 -3.570 11.880 1.00 0.00 H new ATOM 0 HA ARG B 40 9.785 -2.348 9.924 1.00 0.00 H new ATOM 0 HB2 ARG B 40 9.839 -2.783 12.919 1.00 0.00 H new ATOM 0 HB3 ARG B 40 11.318 -2.419 12.053 1.00 0.00 H new ATOM 0 HG2 ARG B 40 10.445 -0.366 12.954 1.00 0.00 H new ATOM 0 HG3 ARG B 40 10.282 -0.308 11.211 1.00 0.00 H new ATOM 0 HD2 ARG B 40 8.249 0.529 12.293 1.00 0.00 H new ATOM 0 HD3 ARG B 40 7.905 -0.926 11.379 1.00 0.00 H new ATOM 0 HE ARG B 40 8.514 -1.639 14.097 1.00 0.00 H new ATOM 0 HH11 ARG B 40 6.041 0.014 12.192 1.00 0.00 H new ATOM 0 HH12 ARG B 40 4.721 -0.491 13.253 1.00 0.00 H new ATOM 0 HH21 ARG B 40 6.806 -2.301 15.442 1.00 0.00 H new ATOM 0 HH22 ARG B 40 5.152 -1.795 15.084 1.00 0.00 H new ATOM 643 N PHE B 41 11.425 -4.204 9.615 1.00 0.00 N ATOM 644 CA PHE B 41 12.329 -5.315 9.335 1.00 0.00 C ATOM 645 C PHE B 41 13.774 -4.906 9.572 1.00 0.00 C ATOM 646 O PHE B 41 14.099 -3.715 9.607 1.00 0.00 O ATOM 647 CB PHE B 41 12.179 -5.812 7.895 1.00 0.00 C ATOM 648 CG PHE B 41 10.969 -6.671 7.662 1.00 0.00 C ATOM 649 CD1 PHE B 41 9.707 -6.113 7.569 1.00 0.00 C ATOM 650 CD2 PHE B 41 11.101 -8.044 7.539 1.00 0.00 C ATOM 651 CE1 PHE B 41 8.599 -6.908 7.357 1.00 0.00 C ATOM 652 CE2 PHE B 41 9.996 -8.845 7.327 1.00 0.00 C ATOM 653 CZ PHE B 41 8.744 -8.275 7.236 1.00 0.00 C ATOM 0 H PHE B 41 11.584 -3.380 9.035 1.00 0.00 H new ATOM 0 HA PHE B 41 12.062 -6.124 10.015 1.00 0.00 H new ATOM 0 HB2 PHE B 41 12.133 -4.951 7.228 1.00 0.00 H new ATOM 0 HB3 PHE B 41 13.070 -6.378 7.623 1.00 0.00 H new ATOM 0 HD1 PHE B 41 9.587 -5.044 7.663 1.00 0.00 H new ATOM 0 HD2 PHE B 41 12.080 -8.494 7.610 1.00 0.00 H new ATOM 0 HE1 PHE B 41 7.619 -6.460 7.286 1.00 0.00 H new ATOM 0 HE2 PHE B 41 10.112 -9.915 7.233 1.00 0.00 H new ATOM 0 HZ PHE B 41 7.877 -8.898 7.070 1.00 0.00 H new ATOM 663 N LYS B 42 14.635 -5.894 9.744 1.00 0.00 N ATOM 664 CA LYS B 42 16.053 -5.651 9.934 1.00 0.00 C ATOM 665 C LYS B 42 16.852 -6.742 9.228 1.00 0.00 C ATOM 666 O LYS B 42 16.671 -7.925 9.509 1.00 0.00 O ATOM 667 CB LYS B 42 16.395 -5.635 11.427 1.00 0.00 C ATOM 668 CG LYS B 42 17.717 -4.956 11.748 1.00 0.00 C ATOM 669 CD LYS B 42 17.604 -3.443 11.624 1.00 0.00 C ATOM 670 CE LYS B 42 18.950 -2.757 11.794 1.00 0.00 C ATOM 671 NZ LYS B 42 19.909 -3.137 10.723 1.00 0.00 N ATOM 0 H LYS B 42 14.373 -6.880 9.756 1.00 0.00 H new ATOM 0 HA LYS B 42 16.309 -4.680 9.510 1.00 0.00 H new ATOM 0 HB2 LYS B 42 15.596 -5.127 11.967 1.00 0.00 H new ATOM 0 HB3 LYS B 42 16.426 -6.661 11.794 1.00 0.00 H new ATOM 0 HG2 LYS B 42 18.027 -5.218 12.759 1.00 0.00 H new ATOM 0 HG3 LYS B 42 18.490 -5.322 11.072 1.00 0.00 H new ATOM 0 HD2 LYS B 42 17.188 -3.189 10.649 1.00 0.00 H new ATOM 0 HD3 LYS B 42 16.908 -3.068 12.375 1.00 0.00 H new ATOM 0 HE2 LYS B 42 18.809 -1.676 11.788 1.00 0.00 H new ATOM 0 HE3 LYS B 42 19.370 -3.018 12.766 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 20.701 -2.463 10.711 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 20.272 -4.094 10.906 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 19.426 -3.120 9.802 1.00 0.00 H new ATOM 685 N GLY B 43 17.709 -6.348 8.298 1.00 0.00 N ATOM 686 CA GLY B 43 18.516 -7.319 7.581 1.00 0.00 C ATOM 687 C GLY B 43 17.727 -8.054 6.517 1.00 0.00 C ATOM 688 O GLY B 43 18.016 -9.209 6.201 1.00 0.00 O ATOM 0 H GLY B 43 17.861 -5.377 8.026 1.00 0.00 H new ATOM 0 HA2 GLY B 43 19.362 -6.812 7.117 1.00 0.00 H new ATOM 0 HA3 GLY B 43 18.926 -8.040 8.288 1.00 0.00 H new ATOM 692 N ALA B 44 16.726 -7.389 5.966 1.00 0.00 N ATOM 693 CA ALA B 44 15.901 -7.976 4.925 1.00 0.00 C ATOM 694 C ALA B 44 15.987 -7.142 3.656 1.00 0.00 C ATOM 695 O ALA B 44 16.566 -6.053 3.662 1.00 0.00 O ATOM 696 CB ALA B 44 14.459 -8.099 5.396 1.00 0.00 C ATOM 0 H ALA B 44 16.464 -6.438 6.224 1.00 0.00 H new ATOM 0 HA ALA B 44 16.272 -8.977 4.705 1.00 0.00 H new ATOM 0 HB1 ALA B 44 13.854 -8.541 4.604 1.00 0.00 H new ATOM 0 HB2 ALA B 44 14.418 -8.734 6.281 1.00 0.00 H new ATOM 0 HB3 ALA B 44 14.071 -7.110 5.641 1.00 0.00 H new ATOM 702 N ALA B 45 15.418 -7.652 2.570 1.00 0.00 N ATOM 703 CA ALA B 45 15.390 -6.928 1.301 1.00 0.00 C ATOM 704 C ALA B 45 14.541 -5.665 1.425 1.00 0.00 C ATOM 705 O ALA B 45 14.573 -4.790 0.563 1.00 0.00 O ATOM 706 CB ALA B 45 14.855 -7.825 0.197 1.00 0.00 C ATOM 0 H ALA B 45 14.968 -8.567 2.541 1.00 0.00 H new ATOM 0 HA ALA B 45 16.407 -6.632 1.046 1.00 0.00 H new ATOM 0 HB1 ALA B 45 14.839 -7.274 -0.744 1.00 0.00 H new ATOM 0 HB2 ALA B 45 15.498 -8.699 0.095 1.00 0.00 H new ATOM 0 HB3 ALA B 45 13.844 -8.146 0.447 1.00 0.00 H new ATOM 712 N TYR B 46 13.794 -5.589 2.513 1.00 0.00 N ATOM 713 CA TYR B 46 12.960 -4.447 2.823 1.00 0.00 C ATOM 714 C TYR B 46 13.095 -4.127 4.304 1.00 0.00 C ATOM 715 O TYR B 46 13.299 -5.024 5.119 1.00 0.00 O ATOM 716 CB TYR B 46 11.502 -4.749 2.457 1.00 0.00 C ATOM 717 CG TYR B 46 11.173 -6.221 2.520 1.00 0.00 C ATOM 718 CD1 TYR B 46 10.939 -6.853 3.733 1.00 0.00 C ATOM 719 CD2 TYR B 46 11.128 -6.987 1.360 1.00 0.00 C ATOM 720 CE1 TYR B 46 10.671 -8.205 3.791 1.00 0.00 C ATOM 721 CE2 TYR B 46 10.854 -8.338 1.410 1.00 0.00 C ATOM 722 CZ TYR B 46 10.629 -8.941 2.629 1.00 0.00 C ATOM 723 OH TYR B 46 10.369 -10.286 2.685 1.00 0.00 O ATOM 0 H TYR B 46 13.751 -6.330 3.213 1.00 0.00 H new ATOM 0 HA TYR B 46 13.279 -3.582 2.242 1.00 0.00 H new ATOM 0 HB2 TYR B 46 10.843 -4.205 3.134 1.00 0.00 H new ATOM 0 HB3 TYR B 46 11.301 -4.380 1.451 1.00 0.00 H new ATOM 0 HD1 TYR B 46 10.967 -6.277 4.646 1.00 0.00 H new ATOM 0 HD2 TYR B 46 11.310 -6.517 0.405 1.00 0.00 H new ATOM 0 HE1 TYR B 46 10.495 -8.683 4.743 1.00 0.00 H new ATOM 0 HE2 TYR B 46 10.816 -8.919 0.501 1.00 0.00 H new ATOM 0 HH TYR B 46 10.927 -10.755 2.029 1.00 0.00 H new ATOM 733 N LYS B 47 13.015 -2.854 4.642 1.00 0.00 N ATOM 734 CA LYS B 47 13.166 -2.415 6.023 1.00 0.00 C ATOM 735 C LYS B 47 11.801 -2.152 6.625 1.00 0.00 C ATOM 736 O LYS B 47 11.633 -2.138 7.843 1.00 0.00 O ATOM 737 CB LYS B 47 14.011 -1.136 6.122 1.00 0.00 C ATOM 738 CG LYS B 47 15.455 -1.276 5.645 1.00 0.00 C ATOM 739 CD LYS B 47 15.553 -1.400 4.132 1.00 0.00 C ATOM 740 CE LYS B 47 15.047 -0.151 3.426 1.00 0.00 C ATOM 741 NZ LYS B 47 14.867 -0.381 1.975 1.00 0.00 N ATOM 0 H LYS B 47 12.845 -2.099 3.977 1.00 0.00 H new ATOM 0 HA LYS B 47 13.677 -3.208 6.569 1.00 0.00 H new ATOM 0 HB2 LYS B 47 13.526 -0.353 5.539 1.00 0.00 H new ATOM 0 HB3 LYS B 47 14.018 -0.803 7.160 1.00 0.00 H new ATOM 0 HG2 LYS B 47 16.030 -0.410 5.975 1.00 0.00 H new ATOM 0 HG3 LYS B 47 15.905 -2.153 6.109 1.00 0.00 H new ATOM 0 HD2 LYS B 47 16.590 -1.582 3.849 1.00 0.00 H new ATOM 0 HD3 LYS B 47 14.976 -2.263 3.800 1.00 0.00 H new ATOM 0 HE2 LYS B 47 14.099 0.158 3.866 1.00 0.00 H new ATOM 0 HE3 LYS B 47 15.752 0.666 3.581 1.00 0.00 H new ATOM 0 HZ1 LYS B 47 14.458 0.469 1.537 1.00 0.00 H new ATOM 0 HZ2 LYS B 47 15.789 -0.585 1.539 1.00 0.00 H new ATOM 0 HZ3 LYS B 47 14.228 -1.188 1.828 1.00 0.00 H new ATOM 755 N LEU B 48 10.832 -1.924 5.760 1.00 0.00 N ATOM 756 CA LEU B 48 9.481 -1.634 6.195 1.00 0.00 C ATOM 757 C LEU B 48 8.472 -2.397 5.339 1.00 0.00 C ATOM 758 O LEU B 48 8.617 -2.485 4.119 1.00 0.00 O ATOM 759 CB LEU B 48 9.223 -0.123 6.107 1.00 0.00 C ATOM 760 CG LEU B 48 8.444 0.495 7.277 1.00 0.00 C ATOM 761 CD1 LEU B 48 7.062 -0.114 7.397 1.00 0.00 C ATOM 762 CD2 LEU B 48 9.202 0.326 8.582 1.00 0.00 C ATOM 0 H LEU B 48 10.957 -1.934 4.748 1.00 0.00 H new ATOM 0 HA LEU B 48 9.364 -1.955 7.230 1.00 0.00 H new ATOM 0 HB2 LEU B 48 10.184 0.386 6.027 1.00 0.00 H new ATOM 0 HB3 LEU B 48 8.677 0.079 5.185 1.00 0.00 H new ATOM 0 HG LEU B 48 8.334 1.560 7.072 1.00 0.00 H new ATOM 0 HD11 LEU B 48 6.534 0.343 8.234 1.00 0.00 H new ATOM 0 HD12 LEU B 48 6.505 0.063 6.477 1.00 0.00 H new ATOM 0 HD13 LEU B 48 7.151 -1.187 7.567 1.00 0.00 H new ATOM 0 HD21 LEU B 48 8.630 0.772 9.396 1.00 0.00 H new ATOM 0 HD22 LEU B 48 9.350 -0.735 8.782 1.00 0.00 H new ATOM 0 HD23 LEU B 48 10.171 0.820 8.507 1.00 0.00 H new ATOM 774 N ARG B 49 7.468 -2.965 5.990 1.00 0.00 N ATOM 775 CA ARG B 49 6.379 -3.628 5.292 1.00 0.00 C ATOM 776 C ARG B 49 5.054 -3.019 5.724 1.00 0.00 C ATOM 777 O ARG B 49 4.726 -3.004 6.908 1.00 0.00 O ATOM 778 CB ARG B 49 6.376 -5.130 5.580 1.00 0.00 C ATOM 779 CG ARG B 49 5.326 -5.897 4.790 1.00 0.00 C ATOM 780 CD ARG B 49 5.327 -7.379 5.137 1.00 0.00 C ATOM 781 NE ARG B 49 4.897 -7.636 6.512 1.00 0.00 N ATOM 782 CZ ARG B 49 5.106 -8.790 7.150 1.00 0.00 C ATOM 783 NH1 ARG