USER MOD reduce.3.24.130724 H: found=0, std=0, add=853, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 853 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 94 SER OG : rot -67:sc= 1.04 USER MOD Set 1.2: A 104 HIS : no HE2:sc= -1.67! C(o=-0.63!,f=-6.3!) USER MOD Set 2.1: A 53 MET CE :methyl 160:sc= -1.14 (180deg=-2.3!) USER MOD Set 2.2: A 57 MET CE :methyl -132:sc= -1.07 (180deg=-3.92!) USER MOD Set 3.1: A 7 MET CE :methyl -143:sc= -1.09 (180deg=-4.53!) USER MOD Set 3.2: A 41 SER OG : rot -160:sc= -0.165 USER MOD Set 4.1: A 25 MET CE :methyl -148:sc= 0 (180deg=-0.0073) USER MOD Set 4.2: A 74 GLN : amide:sc= -0.201 X(o=-0.2,f=-0.2) USER MOD Single : A 1 MET CE :methyl 156:sc= -0.0569 (180deg=-0.722) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -130:sc= -0.212 (180deg=-1.17) USER MOD Single : A 5 SER OG : rot 180:sc= -2.23! USER MOD Single : A 6 ASN : amide:sc= -0.401 X(o=-0.4,f=-0.1) USER MOD Single : A 8 LYS NZ :NH3+ -164:sc= -0.0937 (180deg=-0.567) USER MOD Single : A 11 THR OG1 : rot 35:sc= 0.775 USER MOD Single : A 14 LYS NZ :NH3+ -151:sc= -0.171 (180deg=-0.831) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -2.15 X(o=-2.1,f=-2.5!) USER MOD Single : A 18 ASN : amide:sc= -5.39! C(o=-5.4!,f=-11!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 155:sc= -0.956 (180deg=-2.68) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot -43:sc= -0.108! USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= 0.92 K(o=0.92,f=-0.77) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 CYS SG : rot 18:sc= -1.2 USER MOD Single : A 45 SER OG : rot -138:sc= -0.568 USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.256 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0276) USER MOD Single : A 52 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.175) USER MOD Single : A 54 SER OG : rot 180:sc= 0.00398 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 162:sc= -0.0041 (180deg=-0.282) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -1.36! K(o=-1.4!,f=-0.13) USER MOD Single : A 69 CYS SG : rot 180:sc= -1.13 USER MOD Single : A 77 SER OG : rot -29:sc= 0.711 USER MOD Single : A 79 SER OG : rot 180:sc= 0.022 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= -0.321 X(o=-0.32,f=-0.22) USER MOD Single : A 88 SER OG : rot 31:sc= 1.09 USER MOD Single : A 90 HIS : no HD1:sc= -4.05! C(o=-4.1!,f=-5!) USER MOD Single : A 91 SER OG : rot -134:sc= -1.15! USER MOD Single : A 93 SER OG : rot 100:sc= 0.849 USER MOD Single : A 100 LYS NZ :NH3+ -116:sc= 0.0233 (180deg=0) USER MOD Single : A 101 HIS : no HD1:sc= -1.71 K(o=-1.7,f=-2.6!) USER MOD Single : A 102 HIS : no HD1:sc= 0 X(o=0,f=-0.02) USER MOD Single : A 103 HIS : no HD1:sc= -1.2 K(o=-1.2,f=-2.3!) USER MOD Single : A 105 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 106 HIS : no HD1:sc= -0.0542 K(o=-0.054,f=-0.69) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 9.787 13.295 0.901 1.00 1.00 N ATOM 2 CA MET A 1 11.106 12.988 1.523 1.00 1.00 C ATOM 3 C MET A 1 11.409 11.503 1.346 1.00 1.00 C ATOM 4 O MET A 1 11.296 10.717 2.286 1.00 1.00 O ATOM 5 CB MET A 1 11.063 13.355 3.008 1.00 1.00 C ATOM 6 CG MET A 1 12.442 13.144 3.639 1.00 1.00 C ATOM 7 SD MET A 1 12.406 13.688 5.367 1.00 1.00 S ATOM 8 CE MET A 1 11.356 12.370 6.028 1.00 1.00 C ATOM 0 H1 MET A 1 9.575 14.306 1.018 1.00 1.00 H new ATOM 0 H2 MET A 1 9.819 13.063 -0.112 1.00 1.00 H new ATOM 0 H3 MET A 1 9.046 12.730 1.362 1.00 1.00 H new ATOM 0 HA MET A 1 11.893 13.569 1.042 1.00 1.00 H new ATOM 0 HB2 MET A 1 10.755 14.394 3.126 1.00 1.00 H new ATOM 0 HB3 MET A 1 10.321 12.743 3.521 1.00 1.00 H new ATOM 0 HG2 MET A 1 12.722 12.092 3.584 1.00 1.00 H new ATOM 0 HG3 MET A 1 13.196 13.704 3.086 1.00 1.00 H new ATOM 0 HE1 MET A 1 11.543 12.257 7.096 1.00 1.00 H new ATOM 0 HE2 MET A 1 10.308 12.625 5.868 1.00 1.00 H new ATOM 0 HE3 MET A 1 11.583 11.434 5.518 1.00 1.00 H new ATOM 20 N LYS A 2 11.810 11.141 0.127 1.00 1.00 N ATOM 21 CA LYS A 2 12.150 9.758 -0.202 1.00 1.00 C ATOM 22 C LYS A 2 11.277 8.762 0.564 1.00 1.00 C ATOM 23 O LYS A 2 11.798 7.942 1.319 1.00 1.00 O ATOM 24 CB LYS A 2 13.621 9.490 0.152 1.00 1.00 C ATOM 25 CG LYS A 2 14.547 10.497 -0.564 1.00 1.00 C ATOM 26 CD LYS A 2 14.697 11.790 0.256 1.00 1.00 C ATOM 27 CE LYS A 2 15.884 12.594 -0.281 1.00 1.00 C ATOM 28 NZ LYS A 2 17.138 11.815 -0.077 1.00 1.00 N ATOM 0 H LYS A 2 11.907 11.791 -0.653 1.00 1.00 H new ATOM 0 HA LYS A 2 11.978 9.623 -1.270 1.00 1.00 H new ATOM 0 HB2 LYS A 2 13.760 9.564 1.231 1.00 1.00 H new ATOM 0 HB3 LYS A 2 13.890 8.473 -0.135 1.00 1.00 H new ATOM 0 HG2 LYS A 2 15.527 10.047 -0.721 1.00 1.00 H new ATOM 0 HG3 LYS A 2 14.142 10.732 -1.549 1.00 1.00 H new ATOM 0 HD2 LYS A 2 13.784 12.382 0.194 1.00 1.00 H new ATOM 0 HD3 LYS A 2 14.851 11.551 1.308 1.00 1.00 H new ATOM 0 HE2 LYS A 2 15.744 12.808 -1.340 1.00 1.00 H new ATOM 0 HE3 LYS A 2 15.950 13.553 0.232 1.00 1.00 H new ATOM 0 HZ1 LYS A 2 17.851 12.418 0.380 1.00 1.00 H new ATOM 0 HZ2 LYS A 2 16.941 10.992 0.528 1.00 1.00 H new ATOM 0 HZ3 LYS A 2 17.498 11.490 -0.997 1.00 1.00 H new ATOM 42 N PRO A 3 9.977 8.815 0.405 1.00 1.00 N ATOM 43 CA PRO A 3 9.061 7.892 1.123 1.00 1.00 C ATOM 44 C PRO A 3 8.907 6.550 0.406 1.00 1.00 C ATOM 45 O PRO A 3 9.153 5.495 0.993 1.00 1.00 O ATOM 46 CB PRO A 3 7.743 8.672 1.145 1.00 1.00 C ATOM 47 CG PRO A 3 7.757 9.468 -0.126 1.00 1.00 C ATOM 48 CD PRO A 3 9.233 9.743 -0.469 1.00 1.00 C ATOM 0 HA PRO A 3 9.425 7.624 2.115 1.00 1.00 H new ATOM 0 HB2 PRO A 3 6.885 8.001 1.184 1.00 1.00 H new ATOM 0 HB3 PRO A 3 7.680 9.320 2.019 1.00 1.00 H new ATOM 0 HG2 PRO A 3 7.270 8.918 -0.931 1.00 1.00 H new ATOM 0 HG3 PRO A 3 7.209 10.402 -0.002 1.00 1.00 H new ATOM 0 HD2 PRO A 3 9.441 9.554 -1.522 1.00 1.00 H new ATOM 0 HD3 PRO A 3 9.503 10.781 -0.272 1.00 1.00 H new ATOM 56 N LEU A 4 8.495 6.590 -0.862 1.00 1.00 N ATOM 57 CA LEU A 4 8.309 5.366 -1.645 