B 49 5.696 -9.798 6.525 1.00 0.00 N ATOM 784 NH2 ARG B 49 4.697 -8.942 8.401 1.00 0.00 N ATOM 0 H ARG B 49 7.386 -2.979 7.007 1.00 0.00 H new ATOM 0 HA ARG B 49 6.518 -3.487 4.220 1.00 0.00 H new ATOM 0 HB2 ARG B 49 7.361 -5.538 5.352 1.00 0.00 H new ATOM 0 HB3 ARG B 49 6.205 -5.287 6.645 1.00 0.00 H new ATOM 0 HG2 ARG B 49 4.341 -5.477 4.992 1.00 0.00 H new ATOM 0 HG3 ARG B 49 5.512 -5.774 3.723 1.00 0.00 H new ATOM 0 HD2 ARG B 49 4.669 -7.910 4.449 1.00 0.00 H new ATOM 0 HD3 ARG B 49 6.330 -7.781 4.993 1.00 0.00 H new ATOM 0 HE ARG B 49 4.410 -6.891 7.011 1.00 0.00 H new ATOM 0 HH11 ARG B 49 5.992 -9.693 5.554 1.00 0.00 H new ATOM 0 HH12 ARG B 49 5.855 -10.679 7.014 1.00 0.00 H new ATOM 0 HH21 ARG B 49 4.221 -8.176 8.879 1.00 0.00 H new ATOM 0 HH22 ARG B 49 4.858 -9.825 8.886 1.00 0.00 H new ATOM 798 N ILE B 50 4.310 -2.498 4.767 1.00 0.00 N ATOM 799 CA ILE B 50 3.032 -1.870 5.055 1.00 0.00 C ATOM 800 C ILE B 50 1.918 -2.698 4.431 1.00 0.00 C ATOM 801 O ILE B 50 1.989 -3.067 3.259 1.00 0.00 O ATOM 802 CB ILE B 50 2.947 -0.407 4.533 1.00 0.00 C ATOM 803 CG1 ILE B 50 4.133 0.456 5.001 1.00 0.00 C ATOM 804 CG2 ILE B 50 1.656 0.240 5.002 1.00 0.00 C ATOM 805 CD1 ILE B 50 5.461 0.134 4.349 1.00 0.00 C ATOM 0 H ILE B 50 4.568 -2.497 3.780 1.00 0.00 H new ATOM 0 HA ILE B 50 2.925 -1.829 6.139 1.00 0.00 H new ATOM 0 HB ILE B 50 2.976 -0.460 3.445 1.00 0.00 H new ATOM 0 HG12 ILE B 50 3.897 1.503 4.811 1.00 0.00 H new ATOM 0 HG13 ILE B 50 4.240 0.344 6.080 1.00 0.00 H new ATOM 0 HG21 ILE B 50 1.606 1.264 4.631 1.00 0.00 H new ATOM 0 HG22 ILE B 50 0.806 -0.326 4.620 1.00 0.00 H new ATOM 0 HG23 ILE B 50 1.627 0.247 6.092 1.00 0.00 H new ATOM 0 HD11 ILE B 50 6.231 0.796 4.746 1.00 0.00 H new ATOM 0 HD12 ILE B 50 5.728 -0.901 4.560 1.00 0.00 H new ATOM 0 HD13 ILE B 50 5.381 0.275 3.271 1.00 0.00 H new ATOM 817 N LEU B 51 0.910 -3.011 5.226 1.00 0.00 N ATOM 818 CA LEU B 51 -0.195 -3.845 4.777 1.00 0.00 C ATOM 819 C LEU B 51 -1.468 -3.029 4.705 1.00 0.00 C ATOM 820 O LEU B 51 -1.955 -2.545 5.719 1.00 0.00 O ATOM 821 CB LEU B 51 -0.403 -5.034 5.725 1.00 0.00 C ATOM 822 CG LEU B 51 0.405 -6.297 5.408 1.00 0.00 C ATOM 823 CD1 LEU B 51 -0.044 -6.894 4.088 1.00 0.00 C ATOM 824 CD2 LEU B 51 1.892 -6.002 5.373 1.00 0.00 C ATOM 0 H LEU B 51 0.833 -2.698 6.194 1.00 0.00 H new ATOM 0 HA LEU B 51 0.050 -4.226 3.786 1.00 0.00 H new ATOM 0 HB2 LEU B 51 -0.156 -4.713 6.737 1.00 0.00 H new ATOM 0 HB3 LEU B 51 -1.462 -5.294 5.722 1.00 0.00 H new ATOM 0 HG LEU B 51 0.223 -7.021 6.203 1.00 0.00 H new ATOM 0 HD11 LEU B 51 0.539 -7.790 3.877 1.00 0.00 H new ATOM 0 HD12 LEU B 51 -1.101 -7.154 4.147 1.00 0.00 H new ATOM 0 HD13 LEU B 51 0.106 -6.167 3.290 1.00 0.00 H new ATOM 0 HD21 LEU B 51 2.439 -6.917 5.146 1.00 0.00 H new ATOM 0 HD22 LEU B 51 2.097 -5.256 4.605 1.00 0.00 H new ATOM 0 HD23 LEU B 51 2.210 -5.620 6.343 1.00 0.00 H new ATOM 836 N ILE B 52 -1.991 -2.863 3.508 1.00 0.00 N ATOM 837 CA ILE B 52 -3.235 -2.134 3.327 1.00 0.00 C ATOM 838 C ILE B 52 -4.273 -3.042 2.690 1.00 0.00 C ATOM 839 O ILE B 52 -4.222 -3.313 1.492 1.00 0.00 O ATOM 840 CB ILE B 52 -3.059 -0.876 2.443 1.00 0.00 C ATOM 841 CG1 ILE B 52 -1.917 0.008 2.955 1.00 0.00 C ATOM 842 CG2 ILE B 52 -4.354 -0.083 2.394 1.00 0.00 C ATOM 843 CD1 ILE B 52 -0.565 -0.353 2.382 1.00 0.00 C ATOM 0 H ILE B 52 -1.578 -3.221 2.647 1.00 0.00 H new ATOM 0 HA ILE B 52 -3.562 -1.807 4.314 1.00 0.00 H new ATOM 0 HB ILE B 52 -2.804 -1.206 1.436 1.00 0.00 H new ATOM 0 HG12 ILE B 52 -2.138 1.048 2.714 1.00 0.00 H new ATOM 0 HG13 ILE B 52 -1.872 -0.065 4.042 1.00 0.00 H new ATOM 0 HG21 ILE B 52 -4.217 0.799 1.769 1.00 0.00 H new ATOM 0 HG22 ILE B 52 -5.146 -0.705 1.976 1.00 0.00 H new ATOM 0 HG23 ILE B 52 -4.630 0.226 3.402 1.00 0.00 H new ATOM 0 HD11 ILE B 52 0.193 0.315 2.790 1.00 0.00 H new ATOM 0 HD12 ILE B 52 -0.321 -1.382 2.645 1.00 0.00 H new ATOM 0 HD13 ILE B 52 -0.591 -0.253 1.297 1.00 0.00 H new ATOM 855 N GLU B 53 -5.209 -3.524 3.485 1.00 0.00 N ATOM 856 CA GLU B 53 -6.214 -4.436 2.974 1.00 0.00 C ATOM 857 C GLU B 53 -7.571 -3.754 2.917 1.00 0.00 C ATOM 858 O GLU B 53 -7.842 -2.818 3.668 1.00 0.00 O ATOM 859 CB GLU B 53 -6.284 -5.701 3.830 1.00 0.00 C ATOM 860 CG GLU B 53 -6.899 -5.479 5.200 1.00 0.00 C ATOM 861 CD GLU B 53 -6.832 -6.709 6.080 1.00 0.00 C ATOM 862 OE1 GLU B 53 -7.706 -7.594 5.949 1.00 0.00 O ATOM 863 OE2 GLU B 53 -5.905 -6.802 6.910 1.00 0.00 O ATOM 0 H GLU B 53 -5.295 -3.302 4.477 1.00 0.00 H new ATOM 0 HA GLU B 53 -5.930 -4.726 1.962 1.00 0.00 H new ATOM 0 HB2 GLU B 53 -6.864 -6.456 3.299 1.00 0.00 H new ATOM 0 HB3 GLU B 53 -5.278 -6.101 3.954 1.00 0.00 H new ATOM 0 HG2 GLU B 53 -6.384 -4.655 5.695 1.00 0.00 H new ATOM 0 HG3 GLU B 53 -7.940 -5.179 5.081 1.00 0.00 H new ATOM 870 N ASN B 54 -8.405 -4.225 2.015 1.00 0.00 N ATOM 871 CA ASN B 54 -9.731 -3.661 1.814 1.00 0.00 C ATOM 872 C ASN B 54 -10.755 -4.442 2.619 1.00 0.00 C ATOM 873 O ASN B 54 -10.995 -5.618 2.352 1.00 0.00 O ATOM 874 CB ASN B 54 -10.102 -3.720 0.330 1.00 0.00 C ATOM 875 CG ASN B 54 -11.283 -2.837 -0.055 1.00 0.00 C ATOM 876 OD1 ASN B 54 -12.203 -2.602 0.869 1.00 0.00 O flip ATOM 877 ND2 ASN B 54 -11.370 -2.375 -1.191 1.00 0.00 N flip ATOM 0 H ASN B 54 -8.188 -5.008 1.399 1.00 0.00 H new ATOM 0 HA ASN B 54 -9.725 -2.623 2.146 1.00 0.00 H new ATOM 0 HB2 ASN B 54 -9.235 -3.426 -0.262 1.00 0.00 H new ATOM 0 HB3 ASN B 54 -10.333 -4.752 0.066 1.00 0.00 H new ATOM 0 HD21 ASN B 54 -10.645 -2.575 -1.880 1.00 0.00 H new ATOM 0 HD22 ASN B 54 -12.168 -1.792 -1.445 1.00 0.00 H new ATOM 884 N LYS B 55 -11.353 -3.793 3.601 1.00 0.00 N ATOM 885 CA LYS B 55 -12.400 -4.416 4.392 1.00 0.00 C ATOM 886 C LYS B 55 -13.544 -3.440 4.645 1.00 0.00 C ATOM 887 O LYS B 55 -13.532 -2.679 5.610 1.00 0.00 O ATOM 888 CB LYS B 55 -11.828 -4.926 5.718 1.00 0.00 C ATOM 889 CG LYS B 55 -10.870 -3.949 6.384 1.00 0.00 C ATOM 890 CD LYS B 55 -10.478 -4.406 7.777 1.00 0.00 C ATOM 891 CE LYS B 55 -11.644 -4.307 8.747 1.00 0.00 C ATOM 892 NZ LYS B 55 -11.231 -4.611 10.140 1.00 0.00 N ATOM 0 H LYS B 55 -11.132 -2.834 3.871 1.00 0.00 H new ATOM 0 HA LYS B 55 -12.796 -5.263 3.831 1.00 0.00 H new ATOM 0 HB2 LYS B 55 -12.650 -5.138 6.401 1.00 0.00 H new ATOM 0 HB3 LYS B 55 -11.309 -5.868 5.542 1.00 0.00 H new ATOM 0 HG2 LYS B 55 -9.975 -3.842 5.771 1.00 0.00 H new ATOM 0 HG3 LYS B 55 -11.336 -2.965 6.442 1.00 0.00 H new ATOM 0 HD2 LYS B 55 -10.124 -5.436 7.736 1.00 0.00 H new ATOM 0 HD3 LYS B 55 -9.649 -3.798 8.140 1.00 0.00 H new ATOM 0 HE2 LYS B 55 -12.068 -3.304 8.705 1.00 0.00 H new ATOM 0 HE3 LYS B 55 -12.430 -4.998 8.442 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 -12.061 -4.566 10.766 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 -10.819 -5.565 10.180 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 -10.524 -3.915 10.452 1.00 0.00 H new ATOM 906 N ALA B 56 -14.533 -3.469 3.769 1.00 0.00 N ATOM 907 CA ALA B 56 -15.739 -2.680 3.953 1.00 0.00 C ATOM 908 C ALA B 56 -16.955 -3.538 3.617 1.00 0.00 C ATOM 909 O ALA B 56 -16.787 -4.621 3.056 1.00 0.00 O ATOM 910 CB ALA B 56 -15.681 -1.431 3.083 1.00 0.00 C ATOM 0 H ALA B 56 -14.524 -4.033 2.919 1.00 0.00 H new ATOM 0 HA ALA B 56 -15.819 -2.357 4.991 1.00 0.00 H new ATOM 0 HB1 ALA B 56 -16.589 -0.845 3.227 1.00 0.00 H new ATOM 0 HB2 ALA B 56 -14.814 -0.832 3.363 1.00 0.00 H new ATOM 0 HB3 ALA B 56 -15.598 -1.721 2.035 1.00 0.00 H new ATOM 916 N PRO B 57 -18.182 -3.094 3.962 1.00 0.00 N ATOM 917 CA PRO B 57 -19.418 -3.844 3.699 1.00 0.00 C ATOM 918 C PRO B 57 -19.462 -4.414 2.293 1.00 0.00 C ATOM 919 O PRO B 57 -19.824 -5.575 2.081 1.00 0.00 O ATOM 920 CB PRO B 57 -20.525 -2.791 3.877 1.00 0.00 C ATOM 921 CG PRO B 57 -19.819 -1.488 4.073 1.00 0.00 C ATOM 922 CD PRO B 57 -18.486 -1.839 4.650 1.00 0.00 C ATOM 0 HA PRO B 57 -19.515 -4.704 4.362 1.00 0.00 H new ATOM 0 HB2 PRO B 57 -21.176 -2.756 3.003 1.00 0.00 H new ATOM 0 HB3 PRO B 57 -21.155 -3.027 4.734 1.00 0.00 H new ATOM 0 HG2 PRO B 57 -19.710 -0.955 3.129 1.00 0.00 H new ATOM 0 HG3 PRO B 57 -20.378 -0.836 4.744 1.00 0.00 H new ATOM 0 HD2 PRO B 57 -17.739 -1.071 4.449 1.00 0.00 H new ATOM 0 HD3 PRO B 57 -18.530 -1.966 5.732 1.00 0.00 H new ATOM 930 N ASN B 58 -19.062 -3.597 1.342 1.00 0.00 N ATOM 931 CA ASN B 58 -19.105 -3.985 -0.063 1.00 0.00 C ATOM 932 C ASN B 58 -17.777 -3.727 -0.741 1.00 0.00 C ATOM 933 O ASN B 58 -17.070 -4.664 -1.113 1.00 0.00 O ATOM 934 CB ASN B 58 -20.226 -3.237 -0.787 1.00 0.00 C ATOM 935 CG ASN B 58 -21.594 -3.616 -0.262 1.00 0.00 C ATOM 936 OD1 ASN B 58 -22.017 -2.957 0.804 1.00 0.00 O flip ATOM 937 ND2 ASN B 58 -22.253 -4.506 -0.795 1.00 0.00 N flip ATOM 0 H ASN B 58 -18.702 -2.658 1.510 1.00 0.00 H new ATOM 0 HA ASN B 58 -19.307 -5.055 -0.112 1.00 0.00 H new ATOM 0 HB2 ASN B 58 -20.078 -2.163 -0.671 1.00 0.00 H new ATOM 0 HB3 ASN B 58 -20.175 -3.453 -1.854 1.00 0.00 H new ATOM 0 HD21 ASN B 58 -21.888 -4.989 -1.616 1.00 0.00 H new ATOM 0 HD22 ASN B 58 -23.165 -4.762 -0.416 1.00 0.00 H new ATOM 944 N SER B 59 -17.447 -2.453 -0.869 1.00 0.00 N ATOM 945 CA SER B 59 -16.227 -2.009 -1.526 1.00 0.00 C ATOM 946 C SER B 59 -16.257 -2.293 -3.019 1.00 0.00 C ATOM 947 O SER B 59 -16.388 -3.438 -3.453 1.00 0.00 O ATOM 948 CB SER B 59 -15.001 -2.665 -0.895 1.00 0.00 C ATOM 949 OG SER B 59 -14.995 -2.505 0.504 1.00 0.00 O ATOM 0 H SER B 59 -18.024 -1.689 -0.516 1.00 0.00 H new ATOM 0 HA SER B 59 -16.162 -0.930 -1.388 1.00 0.00 H new ATOM 0 HB2 SER B 59 -14.987 -3.727 -1.141 1.00 0.00 H new ATOM 0 HB3 SER B 59 -14.096 -2.228 -1.316 1.00 0.00 H new ATOM 0 HG SER B 59 -14.070 -2.499 0.829 1.00 0.00 H new ATOM 955 N LYS B 60 -16.136 -1.240 -3.802 1.00 0.00 N ATOM 956 CA LYS B 60 -16.064 -1.368 -5.240 1.00 0.00 C ATOM 957 C LYS B 60 -14.723 -0.810 -5.736 1.00 0.00 C ATOM 958 O LYS B 60 -14.618 0.344 -6.154 1.00 0.00 O ATOM 959 CB LYS B 60 -17.276 -0.683 -5.895 1.00 0.00 C ATOM 960 CG LYS B 60 -17.296 0.837 -5.806 1.00 0.00 C ATOM 961 CD LYS B 60 -18.486 1.420 -6.550 1.00 0.00 C ATOM 962 CE LYS B 60 -18.253 2.875 -6.933 1.00 0.00 C ATOM 963 NZ LYS B 60 -17.871 3.712 -5.766 1.00 0.00 N ATOM 0 H LYS B 60 -16.085 -0.280 -3.461 1.00 0.00 H new ATOM 0 HA LYS B 60 -16.106 -2.418 -5.528 1.00 0.00 H new ATOM 0 HB2 LYS B 60 -17.309 -0.969 -6.946 1.00 0.00 H new ATOM 0 HB3 LYS B 60 -18.184 -1.069 -5.432 1.00 0.00 H new ATOM 0 HG2 LYS B 60 -17.334 1.141 -4.760 1.00 0.00 H new ATOM 0 HG3 LYS B 60 -16.372 1.240 -6.222 1.00 0.00 H new ATOM 0 HD2 LYS B 60 -18.676 0.833 -7.449 1.00 0.00 H new ATOM 0 HD3 LYS B 60 -19.377 1.346 -5.926 1.00 0.00 H new ATOM 0 HE2 LYS B 60 -17.468 2.928 -7.688 1.00 0.00 H new ATOM 0 HE3 LYS B 60 -19.159 3.279 -7.386 1.00 0.00 H new ATOM 0 HZ1 LYS B 60 -18.144 4.700 -5.943 1.00 0.00 H new ATOM 0 HZ2 LYS B 60 -18.359 3.365 -4.916 1.00 0.00 H new ATOM 0 HZ3 LYS B 60 -16.843 3.657 -5.621 1.00 0.00 H new ATOM 977 N PRO B 61 -13.656 -1.623 -5.639 1.00 0.00 N ATOM 978 CA PRO B 61 -12.310 -1.215 -6.028 1.00 0.00 C ATOM 979 C PRO B 61 -12.257 -0.652 -7.431 1.00 0.00 C ATOM 980 O PRO B 61 -12.658 -1.287 -8.409 1.00 0.00 O ATOM 981 CB PRO B 61 -11.480 -2.491 -5.937 1.00 0.00 C ATOM 982 CG PRO B 61 -12.477 -3.590 -5.845 1.00 0.00 C ATOM 983 CD PRO B 61 -13.663 -3.000 -5.143 1.00 0.00 C ATOM 0 HA PRO B 61 -11.942 -0.417 -5.383 1.00 0.00 H new ATOM 0 HB2 PRO B 61 -10.841 -2.610 -6.812 1.00 0.00 H new ATOM 0 HB3 PRO B 61 -10.827 -2.476 -5.065 1.00 0.00 H new ATOM 0 HG2 PRO B 61 -12.749 -3.956 -6.835 1.00 0.00 H new ATOM 0 HG3 PRO B 61 -12.075 -4.438 -5.291 1.00 0.00 H new ATOM 0 HD2 PRO B 61 -14.587 -3.520 -5.396 1.00 0.00 H new ATOM 0 HD3 PRO B 61 -13.559 -3.044 -4.059 1.00 0.00 H new ATOM 991 N ASP B 62 -11.751 0.548 -7.499 1.00 0.00 N ATOM 992 CA ASP B 62 -11.665 1.287 -8.744 1.00 0.00 C ATOM 993 C ASP B 62 -10.320 1.037 -9.401 1.00 0.00 C ATOM 994 O ASP B 62 -10.230 0.312 -10.392 1.00 0.00 O ATOM 995 CB ASP B 62 -11.888 2.778 -8.476 1.00 0.00 C ATOM 996 CG ASP B 62 -11.594 3.651 -9.677 1.00 0.00 C ATOM 997 OD1 ASP B 62 -12.127 3.377 -10.773 1.00 0.00 O ATOM 998 OD2 ASP B 62 -10.824 4.615 -9.523 1.00 0.00 O ATOM 0 H ASP B 62 -11.382 1.051 -6.692 1.00 0.00 H new ATOM 0 HA ASP B 62 -12.442 0.946 -9.428 1.00 0.00 H new ATOM 0 HB2 ASP B 62 -12.921 2.934 -8.166 1.00 0.00 H new ATOM 0 HB3 ASP B 62 -11.255 3.090 -7.645 1.00 0.00 H new ATOM 1003 N ARG B 63 -9.274 1.622 -8.842 1.00 0.00 N ATOM 1004 CA ARG B 63 -7.928 1.367 -9.300 1.00 0.00 C ATOM 1005 C ARG B 63 -6.934 1.761 -8.223 1.00 0.00 C ATOM 1006 O ARG B 63 -7.313 2.292 -7.177 1.00 0.00 O ATOM 1007 CB ARG B 63 -7.656 2.153 -10.578 1.00 0.00 C ATOM 1008 CG ARG B 63 -7.725 3.656 -10.383 1.00 0.00 C ATOM 1009 CD ARG B 63 -8.600 4.314 -11.433 1.00 0.00 C ATOM 1010 NE ARG B 63 -8.353 3.794 -12.776 1.00 0.00 N ATOM 1011 CZ ARG B 63 -9.302 3.276 -13.559 1.00 0.00 C ATOM 1012 NH1 ARG B 63 -10.554 3.165 -13.122 1.00 0.00 N ATOM 1013 NH2 ARG B 63 -8.997 2.855 -14.780 1.00 0.00 N ATOM 0 H ARG B 63 -9.337 2.280 -8.065 1.00 0.00 H new ATOM 0 HA ARG B 63 -7.818 0.303 -9.511 1.00 0.00 H new ATOM 0 HB2 ARG B 63 -6.669 1.887 -10.957 1.00 0.00 H new ATOM 0 HB3 ARG B 63 -8.379 1.858 -11.339 1.00 0.00 H new ATOM 0 HG2 ARG B 63 -8.117 3.877 -9.390 1.00 0.00 H new ATOM 0 HG3 ARG B 63 -6.720 4.076 -10.430 1.00 0.00 H new ATOM 0 HD2 ARG B 63 -9.648 4.161 -11.175 1.00 0.00 H new ATOM 0 HD3 ARG B 63 -8.424 5.390 -11.426 1.00 0.00 H new ATOM 0 HE ARG B 63 -7.399 3.829 -13.136 1.00 0.00 H new ATOM 0 HH11 ARG B 63 -10.795 3.477 -12.181 1.00 0.00 H new ATOM 0 HH12 ARG B 63 -11.272 2.768 -13.728 1.00 0.00 H new ATOM 0 HH21 ARG B 63 -8.038 2.927 -15.120 1.00 0.00 H new ATOM 0 HH22 ARG B 63 -9.722 2.459 -15.379 1.00 0.00 H new ATOM 1027 N PHE B 64 -5.672 1.499 -8.483 1.00 0.00 N ATOM 1028 CA PHE B 64 -4.613 1.847 -7.557 1.00 0.00 C ATOM 1029 C PHE B 64 -3.556 2.661 -8.270 1.00 0.00 C ATOM 1030 O PHE B 64 -2.968 2.203 -9.254 1.00 0.00 O ATOM 1031 CB PHE B 64 -3.987 0.593 -6.944 1.00 0.00 C ATOM 1032 CG PHE B 64 -4.859 -0.076 -5.921 1.00 0.00 C ATOM 1033 CD1 PHE B 64 -5.817 -1.002 -6.299 1.00 0.00 C ATOM 1034 CD2 PHE B 64 -4.716 0.226 -4.578 1.00 0.00 C ATOM 1035 CE1 PHE B 64 -6.618 -1.614 -5.354 1.00 0.00 C ATOM 1036 CE2 PHE B 64 -5.513 -0.383 -3.627 1.00 0.00 C ATOM 1037 CZ PHE B 64 -6.466 -1.304 -4.016 1.00 0.00 C ATOM 0 H PHE B 64 -5.351 1.042 -9.336 1.00 0.00 H new ATOM 0 HA PHE B 64 -5.042 2.441 -6.750 1.00 0.00 H new ATOM 0 HB2 PHE B 64 -3.764 -0.118 -7.740 1.00 0.00 H new ATOM 0 HB3 PHE B 64 -3.037 0.861 -6.481 1.00 0.00 H new ATOM 0 HD1 PHE B 64 -5.939 -1.248 -7.343 1.00 0.00 H new ATOM 0 HD2 PHE B 64 -3.973 0.946 -4.269 1.00 0.00 H new ATOM 0 HE1 PHE B 64 -7.362 -2.334 -5.661 1.00 0.00 H new ATOM 0 HE2 PHE B 64 -5.391 -0.139 -2.582 1.00 0.00 H new ATOM 0 HZ PHE B 64 -7.091 -1.781 -3.276 1.00 0.00 H new ATOM 1047 N SER B 65 -3.327 3.869 -7.789 1.00 0.00 N ATOM 1048 CA SER B 65 -2.312 4.727 -8.363 1.00 0.00 C ATOM 1049 C SER B 65 -1.401 5.256 -7.262 1.00 0.00 C ATOM 1050 O SER B 65 -1.525 6.403 -6.831 1.00 0.00 O ATOM 1051 CB SER B 65 -2.972 5.889 -9.108 1.00 0.00 C ATOM 1052 OG SER B 65 -3.962 5.416 -10.014 1.00 0.00 O ATOM 0 H SER B 65 -3.831 4.277 -7.002 1.00 0.00 H new ATOM 0 HA SER B 65 -1.714 4.152 -9.070 1.00 0.00 H new ATOM 0 HB2 SER B 65 -3.426 6.574 -8.392 1.00 0.00 H new ATOM 0 HB3 SER B 65 -2.215 6.453 -9.653 1.00 0.00 H new ATOM 0 HG SER B 65 -4.371 6.176 -10.477 1.00 0.00 H new ATOM 1058 N PRO B 66 -0.465 4.421 -6.799 1.00 0.00 N ATOM 1059 CA PRO B 66 0.479 4.809 -5.768 1.00 0.00 C ATOM 1060 C PRO B 66 1.647 5.600 -6.330 1.00 0.00 C ATOM 1061 O PRO B 66 2.093 5.371 -7.457 1.00 0.00 O ATOM 1062 CB PRO B 66 0.952 3.478 -5.200 1.00 0.00 C ATOM 1063 CG PRO B 66 0.803 2.503 -6.316 1.00 0.00 C ATOM 1064 CD PRO B 66 -0.280 3.025 -7.224 1.00 0.00 C ATOM 0 HA PRO B 66 0.027 5.463 -5.022 1.00 0.00 H new ATOM 0 HB2 PRO B 66 1.988 3.538 -4.865 1.00 0.00 H new ATOM 0 HB3 PRO B 66 0.355 3.183 -4.337 1.00 0.00 H new ATOM 0 HG2 PRO B 66 1.741 2.395 -6.860 1.00 0.00 H new ATOM 0 HG3 PRO B 66 0.541 1.517 -5.933 1.00 0.00 H new ATOM 0 HD2 PRO B 66 0.015 2.963 -8.272 1.00 0.00 H new ATOM 0 HD3 PRO B 66 -1.200 2.451 -7.117 1.00 0.00 H new ATOM 1072 N SER B 67 2.126 6.545 -5.551 1.00 0.00 N ATOM 1073 CA SER B 67 3.225 7.394 -5.974 1.00 0.00 C ATOM 1074 C SER B 67 3.964 7.944 -4.760 1.00 0.00 C ATOM 1075 O SER B 67 3.357 8.233 -3.727 1.00 0.00 O ATOM 1076 CB SER B 67 2.718 8.541 -6.853 1.00 0.00 C ATOM 1077 OG SER B 67 1.869 8.062 -7.884 1.00 0.00 O ATOM 0 H SER B 67 1.772 6.748 -4.616 1.00 0.00 H new ATOM 0 HA SER B 67 3.917 6.792 -6.563 1.00 0.00 H new ATOM 0 HB2 SER B 67 2.178 9.261 -6.239 1.00 0.00 H new ATOM 0 HB3 SER B 67 3.565 9.068 -7.292 1.00 0.00 H new ATOM 0 HG SER B 67 1.559 8.815 -8.429 1.00 0.00 H new ATOM 1083 N TYR B 68 5.271 8.071 -4.891 1.00 0.00 N ATOM 1084 CA TYR B 68 6.113 8.527 -3.801 1.00 0.00 C ATOM 1085 C TYR B 68 6.557 