1.00 1.00 C ATOM 58 C LEU A 4 9.516 5.109 -2.552 1.00 1.00 C ATOM 59 O LEU A 4 9.522 4.149 -3.324 1.00 1.00 O ATOM 60 CB LEU A 4 7.041 5.480 -2.508 1.00 1.00 C ATOM 61 CG LEU A 4 5.768 5.190 -1.690 1.00 1.00 C ATOM 62 CD1 LEU A 4 5.743 3.726 -1.213 1.00 1.00 C ATOM 63 CD2 LEU A 4 5.671 6.133 -0.488 1.00 1.00 C ATOM 0 H LEU A 4 8.285 7.451 -1.367 1.00 1.00 H new ATOM 0 HA LEU A 4 8.207 4.533 -0.950 1.00 1.00 H new ATOM 0 HB2 LEU A 4 6.980 6.481 -2.934 1.00 1.00 H new ATOM 0 HB3 LEU A 4 7.105 4.782 -3.342 1.00 1.00 H new ATOM 0 HG LEU A 4 4.909 5.359 -2.339 1.00 1.00 H new ATOM 0 HD11 LEU A 4 4.835 3.546 -0.638 1.00 1.00 H new ATOM 0 HD12 LEU A 4 5.763 3.061 -2.077 1.00 1.00 H new ATOM 0 HD13 LEU A 4 6.614 3.533 -0.586 1.00 1.00 H new ATOM 0 HD21 LEU A 4 4.765 5.911 0.076 1.00 1.00 H new ATOM 0 HD22 LEU A 4 6.541 5.995 0.154 1.00 1.00 H new ATOM 0 HD23 LEU A 4 5.638 7.165 -0.837 1.00 1.00 H new ATOM 75 N SER A 5 10.511 5.985 -2.481 1.00 1.00 N ATOM 76 CA SER A 5 11.696 5.859 -3.328 1.00 1.00 C ATOM 77 C SER A 5 12.675 4.815 -2.799 1.00 1.00 C ATOM 78 O SER A 5 13.660 4.496 -3.464 1.00 1.00 O ATOM 79 CB SER A 5 12.406 7.211 -3.416 1.00 1.00 C ATOM 80 OG SER A 5 11.443 8.221 -3.681 1.00 1.00 O ATOM 0 H SER A 5 10.524 6.787 -1.850 1.00 1.00 H new ATOM 0 HA SER A 5 11.361 5.535 -4.313 1.00 1.00 H new ATOM 0 HB2 SER A 5 12.928 7.424 -2.483 1.00 1.00 H new ATOM 0 HB3 SER A 5 13.158 7.191 -4.205 1.00 1.00 H new ATOM 0 HG SER A 5 11.889 9.092 -3.738 1.00 1.00 H new ATOM 86 N ASN A 6 12.417 4.295 -1.602 1.00 1.00 N ATOM 87 CA ASN A 6 13.302 3.289 -0.997 1.00 1.00 C ATOM 88 C ASN A 6 12.593 1.949 -0.846 1.00 1.00 C ATOM 89 O ASN A 6 13.047 1.080 -0.104 1.00 1.00 O ATOM 90 CB ASN A 6 13.750 3.775 0.383 1.00 1.00 C ATOM 91 CG ASN A 6 12.534 4.029 1.267 1.00 1.00 C ATOM 92 OD1 ASN A 6 12.112 3.148 2.017 1.00 1.00 O ATOM 93 ND2 ASN A 6 11.933 5.187 1.217 1.00 1.00 N ATOM 0 H ASN A 6 11.610 4.547 -1.031 1.00 1.00 H new ATOM 0 HA ASN A 6 14.163 3.153 -1.652 1.00 1.00 H new ATOM 0 HB2 ASN A 6 14.398 3.031 0.847 1.00 1.00 H new ATOM 0 HB3 ASN A 6 14.335 4.689 0.283 1.00 1.00 H new ATOM 0 HD21 ASN A 6 11.114 5.362 1.799 1.00 1.00 H new ATOM 0 HD22 ASN A 6 12.283 5.917 0.596 1.00 1.00 H new ATOM 100 N MET A 7 11.462 1.798 -1.529 1.00 1.00 N ATOM 101 CA MET A 7 10.675 0.571 -1.430 1.00 1.00 C ATOM 102 C MET A 7 9.860 0.328 -2.700 1.00 1.00 C ATOM 103 O MET A 7 9.609 1.248 -3.480 1.00 1.00 O ATOM 104 CB MET A 7 9.723 0.696 -0.242 1.00 1.00 C ATOM 105 CG MET A 7 8.947 2.004 -0.361 1.00 1.00 C ATOM 106 SD MET A 7 8.018 2.309 1.161 1.00 1.00 S ATOM 107 CE MET A 7 6.610 1.216 0.845 1.00 1.00 C ATOM 0 H MET A 7 11.071 2.504 -2.153 1.00 1.00 H new ATOM 0 HA MET A 7 11.356 -0.270 -1.297 1.00 1.00 H new ATOM 0 HB2 MET A 7 9.035 -0.149 -0.221 1.00 1.00 H new ATOM 0 HB3 MET A 7 10.283 0.675 0.693 1.00 1.00 H new ATOM 0 HG2 MET A 7 9.634 2.829 -0.549 1.00 1.00 H new ATOM 0 HG3 MET A 7 8.265 1.957 -1.210 1.00 1.00 H new ATOM 0 HE1 MET A 7 5.699 1.677 1.226 1.00 1.00 H new ATOM 0 HE2 MET A 7 6.512 1.050 -0.228 1.00 1.00 H new ATOM 0 HE3 MET A 7 6.770 0.262 1.347 1.00 1.00 H new ATOM 117 N LYS A 8 9.435 -0.922 -2.875 1.00 1.00 N ATOM 118 CA LYS A 8 8.627 -1.327 -4.025 1.00 1.00 C ATOM 119 C LYS A 8 7.156 -1.417 -3.633 1.00 1.00 C ATOM 120 O LYS A 8 6.824 -1.554 -2.458 1.00 1.00 O ATOM 121 CB LYS A 8 9.142 -2.654 -4.561 1.00 1.00 C ATOM 122 CG LYS A 8 10.476 -2.393 -5.264 1.00 1.00 C ATOM 123 CD LYS A 8 11.027 -3.688 -5.843 1.00 1.00 C ATOM 124 CE LYS A 8 11.585 -4.587 -4.734 1.00 1.00 C ATOM 125 NZ LYS A 8 12.385 -5.682 -5.350 1.00 1.00 N ATOM 0 H LYS A 8 9.640 -1.681 -2.226 1.00 1.00 H new ATOM 0 HA LYS A 8 8.711 -0.580 -4.814 1.00 1.00 H new ATOM 0 HB2 LYS A 8 9.273 -3.369 -3.748 1.00 1.00 H new ATOM 0 HB3 LYS A 8 8.424 -3.089 -5.256 1.00 1.00 H new ATOM 0 HG2 LYS A 8 10.339 -1.660 -6.059 1.00 1.00 H new ATOM 0 HG3 LYS A 8 11.190 -1.969 -4.558 1.00 1.00 H new ATOM 0 HD2 LYS A 8 10.239 -4.214 -6.382 1.00 1.00 H new ATOM 0 HD3 LYS A 8 11.812 -3.464 -6.565 1.00 1.00 H new ATOM 0 HE2 LYS A 8 12.206 -4.004 -4.054 1.00 1.00 H new ATOM 0 HE3 LYS A 8 10.770 -5.004 -4.142 1.00 1.00 H new ATOM 0 HZ1 LYS A 8 12.538 -6.436 -4.650 1.00 1.00 H new ATOM 0 HZ2 LYS A 8 11.873 -6.068 -6.169 1.00 1.00 H new ATOM 0 HZ3 LYS A 8 13.304 -5.308 -5.661 1.00 1.00 H new ATOM 139 N ILE A 9 6.281 -1.276 -4.625 1.00 1.00 N ATOM 140 CA ILE A 9 4.829 -1.278 -4.389 1.00 1.00 C ATOM 141 C ILE A 9 4.101 -2.319 -5.233 1.00 1.00 C ATOM 142 O ILE A 9 4.415 -2.521 -6.405 1.00 1.00 O ATOM 143 CB ILE A 9 4.273 0.097 -4.737 1.00 1.00 C ATOM 144 CG1 ILE A 9 4.851 1.155 -3.793 1.00 1.00 C ATOM 145 CG2 ILE A 9 2.741 0.088 -4.624 1.00 1.00 C ATOM 146 CD1 ILE A 9 4.513 2.545 -4.333 1.00 1.00 C ATOM 0 H ILE A 9 6.546 -1.158 -5.603 1.00 1.00 H new ATOM 0 HA ILE A 9 4.668 -1.525 -3.340 1.00 1.00 H new ATOM 0 HB ILE A 9 4.557 0.339 -5.761 1.00 1.00 H new ATOM 0 HG12 ILE A 9 4.440 1.030 -2.791 1.00 1.00 H new ATOM 0 HG13 ILE A 9 5.931 1.036 -3.711 1.00 1.00 H new ATOM 0 HG21 ILE A 9 2.352 1.075 -4.874 1.00 1.00 H new ATOM 0 HG22 ILE A 9 2.330 -0.650 -5.313 1.00 1.00 H new ATOM 0 HG23 ILE A 9 2.453 -0.168 -3.604 1.00 1.00 H new ATOM 0 HD11 ILE A 9 4.922 3.304 -3.666 1.00 1.00 H new ATOM 0 HD12 ILE A 9 4.946 2.664 -5.326 1.00 1.00 H new ATOM 0 HD13 ILE A 9 3.431 2.659 -4.392 1.00 1.00 H new ATOM 158 N LEU A 10 3.107 -2.962 -4.611 1.00 1.00 N ATOM 159 CA LEU A 10 2.288 -3.977 -5.279 1.00 1.00 C ATOM 160 C LEU A 10 0.821 -3.571 -5.261 1.00 1.00 C ATOM 161 O LEU A 10 0.311 -3.112 -4.239 1.00 1.00 O ATOM 162 CB LEU A 10 2.430 -5.320 -4.560 1.00 1.00 C ATOM 163 CG LEU A 10 1.762 -6.465 -5.374 1.00 1.00 C ATOM 164 CD1 LEU A 10 2.575 -7.744 -5.205 1.00 1.00 C ATOM 165 CD2 LEU A 10 0.340 -6.749 -4.860 1.00 1.00 C ATOM 0 H LEU A 10 2.850 -2.795 -3.638 1.00 1.00 H new ATOM 0 HA LEU A 10 2.631 -4.067 -6.310 1.00 1.00 H new ATOM 0 HB2 LEU A 10 3.486 -5.545 -4.409 1.00 1.00 H new ATOM 0 HB3 LEU A 10 1.973 -5.257 -3.572 1.00 1.00 H new ATOM 0 HG LEU A 10 1.721 -6.155 -6.418 1.00 1.00 H new ATOM 0 HD11 LEU A 10 2.110 -8.549 -5.774 1.00 1.00 H new ATOM 0 HD12 LEU A 10 3.589 -7.581 -5.569 1.00 1.00 H new ATOM 0 HD13 LEU A 10 2.608 -8.018 -4.150 1.00 1.00 H new ATOM 0 HD21 LEU A 10 -0.105 -7.553 -5.446 1.00 1.00 H new ATOM 0 HD22 LEU A 10 0.384 -7.045 -3.812 1.00 1.00 H new ATOM 0 HD23 LEU A 10 -0.268 -5.850 -4.958 1.00 1.00 H new ATOM 177 N THR A 11 0.132 -3.766 -6.383 1.00 1.00 N ATOM 178 CA THR A 11 -1.300 -3.439 -6.459 1.00 1.00 C ATOM 179 C THR A 11 -2.121 -4.715 -6.289 1.00 1.00 C ATOM 180 O THR A 11 -2.078 -5.608 -7.136 1.00 1.00 O ATOM 181 CB THR A 11 -1.612 -2.782 -7.808 1.00 1.00 C ATOM 182 OG1 THR A 11 -1.306 -3.688 -8.861 1.00 1.00 O ATOM 183 CG2 THR A 11 -0.761 -1.521 -7.959 1.00 1.00 C ATOM 0 H THR A 11 0.530 -4.143 -7.243 1.00 1.00 H new ATOM 0 HA THR A 11 -1.558 -2.740 -5.663 1.00 1.00 H new ATOM 0 HB THR A 11 -2.669 -2.521 -7.853 1.00 1.00 H new ATOM 0 HG1 THR A 11 -1.513 -4.603 -8.576 1.00 1.00 H new ATOM 0 HG21 THR A 11 -0.978 -1.048 -8.917 1.00 1.00 H new ATOM 0 HG22 THR A 11 -0.993 -0.827 -7.151 1.00 1.00 H new ATOM 0 HG23 THR A 11 0.295 -1.788 -7.917 1.00 1.00 H new ATOM 191 N LEU A 12 -2.841 -4.807 -5.173 1.00 1.00 N ATOM 192 CA LEU A 12 -3.633 -6.001 -4.880 1.00 1.00 C ATOM 193 C LEU A 12 -4.744 -6.183 -5.918 1.00 1.00 C ATOM 194 O LEU A 12 -4.985 -7.288 -6.397 1.00 1.00 O ATOM 195 CB LEU A 12 -4.231 -5.879 -3.466 1.00 1.00 C ATOM 196 CG LEU A 12 -4.519 -7.267 -2.858 1.00 1.00 C ATOM 197 CD1 LEU A 12 -5.007 -7.088 -1.414 1.00 1.00 C ATOM 198 CD2 LEU A 12 -5.594 -8.004 -3.675 1.00 1.00 C ATOM 0 H LEU A 12 -2.893 -4.077 -4.462 1.00 1.00 H new ATOM 0 HA LEU A 12 -2.987 -6.878 -4.925 1.00 1.00 H new ATOM 0 HB2 LEU A 12 -3.540 -5.334 -2.823 1.00 1.00 H new ATOM 0 HB3 LEU A 12 -5.153 -5.299 -3.508 1.00 1.00 H new ATOM 0 HG LEU A 12 -3.604 -7.859 -2.875 1.00 1.00 H new ATOM 0 HD11 LEU A 12 -5.213 -8.065 -0.976 1.00 1.00 H new ATOM 0 HD12 LEU A 12 -4.237 -6.583 -0.830 1.00 1.00 H new ATOM 0 HD13 LEU A 12 -5.917 -6.489 -1.409 1.00 1.00 H new ATOM 0 HD21 LEU A 12 -5.783 -8.981 -3.230 1.00 1.00 H new ATOM 0 HD22 LEU A 12 -6.515 -7.421 -3.675 1.00 1.00 H new ATOM 0 HD23 LEU A 12 -5.247 -8.133 -4.700 1.00 1.00 H new ATOM 210 N GLY A 13 -5.414 -5.091 -6.267 1.00 1.00 N ATOM 211 CA GLY A 13 -6.490 -5.164 -7.247 1.00 1.00 C ATOM 212 C GLY A 13 -7.184 -3.821 -7.446 1.00 1.00 C ATOM 213 O GLY A 13 -6.751 -2.998 -8.252 1.00 1.00 O ATOM 0 H GLY A 13 -5.235 -4.159 -5.893 1.00 1.00 H new ATOM 0 HA2 GLY A 13 -6.088 -5.507 -8.200 1.00 1.00 H new ATOM 0 HA3 GLY A 13 -7.222 -5.905 -6.925 1.00 1.00 H new ATOM 217 N LYS A 14 -8.274 -3.608 -6.714 1.00 1.00 N ATOM 218 CA LYS A 14 -9.030 -2.366 -6.834 1.00 1.00 C ATOM 219 C LYS A 14 -8.231 -1.200 -6.256 1.00 1.00 C ATOM 220 O LYS A 14 -7.698 -1.288 -5.150 1.00 1.00 O ATOM 221 CB LYS A 14 -10.370 -2.518 -6.098 1.00 1.00 C ATOM 222 CG LYS A 14 -11.211 -1.229 -6.187 1.00 1.00 C ATOM 223 CD LYS A 14 -11.637 -0.968 -7.636 1.00 1.00 C ATOM 224 CE LYS A 14 -12.775 0.054 -7.669 1.00 1.00 C ATOM 225 NZ LYS A 14 -13.992 -0.523 -7.026 1.00 1.00 N ATOM 0 H LYS A 14 -8.650 -4.272 -6.038 1.00 1.00 H new ATOM 0 HA LYS A 14 -9.220 -2.157 -7.887 1.00 1.00 H new ATOM 0 HB2 LYS A 14 -10.930 -3.349 -6.526 1.00 1.00 H new ATOM 0 HB3 LYS A 14 -10.186 -2.763 -5.052 1.00 1.00 H new ATOM 0 HG2 LYS A 14 -12.093 -1.318 -5.552 1.00 1.00 H new ATOM 0 HG3 LYS A 14 -10.633 -0.384 -5.813 1.00 1.00 H new ATOM 0 HD2 LYS A 14 -10.789 -0.599 -8.213 1.00 1.00 H new ATOM 0 HD3 LYS A 14 -11.959 -1.899 -8.103 1.00 1.00 H new ATOM 0 HE2 LYS A 14 -12.474 0.964 -7.149 1.00 1.00 H new ATOM 0 HE3 LYS A 14 -12.995 0.334 -8.699 1.00 1.00 H new ATOM 0 HZ1 LYS A 14 -14.842 -0.100 -7.450 1.00 1.00 H new ATOM 0 HZ2 LYS A 14 -14.007 -1.552 -7.173 1.00 1.00 H new ATOM 0 HZ3 LYS A 14 -13.975 -0.319 -6.006 1.00 1.00 H new ATOM 239 N LEU A 15 -8.155 -0.108 -7.016 1.00 1.00 N ATOM 240 CA LEU A 15 -7.414 1.082 -6.580 1.00 1.00 C ATOM 241 C LEU A 15 -8.335 2.303 -6.563 1.00 1.00 C ATOM 242 O LEU A 15 -9.061 2.550 -7.527 1.00 1.00 O ATOM 243 CB LEU A 15 -6.242 1.336 -7.538 1.00 1.00 C ATOM 244 CG LEU A 15 -5.228 2.321 -6.892 1.00 1.00 C ATOM 245 CD1 LEU A 15 -3.981 1.564 -6.424 1.00 1.00 C ATOM 246 CD2 LEU A 15 -4.792 3.378 -7.903 1.00 1.00 C ATOM 0 H LEU A 15 -8.594 -0.020 -7.932 1.00 1.00 H new ATOM 0 HA LEU A 15 -7.034 0.912 -5.573 1.00 1.00 H new ATOM 0 HB2 LEU A 15 -5.746 0.395 -7.776 1.00 1.00 H new ATOM 0 HB3 LEU A 15 -6.612 1.747 -8.477 1.00 1.00 H new ATOM 0 HG LEU A 15 -5.719 2.799 -6.044 1.00 1.00 H new ATOM 0 HD11 LEU A 15 -3.278 2.264 -5.973 1.00 1.00 H new ATOM 0 HD12 LEU A 15 -4.267 0.812 -5.688 1.00 1.00 H new ATOM 0 HD13 LEU A 15 -3.510 1.076 -7.277 1.00 1.00 H new ATOM 0 HD21 LEU A 15 -4.082 4.059 -7.434 1.00 1.00 H new ATOM 0 HD22 LEU A 15 -4.319 2.892 -8.756 1.00 1.00 H new ATOM 0 HD23 LEU A 15 -5.663 3.939 -8.242 1.00 1.00 H new ATOM 258 N SER A 16 -8.312 3.054 -5.460 1.00 1.00 N ATOM 259 CA SER A 16 -9.162 4.238 -5.332 1.00 1.00 C ATOM 260 C SER A 16 -8.833 5.284 -6.395 1.00 1.00 C ATOM 261 O SER A 16 -9.733 5.813 -7.044 1.00 1.00 O ATOM 262 CB SER A 16 -8.988 4.846 -3.940 1.00 1.00 C ATOM 263 OG SER A 16 -9.497 6.173 -3.930 1.00 1.00 O ATOM 0 H SER A 16 -7.720 2.866 -4.651 1.00 1.00 H new ATOM 0 HA SER A 16 -10.197 3.927 -5.476 1.00 1.00 H new ATOM 0 HB2 SER A 16 -9.511 4.240 -3.200 1.00 1.00 H new ATOM 0 HB3 SER A 16 -7.934 4.848 -3.663 1.00 1.00 H new ATOM 0 HG SER A 16 -9.386 6.559 -3.036 1.00 1.00 H new ATOM 269 N GLN A 17 -7.545 5.565 -6.581 1.00 1.00 N ATOM 270 CA GLN A 17 -7.122 6.539 -7.583 1.00 1.00 C ATOM 271 C GLN A 17 -7.321 5.968 -8.980 1.00 1.00 C ATOM 272 O GLN A 17 -7.628 4.786 -9.133 1.00 1.00 O ATOM 273 CB GLN A 17 -5.638 6.877 -7.364 1.00 1.00 C ATOM 274 