9.962 -4.035 1.00 0.00 C ATOM 1086 O TYR B 68 7.198 10.272 -5.039 1.00 0.00 O ATOM 1087 CB TYR B 68 7.335 7.616 -3.652 1.00 0.00 C ATOM 1088 CG TYR B 68 8.362 8.129 -2.669 1.00 0.00 C ATOM 1089 CD1 TYR B 68 8.107 8.141 -1.303 1.00 0.00 C ATOM 1090 CD2 TYR B 68 9.584 8.618 -3.112 1.00 0.00 C ATOM 1091 CE1 TYR B 68 9.043 8.625 -0.409 1.00 0.00 C ATOM 1092 CE2 TYR B 68 10.518 9.109 -2.223 1.00 0.00 C ATOM 1093 CZ TYR B 68 10.244 9.110 -0.876 1.00 0.00 C ATOM 1094 OH TYR B 68 11.173 9.612 0.007 1.00 0.00 O ATOM 0 H TYR B 68 5.777 7.862 -5.752 1.00 0.00 H new ATOM 0 HA TYR B 68 5.532 8.487 -2.880 1.00 0.00 H new ATOM 0 HB2 TYR B 68 7.003 6.628 -3.334 1.00 0.00 H new ATOM 0 HB3 TYR B 68 7.807 7.495 -4.627 1.00 0.00 H new ATOM 0 HD1 TYR B 68 7.163 7.767 -0.935 1.00 0.00 H new ATOM 0 HD2 TYR B 68 9.807 8.614 -4.169 1.00 0.00 H new ATOM 0 HE1 TYR B 68 8.834 8.623 0.650 1.00 0.00 H new ATOM 0 HE2 TYR B 68 11.461 9.491 -2.584 1.00 0.00 H new ATOM 0 HH TYR B 68 11.988 9.068 -0.031 1.00 0.00 H new ATOM 1104 N ASN B 69 6.205 10.833 -3.112 1.00 0.00 N ATOM 1105 CA ASN B 69 6.641 12.217 -3.171 1.00 0.00 C ATOM 1106 C ASN B 69 7.826 12.441 -2.241 1.00 0.00 C ATOM 1107 O ASN B 69 7.704 12.327 -1.021 1.00 0.00 O ATOM 1108 CB ASN B 69 5.496 13.180 -2.830 1.00 0.00 C ATOM 1109 CG ASN B 69 4.621 12.711 -1.683 1.00 0.00 C ATOM 1110 OD1 ASN B 69 4.993 13.075 -0.474 1.00 0.00 O flip ATOM 1111 ND2 ASN B 69 3.613 12.033 -1.885 1.00 0.00 N flip ATOM 0 H ASN B 69 5.617 10.608 -2.309 1.00 0.00 H new ATOM 0 HA ASN B 69 6.955 12.426 -4.194 1.00 0.00 H new ATOM 0 HB2 ASN B 69 5.916 14.154 -2.579 1.00 0.00 H new ATOM 0 HB3 ASN B 69 4.875 13.319 -3.715 1.00 0.00 H new ATOM 0 HD21 ASN B 69 3.357 11.771 -2.837 1.00 0.00 H new ATOM 0 HD22 ASN B 69 3.034 11.734 -1.100 1.00 0.00 H new ATOM 1118 N PHE B 70 8.976 12.764 -2.834 1.00 0.00 N ATOM 1119 CA PHE B 70 10.221 12.943 -2.085 1.00 0.00 C ATOM 1120 C PHE B 70 10.100 14.116 -1.129 1.00 0.00 C ATOM 1121 O PHE B 70 10.689 14.116 -0.051 1.00 0.00 O ATOM 1122 CB PHE B 70 11.398 13.204 -3.031 1.00 0.00 C ATOM 1123 CG PHE B 70 11.680 12.098 -4.006 1.00 0.00 C ATOM 1124 CD1 PHE B 70 10.984 12.017 -5.201 1.00 0.00 C ATOM 1125 CD2 PHE B 70 12.653 11.150 -3.736 1.00 0.00 C ATOM 1126 CE1 PHE B 70 11.251 11.010 -6.103 1.00 0.00 C ATOM 1127 CE2 PHE B 70 12.922 10.137 -4.637 1.00 0.00 C ATOM 1128 CZ PHE B 70 12.221 10.070 -5.822 1.00 0.00 C ATOM 0 H PHE B 70 9.071 12.908 -3.839 1.00 0.00 H new ATOM 0 HA PHE B 70 10.402 12.025 -1.526 1.00 0.00 H new ATOM 0 HB2 PHE B 70 11.201 14.120 -3.589 1.00 0.00 H new ATOM 0 HB3 PHE B 70 12.293 13.380 -2.434 1.00 0.00 H new ATOM 0 HD1 PHE B 70 10.224 12.750 -5.428 1.00 0.00 H new ATOM 0 HD2 PHE B 70 13.208 11.203 -2.811 1.00 0.00 H new ATOM 0 HE1 PHE B 70 10.701 10.957 -7.031 1.00 0.00 H new ATOM 0 HE2 PHE B 70 13.679 9.400 -4.413 1.00 0.00 H new ATOM 0 HZ PHE B 70 12.431 9.282 -6.530 1.00 0.00 H new ATOM 1138 N ALA B 71 9.319 15.106 -1.543 1.00 0.00 N ATOM 1139 CA ALA B 71 9.142 16.338 -0.788 1.00 0.00 C ATOM 1140 C ALA B 71 8.698 16.070 0.644 1.00 0.00 C ATOM 1141 O ALA B 71 9.176 16.703 1.582 1.00 0.00 O ATOM 1142 CB ALA B 71 8.129 17.225 -1.492 1.00 0.00 C ATOM 0 H ALA B 71 8.790 15.076 -2.414 1.00 0.00 H new ATOM 0 HA ALA B 71 10.107 16.843 -0.740 1.00 0.00 H new ATOM 0 HB1 ALA B 71 7.997 18.147 -0.926 1.00 0.00 H new ATOM 0 HB2 ALA B 71 8.487 17.462 -2.494 1.00 0.00 H new ATOM 0 HB3 ALA B 71 7.175 16.703 -1.562 1.00 0.00 H new ATOM 1148 N GLU B 72 7.782 15.128 0.807 1.00 0.00 N ATOM 1149 CA GLU B 72 7.262 14.804 2.127 1.00 0.00 C ATOM 1150 C GLU B 72 7.687 13.406 2.541 1.00 0.00 C ATOM 1151 O GLU B 72 7.305 12.931 3.606 1.00 0.00 O ATOM 1152 CB GLU B 72 5.740 14.876 2.138 1.00 0.00 C ATOM 1153 CG GLU B 72 5.165 15.963 1.250 1.00 0.00 C ATOM 1154 CD GLU B 72 3.654 15.977 1.264 1.00 0.00 C ATOM 1155 OE1 GLU B 72 3.039 15.226 0.481 1.00 0.00 O ATOM 1156 OE2 GLU B 72 3.071 16.739 2.062 1.00 0.00 O ATOM 0 H GLU B 72 7.385 14.577 0.046 1.00 0.00 H new ATOM 0 HA GLU B 72 7.667 15.533 2.829 1.00 0.00 H new ATOM 0 HB2 GLU B 72 5.339 13.913 1.821 1.00 0.00 H new ATOM 0 HB3 GLU B 72 5.402 15.041 3.161 1.00 0.00 H new ATOM 0 HG2 GLU B 72 5.538 16.933 1.579 1.00 0.00 H new ATOM 0 HG3 GLU B 72 5.515 15.817 0.228 1.00 0.00 H new ATOM 1163 N ASN B 73 8.469 12.762 1.662 1.00 0.00 N ATOM 1164 CA ASN B 73 8.916 11.365 1.819 1.00 0.00 C ATOM 1165 C ASN B 73 7.747 10.443 2.164 1.00 0.00 C ATOM 1166 O ASN B 73 7.835 9.579 3.044 1.00 0.00 O ATOM 1167 CB ASN B 73 10.074 11.216 2.835 1.00 0.00 C ATOM 1168 CG ASN B 73 9.783 11.803 4.202 1.00 0.00 C ATOM 1169 OD1 ASN B 73 10.129 12.952 4.487 1.00 0.00 O ATOM 1170 ND2 ASN B 73 9.140 11.031 5.056 1.00 0.00 N ATOM 0 H ASN B 73 8.815 13.201 0.809 1.00 0.00 H new ATOM 0 HA ASN B 73 9.314 11.057 0.852 1.00 0.00 H new ATOM 0 HB2 ASN B 73 10.308 10.158 2.949 1.00 0.00 H new ATOM 0 HB3 ASN B 73 10.963 11.697 2.428 1.00 0.00 H new ATOM 0 HD21 ASN B 73 8.913 11.379 5.987 1.00 0.00 H new ATOM 0 HD22 ASN B 73 8.870 10.086 4.785 1.00 0.00 H new ATOM 1177 N ILE B 74 6.651 10.620 1.435 1.00 0.00 N ATOM 1178 CA ILE B 74 5.441 9.854 1.672 1.00 0.00 C ATOM 1179 C ILE B 74 5.003 9.111 0.410 1.00 0.00 C ATOM 1180 O ILE B 74 5.058 9.650 -0.696 1.00 0.00 O ATOM 1181 CB ILE B 74 4.316 10.784 2.175 1.00 0.00 C ATOM 1182 CG1 ILE B 74 4.708 11.354 3.540 1.00 0.00 C ATOM 1183 CG2 ILE B 74 2.982 10.052 2.251 1.00 0.00 C ATOM 1184 CD1 ILE B 74 3.924 12.571 3.949 1.00 0.00 C ATOM 0 H ILE B 74 6.579 11.292 0.671 1.00 0.00 H new ATOM 0 HA ILE B 74 5.651 9.109 2.439 1.00 0.00 H new ATOM 0 HB ILE B 74 4.190 11.602 1.466 1.00 0.00 H new ATOM 0 HG12 ILE B 74 4.576 10.580 4.296 1.00 0.00 H new ATOM 0 HG13 ILE B 74 5.768 11.607 3.525 1.00 0.00 H new ATOM 0 HG21 ILE B 74 2.212 10.735 2.609 1.00 0.00 H new ATOM 0 HG22 ILE B 74 2.711 9.686 1.261 1.00 0.00 H new ATOM 0 HG23 ILE B 74 3.068 9.210 2.938 1.00 0.00 H new ATOM 0 HD11 ILE B 74 4.264 12.911 4.927 1.00 0.00 H new ATOM 0 HD12 ILE B 74 4.075 13.364 3.217 1.00 0.00 H new ATOM 0 HD13 ILE B 74 2.864 12.321 4.000 1.00 0.00 H new ATOM 1196 N LEU B 75 4.593 7.865 0.594 1.00 0.00 N ATOM 1197 CA LEU B 75 4.110 7.028 -0.492 1.00 0.00 C ATOM 1198 C LEU B 75 2.594 6.909 -0.384 1.00 0.00 C ATOM 1199 O LEU B 75 2.079 6.246 0.511 1.00 0.00 O ATOM 1200 CB LEU B 75 4.793 5.644 -0.408 1.00 0.00 C ATOM 1201 CG LEU B 75 4.431 4.602 -1.485 1.00 0.00 C ATOM 1202 CD1 LEU B 75 3.119 3.901 -1.164 1.00 0.00 C ATOM 1203 CD2 LEU B 75 4.364 5.241 -2.860 1.00 0.00 C ATOM 0 H LEU B 75 4.586 7.405 1.504 1.00 0.00 H new ATOM 0 HA LEU B 75 4.354 7.469 -1.459 1.00 0.00 H new ATOM 0 HB2 LEU B 75 5.871 5.799 -0.440 1.00 0.00 H new ATOM 0 HB3 LEU B 75 4.562 5.214 0.567 1.00 0.00 H new ATOM 0 HG LEU B 75 5.222 3.852 -1.489 1.00 0.00 H new ATOM 0 HD11 LEU B 75 2.895 3.173 -1.944 1.00 0.00 H new ATOM 0 HD12 LEU B 75 3.205 3.390 -0.205 1.00 0.00 H new ATOM 0 HD13 LEU B 75 2.316 4.637 -1.113 1.00 0.00 H new ATOM 0 HD21 LEU B 75 4.107 4.484 -3.601 1.00 0.00 H new ATOM 0 HD22 LEU B 75 3.604 6.023 -2.861 1.00 0.00 H new ATOM 0 HD23 LEU B 75 5.333 5.676 -3.107 1.00 0.00 H new ATOM 1215 N TYR B 76 1.870 7.571 -1.270 1.00 0.00 N ATOM 1216 CA TYR B 76 0.423 7.516 -1.212 1.00 0.00 C ATOM 1217 C TYR B 76 -0.099 6.441 -2.153 1.00 0.00 C ATOM 1218 O TYR B 76 0.475 6.198 -3.212 1.00 0.00 O ATOM 1219 CB TYR B 76 -0.198 8.886 -1.520 1.00 0.00 C ATOM 1220 CG TYR B 76 -0.312 9.247 -2.985 1.00 0.00 C ATOM 1221 CD1 TYR B 76 -1.425 8.867 -3.724 1.00 0.00 C ATOM 1222 CD2 TYR B 76 0.673 9.994 -3.616 1.00 0.00 C ATOM 1223 CE1 TYR B 76 -1.550 9.211 -5.053 1.00 0.00 C ATOM 1224 CE2 TYR B 76 0.552 10.348 -4.946 1.00 0.00 C ATOM 1225 CZ TYR B 76 -0.560 9.953 -5.660 1.00 0.00 C ATOM 1226 OH TYR B 76 -0.684 10.311 -6.985 1.00 0.00 O ATOM 0 H TYR B 76 2.252 8.142 -2.024 1.00 0.00 H new ATOM 0 HA TYR B 76 0.127 7.252 -0.197 1.00 0.00 H new ATOM 0 HB2 TYR B 76 -1.194 8.919 -1.079 1.00 0.00 H new ATOM 0 HB3 TYR B 76 0.396 9.652 -1.022 1.00 0.00 H new ATOM 0 HD1 TYR B 76 -2.206 8.292 -3.249 1.00 0.00 H new ATOM 0 HD2 TYR B 76 1.546 10.303 -3.060 1.00 0.00 H new ATOM 0 HE1 TYR B 76 -2.418 8.901 -5.615 1.00 0.00 H new ATOM 0 HE2 TYR B 76 1.325 10.931 -5.424 1.00 0.00 H new ATOM 0 HH TYR B 76 0.099 10.833 -7.258 1.00 0.00 H new ATOM 1236 N ILE B 77 -1.174 5.787 -1.735 1.00 0.00 N ATOM 1237 CA ILE B 77 -1.744 4.672 -2.480 1.00 0.00 C ATOM 1238 C ILE B 77 -2.816 5.160 -3.443 1.00 