CG GLN A 17 -5.485 7.855 -6.198 1.00 1.00 C ATOM 275 CD GLN A 17 -4.089 7.762 -5.594 1.00 1.00 C ATOM 276 OE1 GLN A 17 -3.091 7.785 -6.311 1.00 1.00 O ATOM 277 NE2 GLN A 17 -3.976 7.638 -4.299 1.00 1.00 N ATOM 0 H GLN A 17 -6.783 5.136 -6.056 1.00 1.00 H new ATOM 0 HA GLN A 17 -7.721 7.444 -7.485 1.00 1.00 H new ATOM 0 HB2 GLN A 17 -5.076 5.965 -7.160 1.00 1.00 H new ATOM 0 HB3 GLN A 17 -5.219 7.313 -8.271 1.00 1.00 H new ATOM 0 HG2 GLN A 17 -5.670 8.872 -6.544 1.00 1.00 H new ATOM 0 HG3 GLN A 17 -6.232 7.637 -5.434 1.00 1.00 H new ATOM 0 HE21 GLN A 17 -4.811 7.620 -3.714 1.00 1.00 H new ATOM 0 HE22 GLN A 17 -3.053 7.559 -3.873 1.00 1.00 H new ATOM 286 N ASN A 18 -7.156 6.805 -9.998 1.00 1.00 N ATOM 287 CA ASN A 18 -7.326 6.354 -11.374 1.00 1.00 C ATOM 288 C ASN A 18 -5.994 5.888 -11.953 1.00 1.00 C ATOM 289 O ASN A 18 -4.938 6.076 -11.350 1.00 1.00 O ATOM 290 CB ASN A 18 -7.913 7.485 -12.227 1.00 1.00 C ATOM 291 CG ASN A 18 -6.940 8.648 -12.309 1.00 1.00 C ATOM 292 OD1 ASN A 18 -5.900 8.545 -12.958 1.00 1.00 O ATOM 293 ND2 ASN A 18 -7.214 9.757 -11.680 1.00 1.00 N ATOM 0 H ASN A 18 -6.907 7.789 -9.899 1.00 1.00 H new ATOM 0 HA ASN A 18 -8.017 5.511 -11.383 1.00 1.00 H new ATOM 0 HB2 ASN A 18 -8.134 7.116 -13.229 1.00 1.00 H new ATOM 0 HB3 ASN A 18 -8.856 7.822 -11.796 1.00 1.00 H new ATOM 0 HD21 ASN A 18 -6.565 10.543 -11.725 1.00 1.00 H new ATOM 0 HD22 ASN A 18 -8.077 9.839 -11.143 1.00 1.00 H new ATOM 300 N LYS A 19 -6.069 5.268 -13.118 1.00 1.00 N ATOM 301 CA LYS A 19 -4.891 4.739 -13.801 1.00 1.00 C ATOM 302 C LYS A 19 -3.751 5.748 -13.919 1.00 1.00 C ATOM 303 O LYS A 19 -2.703 5.593 -13.303 1.00 1.00 O ATOM 304 CB LYS A 19 -5.295 4.316 -15.210 1.00 1.00 C ATOM 305 CG LYS A 19 -4.121 3.608 -15.893 1.00 1.00 C ATOM 306 CD LYS A 19 -4.552 3.104 -17.276 1.00 1.00 C ATOM 307 CE LYS A 19 -4.586 4.268 -18.276 1.00 1.00 C ATOM 308 NZ LYS A 19 -4.803 3.741 -19.654 1.00 1.00 N ATOM 0 H LYS A 19 -6.944 5.115 -13.620 1.00 1.00 H new ATOM 0 HA LYS A 19 -4.527 3.903 -13.203 1.00 1.00 H new ATOM 0 HB2 LYS A 19 -6.158 3.651 -15.167 1.00 1.00 H new ATOM 0 HB3 LYS A 19 -5.593 5.189 -15.791 1.00 1.00 H new ATOM 0 HG2 LYS A 19 -3.279 4.293 -15.992 1.00 1.00 H new ATOM 0 HG3 LYS A 19 -3.782 2.772 -15.281 1.00 1.00 H new ATOM 0 HD2 LYS A 19 -3.861 2.336 -17.623 1.00 1.00 H new ATOM 0 HD3 LYS A 19 -5.537 2.641 -17.212 1.00 1.00 H new ATOM 0 HE2 LYS A 19 -5.383 4.963 -18.013 1.00 1.00 H new ATOM 0 HE3 LYS A 19 -3.650 4.825 -18.232 1.00 1.00 H new ATOM 0 HZ1 LYS A 19 -4.825 4.532 -20.329 1.00 1.00 H new ATOM 0 HZ2 LYS A 19 -4.028 3.094 -19.904 1.00 1.00 H new ATOM 0 HZ3 LYS A 19 -5.707 3.228 -19.691 1.00 1.00 H new ATOM 322 N ASP A 20 -3.944 6.735 -14.777 1.00 1.00 N ATOM 323 CA ASP A 20 -2.910 7.729 -15.055 1.00 1.00 C ATOM 324 C ASP A 20 -2.424 8.478 -13.812 1.00 1.00 C ATOM 325 O ASP A 20 -1.219 8.630 -13.618 1.00 1.00 O ATOM 326 CB ASP A 20 -3.457 8.734 -16.070 1.00 1.00 C ATOM 327 CG ASP A 20 -2.330 9.586 -16.645 1.00 1.00 C ATOM 328 OD1 ASP A 20 -1.224 9.080 -16.747 1.00 1.00 O ATOM 329 OD2 ASP A 20 -2.591 10.732 -16.973 1.00 1.00 O ATOM 0 H ASP A 20 -4.810 6.873 -15.298 1.00 1.00 H new ATOM 0 HA ASP A 20 -2.047 7.191 -15.446 1.00 1.00 H new ATOM 0 HB2 ASP A 20 -3.967 8.205 -16.875 1.00 1.00 H new ATOM 0 HB3 ASP A 20 -4.197 9.376 -15.592 1.00 1.00 H new ATOM 334 N GLU A 21 -3.342 8.977 -12.994 1.00 1.00 N ATOM 335 CA GLU A 21 -2.938 9.741 -11.811 1.00 1.00 C ATOM 336 C GLU A 21 -2.279 8.866 -10.746 1.00 1.00 C ATOM 337 O GLU A 21 -1.289 9.270 -10.139 1.00 1.00 O ATOM 338 CB GLU A 21 -4.135 10.462 -11.197 1.00 1.00 C ATOM 339 CG GLU A 21 -4.599 11.582 -12.133 1.00 1.00 C ATOM 340 CD GLU A 21 -5.760 12.347 -11.504 1.00 1.00 C ATOM 341 OE1 GLU A 21 -5.552 12.960 -10.471 1.00 1.00 O ATOM 342 OE2 GLU A 21 -6.844 12.303 -12.064 1.00 1.00 O ATOM 0 H GLU A 21 -4.349 8.873 -13.119 1.00 1.00 H new ATOM 0 HA GLU A 21 -2.202 10.469 -12.153 1.00 1.00 H new ATOM 0 HB2 GLU A 21 -4.948 9.757 -11.027 1.00 1.00 H new ATOM 0 HB3 GLU A 21 -3.864 10.876 -10.226 1.00 1.00 H new ATOM 0 HG2 GLU A 21 -3.772 12.263 -12.335 1.00 1.00 H new ATOM 0 HG3 GLU A 21 -4.907 11.162 -13.090 1.00 1.00 H new ATOM 349 N ALA A 22 -2.827 7.675 -10.513 1.00 1.00 N ATOM 350 CA ALA A 22 -2.260 6.778 -9.512 1.00 1.00 C ATOM 351 C ALA A 22 -0.802 6.501 -9.850 1.00 1.00 C ATOM 352 O ALA A 22 0.088 6.595 -9.005 1.00 1.00 O ATOM 353 CB ALA A 22 -2.999 5.444 -9.526 1.00 1.00 C ATOM 0 H ALA A 22 -3.650 7.314 -10.996 1.00 1.00 H new ATOM 0 HA ALA A 22 -2.350 7.249 -8.533 1.00 1.00 H new ATOM 0 HB1 ALA A 22 -2.568 4.781 -8.775 1.00 1.00 H new ATOM 0 HB2 ALA A 22 -4.053 5.609 -9.302 1.00 1.00 H new ATOM 0 HB3 ALA A 22 -2.905 4.986 -10.511 1.00 1.00 H new ATOM 359 N LYS A 23 -0.591 6.138 -11.106 1.00 1.00 N ATOM 360 CA LYS A 23 0.737 5.820 -11.607 1.00 1.00 C ATOM 361 C LYS A 23 1.638 7.045 -11.528 1.00 1.00 C ATOM 362 O LYS A 23 2.792 6.954 -11.108 1.00 1.00 O ATOM 363 CB LYS A 23 0.602 5.361 -13.054 1.00 1.00 C ATOM 364 CG LYS A 23 -0.149 4.032 -13.082 1.00 1.00 C ATOM 365 CD LYS A 23 -0.424 3.629 -14.528 1.00 1.00 C ATOM 366 CE LYS A 23 -1.073 2.244 -14.548 1.00 1.00 C ATOM 367 NZ LYS A 23 -2.167 2.196 -13.536 1.00 1.00 N ATOM 0 H LYS A 23 -1.331 6.056 -11.803 1.00 1.00 H new ATOM 0 HA LYS A 23 1.185 5.031 -11.003 1.00 1.00 H new ATOM 0 HB2 LYS A 23 0.067 6.109 -13.639 1.00 1.00 H new ATOM 0 HB3 LYS A 23 1.587 5.247 -13.507 1.00 1.00 H new ATOM 0 HG2 LYS A 23 0.438 3.260 -12.584 1.00 1.00 H new ATOM 0 HG3 LYS A 23 -1.087 4.121 -12.534 1.00 1.00 H new ATOM 0 HD2 LYS A 23 -1.080 4.358 -15.003 1.00 1.00 H new ATOM 0 HD3 LYS A 23 0.505 3.617 -15.098 1.00 1.00 H new ATOM 0 HE2 LYS A 23 -1.471 2.031 -15.540 1.00 1.00 H new ATOM 0 HE3 LYS A 23 -0.328 1.478 -14.332 1.00 1.00 H new ATOM 0 HZ1 LYS A 23 -2.862 1.473 -13.810 1.00 1.00 H new ATOM 0 HZ2 LYS A 23 -1.769 1.958 -12.605 1.00 1.00 H new ATOM 0 HZ3 LYS A 23 -2.634 3.124 -13.486 1.00 1.00 H new ATOM 381 N ALA A 24 1.098 8.194 -11.924 1.00 1.00 N ATOM 382 CA ALA A 24 1.856 9.438 -11.884 1.00 1.00 C ATOM 383 C ALA A 24 2.288 9.765 -10.459 1.00 1.00 C ATOM 384 O ALA A 24 3.451 10.079 -10.219 1.00 1.00 O ATOM 385 CB ALA A 24 1.004 10.588 -12.425 1.00 1.00 C ATOM 0 H ALA A 24 0.145 8.288 -12.274 1.00 1.00 H new ATOM 0 HA ALA A 24 2.744 9.312 -12.504 1.00 1.00 H new ATOM 0 HB1 ALA A 24 1.579 11.514 -12.391 1.00 1.00 H new ATOM 0 HB2 ALA A 24 0.718 10.376 -13.455 1.00 1.00 H new ATOM 0 HB3 ALA A 24 0.107 10.695 -11.814 1.00 1.00 H new ATOM 391 N MET A 25 1.353 9.677 -9.519 1.00 1.00 N ATOM 392 CA MET A 25 1.654 9.961 -8.128 1.00 1.00 C ATOM 393 C MET A 25 2.683 8.977 -7.579 1.00 1.00 C ATOM 394 O MET A 25 3.616 9.379 -6.896 1.00 1.00 O ATOM 395 CB MET A 25 0.328 9.937 -7.328 1.00 1.00 C ATOM 396 CG MET A 25 0.529 9.392 -5.912 1.00 1.00 C ATOM 397 SD MET A 25 1.809 10.340 -5.059 1.00 1.00 S ATOM 398 CE MET A 25 0.725 11.636 -4.418 1.00 1.00 C ATOM 0 H MET A 25 0.384 9.412 -9.698 1.00 1.00 H new ATOM 0 HA MET A 25 2.103 10.949 -8.033 1.00 1.00 H new ATOM 0 HB2 MET A 25 -0.083 10.945 -7.275 1.00 1.00 H new ATOM 0 HB3 MET A 25 -0.403 9.323 -7.854 1.00 1.00 H new ATOM 0 HG2 MET A 25 -0.407 9.447 -5.356 1.00 1.00 H new ATOM 0 HG3 MET A 25 0.812 8.340 -5.955 1.00 1.00 H new ATOM 0 HE1 MET A 25 1.275 12.576 -4.363 1.00 1.00 H new ATOM 0 HE2 MET A 25 -0.132 11.755 -5.081 1.00 1.00 H new ATOM 0 HE3 MET A 25 0.377 11.360 -3.422 1.00 1.00 H new ATOM 408 N ILE A 26 2.501 7.701 -7.874 1.00 1.00 N ATOM 409 CA ILE A 26 3.420 6.685 -7.382 1.00 1.00 C ATOM 410 C ILE A 26 4.839 6.885 -7.910 1.00 1.00 C ATOM 411 O ILE A 26 5.806 6.788 -7.155 1.00 1.00 O ATOM 412 CB ILE A 26 2.878 5.317 -7.806 1.00 1.00 C ATOM 413 CG1 ILE A 26 1.594 5.021 -7.010 1.00 1.00 C ATOM 414 CG2 ILE A 26 3.928 4.228 -7.549 1.00 1.00 C ATOM 415 CD1 ILE A 26 0.804 3.931 -7.719 1.00 1.00 C ATOM 0 H ILE A 26 1.735 7.345 -8.445 1.00 1.00 H new ATOM 0 HA ILE A 26 3.483 6.758 -6.296 1.00 1.00 H new ATOM 0 HB ILE A 26 2.652 5.327 -8.872 1.00 1.00 H new ATOM 0 HG12 ILE A 26 1.845 4.705 -5.998 1.00 1.00 H new ATOM 0 HG13 ILE A 26 0.991 5.924 -6.921 1.00 1.00 H new ATOM 0 HG21 ILE A 26 3.531 3.260 -7.855 1.00 1.00 H new ATOM 0 HG22 ILE A 26 4.828 4.448 -8.123 1.00 1.00 H new ATOM 0 HG23 ILE A 26 4.172 4.201 -6.487 1.00 1.00 H new ATOM 0 HD11 ILE A 26 -0.106 3.718 -7.158 1.00 1.00 H new ATOM 0 HD12 ILE A 26 0.542 4.266 -8.723 1.00 1.00 H new ATOM 0 HD13 ILE A 26 1.409 3.027 -7.784 1.00 1.00 H new ATOM 427 N GLU A 27 4.963 7.163 -9.197 1.00 1.00 N ATOM 428 CA GLU A 27 6.277 7.375 -9.788 1.00 1.00 C ATOM 429 C GLU A 27 6.885 8.697 -9.320 1.00 1.00 C ATOM 430 O GLU A 27 8.102 8.820 -9.197 1.00 1.00 O ATOM 431 CB GLU A 27 6.181 7.319 -11.309 1.00 1.00 C ATOM 432 CG GLU A 27 5.864 5.882 -11.732 1.00 1.00 C ATOM 433 CD GLU A 27 5.703 5.808 -13.247 1.00 1.00 C ATOM 434 OE1 GLU A 27 5.752 6.851 -13.879 1.00 1.00 O ATOM 435 OE2 GLU A 27 5.518 4.712 -13.753 1.00 1.00 O ATOM 0 H GLU A 27 4.182 7.247 -9.847 1.00 1.00 H new ATOM 0 HA GLU A 27 6.940 6.577 -9.454 1.00 1.00 H new ATOM 0 HB2 GLU A 27 5.404 7.997 -11.663 1.00 1.00 H new ATOM 0 HB3 GLU A 27 7.119 7.646 -11.758 1.00 1.00 H new ATOM 0 HG2 GLU A 27 6.663 5.215 -11.410 1.00 1.00 H new ATOM 0 HG3 GLU A 27 4.950 5.544 -11.244 1.00 1.00 H new ATOM 442 N LYS A 28 6.029 9.685 -9.060 1.00 1.00 N ATOM 443 CA LYS A 28 6.505 10.993 -8.610 1.00 1.00 C ATOM 444 C LYS A 28 7.286 10.881 -7.305 1.00 1.00 C ATOM 445 O LYS A 28 8.358 11.472 -7.172 1.00 1.00 O ATOM 446 CB LYS A 28 5.316 11.939 -8.421 1.00 1.00 C ATOM 447 CG LYS A 28 5.797 13.392 -8.350 1.00 1.00 C ATOM 448 CD LYS A 28 4.587 14.339 -8.362 1.00 1.00 C ATOM 449 CE LYS A 28 3.800 14.204 -7.053 1.00 1.00 C ATOM 450 NZ LYS A 28 2.860 15.354 -6.912 1.00 1.00 N ATOM 0 H LYS A 28 5.016 9.607 -9.151 1.00 1.00 H new ATOM 0 HA LYS A 28 7.175 11.390 -9.373 1.00 1.00 H new ATOM 0 HB2 LYS A 28 4.614 11.821 -9.247 1.00 1.00 H new ATOM 0 HB3 LYS A 28 4.780 11.682 -7.508 1.00 1.00 H new ATOM 0 HG2 LYS A 28 6.384 13.547 -7.444 1.00 1.00 H new ATOM 0 HG3 LYS A 28 6.451 13.611 -9.195 1.00 1.00 H new ATOM 0 HD2 LYS A 28 4.922 15.368 -8.490 1.00 1.00 H new ATOM 0 HD3 LYS A 28 3.942 14.107 -9.209 1.00 1.00 H new ATOM 0 HE2 LYS A 28 3.246 13.265 -7.046 1.00 1.00 H new ATOM 0 HE3 LYS A 28 4.486 14.176 -6.206 1.00 1.00 H new ATOM 0 HZ1 LYS A 28 2.327 15.260 -6.024 1.00 1.00 H new ATOM 0 HZ2 LYS A 28 3.399 16.243 -6.900 1.00 1.00 H new ATOM 0 HZ3 LYS A 28 2.197 15.361 -7.714 1.00 1.00 H new ATOM 464 N LEU A 29 6.756 10.133 -6.345 1.00 1.00 N ATOM 465 CA LEU A 29 7.452 9.977 -5.071 1.00 1.00 C ATOM 466 C LEU A 29 8.777 9.274 -5.310 1.00 1.00 C ATOM 467 O LEU A 29 9.803 9.590 -4.709 1.00 1.00 O ATOM 468 CB LEU A 29 6.651 9.092 -4.109 1.00 1.00 C ATOM 469 CG LEU A 29 5.190 9.521 -4.036 1.00 1.00 C ATOM 470 CD1 LEU A 29 4.515 8.842 -2.843 1.00 1.00 C ATOM 471 CD2 LEU A 29 5.100 11.033 -3.884 1.00 1.00 C ATOM 0 H LEU A 29 5.869 9.635 -6.418 1.00 1.00 H new ATOM 0 HA LEU A 29 7.587 10.970 -4.643 1.00 1.00 H new ATOM 0 HB2 LEU A 29 6.710 8.053 -4.435 1.00 1.00 H new ATOM 0 HB3 LEU A 29 7.095 9.140 -3.115 1.00 1.00 H new ATOM 0 HG LEU A 29 4.684 9.225 -4.955 1.00 1.00 H new ATOM 0 HD11 LEU A 29 3.471 9.150 -2.792 1.00 1.00 H new ATOM 0 HD12 LEU A 29 4.569 7.760 -2.962 1.00 1.00 H new ATOM 0 HD13 LEU A 29 5.024 9.132 -1.924 1.00 1.00 H new ATOM 0 HD21 LEU A 29 4.053 11.332 -3.833 1.00 1.00 H new ATOM 0 HD22 LEU A 29 5.610 11.338 -2.970 1.00 1.00 H new ATOM 0 HD23 LEU A 29 5.573 11.514 -4.741 1.00 1.00 H new ATOM 483 N GLY A 30 8.697 8.274 -6.167 1.00 1.00 N ATOM 484 CA GLY A 30 9.832 7.433 -6.498 1.00 1.00 C ATOM 485 C GLY A 30 9.382 5.983 -6.441 1.00 1.00 C ATOM 486 O GLY A 30 10.144 5.065 -6.742 1.00 1.00 O ATOM 0 H GLY A 30 7.838 8.021 -6.656 1.00 1.00 H new ATOM 0 HA2 GLY A 30 10.208 7.676 -7.492 