0.00 C ATOM 1239 O ILE B 77 -2.913 4.695 -4.575 1.00 0.00 O ATOM 1240 CB ILE B 77 -2.364 3.634 -1.518 1.00 0.00 C ATOM 1241 CG1 ILE B 77 -1.305 3.093 -0.553 1.00 0.00 C ATOM 1242 CG2 ILE B 77 -3.021 2.498 -2.291 1.00 0.00 C ATOM 1243 CD1 ILE B 77 -0.135 2.415 -1.237 1.00 0.00 C ATOM 0 H ILE B 77 -1.674 6.012 -0.875 1.00 0.00 H new ATOM 0 HA ILE B 77 -0.938 4.205 -3.045 1.00 0.00 H new ATOM 0 HB ILE B 77 -3.137 4.133 -0.934 1.00 0.00 H new ATOM 0 HG12 ILE B 77 -0.929 3.915 0.056 1.00 0.00 H new ATOM 0 HG13 ILE B 77 -1.776 2.383 0.126 1.00 0.00 H new ATOM 0 HG21 ILE B 77 -3.449 1.781 -1.590 1.00 0.00 H new ATOM 0 HG22 ILE B 77 -3.810 2.899 -2.927 1.00 0.00 H new ATOM 0 HG23 ILE B 77 -2.275 1.999 -2.909 1.00 0.00 H new ATOM 0 HD11 ILE B 77 0.570 2.060 -0.485 1.00 0.00 H new ATOM 0 HD12 ILE B 77 -0.496 1.570 -1.824 1.00 0.00 H new ATOM 0 HD13 ILE B 77 0.364 3.127 -1.895 1.00 0.00 H new ATOM 1255 N ASN B 78 -3.615 6.096 -2.966 1.00 0.00 N ATOM 1256 CA ASN B 78 -4.702 6.679 -3.737 1.00 0.00 C ATOM 1257 C ASN B 78 -5.092 7.994 -3.094 1.00 0.00 C ATOM 1258 O ASN B 78 -4.473 8.408 -2.113 1.00 0.00 O ATOM 1259 CB ASN B 78 -5.923 5.743 -3.771 1.00 0.00 C ATOM 1260 CG ASN B 78 -5.935 4.794 -4.960 1.00 0.00 C ATOM 1261 OD1 ASN B 78 -5.431 5.114 -6.037 1.00 0.00 O ATOM 1262 ND2 ASN B 78 -6.516 3.618 -4.773 1.00 0.00 N ATOM 0 H ASN B 78 -3.529 6.478 -2.024 1.00 0.00 H new ATOM 0 HA ASN B 78 -4.368 6.834 -4.763 1.00 0.00 H new ATOM 0 HB2 ASN B 78 -5.947 5.159 -2.851 1.00 0.00 H new ATOM 0 HB3 ASN B 78 -6.831 6.346 -3.790 1.00 0.00 H new ATOM 0 HD21 ASN B 78 -6.557 2.942 -5.536 1.00 0.00 H new ATOM 0 HD22 ASN B 78 -6.923 3.389 -3.866 1.00 0.00 H new ATOM 1269 N GLY B 79 -6.125 8.633 -3.612 1.00 0.00 N ATOM 1270 CA GLY B 79 -6.627 9.844 -2.993 1.00 0.00 C ATOM 1271 C GLY B 79 -7.459 9.538 -1.762 1.00 0.00 C ATOM 1272 O GLY B 79 -8.082 10.425 -1.181 1.00 0.00 O ATOM 0 H GLY B 79 -6.627 8.338 -4.449 1.00 0.00 H new ATOM 0 HA2 GLY B 79 -5.790 10.486 -2.717 1.00 0.00 H new ATOM 0 HA3 GLY B 79 -7.230 10.398 -3.712 1.00 0.00 H new ATOM 1276 N LYS B 80 -7.463 8.268 -1.375 1.00 0.00 N ATOM 1277 CA LYS B 80 -8.229 7.802 -0.235 1.00 0.00 C ATOM 1278 C LYS B 80 -7.359 7.786 1.011 1.00 0.00 C ATOM 1279 O LYS B 80 -7.813 8.116 2.108 1.00 0.00 O ATOM 1280 CB LYS B 80 -8.757 6.401 -0.527 1.00 0.00 C ATOM 1281 CG LYS B 80 -9.422 6.304 -1.886 1.00 0.00 C ATOM 1282 CD LYS B 80 -9.847 4.884 -2.216 1.00 0.00 C ATOM 1283 CE LYS B 80 -10.984 4.850 -3.232 1.00 0.00 C ATOM 1284 NZ LYS B 80 -10.675 5.614 -4.475 1.00 0.00 N ATOM 0 H LYS B 80 -6.933 7.535 -1.846 1.00 0.00 H new ATOM 0 HA LYS B 80 -9.067 8.477 -0.060 1.00 0.00 H new ATOM 0 HB2 LYS B 80 -7.934 5.688 -0.477 1.00 0.00 H new ATOM 0 HB3 LYS B 80 -9.472 6.117 0.245 1.00 0.00 H new ATOM 0 HG2 LYS B 80 -10.294 6.957 -1.909 1.00 0.00 H new ATOM 0 HG3 LYS B 80 -8.734 6.663 -2.652 1.00 0.00 H new ATOM 0 HD2 LYS B 80 -8.993 4.332 -2.609 1.00 0.00 H new ATOM 0 HD3 LYS B 80 -10.161 4.378 -1.303 1.00 0.00 H new ATOM 0 HE2 LYS B 80 -11.201 3.814 -3.493 1.00 0.00 H new ATOM 0 HE3 LYS B 80 -11.885 5.259 -2.775 1.00 0.00 H new ATOM 0 HZ1 LYS B 80 -11.403 5.419 -5.192 1.00 0.00 H new ATOM 0 HZ2 LYS B 80 -10.662 6.632 -4.263 1.00 0.00 H new ATOM 0 HZ3 LYS B 80 -9.745 5.324 -4.838 1.00 0.00 H new ATOM 1298 N LEU B 81 -6.102 7.407 0.830 1.00 0.00 N ATOM 1299 CA LEU B 81 -5.152 7.353 1.934 1.00 0.00 C ATOM 1300 C LEU B 81 -3.706 7.393 1.445 1.00 0.00 C ATOM 1301 O LEU B 81 -3.402 6.995 0.316 1.00 0.00 O ATOM 1302 CB LEU B 81 -5.394 6.122 2.828 1.00 0.00 C ATOM 1303 CG LEU B 81 -5.723 4.801 2.118 1.00 0.00 C ATOM 1304 CD1 LEU B 81 -4.585 4.348 1.220 1.00 0.00 C ATOM 1305 CD2 LEU B 81 -6.030 3.732 3.146 1.00 0.00 C ATOM 0 H LEU B 81 -5.715 7.132 -0.073 1.00 0.00 H new ATOM 0 HA LEU B 81 -5.319 8.245 2.537 1.00 0.00 H new ATOM 0 HB2 LEU B 81 -4.505 5.966 3.439 1.00 0.00 H new ATOM 0 HB3 LEU B 81 -6.212 6.354 3.510 1.00 0.00 H new ATOM 0 HG LEU B 81 -6.596 4.966 1.487 1.00 0.00 H new ATOM 0 HD11 LEU B 81 -4.855 3.410 0.735 1.00 0.00 H new ATOM 0 HD12 LEU B 81 -4.396 5.107 0.461 1.00 0.00 H new ATOM 0 HD13 LEU B 81 -3.686 4.201 1.818 1.00 0.00 H new ATOM 0 HD21 LEU B 81 -6.263 2.796 2.639 1.00 0.00 H new ATOM 0 HD22 LEU B 81 -5.164 3.589 3.792 1.00 0.00 H new ATOM 0 HD23 LEU B 81 -6.884 4.041 3.748 1.00 0.00 H new ATOM 1317 N SER B 82 -2.828 7.895 2.298 1.00 0.00 N ATOM 1318 CA SER B 82 -1.415 7.992 1.981 1.00 0.00 C ATOM 1319 C SER B 82 -0.572 7.363 3.085 1.00 0.00 C ATOM 1320 O SER B 82 -0.896 7.490 4.268 1.00 0.00 O ATOM 1321 CB SER B 82 -1.037 9.458 1.783 1.00 0.00 C ATOM 1322 OG SER B 82 -1.574 10.264 2.819 1.00 0.00 O ATOM 0 H SER B 82 -3.074 8.245 3.224 1.00 0.00 H new ATOM 0 HA SER B 82 -1.218 7.446 1.058 1.00 0.00 H new ATOM 0 HB2 SER B 82 0.048 9.558 1.764 1.00 0.00 H new ATOM 0 HB3 SER B 82 -1.406 9.806 0.818 1.00 0.00 H new ATOM 0 HG SER B 82 -1.318 11.199 2.673 1.00 0.00 H new ATOM 1328 N ILE B 83 0.499 6.678 2.700 1.00 0.00 N ATOM 1329 CA ILE B 83 1.359 5.996 3.657 1.00 0.00 C ATOM 1330 C ILE B 83 2.662 6.770 3.859 1.00 0.00 C ATOM 1331 O ILE B 83 3.535 6.773 2.992 1.00 0.00 O ATOM 1332 CB ILE B 83 1.688 4.563 3.185 1.00 0.00 C ATOM 1333 CG1 ILE B 83 0.404 3.784 2.880 1.00 0.00 C ATOM 1334 CG2 ILE B 83 2.523 3.834 4.227 1.00 0.00 C ATOM 1335 CD1 ILE B 83 -0.549 3.683 4.053 1.00 0.00 C ATOM 0 H ILE B 83 0.792 6.581 1.728 1.00 0.00 H new ATOM 0 HA ILE B 83 0.819 5.943 4.602 1.00 0.00 H new ATOM 0 HB ILE B 83 2.271 4.632 2.266 1.00 0.00 H new ATOM 0 HG12 ILE B 83 -0.111 4.264 2.047 1.00 0.00 H new ATOM 0 HG13 ILE B 83 0.670 2.779 2.554 1.00 0.00 H new ATOM 0 HG21 ILE B 83 2.744 2.826 3.876 1.00 0.00 H new ATOM 0 HG22 ILE B 83 3.455 4.375 4.389 1.00 0.00 H new ATOM 0 HG23 ILE B 83 1.968 3.778 5.164 1.00 0.00 H new ATOM 0 HD11 ILE B 83 -1.432 3.118 3.756 1.00 0.00 H new ATOM 0 HD12 ILE B 83 -0.054 3.175 4.881 1.00 0.00 H new ATOM 0 HD13 ILE B 83 -0.847 4.683 4.367 1.00 0.00 H new ATOM 1347 N PRO B 84 2.805 7.451 5.003 1.00 0.00 N ATOM 1348 CA PRO B 84 4.003 8.225 5.301 1.00 0.00 C ATOM 1349 C PRO B 84 5.144 7.362 5.817 1.00 0.00 C ATOM 1350 O PRO B 84 4.952 6.504 6.681 1.00 0.00 O ATOM 1351 CB PRO B 84 3.531 9.198 6.375 1.00 0.00 C ATOM 1352 CG PRO B 84 2.427 8.486 7.083 1.00 0.00 C ATOM 1353 CD PRO B 84 1.813 7.526 6.092 1.00 0.00 C ATOM 0 HA PRO B 84 4.407 8.712 4.413 1.00 0.00 H new ATOM 0 HB2 PRO B 84 4.340 9.452 7.060 1.00 0.00 H new ATOM 0 HB3 PRO B 84 3.180 10.132 5.935 1.00 0.00 H new ATOM 0 HG2 PRO B 84 2.809 7.951 7.952 1.00 0.00 H new ATOM 0 HG3 PRO B 84 1.682 9.194 7.446 1.00 0.00 H new ATOM 0 HD2 PRO B 84 1.638 6.548 6.540 1.00 0.00 H new ATOM 0 HD3 PRO B 84 0.850 7.888 5.730 1.00 0.00 H new ATOM 1361 N LEU B 85 6.331 7.595 5.286 1.00 0.00 N ATOM 1362 CA LEU B 85 7.504 6.841 5.697 1.00 0.00 C ATOM 1363 C LEU B 85 8.313 7.653 6.696 1.00 0.00 C ATOM 1364 O LEU B 85 8.378 8.877 6.594 1.00 0.00 O ATOM 1365 CB LEU B 85 8.381 6.474 4.490 1.00 0.00 C ATOM 1366 CG LEU B 85 7.763 5.496 3.479 1.00 0.00 C ATOM 1367 CD1 LEU B 85 7.099 4.327 4.190 1.00 0.00 C ATOM 1368 CD2 LEU B 85 6.777 6.205 2.564 1.00 0.00 C ATOM 0 H LEU B 85 6.509 8.299 4.570 1.00 0.00 H new ATOM 0 HA LEU B 85 7.167 5.916 6.165 1.00 0.00 H new ATOM 0 HB2 LEU B 85 8.642 7.392 3.964 1.00 0.00 H new ATOM 0 HB3 LEU B 85 9.311 6.043 4.860 1.00 0.00 H new ATOM 0 HG LEU B 85 8.569 5.101 2.861 1.00 0.00 H new ATOM 0 HD11 LEU B 85 6.669 3.649 3.452 1.00 0.00 H new ATOM 0 HD12 LEU B 85 7.841 3.794 4.784 1.00 0.00 H new ATOM 0 HD13 LEU B 85 6.310 4.699 4.844 1.00 0.00 H new ATOM 0 HD21 LEU B 85 6.355 5.489 1.859 1.00 0.00 H new ATOM 0 HD22 LEU B 85 5.976 6.642 3.161 1.00 0.00 H new ATOM 0 HD23 LEU B 85 7.292 6.994 2.016 1.00 0.00 H new ATOM 1380 N PRO B 86 8.915 6.988 7.691 1.00 0.00 N ATOM 1381 CA PRO B 86 9.766 7.657 8.667 1.00 0.00 C ATOM 1382 C PRO B 86 11.039 8.185 8.021 1.00 0.00 C ATOM 1383 O PRO B 86 11.624 7.535 7.152 1.00 0.00 O ATOM 1384 CB PRO B 86 10.091 6.565 9.691 1.00 0.00 C ATOM 1385 CG PRO B 86 9.874 5.279 8.972 1.00 0.00 C ATOM 1386 CD PRO B 86 8.811 5.540 7.939 1.00 0.00 C ATOM 0 HA PRO B 86 9.278 8.523 9.114 1.00 0.00 H new ATOM 0 HB2 PRO B 86 11.119 6.650 10.045 1.00 0.00 H new ATOM 0 HB3 PRO B 86 9.445 6.641 10.566 1.00 0.00 H new ATOM 0 HG2 PRO B 86 10.796 4.937 8.502 1.00 0.00 H new ATOM 0 HG3 PRO B 86 9.560 4.497 9.663 1.00 0.00 H new ATOM 0 HD2 PRO B 86 8.986 4.964 7.030 1.00 0.00 H new ATOM 0 HD3 PRO B 86 7.821 5.266 8.305 1.00 0.00 H new ATOM 1394 N ARG B 87 11.473 9.355 8.464 1.00 0.00 N ATOM 1395 CA ARG B 87 12.638 10.015 7.887 1.00 0.00 C ATOM 1396 C ARG B 87 13.925 9.286 8.262 1.00 0.00 C ATOM 1397 O ARG B 87 15.008 9.634 7.792 1.00 0.00 O ATOM 1398 CB ARG B 87 12.728 11.477 8.336 1.00 0.00 C ATOM 1399 CG ARG B 87 11.766 12.417 7.620 1.00 0.00 C ATOM 1400 CD ARG B 87 10.332 12.225 8.080 1.00 0.00 C ATOM 1401 NE ARG B 87 9.401 13.067 7.330 1.00 0.00 N ATOM 1402 CZ ARG B 87 8.120 13.228 7.656 1.00 0.00 C ATOM 1403 NH1 ARG B 87 7.628 12.623 8.727 1.00 0.00 N ATOM 1404 NH2 ARG B 87 7.334 13.997 6.911 1.00 0.00 N ATOM 0 H ARG B 87 11.034 9.871 9.226 1.00 0.00 H new ATOM 0 HA ARG B 87 12.518 9.987 6.804 1.00 0.00 H new ATOM 0 HB2 ARG B 87 12.536 11.527 9.408 1.00 0.00 H new ATOM 0 HB3 ARG B 87 13.747 11.831 8.178 1.00 0.00 H new ATOM 0 HG2 ARG B 87 12.068 13.449 7.798 1.00 0.00 H new ATOM 0 HG3 ARG B 87 11.827 12.248 6.545 1.00 0.00 H new ATOM 0 HD2 ARG B 87 10.050 11.179 7.963 1.00 0.00 H new ATOM 0 HD3 ARG B 87 10.257 12.458 9.142 1.00 0.00 H new ATOM 0 HE ARG B 87 9.753 13.560 6.509 1.00 0.00 H new ATOM 0 HH11 ARG B 87 8.230 12.034 9.302 1.00 0.00 H new ATOM 0 HH12 ARG B 87 6.647 12.746 8.977 1.00 0.00 H new ATOM 0 HH21 ARG B 87 7.711 14.466 6.087 1.00 0.00 H new ATOM 0 HH22 ARG B 87 6.353 14.119 7.163 1.00 0.00 H new ATOM 1418 N ASP B 88 13.796 8.271 9.107 1.00 0.00 N ATOM 1419 CA ASP B 88 14.934 7.460 9.518 1.00 0.00 C ATOM 1420 C ASP B 88 15.328 6.516 8.387 1.00 0.00 C ATOM 1421 O ASP B 88 16.435 5.979 8.355 1.00 0.00 O ATOM 1422 CB ASP B 88 14.573 6.664 10.781 1.00 0.00 C ATOM 1423 CG ASP B 88 15.725 5.842 11.331 1.00 0.00 C ATOM 1424 OD1 ASP B 88 16.575 6.409 12.060 1.00 0.00 O ATOM 1425 OD2 ASP B 88 15.773 4.620 11.071 1.00 0.00 O ATOM 0 H ASP B 88 12.908 7.989 9.523 1.00 0.00 H new ATOM 0 HA ASP B 88 15.781 8.108 9.743 1.00 0.00 H new ATOM 0 HB2 ASP B 88 14.231 7.356 11.551 1.00 0.00 H new ATOM 0 HB3 ASP B 88 13.739 6.000 10.556 1.00 0.00 H new ATOM 1430 N ILE B 89 14.412 6.342 7.443 1.00 0.00 N ATOM 1431 CA ILE B 89 14.609 5.416 6.343 1.00 0.00 C ATOM 1432 C ILE B 89 14.713 6.164 5.019 1.00 0.00 C ATOM 1433 O ILE B 89 13.968 7.113 4.768 1.00 0.00 O ATOM 1434 CB ILE B 89 13.442 4.410 6.264 1.00 0.00 C ATOM 1435 CG1 ILE B 89 13.242 3.736 7.621 1.00 0.00 C ATOM 1436 CG2 ILE B 89 13.695 3.368 5.178 1.00 0.00 C ATOM 1437 CD1 ILE B 89 12.068 2.788 7.657 1.00 0.00 C ATOM 0 H ILE B 89 13.520 6.836 7.421 1.00 0.00 H new ATOM 0 HA ILE B 89 15.539 4.878 6.526 1.00 0.00 H new ATOM 0 HB ILE B 89 12.533 4.952 6.003 1.00 0.00 H new ATOM 0 HG12 ILE B 89 14.148 3.189 7.883 1.00 0.00 H new ATOM 0 HG13 ILE B 89 13.102 4.504 8.382 1.00 0.00 H new ATOM 0 HG21 ILE B 89 12.859 2.670 5.142 1.00 0.00 H new ATOM 0 HG22 ILE B 89 13.795 3.865 4.213 1.00 0.00 H new ATOM 0 HG23 ILE B 89 14.612 2.824 5.403 1.00 0.00 H new ATOM 0 HD11 ILE B 89 11.987 2.347 8.650 1.00 0.00 H new ATOM 0 HD12 ILE B 89 11.153 3.333 7.427 1.00 0.00 H new ATOM 0 HD13 ILE B 89 12.215 1.998 6.920 1.00 0.00 H new ATOM 1449 N VAL B 90 15.650 5.741 4.187 1.00 0.00 N ATOM 1450 CA VAL B 90 15.791 6.294 2.848 1.00 0.00 C ATOM 1451 C VAL B 90 14.953 5.480 1.873 1.00 0.00 C ATOM 1452 O VAL B 90 15.228 4.303 1.644 1.00 0.00 O ATOM 1453 CB VAL B 90 17.261 6.291 2.378 1.00 0.00 C ATOM 1454 CG1 VAL B 90 17.384 6.901 0.987 1.00 0.00 C ATOM 1455 CG2 VAL B 90 18.144 7.031 3.371 1.00 0.00 C ATOM 0 H VAL B 90 16.327 5.014 4.415 1.00 0.00 H new ATOM 0 HA VAL B 90 15.447 7.328 2.877 1.00 0.00 H new ATOM 0 HB VAL B 90 17.600 5.256 2.326 1.00 0.00 H new ATOM 0 HG11 VAL B 90 18.428 6.889 0.675 1.00 0.00 H new ATOM 0 HG12 VAL B 90 16.788 6.322 0.282 1.00 0.00 H new ATOM 0 HG13 VAL B 90 17.024 7.929 1.008 1.00 0.00 H new ATOM 0 HG21 VAL B 90 19.176 7.017 3.021 1.00 0.00 H new ATOM 0 HG22 VAL B 90 17.805 8.063 3.461 1.00 0.00 H new ATOM 0 HG23 VAL B 90 18.085 6.544 4.344 1.00 0.00 H new ATOM 1465 N VAL B 91 13.926 6.096 1.314 1.00 0.00 N ATOM 1466 CA VAL B 91 13.012 5.389 0.438 1.00 0.00 C ATOM 1467 C VAL B 91 12.908 6.076 -0.921 1.00 0.00 C ATOM 1468 O VAL B 91 12.809 7.299 -1.010 1.00 0.00 O ATOM 1469 CB VAL B 91 11.615 5.251 1.092 1.00 0.00 C ATOM 1470 CG1 VAL B 91 11.142 6.574 1.666 1.00 0.00 C ATOM 1471 CG2 VAL B 91 10.601 4.718 0.097 1.00 0.00 C ATOM 0 H VAL B 91 13.705 7.082 1.451 1.00 0.00 H new ATOM 0 HA VAL B 91 13.413 4.388 0.278 1.00 0.00 H new ATOM 0 HB VAL B 91 11.706 4.538 1.911 1.00 0.00 H new ATOM 0 HG11 VAL B 91 10.159 6.444 2.118 1.00 0.00 H new ATOM 0 HG12 VAL B 91 11.847 6.915 2.424 1.00 0.00 H new ATOM 0 HG13 VAL B 91 11.080 7.315 0.869 1.00 0.00 H new ATOM 0 HG21 VAL B 91 9.628 4.630 0.581 1.00 0.00 H new ATOM 0 HG22 VAL B 91 10.526 5.403 -0.748 1.00 0.00 H new ATOM 0 HG23 VAL B 91 10.920 3.738 -0.258 1.00 0.00 H new ATOM 1481 N ASN B 92 12.969 5.273 -1.973 1.00 0.00 N ATOM 1482 CA ASN B 92 12.873 5.766 -3.342 1.00 0.00 C ATOM 1483 C ASN B 92 12.057 4.809 -4.190 1.00 0.00 C ATOM 1484 O ASN B 92 11.819 3.673 -3.784 1.00 0.00 O ATOM 1485 CB ASN B 92 14.257 5.943 -3.969 1.00 0.00 C ATOM 1486 CG ASN B 92 15.344 5.191 -3.232 1.00 0.00 C ATOM 1487 OD1 ASN B 92 15.387 3.887 -3.423 1.00 0.00 O flip ATOM 1488 ND2 ASN B 92 16.109 5.772 -2.465 1.00 0.00 N flip ATOM 0 H ASN B 92 13.086 4.262 -1.903 1.00 0.00 H new ATOM 0 HA ASN B 92 12.380 6.738 -3.308 1.00 0.00 H new ATOM 0 HB2 ASN B 92 14.226 5.603 -5.004 1.00 0.00 H new ATOM 0 HB3 ASN B 92 14.507 7.004 -3.989 1.00 0.00 H new ATOM 0 HD21 ASN B 92 16.042 6.783 -2.346 1.00 0.00 H new ATOM 0 HD22 ASN B 92 16.811 5.243 -1.947 1.00 0.00 H new ATOM 1495 N ALA B 93 11.669 5.250 -5.379 1.00 0.00 N ATOM 1496 CA ALA B 93 10.832 4.451 -6.272 1.00 0.00 C ATOM 1497 C ALA B 93 11.513 3.142 -6.656 1.00 0.00 C ATOM 1498 O ALA B 93 10.857 2.160 -6.999 1.00 0.00 O ATOM 1499 CB ALA B 93 10.499 5.250 -7.520 1.00 0.00 C ATOM 0 H ALA B 93 11.922 6.165 -5.752 1.00 0.00 H new ATOM 0 HA ALA B 93 9.913 4.205 -5.740 1.00 0.00 H new ATOM 0 HB1 ALA B 93 9.875 4.649 -8.181 1.00 0.00 H new ATOM 0 HB2 ALA B 93 9.962 6.156 -7.239 1.00 0.00 H new ATOM 0 HB3 ALA B 93 11.420 5.519 -8.036 1.00 0.00 H new ATOM 1505 N ALA B 94 12.831 3.135 -6.571 1.00 0.00 N ATOM 1506 CA ALA B 94 13.623 1.970 -6.956 1.00 0.00 C ATOM 1507 C ALA B 94 13.705 0.963 -5.815 1.00 0.00 C ATOM 1508 O ALA B 94 14.179 -0.158 -5.988 1.00 0.00 O ATOM 1509 CB ALA B 94 15.016 2.405 -7.367 1.00 0.00 C ATOM 0 H ALA B 94 13.382 3.926 -6.237 1.00 0.00 H new ATOM 0 HA ALA B 94 13.132 1.487 -7.801 1.00 0.00 H new ATOM 0 HB1 ALA B 94 15.601 1.531 -7.653 1.00 0.00 H new ATOM 0 HB2 ALA B 94 14.949 3.089 -8.213 1.00 0.00 H new ATOM 0 HB3 ALA B 94 15.501 2.909 -6.531 1.00 0.00 H new ATOM 1515 N ASP B 95 13.246 1.382 -4.651 1.00 0.00 N ATOM 1516 CA ASP B 95 13.314 0.558 -3.450 1.00 0.00 C ATOM 1517 C ASP B 95 11.907 0.179 -2.996 1.00 0.00 C ATOM 1518 O ASP B 95 11.707 -0.799 -2.277 1.00 0.00 O ATOM 1519 CB ASP B 95 14.053 1.337 -2.358 1.00 0.00 C ATOM 1520 CG ASP B 95 14.340 0.531 -1.111 1.00 0.00 C ATOM 1521 OD1 ASP B 95 14.955 -0.553 -1.215 1.00 0.00 O ATOM 1522 OD2 ASP B 95 13.996 1.007 -0.014 1.00 0.00 O ATOM 0 H ASP B 95 12.817 2.296 -4.507 1.00 0.00 H new ATOM 0 HA ASP B 95 13.857 -0.364 -3.659 1.00 0.00 H new ATOM 0 HB2 ASP B 95 14.995 1.706 -2.764 1.00 0.00 H new ATOM 0 HB3 ASP B 95 13.460 2.210 -2.085 1.00 0.00 H new ATOM 1527 N ILE B 96 10.939 0.967 -3.444 1.00 0.00 N ATOM 1528 CA ILE B 96 9.529 0.730 -3.160 1.00 0.00 C ATOM 1529 C ILE B 96 8.979 -0.422 -3.998 1.00 0.00 C ATOM 1530 O ILE B 96 8.963 -0.359 -5.231 1.00 0.00 O ATOM 1531 CB ILE B 96 8.719 2.006 -3.450 1.00 0.00 C ATOM 1532 CG1 ILE B 96 9.103 3.105 -2.470 1.00 0.00 C ATOM 1533 CG2 ILE B 96 7.222 1.740 -3.381 1.00 0.00 C ATOM 1534 CD1 ILE B 96 8.661 4.476 -2.916 1.00 0.00 C ATOM 0 H ILE B 96 11.110 1.793 -4.018 1.00 0.00 H new ATOM 0 HA ILE B 96 9.438 0.462 -2.107 1.00 0.00 H new ATOM 0 HB ILE B 96 8.955 2.331 -4.463 1.00 0.00 H new ATOM 0 HG12 ILE B 96 8.663 2.886 -1.497 1.00 0.00 H new ATOM 0 HG13 ILE B 96 10.185 3.104 -2.338 1.00 0.00 H new ATOM 0 HG21 ILE B 96 6.679 2.661 -3.591 1.00 0.00 H new ATOM 0 HG22 ILE B 96 6.952 0.984 -4.118 1.00 0.00 H new ATOM 0 HG23 ILE B 96 6.961 1.384 -2.384 1.00 0.00 H new ATOM 0 HD11 ILE B 96 8.965 5.215 -2.175 1.00 0.00 H new ATOM 0 HD12 ILE B 96 9.122 4.713 -3.875 1.00 0.00 H new ATOM 0 HD13 ILE B 96 7.576 4.492 -3.021 1.00 0.00 H new ATOM 1546 