1.00 1.00 H new ATOM 0 HA3 GLY A 30 10.649 7.605 -5.798 1.00 1.00 H new ATOM 490 N GLY A 31 8.123 5.797 -6.041 1.00 1.00 N ATOM 491 CA GLY A 31 7.552 4.464 -5.933 1.00 1.00 C ATOM 492 C GLY A 31 7.553 3.764 -7.291 1.00 1.00 C ATOM 493 O GLY A 31 7.496 4.414 -8.335 1.00 1.00 O ATOM 0 H GLY A 31 7.486 6.552 -5.789 1.00 1.00 H new ATOM 0 HA2 GLY A 31 8.123 3.876 -5.215 1.00 1.00 H new ATOM 0 HA3 GLY A 31 6.533 4.529 -5.553 1.00 1.00 H new ATOM 497 N LYS A 32 7.627 2.432 -7.263 1.00 1.00 N ATOM 498 CA LYS A 32 7.648 1.623 -8.481 1.00 1.00 C ATOM 499 C LYS A 32 6.658 0.468 -8.371 1.00 1.00 C ATOM 500 O LYS A 32 6.395 -0.032 -7.277 1.00 1.00 O ATOM 501 CB LYS A 32 9.051 1.051 -8.687 1.00 1.00 C ATOM 502 CG LYS A 32 10.039 2.196 -8.940 1.00 1.00 C ATOM 503 CD LYS A 32 11.479 1.660 -8.984 1.00 1.00 C ATOM 504 CE LYS A 32 11.700 0.779 -10.220 1.00 1.00 C ATOM 505 NZ LYS A 32 13.148 0.443 -10.320 1.00 1.00 N ATOM 0 H LYS A 32 7.674 1.888 -6.402 1.00 1.00 H new ATOM 0 HA LYS A 32 7.370 2.256 -9.324 1.00 1.00 H new ATOM 0 HB2 LYS A 32 9.355 0.481 -7.809 1.00 1.00 H new ATOM 0 HB3 LYS A 32 9.054 0.361 -9.531 1.00 1.00 H new ATOM 0 HG2 LYS A 32 9.799 2.691 -9.881 1.00 1.00 H new ATOM 0 HG3 LYS A 32 9.947 2.945 -8.154 1.00 1.00 H new ATOM 0 HD2 LYS A 32 12.181 2.494 -8.997 1.00 1.00 H new ATOM 0 HD3 LYS A 32 11.684 1.085 -8.081 1.00 1.00 H new ATOM 0 HE2 LYS A 32 11.106 -0.132 -10.145 1.00 1.00 H new ATOM 0 HE3 LYS A 32 11.371 1.301 -11.119 1.00 1.00 H new ATOM 0 HZ1 LYS A 32 13.309 -0.155 -11.156 1.00 1.00 H new ATOM 0 HZ2 LYS A 32 13.702 1.319 -10.409 1.00 1.00 H new ATOM 0 HZ3 LYS A 32 13.445 -0.070 -9.465 1.00 1.00 H new ATOM 519 N LEU A 33 6.131 0.036 -9.511 1.00 1.00 N ATOM 520 CA LEU A 33 5.182 -1.082 -9.547 1.00 1.00 C ATOM 521 C LEU A 33 5.897 -2.352 -9.993 1.00 1.00 C ATOM 522 O LEU A 33 6.237 -2.500 -11.167 1.00 1.00 O ATOM 523 CB LEU A 33 4.057 -0.779 -10.537 1.00 1.00 C ATOM 524 CG LEU A 33 3.311 0.489 -10.118 1.00 1.00 C ATOM 525 CD1 LEU A 33 2.253 0.822 -11.176 1.00 1.00 C ATOM 526 CD2 LEU A 33 2.630 0.277 -8.752 1.00 1.00 C ATOM 0 H LEU A 33 6.341 0.439 -10.424 1.00 1.00 H new ATOM 0 HA LEU A 33 4.767 -1.221 -8.549 1.00 1.00 H new ATOM 0 HB2 LEU A 33 4.468 -0.653 -11.539 1.00 1.00 H new ATOM 0 HB3 LEU A 33 3.364 -1.620 -10.580 1.00 1.00 H new ATOM 0 HG LEU A 33 4.020 1.313 -10.033 1.00 1.00 H new ATOM 0 HD11 LEU A 33 1.717 1.725 -10.883 1.00 1.00 H new ATOM 0 HD12 LEU A 33 2.739 0.984 -12.138 1.00 1.00 H new ATOM 0 HD13 LEU A 33 1.549 -0.006 -11.260 1.00 1.00 H new ATOM 0 HD21 LEU A 33 2.102 1.186 -8.464 1.00 1.00 H new ATOM 0 HD22 LEU A 33 1.921 -0.548 -8.823 1.00 1.00 H new ATOM 0 HD23 LEU A 33 3.385 0.042 -8.002 1.00 1.00 H new ATOM 538 N THR A 34 6.120 -3.267 -9.052 1.00 1.00 N ATOM 539 CA THR A 34 6.806 -4.519 -9.364 1.00 1.00 C ATOM 540 C THR A 34 6.732 -5.498 -8.194 1.00 1.00 C ATOM 541 O THR A 34 6.447 -5.114 -7.059 1.00 1.00 O ATOM 542 CB THR A 34 8.286 -4.230 -9.677 1.00 1.00 C ATOM 543 OG1 THR A 34 8.381 -3.052 -10.466 1.00 1.00 O ATOM 544 CG2 THR A 34 8.907 -5.403 -10.446 1.00 1.00 C ATOM 0 H THR A 34 5.839 -3.167 -8.077 1.00 1.00 H new ATOM 0 HA THR A 34 6.314 -4.967 -10.227 1.00 1.00 H new ATOM 0 HB THR A 34 8.824 -4.094 -8.739 1.00 1.00 H new ATOM 0 HG1 THR A 34 7.689 -3.066 -11.160 1.00 1.00 H new ATOM 0 HG21 THR A 34 9.953 -5.184 -10.660 1.00 1.00 H new ATOM 0 HG22 THR A 34 8.842 -6.309 -9.843 1.00 1.00 H new ATOM 0 HG23 THR A 34 8.368 -5.551 -11.382 1.00 1.00 H new ATOM 552 N GLY A 35 7.028 -6.763 -8.488 1.00 1.00 N ATOM 553 CA GLY A 35 7.035 -7.819 -7.477 1.00 1.00 C ATOM 554 C GLY A 35 5.765 -8.655 -7.546 1.00 1.00 C ATOM 555 O GLY A 35 4.657 -8.124 -7.526 1.00 1.00 O ATOM 0 H GLY A 35 7.268 -7.083 -9.426 1.00 1.00 H new ATOM 0 HA2 GLY A 35 7.904 -8.460 -7.623 1.00 1.00 H new ATOM 0 HA3 GLY A 35 7.129 -7.376 -6.485 1.00 1.00 H new ATOM 559 N SER A 36 5.938 -9.972 -7.619 1.00 1.00 N ATOM 560 CA SER A 36 4.803 -10.885 -7.676 1.00 1.00 C ATOM 561 C SER A 36 4.034 -10.889 -6.355 1.00 1.00 C ATOM 562 O SER A 36 2.804 -10.969 -6.348 1.00 1.00 O ATOM 563 CB SER A 36 5.300 -12.297 -7.985 1.00 1.00 C ATOM 564 OG SER A 36 6.212 -12.704 -6.973 1.00 1.00 O ATOM 0 H SER A 36 6.850 -10.428 -7.640 1.00 1.00 H new ATOM 0 HA SER A 36 4.129 -10.548 -8.463 1.00 1.00 H new ATOM 0 HB2 SER A 36 4.459 -12.989 -8.033 1.00 1.00 H new ATOM 0 HB3 SER A 36 5.787 -12.319 -8.960 1.00 1.00 H new ATOM 0 HG SER A 36 6.532 -13.610 -7.166 1.00 1.00 H new ATOM 570 N ALA A 37 4.760 -10.813 -5.240 1.00 1.00 N ATOM 571 CA ALA A 37 4.121 -10.819 -3.927 1.00 1.00 C ATOM 572 C ALA A 37 5.066 -10.270 -2.840 1.00 1.00 C ATOM 573 O ALA A 37 5.066 -9.070 -2.564 1.00 1.00 O ATOM 574 CB ALA A 37 3.648 -12.242 -3.589 1.00 1.00 C ATOM 0 H ALA A 37 5.778 -10.747 -5.220 1.00 1.00 H new ATOM 0 HA ALA A 37 3.254 -10.159 -3.957 1.00 1.00 H new ATOM 0 HB1 ALA A 37 3.172 -12.244 -2.609 1.00 1.00 H new ATOM 0 HB2 ALA A 37 2.933 -12.576 -4.341 1.00 1.00 H new ATOM 0 HB3 ALA A 37 4.504 -12.917 -3.578 1.00 1.00 H new ATOM 580 N ASN A 38 5.862 -11.144 -2.223 1.00 1.00 N ATOM 581 CA ASN A 38 6.788 -10.735 -1.159 1.00 1.00 C ATOM 582 C ASN A 38 7.871 -9.784 -1.661 1.00 1.00 C ATOM 583 O ASN A 38 8.363 -8.947 -0.906 1.00 1.00 O ATOM 584 CB ASN A 38 7.442 -11.948 -0.507 1.00 1.00 C ATOM 585 CG ASN A 38 8.356 -11.482 0.622 1.00 1.00 C ATOM 586 OD1 ASN A 38 9.582 -11.546 0.509 1.00 1.00 O ATOM 587 ND2 ASN A 38 7.817 -11.018 1.717 1.00 1.00 N ATOM 0 H ASN A 38 5.886 -12.140 -2.440 1.00 1.00 H new ATOM 0 HA ASN A 38 6.188 -10.203 -0.421 1.00 1.00 H new ATOM 0 HB2 ASN A 38 6.679 -12.622 -0.118 1.00 1.00 H new ATOM 0 HB3 ASN A 38 8.015 -12.508 -1.246 1.00 1.00 H new ATOM 0 HD21 ASN A 38 8.411 -10.706 2.485 1.00 1.00 H new ATOM 0 HD22 ASN A 38 6.802 -10.968 1.804 1.00 1.00 H new ATOM 594 N LYS A 39 8.259 -9.930 -2.915 1.00 1.00 N ATOM 595 CA LYS A 39 9.305 -9.089 -3.476 1.00 1.00 C ATOM 596 C LYS A 39 8.979 -7.612 -3.243 1.00 1.00 C ATOM 597 O LYS A 39 9.870 -6.804 -2.999 1.00 1.00 O ATOM 598 CB LYS A 39 9.433 -9.378 -4.972 1.00 1.00 C ATOM 599 CG LYS A 39 10.795 -8.906 -5.488 1.00 1.00 C ATOM 600 CD LYS A 39 10.950 -9.350 -6.937 1.00 1.00 C ATOM 601 CE LYS A 39 12.306 -8.908 -7.491 1.00 1.00 C ATOM 602 NZ LYS A 39 12.443 -9.402 -8.893 1.00 1.00 N ATOM 0 H LYS A 39 7.870 -10.617 -3.561 1.00 1.00 H new ATOM 0 HA LYS A 39 10.252 -9.310 -2.984 1.00 1.00 H new ATOM 0 HB2 LYS A 39 9.317 -10.446 -5.154 1.00 1.00 H new ATOM 0 HB3 LYS A 39 8.635 -8.873 -5.517 1.00 1.00 H new ATOM 0 HG2 LYS A 39 10.871 -7.821 -5.415 1.00 1.00 H new ATOM 0 HG3 LYS A 39 11.596 -9.323 -4.877 1.00 1.00 H new ATOM 0 HD2 LYS A 39 10.860 -10.434 -7.003 1.00 1.00 H new ATOM 0 HD3 LYS A 39 10.148 -8.926 -7.541 1.00 1.00 H new ATOM 0 HE2 LYS A 39 12.387 -7.821 -7.465 1.00 1.00 H new ATOM 0 HE3 LYS A 39 13.112 -9.303 -6.872 1.00 1.00 H new ATOM 0 HZ1 LYS A 39 13.363 -9.106 -9.277 1.00 1.00 H new ATOM 0 HZ2 LYS A 39 12.382 -10.440 -8.903 1.00 1.00 H new ATOM 0 HZ3 LYS A 39 11.680 -9.005 -9.477 1.00 1.00 H new ATOM 616 N ALA A 40 7.695 -7.269 -3.298 1.00 1.00 N ATOM 617 CA ALA A 40 7.279 -5.881 -3.068 1.00 1.00 C ATOM 618 C ALA A 40 7.433 -5.525 -1.593 1.00 1.00 C ATOM 619 O ALA A 40 7.752 -6.390 -0.776 1.00 1.00 O ATOM 620 CB ALA A 40 5.830 -5.699 -3.494 1.00 1.00 C ATOM 0 H ALA A 40 6.933 -7.918 -3.496 1.00 1.00 H new ATOM 0 HA ALA A 40 7.912 -5.220 -3.659 1.00 1.00 H new ATOM 0 HB1 ALA A 40 5.527 -4.666 -3.321 1.00 1.00 H new ATOM 0 HB2 ALA A 40 5.730 -5.934 -4.554 1.00 1.00 H new ATOM 0 HB3 ALA A 40 5.193 -6.366 -2.913 1.00 1.00 H new ATOM 626 N SER A 41 7.205 -4.253 -1.238 1.00 1.00 N ATOM 627 CA SER A 41 7.338 -3.830 0.158 1.00 1.00 C ATOM 628 C SER A 41 5.964 -3.733 0.803 1.00 1.00 C ATOM 629 O SER A 41 5.554 -4.607 1.561 1.00 1.00 O ATOM 630 CB SER A 41 8.036 -2.473 0.208 1.00 1.00 C ATOM 631 OG SER A 41 8.427 -2.181 1.543 1.00 1.00 O ATOM 0 H SER A 41 6.933 -3.514 -1.886 1.00 1.00 H new ATOM 0 HA SER A 41 7.931 -4.563 0.706 1.00 1.00 H new ATOM 0 HB2 SER A 41 8.910 -2.479 -0.443 1.00 1.00 H new ATOM 0 HB3 SER A 41 7.367 -1.696 -0.163 1.00 1.00 H new ATOM 0 HG SER A 41 8.576 -1.217 1.637 1.00 1.00 H new ATOM 637 N LEU A 42 5.254 -2.658 0.483 1.00 1.00 N ATOM 638 CA LEU A 42 3.912 -2.431 1.006 1.00 1.00 C ATOM 639 C LEU A 42 2.913 -2.437 -0.146 1.00 1.00 C ATOM 640 O LEU A 42 3.046 -1.674 -1.102 1.00 1.00 O ATOM 641 CB LEU A 42 3.867 -1.076 1.729 1.00 1.00 C ATOM 642 CG LEU A 42 4.346 -1.217 3.186 1.00 1.00 C ATOM 643 CD1 LEU A 42 5.712 -1.922 3.241 1.00 1.00 C ATOM 644 CD2 LEU A 42 4.455 0.184 3.827 1.00 1.00 C ATOM 0 H LEU A 42 5.589 -1.924 -0.141 1.00 1.00 H new ATOM 0 HA LEU A 42 3.654 -3.222 1.711 1.00 1.00 H new ATOM 0 HB2 LEU A 42 4.495 -0.357 1.203 1.00 1.00 H new ATOM 0 HB3 LEU A 42 2.850 -0.683 1.712 1.00 1.00 H new ATOM 0 HG LEU A 42 3.624 -1.819 3.738 1.00 1.00 H new ATOM 0 HD11 LEU A 42 6.033 -2.012 4.279 1.00 1.00 H new ATOM 0 HD12 LEU A 42 5.627 -2.915 2.800 1.00 1.00 H new ATOM 0 HD13 LEU A 42 6.445 -1.339 2.683 1.00 1.00 H new ATOM 0 HD21 LEU A 42 4.794 0.087 4.858 1.00 1.00 H new ATOM 0 HD22 LEU A 42 5.169 0.786 3.266 1.00 1.00 H new ATOM 0 HD23 LEU A 42 3.479 0.669 3.810 1.00 1.00 H new ATOM 656 N CYS A 43 1.922 -3.309 -0.044 1.00 1.00 N ATOM 657 CA CYS A 43 0.896 -3.423 -1.076 1.00 1.00 C ATOM 658 C CYS A 43 -0.182 -2.368 -0.884 1.00 1.00 C ATOM 659 O CYS A 43 -0.542 -2.034 0.245 1.00 1.00 O ATOM 660 CB CYS A 43 0.250 -4.810 -1.033 1.00 1.00 C ATOM 661 SG CYS A 43 -0.873 -4.990 -2.440 1.00 1.00 S ATOM 0 H CYS A 43 1.804 -3.949 0.741 1.00 1.00 H new ATOM 0 HA CYS A 43 1.376 -3.272 -2.043 1.00 1.00 H new ATOM 0 HB2 CYS A 43 1.018 -5.583 -1.065 1.00 1.00 H new ATOM 0 HB3 CYS A 43 -0.295 -4.941 -0.098 1.00 1.00 H new ATOM 0 HG CYS A 43 -0.592 -4.092 -3.337 1.00 1.00 H new ATOM 667 N ILE A 44 -0.704 -1.844 -1.990 1.00 1.00 N ATOM 668 CA ILE A 44 -1.745 -0.825 -1.916 1.00 1.00 C ATOM 669 C ILE A 44 -3.120 -1.477 -1.947 1.00 1.00 C ATOM 670 O ILE A 44 -3.553 -2.003 -2.973 1.00 1.00 O ATOM 671 CB ILE A 44 -1.599 0.127 -3.106 1.00 1.00 C ATOM 672 CG1 ILE A 44 -0.239 0.868 -3.011 1.00 1.00 C ATOM 673 CG2 ILE A 44 -2.769 1.119 -3.115 1.00 1.00 C ATOM 674 CD1 ILE A 44 -0.325 2.129 -2.133 1.00 1.00 C ATOM 0 H ILE A 44 -0.427 -2.104 -2.937 1.00 1.00 H new ATOM 0 HA ILE A 44 -1.641 -0.270 -0.984 1.00 1.00 H new ATOM 0 HB ILE A 44 -1.620 -0.436 -4.039 1.00 1.00 H new ATOM 0 HG12 ILE A 44 0.513 0.193 -2.602 1.00 1.00 H new ATOM 0 HG13 ILE A 44 0.092 1.146 -4.012 1.00 1.00 H new ATOM 0 HG21 ILE A 44 -2.665 1.797 -3.962 1.00 1.00 H new ATOM 0 HG22 ILE A 44 -3.708 0.573 -3.200 1.00 1.00 H new ATOM 0 HG23 ILE A 44 -2.766 1.693 -2.189 1.00 1.00 H new ATOM 0 HD11 ILE A 44 0.650 2.614 -2.096 1.00 1.00 H new ATOM 0 HD12 ILE A 44 -1.057 2.817 -2.556 1.00 1.00 H new ATOM 0 HD13 ILE A 44 -0.630 1.850 -1.124 1.00 1.00 H new ATOM 686 N SER A 45 -3.800 -1.433 -0.806 1.00 1.00 N ATOM 687 CA SER A 45 -5.132 -2.019 -0.695 1.00 1.00 C ATOM 688 C SER A 45 -5.936 -1.326 0.405 1.00 1.00 C ATOM 689 O SER A 45 -5.408 -1.003 1.468 1.00 1.00 O ATOM 690 CB SER A 45 -5.006 -3.514 -0.401 1.00 1.00 C ATOM 691 OG SER A 45 -6.201 -4.174 -0.797 1.00 1.00 O ATOM 0 H SER A 45 -3.454 -1.001 0.050 1.00 1.00 H new ATOM 0 HA SER A 45 -5.661 -1.880 -1.638 1.00 1.00 H new ATOM 0 HB2 SER A 45 -4.153 -3.931 -0.936 1.00 1.00 H new ATOM 0 HB3 SER A 45 -4.824 -3.673 0.662 1.00 1.00 H new ATOM 0 HG SER A 45 -6.449 -4.836 -0.118 1.00 1.00 H new ATOM 697 N THR A 46 -7.218 -1.103 0.140 1.00 1.00 N ATOM 698 CA THR A 46 -8.095 -0.446 1.106 1.00 1.00 C ATOM 699 C THR A 46 -8.637 -1.457 2.111 1.00 1.00 C ATOM 700 O THR A 46 -8.492 -2.666 1.929 1.00 1.00 O ATOM 701 CB THR A 46 -9.261 0.243 0.388 1.00 1.00 C ATOM 702 OG1 THR A 46 -10.088 -0.735 -0.229 1.00 1.00 O ATOM 703 CG2 THR A 46 -8.716 1.204 -0.674 