N LYS B 97 8.536 -1.470 -3.321 1.00 0.00 N ATOM 1547 CA LYS B 97 7.958 -2.632 -3.981 1.00 0.00 C ATOM 1548 C LYS B 97 6.473 -2.732 -3.639 1.00 0.00 C ATOM 1549 O LYS B 97 6.116 -3.051 -2.503 1.00 0.00 O ATOM 1550 CB LYS B 97 8.681 -3.906 -3.530 1.00 0.00 C ATOM 1551 CG LYS B 97 10.188 -3.743 -3.369 1.00 0.00 C ATOM 1552 CD LYS B 97 10.877 -3.350 -4.670 1.00 0.00 C ATOM 1553 CE LYS B 97 10.887 -4.493 -5.673 1.00 0.00 C ATOM 1554 NZ LYS B 97 11.659 -5.664 -5.176 1.00 0.00 N ATOM 0 H LYS B 97 8.566 -1.540 -2.304 1.00 0.00 H new ATOM 0 HA LYS B 97 8.073 -2.523 -5.059 1.00 0.00 H new ATOM 0 HB2 LYS B 97 8.258 -4.234 -2.580 1.00 0.00 H new ATOM 0 HB3 LYS B 97 8.487 -4.697 -4.255 1.00 0.00 H new ATOM 0 HG2 LYS B 97 10.389 -2.985 -2.612 1.00 0.00 H new ATOM 0 HG3 LYS B 97 10.614 -4.678 -3.004 1.00 0.00 H new ATOM 0 HD2 LYS B 97 10.368 -2.490 -5.105 1.00 0.00 H new ATOM 0 HD3 LYS B 97 11.901 -3.042 -4.460 1.00 0.00 H new ATOM 0 HE2 LYS B 97 9.862 -4.798 -5.885 1.00 0.00 H new ATOM 0 HE3 LYS B 97 11.318 -4.147 -6.613 1.00 0.00 H new ATOM 0 HZ1 LYS B 97 12.197 -6.083 -5.961 1.00 0.00 H new ATOM 0 HZ2 LYS B 97 12.316 -5.356 -4.431 1.00 0.00 H new ATOM 0 HZ3 LYS B 97 11.004 -6.372 -4.788 1.00 0.00 H new ATOM 1568 N ILE B 98 5.614 -2.436 -4.606 1.00 0.00 N ATOM 1569 CA ILE B 98 4.173 -2.447 -4.381 1.00 0.00 C ATOM 1570 C ILE B 98 3.499 -3.604 -5.119 1.00 0.00 C ATOM 1571 O ILE B 98 3.581 -3.707 -6.347 1.00 0.00 O ATOM 1572 CB ILE B 98 3.533 -1.117 -4.830 1.00 0.00 C ATOM 1573 CG1 ILE B 98 4.219 0.053 -4.128 1.00 0.00 C ATOM 1574 CG2 ILE B 98 2.040 -1.108 -4.538 1.00 0.00 C ATOM 1575 CD1 ILE B 98 3.639 1.401 -4.484 1.00 0.00 C ATOM 0 H ILE B 98 5.890 -2.185 -5.555 1.00 0.00 H new ATOM 0 HA ILE B 98 4.020 -2.577 -3.310 1.00 0.00 H new ATOM 0 HB ILE B 98 3.667 -1.014 -5.907 1.00 0.00 H new ATOM 0 HG12 ILE B 98 4.148 -0.090 -3.050 1.00 0.00 H new ATOM 0 HG13 ILE B 98 5.279 0.046 -4.381 1.00 0.00 H new ATOM 0 HG21 ILE B 98 1.611 -0.160 -4.863 1.00 0.00 H new ATOM 0 HG22 ILE B 98 1.560 -1.927 -5.074 1.00 0.00 H new ATOM 0 HG23 ILE B 98 1.878 -1.231 -3.467 1.00 0.00 H new ATOM 0 HD11 ILE B 98 4.177 2.182 -3.947 1.00 0.00 H new ATOM 0 HD12 ILE B 98 3.735 1.566 -5.557 1.00 0.00 H new ATOM 0 HD13 ILE B 98 2.586 1.429 -4.205 1.00 0.00 H new ATOM 1587 N PHE B 99 2.832 -4.469 -4.362 1.00 0.00 N ATOM 1588 CA PHE B 99 2.133 -5.618 -4.921 1.00 0.00 C ATOM 1589 C PHE B 99 0.730 -5.732 -4.332 1.00 0.00 C ATOM 1590 O PHE B 99 0.563 -5.876 -3.121 1.00 0.00 O ATOM 1591 CB PHE B 99 2.907 -6.909 -4.645 1.00 0.00 C ATOM 1592 CG PHE B 99 4.175 -7.057 -5.438 1.00 0.00 C ATOM 1593 CD1 PHE B 99 5.347 -6.439 -5.031 1.00 0.00 C ATOM 1594 CD2 PHE B 99 4.195 -7.823 -6.592 1.00 0.00 C ATOM 1595 CE1 PHE B 99 6.511 -6.579 -5.761 1.00 0.00 C ATOM 1596 CE2 PHE B 99 5.356 -7.967 -7.326 1.00 0.00 C ATOM 1597 CZ PHE B 99 6.515 -7.345 -6.909 1.00 0.00 C ATOM 0 H PHE B 99 2.761 -4.393 -3.347 1.00 0.00 H new ATOM 0 HA PHE B 99 2.058 -5.471 -5.998 1.00 0.00 H new ATOM 0 HB2 PHE B 99 3.150 -6.952 -3.583 1.00 0.00 H new ATOM 0 HB3 PHE B 99 2.259 -7.759 -4.858 1.00 0.00 H new ATOM 0 HD1 PHE B 99 5.350 -5.841 -4.132 1.00 0.00 H new ATOM 0 HD2 PHE B 99 3.291 -8.314 -6.922 1.00 0.00 H new ATOM 0 HE1 PHE B 99 7.417 -6.090 -5.434 1.00 0.00 H new ATOM 0 HE2 PHE B 99 5.357 -8.566 -8.225 1.00 0.00 H new ATOM 0 HZ PHE B 99 7.424 -7.458 -7.480 1.00 0.00 H new ATOM 1607 N HIS B 100 -0.278 -5.659 -5.187 1.00 0.00 N ATOM 1608 CA HIS B 100 -1.663 -5.770 -4.744 1.00 0.00 C ATOM 1609 C HIS B 100 -2.210 -7.160 -5.037 1.00 0.00 C ATOM 1610 O HIS B 100 -2.367 -7.540 -6.195 1.00 0.00 O ATOM 1611 CB HIS B 100 -2.545 -4.713 -5.426 1.00 0.00 C ATOM 1612 CG HIS B 100 -4.007 -4.832 -5.090 1.00 0.00 C ATOM 1613 ND1 HIS B 100 -4.997 -4.947 -6.046 1.00 0.00 N ATOM 1614 CD2 HIS B 100 -4.643 -4.854 -3.891 1.00 0.00 C ATOM 1615 CE1 HIS B 100 -6.172 -5.038 -5.449 1.00 0.00 C ATOM 1616 NE2 HIS B 100 -5.985 -4.986 -4.146 1.00 0.00 N ATOM 0 H HIS B 100 -0.165 -5.523 -6.192 1.00 0.00 H new ATOM 0 HA HIS B 100 -1.682 -5.599 -3.668 1.00 0.00 H new ATOM 0 HB2 HIS B 100 -2.195 -3.721 -5.138 1.00 0.00 H new ATOM 0 HB3 HIS B 100 -2.422 -4.793 -6.506 1.00 0.00 H new ATOM 0 HD1 HIS B 100 -4.845 -4.960 -7.055 1.00 0.00 H new ATOM 0 HD2 HIS B 100 -4.180 -4.781 -2.918 1.00 0.00 H new ATOM 0 HE1 HIS B 100 -7.126 -5.138 -5.946 1.00 0.00 H new ATOM 1625 N ILE B 101 -2.504 -7.906 -3.989 1.00 0.00 N ATOM 1626 CA ILE B 101 -3.133 -9.206 -4.138 1.00 0.00 C ATOM 1627 C ILE B 101 -4.646 -9.047 -4.116 1.00 0.00 C ATOM 1628 O ILE B 101 -5.239 -8.752 -3.079 1.00 0.00 O ATOM 1629 CB ILE B 101 -2.686 -10.190 -3.038 1.00 0.00 C ATOM 1630 CG1 ILE B 101 -1.175 -10.404 -3.111 1.00 0.00 C ATOM 1631 CG2 ILE B 101 -3.411 -11.523 -3.174 1.00 0.00 C ATOM 1632 CD1 ILE B 101 -0.653 -11.331 -2.043 1.00 0.00 C ATOM 0 H ILE B 101 -2.317 -7.634 -3.024 1.00 0.00 H new ATOM 0 HA ILE B 101 -2.820 -9.623 -5.095 1.00 0.00 H new ATOM 0 HB ILE B 101 -2.940 -9.760 -2.069 1.00 0.00 H new ATOM 0 HG12 ILE B 101 -0.919 -10.808 -4.090 1.00 0.00 H new ATOM 0 HG13 ILE B 101 -0.674 -9.440 -3.023 1.00 0.00 H new ATOM 0 HG21 ILE B 101 -3.079 -12.200 -2.387 1.00 0.00 H new ATOM 0 HG22 ILE B 101 -4.486 -11.363 -3.085 1.00 0.00 H new ATOM 0 HG23 ILE B 101 -3.188 -11.961 -4.147 1.00 0.00 H new ATOM 0 HD11 ILE B 101 0.426 -11.440 -2.151 1.00 0.00 H new ATOM 0 HD12 ILE B 101 -0.879 -10.918 -1.060 1.00 0.00 H new ATOM 0 HD13 ILE B 101 -1.128 -12.307 -2.144 1.00 0.00 H new ATOM 1644 N ARG B 102 -5.253 -9.231 -5.279 1.00 0.00 N ATOM 1645 CA ARG B 102 -6.683 -9.007 -5.456 1.00 0.00 C ATOM 1646 C ARG B 102 -7.490 -10.061 -4.709 1.00 0.00 C ATOM 1647 O ARG B 102 -8.499 -9.756 -4.078 1.00 0.00 O ATOM 1648 CB ARG B 102 -7.037 -9.043 -6.946 1.00 0.00 C ATOM 1649 CG ARG B 102 -6.163 -8.143 -7.806 1.00 0.00 C ATOM 1650 CD ARG B 102 -6.568 -8.201 -9.272 1.00 0.00 C ATOM 1651 NE ARG B 102 -7.890 -7.619 -9.502 1.00 0.00 N ATOM 1652 CZ ARG B 102 -8.649 -7.884 -10.564 1.00 0.00 C ATOM 1653 NH1 ARG B 102 -8.241 -8.761 -11.470 1.00 0.00 N ATOM 1654 NH2 ARG B 102 -9.821 -7.274 -10.718 1.00 0.00 N ATOM 0 H ARG B 102 -4.772 -9.538 -6.124 1.00 0.00 H new ATOM 0 HA ARG B 102 -6.931 -8.027 -5.049 1.00 0.00 H new ATOM 0 HB2 ARG B 102 -6.951 -10.068 -7.306 1.00 0.00 H new ATOM 0 HB3 ARG B 102 -8.079 -8.748 -7.070 1.00 0.00 H new ATOM 0 HG2 ARG B 102 -6.235 -7.116 -7.449 1.00 0.00 H new ATOM 0 HG3 ARG B 102 -5.120 -8.443 -7.704 1.00 0.00 H new ATOM 0 HD2 ARG B 102 -5.829 -7.670 -9.873 1.00 0.00 H new ATOM 0 HD3 ARG B 102 -6.566 -9.238 -9.607 1.00 0.00 H new ATOM 0 HE ARG B 102 -8.254 -6.969 -8.805 1.00 0.00 H new ATOM 0 HH11 ARG B 102 -7.345 -9.234 -11.355 1.00 0.00 H new ATOM 0 HH12 ARG B 102 -8.823 -8.963 -12.283 1.00 0.00 H new ATOM 0 HH21 ARG B 102 -10.141 -6.601 -10.022 1.00 0.00 H new ATOM 0 HH22 ARG B 102 -10.400 -7.479 -11.532 1.00 0.00 H new ATOM 1668 N LYS B 103 -7.013 -11.296 -4.778 1.00 0.00 N ATOM 1669 CA LYS B 103 -7.669 -12.436 -4.145 1.00 0.00 C ATOM 1670 C LYS B 103 -7.806 -12.225 -2.639 1.00 0.00 C ATOM 1671 O LYS B 103 -8.873 -12.430 -2.065 1.00 0.00 O ATOM 1672 CB LYS B 103 -6.853 -13.701 -4.445 1.00 0.00 C ATOM 1673 CG LYS B 103 -7.446 -15.004 -3.915 1.00 0.00 C ATOM 1674 CD LYS B 103 -7.099 -15.264 -2.452 1.00 0.00 C ATOM 1675 CE LYS B 103 -5.597 -15.399 -2.235 1.00 0.00 C ATOM 1676 NZ LYS B 103 -4.997 -16.451 -3.097 1.00 0.00 N ATOM 0 H LYS B 103 -6.157 -11.538 -5.276 1.00 0.00 H new ATOM 0 HA LYS B 103 -8.676 -12.543 -4.549 1.00 0.00 H new ATOM 0 HB2 LYS B 103 -6.734 -13.789 -5.525 1.00 0.00 H new ATOM 0 HB3 LYS B 103 -5.855 -13.578 -4.024 1.00 0.00 H new ATOM 0 HG2 LYS B 103 -8.530 -14.975 -4.026 1.00 0.00 H new ATOM 0 HG3 LYS B 103 -7.085 -15.835 -4.522 1.00 0.00 H new ATOM 0 HD2 LYS B 103 -7.482 -14.448 -1.839 1.00 0.00 H new ATOM 0 HD3 LYS B 103 -7.596 -16.175 -2.118 1.00 0.00 H new ATOM 0 HE2 LYS B 103 -5.115 -14.444 -2.442 1.00 0.00 H new ATOM 0 HE3 LYS B 103 -5.403 -15.635 -1.189 1.00 0.00 H new ATOM 0 HZ1 LYS B 103 -3.975 -16.507 -2.915 1.00 0.00 H new ATOM 0 HZ2 LYS B 103 -5.438 -17.368 -2.883 1.00 0.00 H new ATOM 0 HZ3 LYS B 103 -5.158 -16.214 -4.097 1.00 0.00 H new ATOM 1690 N GLU B 104 -6.717 -11.808 -2.012 1.00 0.00 N ATOM 1691 CA GLU B 104 -6.683 -11.629 -0.568 1.00 0.00 C ATOM 1692 C GLU B 104 -7.169 -10.230 -0.199 1.00 0.00 C ATOM 1693 O GLU B 104 -7.277 -9.885 0.978 1.00 0.00 O ATOM 1694 CB GLU B 104 -5.255 -11.856 -0.054 1.00 0.00 C ATOM 1695 CG GLU B 104 -5.145 -11.978 1.459 1.00 0.00 C ATOM 1696 CD GLU B 104 -5.920 -13.159 2.004 1.00 0.00 C ATOM 1697 OE1 GLU B 104 -5.475 -14.307 1.805 1.00 0.00 O ATOM 1698 OE2 GLU B 104 -6.968 -12.947 2.643 1.00 0.00 O ATOM 0 H GLU B 104 -5.840 -11.586 -2.483 1.00 0.00 H new ATOM 0 HA GLU B 104 -7.346 -12.356 -0.100 1.00 0.00 H new ATOM 0 HB2 GLU B 104 -4.857 -12.763 -0.510 1.00 0.00 H new ATOM 0 HB3 GLU B 104 -4.626 -11.030 -0.387 1.00 0.00 H new ATOM 0 HG2 GLU B 104 -4.096 -12.077 1.737 1.00 0.00 H new ATOM 0 HG3 GLU B 104 -5.512 -11.062 1.922 1.00 0.00 H new ATOM 1705 N ARG B 105 -7.460 -9.432 -1.227 1.00 0.00 N ATOM 1706 CA ARG B 105 -7.919 -8.056 -1.054 1.00 0.00 C ATOM 1707 C ARG B 105 -6.885 -7.234 -0.293 1.00 0.00 C ATOM 1708 O ARG B 105 -7.228 -6.257 0.373 1.00 0.00 O ATOM 1709 CB ARG B 105 -9.257 -8.021 -0.299 1.00 0.00 C ATOM 1710 CG ARG B 105 -10.363 -8.839 -0.947 1.00 0.00 C ATOM 1711 CD ARG B 105 -10.773 -8.263 -2.288 1.00 0.00 C ATOM 1712 NE ARG B 105 -11.890 -8.996 -2.875 1.00 0.00 N ATOM 1713 CZ ARG B 105 -12.639 -8.537 -3.873 1.00 0.00 C ATOM 1714 NH1 ARG B 105 -12.390 -7.344 -4.401 1.00 0.00 N ATOM 1715 NH2 ARG B 105 -13.642 -9.268 -4.342 1.00 0.00 N ATOM 0 H ARG B 105 -7.384 -9.722 -2.202 1.00 0.00 H new ATOM 0 HA ARG B 105 -8.057 -7.624 -2.045 1.00 0.00 H new ATOM 0 HB2 ARG B 105 -9.098 -8.386 0.716 1.00 0.00 H new ATOM 0 HB3 ARG B 105 -9.587 -6.986 -0.217 1.00 0.00 H new ATOM 0 HG2 ARG B 105 -10.025 -9.867 -1.080 1.00 0.00 H new ATOM 0 HG3 ARG B 105 -11.228 -8.871 -0.285 1.00 0.00 H new ATOM 0 HD2 ARG B 105 -11.050 -7.216 -2.164 1.00 0.00 H new ATOM 0 HD3 ARG B 105 -9.923 -8.289 -2.970 1.00 0.00 H new ATOM 0 HE ARG B 105 -12.110 -9.917 -2.496 1.00 0.00 H new ATOM 0 HH11 ARG B 105 -11.622 -6.777 -4.041 1.00 0.00 H new ATOM 0 HH12 ARG B 105 -12.966 -6.995 -5.167 1.00 0.00 H new ATOM 0 HH21 ARG B 105 -13.839 -10.183 -3.937 1.00 0.00 H new ATOM 0 HH22 ARG B 105 -14.216 -8.915 -5.108 1.00 0.00 H new ATOM 1729 N THR B 106 -5.613 -7.610 -0.405 1.00 0.00 N ATOM 1730 CA THR B 106 -4.591 -7.008 0.427 1.00 0.00 C ATOM 1731 C THR B 106 -3.472 -6.412 -0.418 1.00 0.00 C ATOM 1732 O THR B 106 -3.001 -7.027 -1.376 1.00 0.00 O ATOM 1733 CB THR B 106 -4.009 -8.037 1.417 1.00 0.00 C ATOM 1734 OG1 THR B 106 -5.067 -8.651 2.169 1.00 0.00 O ATOM 1735 CG2 THR B 106 -3.034 -7.376 2.379 1.00 0.00 C ATOM 0 H THR B 106 -5.275 -8.319 -1.056 1.00 0.00 H new ATOM 0 HA THR B 106 -5.063 -6.205 0.992 1.00 0.00 H new ATOM 0 HB THR B 106 -3.478 -8.794 0.840 1.00 0.00 H new ATOM 0 HG1 THR B 106 -5.736 -9.018 1.553 1.00 0.00 H new ATOM 0 HG21 THR B 106 -2.638 -8.123 3.066 1.00 0.00 H new ATOM 0 HG22 THR B 106 -2.214 -6.930 1.816 1.00 0.00 H new ATOM 0 HG23 THR B 106 -3.550 -6.600 2.945 1.00 0.00 H new ATOM 1743 N LEU B 107 -3.073 -5.203 -0.071 1.00 0.00 N ATOM 1744 CA LEU B 107 -1.979 -4.533 -0.750 1.00 0.00 C ATOM 1745 C LEU B 107 -0.722 -4.581 0.109 1.00 0.00 C ATOM 1746 O LEU B 107 -0.727 -4.142 1.261 1.00 0.00 O ATOM 1747 CB LEU B 107 -2.360 -3.085 -1.073 1.00 0.00 C ATOM 1748 CG LEU B 107 -1.239 -2.217 -1.654 1.00 0.00 C ATOM 1749 CD1 LEU B 107 -0.650 -2.851 -2.899 1.00 0.00 C ATOM 1750 CD2 LEU B 107 -1.765 -0.833 -1.982 1.00 0.00 C ATOM 0 H LEU B 107 -3.494 -4.661 0.683 1.00 0.00 H new ATOM 0 HA LEU B 107 -1.776 -5.050 -1.688 1.00 0.00 H new ATOM 0 HB2 LEU B 107 -3.190 -3.096 -1.780 1.00 0.00 H new ATOM 0 HB3 LEU B 107 -2.725 -2.613 -0.161 1.00 0.00 H new ATOM 0 HG LEU B 107 -0.453 -2.135 -0.904 1.00 0.00 H new ATOM 0 HD11 LEU B 107 0.143 -2.214 -3.291 1.00 0.00 H new ATOM 0 HD12 LEU B 107 -0.240 -3.830 -2.650 1.00 0.00 H new ATOM 0 HD13 LEU B 107 -1.429 -2.965 -3.653 1.00 0.00 H new ATOM 0 HD21 LEU B 107 -0.959 -0.226 -2.394 1.00 0.00 H new ATOM 0 HD22 LEU B 107 -2.569 -0.913 -2.713 1.00 0.00 H new ATOM 0 HD23 LEU B 107 -2.145 -0.364 -1.075 1.00 0.00 H new ATOM 1762 N TYR B 108 0.340 -5.133 -0.454 1.00 0.00 N ATOM 1763 CA TYR B 108 1.599 -5.279 0.256 1.00 0.00 C ATOM 1764 C TYR B 108 2.608 -4.241 -0.210 1.00 0.00 C ATOM 1765 O TYR B 108 2.893 -4.126 -1.405 1.00 0.00 O ATOM 1766 CB TYR B 108 2.173 -6.679 0.041 1.00 0.00 C ATOM 1767 CG TYR B 108 1.287 -7.792 0.545 1.00 0.00 C ATOM 1768 CD1 TYR B 108 0.086 -8.084 -0.081 1.00 0.00 C ATOM 1769 CD2 TYR B 108 1.650 -8.547 1.651 1.00 0.00 C ATOM 1770 CE1 TYR B 108 -0.730 -9.093 0.376 1.00 0.00 C ATOM 1771 CE2 TYR B 108 0.839 -9.563 2.116 1.00 0.00 C ATOM 1772 CZ TYR B 108 -0.351 -9.833 1.475 1.00 0.00 C ATOM 1773 OH TYR B 108 -1.165 -10.846 1.931 1.00 0.00 O ATOM 0 H TYR B 108 0.354 -5.490 -1.409 1.00 0.00 H new ATOM 0 HA TYR B 108 1.403 -5.128 1.318 1.00 0.00 H new ATOM 0 HB2 TYR B 108 2.353 -6.827 -1.024 1.00 0.00 H new ATOM 0 HB3 TYR B 108 3.140 -6.744 0.540 1.00 0.00 H new ATOM 0 HD1 TYR B 108 -0.215 -7.509 -0.944 1.00 0.00 H new ATOM 0 HD2 TYR B 108 2.581 -8.337 2.156 1.00 0.00 H new ATOM 0 HE1 TYR B 108 -1.664 -9.304 -0.124 1.00 0.00 H new ATOM 0 HE2 TYR B 108 1.135 -10.143 2.977 1.00 0.00 H new ATOM 0 HH TYR B 108 -1.666 -11.227 1.179 1.00 0.00 H new ATOM 1783 N ILE B 109 3.125 -3.477 0.735 1.00 0.00 N ATOM 1784 CA ILE B 109 4.171 -2.509 0.453 1.00 0.00 C ATOM 1785 C ILE B 109 5.467 -2.948 1.120 1.00 0.00 C ATOM 1786 O ILE B 109 5.514 -3.119 2.339 1.00 0.00 O ATOM 1787 CB ILE B 109 3.800 -1.105 0.977 1.00 0.00 C ATOM 1788 CG1 ILE B 109 2.410 -0.683 0.485 1.00 0.00 C ATOM 1789 CG2 ILE B 109 4.845 -0.078 0.560 1.00 0.00 C ATOM 1790 CD1 ILE B 109 2.294 -0.587 -1.019 1.00 0.00 C ATOM 0 H ILE B 109 2.835 -3.509 1.712 1.00 0.00 H new ATOM 0 HA ILE B 109 4.292 -2.459 -0.629 1.00 0.00 H new ATOM 0 HB ILE B 109 3.777 -1.152 2.066 1.00 0.00 H new ATOM 0 HG12 ILE B 109 1.673 -1.398 0.851 1.00 0.00 H new ATOM 0 HG13 ILE B 109 2.159 0.284 0.921 1.00 0.00 H new ATOM 0 HG21 ILE B 109 4.562 0.904 0.940 1.00 0.00 H new ATOM 0 HG22 ILE B 109 5.815 -0.360 0.968 1.00 0.00 H new ATOM 0 HG23 ILE B 109 4.906 -0.042 -0.528 1.00 0.00 H new ATOM 0 HD11 ILE B 109 1.282 -0.284 -1.287 1.00 0.00 H new ATOM 0 HD12 ILE B 109 3.005 0.150 -1.392 1.00 0.00 H new ATOM 0 HD13 ILE B 109 2.511 -1.558 -1.463 1.00 0.00 H new ATOM 1802 N TYR B 110 6.504 -3.151 0.329 1.00 0.00 N ATOM 1803 CA TYR B 110 7.805 -3.518 0.865 1.00 0.00 C ATOM 1804 C TYR B 110 8.823 -2.447 0.505 1.00 0.00 C ATOM 1805 O TYR B 110 8.965 -2.087 -0.663 1.00 0.00 O ATOM 1806 CB TYR B 110 8.268 -4.874 0.325 1.00 0.00 C ATOM 1807 CG TYR B 110 7.358 -6.041 0.661 1.00 0.00 C ATOM 1808 CD1 TYR B 110 6.247 -6.328 -0.123 1.00 0.00 C ATOM 1809 CD2 TYR B 110 7.625 -6.873 1.744 1.00 0.00 C ATOM 1810 CE1 TYR B 110 5.430 -7.406 0.164 1.00 0.00 C ATOM 1811 CE2 TYR B 110 6.811 -7.949 2.038 1.00 0.00 C ATOM 1812 CZ TYR B 110 5.716 -8.212 1.246 1.00 0.00 C ATOM 1813 OH TYR B 110 4.910 -9.291 1.528 1.00 0.00 O ATOM 0 H TYR B 110 6.473 -3.068 -0.687 1.00 0.00 H new ATOM 0 HA TYR B 110 7.718 -3.598 1.949 1.00 0.00 H new ATOM 0 HB2 TYR B 110 8.360 -4.805 -0.759 1.00 0.00 H new ATOM 0 HB3 TYR B 110 9.263 -5.084 0.717 1.00 0.00 H new ATOM 0 HD1 TYR B 110 6.018 -5.699 -0.970 1.00 0.00 H new ATOM 0 HD2 TYR B 110 8.485 -6.673 2.366 1.00 0.00 H new ATOM 0 HE1 TYR B 110 4.571 -7.616 -0.457 1.00 0.00 H new ATOM 0 HE2 TYR B 110 7.032 -8.581 2.885 1.00 0.00 H new ATOM 0 HH TYR B 110 5.202 -9.707 2.366 1.00 0.00 H new ATOM 1823 N ILE B 111 9.507 -1.925 1.507 1.00 0.00 N ATOM 1824 CA ILE B 111 10.505 -0.891 1.294 1.00 0.00 C ATOM 1825 C ILE B 111 11.777 -1.232 2.054 1.00 0.00 C ATOM 1826 O ILE B 111 12.703 -1.808 1.444 1.00 0.00 O ATOM 1827 CB ILE B 111 9.989 0.496 1.743 1.00 0.00 C ATOM 1828 CG1 ILE B 111 8.694 0.849 1.002 1.00 0.00 C ATOM 1829 CG2 ILE B 111 11.050 1.562 1.500 1.00 0.00 C ATOM 1830 CD1 ILE B 111 8.047 2.130 1.477 1.00 0.00 C ATOM 1831 OXT ILE B 111 11.840 -0.959 3.267 1.00 0.00 O ATOM 0 H ILE B 111 9.389 -2.202 2.482 1.00 0.00 H new ATOM 0 HA ILE B 111 10.715 -0.846 0.225 1.00 0.00 H new ATOM 0 HB ILE B 111 9.777 0.458 2.811 1.00 0.00 H new ATOM 0 HG12 ILE B 111 8.908 0.935 -0.063 1.00 0.00 H new ATOM 0 HG13 ILE B 111 7.985 0.030 1.120 1.00 0.00 H new ATOM 0 HG21 ILE B 111 10.671 2.532 1.821 1.00 0.00 H new ATOM 0 HG22 ILE B 111 11.948 1.317 2.067 1.00 0.00 H new ATOM 0 HG23 ILE B 111 11.291 1.600 0.438 1.00 0.00 H new ATOM 0 HD11 ILE B 111 7.137 2.312 0.905 1.00 0.00 H new ATOM 0 HD12 ILE B 111 7.800 2.042 2.535 1.00 0.00 H new ATOM 0 HD13 ILE B 111 8.737 2.961 1.334 1.00 0.00 H new TER 1843 ILE B 111