1.00 1.00 C ATOM 0 H THR A 46 -7.674 -1.366 -0.734 1.00 1.00 H new ATOM 0 HA THR A 46 -7.511 0.305 1.639 1.00 1.00 H new ATOM 0 HB THR A 46 -9.850 0.805 1.113 1.00 1.00 H new ATOM 0 HG1 THR A 46 -10.833 -0.292 -0.686 1.00 1.00 H new ATOM 0 HG21 THR A 46 -9.547 1.693 -1.183 1.00 1.00 H new ATOM 0 HG22 THR A 46 -8.090 1.957 -0.196 1.00 1.00 H new ATOM 0 HG23 THR A 46 -8.123 0.647 -1.399 1.00 1.00 H new ATOM 711 N LYS A 47 -9.261 -0.954 3.171 1.00 1.00 N ATOM 712 CA LYS A 47 -9.821 -1.823 4.191 1.00 1.00 C ATOM 713 C LYS A 47 -10.895 -2.696 3.569 1.00 1.00 C ATOM 714 O LYS A 47 -11.034 -3.861 3.911 1.00 1.00 O ATOM 715 CB LYS A 47 -10.436 -0.982 5.314 1.00 1.00 C ATOM 716 CG LYS A 47 -10.874 -1.870 6.496 1.00 1.00 C ATOM 717 CD LYS A 47 -9.692 -2.215 7.417 1.00 1.00 C ATOM 718 CE LYS A 47 -9.384 -1.039 8.354 1.00 1.00 C ATOM 719 NZ LYS A 47 -8.417 -1.473 9.401 1.00 1.00 N ATOM 0 H LYS A 47 -9.389 0.043 3.343 1.00 1.00 H new ATOM 0 HA LYS A 47 -9.030 -2.448 4.605 1.00 1.00 H new ATOM 0 HB2 LYS A 47 -9.712 -0.244 5.658 1.00 1.00 H new ATOM 0 HB3 LYS A 47 -11.295 -0.431 4.931 1.00 1.00 H new ATOM 0 HG2 LYS A 47 -11.645 -1.357 7.070 1.00 1.00 H new ATOM 0 HG3 LYS A 47 -11.319 -2.789 6.115 1.00 1.00 H new ATOM 0 HD2 LYS A 47 -9.926 -3.104 8.003 1.00 1.00 H new ATOM 0 HD3 LYS A 47 -8.813 -2.451 6.818 1.00 1.00 H new ATOM 0 HE2 LYS A 47 -8.970 -0.207 7.785 1.00 1.00 H new ATOM 0 HE3 LYS A 47 -10.303 -0.681 8.819 1.00 1.00 H new ATOM 0 HZ1 LYS A 47 -8.210 -0.675 10.035 1.00 1.00 H new ATOM 0 HZ2 LYS A 47 -8.828 -2.254 9.951 1.00 1.00 H new ATOM 0 HZ3 LYS A 47 -7.537 -1.794 8.949 1.00 1.00 H new ATOM 733 N LYS A 48 -11.647 -2.111 2.649 1.00 1.00 N ATOM 734 CA LYS A 48 -12.719 -2.832 1.987 1.00 1.00 C ATOM 735 C LYS A 48 -12.173 -4.057 1.272 1.00 1.00 C ATOM 736 O LYS A 48 -12.786 -5.118 1.311 1.00 1.00 O ATOM 737 CB LYS A 48 -13.410 -1.914 0.975 1.00 1.00 C ATOM 738 CG LYS A 48 -14.199 -0.836 1.719 1.00 1.00 C ATOM 739 CD LYS A 48 -14.855 0.114 0.713 1.00 1.00 C ATOM 740 CE LYS A 48 -15.719 1.133 1.462 1.00 1.00 C ATOM 741 NZ LYS A 48 -14.836 2.158 2.086 1.00 1.00 N ATOM 0 H LYS A 48 -11.534 -1.144 2.346 1.00 1.00 H new ATOM 0 HA LYS A 48 -13.439 -3.155 2.739 1.00 1.00 H new ATOM 0 HB2 LYS A 48 -12.669 -1.452 0.322 1.00 1.00 H new ATOM 0 HB3 LYS A 48 -14.078 -2.494 0.339 1.00 1.00 H new ATOM 0 HG2 LYS A 48 -14.961 -1.298 2.347 1.00 1.00 H new ATOM 0 HG3 LYS A 48 -13.536 -0.278 2.381 1.00 1.00 H new ATOM 0 HD2 LYS A 48 -14.091 0.628 0.130 1.00 1.00 H new ATOM 0 HD3 LYS A 48 -15.467 -0.450 0.009 1.00 1.00 H new ATOM 0 HE2 LYS A 48 -16.420 1.608 0.775 1.00 1.00 H new ATOM 0 HE3 LYS A 48 -16.312 0.632 2.227 1.00 1.00 H new ATOM 0 HZ1 LYS A 48 -15.420 2.908 2.509 1.00 1.00 H new ATOM 0 HZ2 LYS A 48 -14.255 1.712 2.825 1.00 1.00 H new ATOM 0 HZ3 LYS A 48 -14.216 2.570 1.360 1.00 1.00 H new ATOM 755 N GLU A 49 -11.023 -3.913 0.624 1.00 1.00 N ATOM 756 CA GLU A 49 -10.419 -5.034 -0.090 1.00 1.00 C ATOM 757 C GLU A 49 -9.989 -6.134 0.883 1.00 1.00 C ATOM 758 O GLU A 49 -10.153 -7.322 0.604 1.00 1.00 O ATOM 759 CB GLU A 49 -9.202 -4.544 -0.876 1.00 1.00 C ATOM 760 CG GLU A 49 -9.658 -3.604 -1.991 1.00 1.00 C ATOM 761 CD GLU A 49 -8.463 -3.162 -2.828 1.00 1.00 C ATOM 762 OE1 GLU A 49 -7.841 -4.019 -3.436 1.00 1.00 O ATOM 763 OE2 GLU A 49 -8.190 -1.972 -2.853 1.00 1.00 O ATOM 0 H GLU A 49 -10.494 -3.042 0.577 1.00 1.00 H new ATOM 0 HA GLU A 49 -11.161 -5.447 -0.774 1.00 1.00 H new ATOM 0 HB2 GLU A 49 -8.510 -4.027 -0.211 1.00 1.00 H new ATOM 0 HB3 GLU A 49 -8.664 -5.392 -1.299 1.00 1.00 H new ATOM 0 HG2 GLU A 49 -10.389 -4.107 -2.624 1.00 1.00 H new ATOM 0 HG3 GLU A 49 -10.153 -2.733 -1.562 1.00 1.00 H new ATOM 770 N VAL A 50 -9.423 -5.718 2.013 1.00 1.00 N ATOM 771 CA VAL A 50 -8.937 -6.654 3.034 1.00 1.00 C ATOM 772 C VAL A 50 -10.081 -7.463 3.654 1.00 1.00 C ATOM 773 O VAL A 50 -9.945 -8.659 3.887 1.00 1.00 O ATOM 774 CB VAL A 50 -8.216 -5.884 4.146 1.00 1.00 C ATOM 775 CG1 VAL A 50 -7.756 -6.849 5.243 1.00 1.00 C ATOM 776 CG2 VAL A 50 -6.998 -5.162 3.563 1.00 1.00 C ATOM 0 H VAL A 50 -9.287 -4.735 2.249 1.00 1.00 H new ATOM 0 HA VAL A 50 -8.251 -7.345 2.543 1.00 1.00 H new ATOM 0 HB VAL A 50 -8.905 -5.156 4.575 1.00 1.00 H new ATOM 0 HG11 VAL A 50 -7.245 -6.291 6.028 1.00 1.00 H new ATOM 0 HG12 VAL A 50 -8.622 -7.359 5.665 1.00 1.00 H new ATOM 0 HG13 VAL A 50 -7.073 -7.585 4.818 1.00 1.00 H new ATOM 0 HG21 VAL A 50 -6.486 -4.615 4.355 1.00 1.00 H new ATOM 0 HG22 VAL A 50 -6.316 -5.892 3.127 1.00 1.00 H new ATOM 0 HG23 VAL A 50 -7.324 -4.464 2.792 1.00 1.00 H new ATOM 786 N GLU A 51 -11.193 -6.796 3.935 1.00 1.00 N ATOM 787 CA GLU A 51 -12.352 -7.440 4.556 1.00 1.00 C ATOM 788 C GLU A 51 -12.792 -8.665 3.773 1.00 1.00 C ATOM 789 O GLU A 51 -13.360 -9.603 4.329 1.00 1.00 O ATOM 790 CB GLU A 51 -13.495 -6.423 4.621 1.00 1.00 C ATOM 791 CG GLU A 51 -13.152 -5.348 5.657 1.00 1.00 C ATOM 792 CD GLU A 51 -13.218 -5.933 7.064 1.00 1.00 C ATOM 793 OE1 GLU A 51 -13.848 -6.964 7.225 1.00 1.00 O ATOM 794 OE2 GLU A 51 -12.680 -5.314 7.967 1.00 1.00 O ATOM 0 H GLU A 51 -11.321 -5.802 3.743 1.00 1.00 H new ATOM 0 HA GLU A 51 -12.079 -7.772 5.558 1.00 1.00 H new ATOM 0 HB2 GLU A 51 -13.649 -5.967 3.643 1.00 1.00 H new ATOM 0 HB3 GLU A 51 -14.426 -6.921 4.890 1.00 1.00 H new ATOM 0 HG2 GLU A 51 -12.154 -4.953 5.466 1.00 1.00 H new ATOM 0 HG3 GLU A 51 -13.847 -4.513 5.569 1.00 1.00 H new ATOM 801 N LYS A 52 -12.555 -8.633 2.480 1.00 1.00 N ATOM 802 CA LYS A 52 -12.953 -9.724 1.611 1.00 1.00 C ATOM 803 C LYS A 52 -12.197 -11.006 1.930 1.00 1.00 C ATOM 804 O LYS A 52 -12.765 -12.097 1.907 1.00 1.00 O ATOM 805 CB LYS A 52 -12.676 -9.309 0.180 1.00 1.00 C ATOM 806 CG LYS A 52 -13.248 -7.916 -0.008 1.00 1.00 C ATOM 807 CD LYS A 52 -13.288 -7.570 -1.485 1.00 1.00 C ATOM 808 CE LYS A 52 -13.905 -6.183 -1.642 1.00 1.00 C ATOM 809 NZ LYS A 52 -15.378 -6.284 -1.450 1.00 1.00 N ATOM 0 H LYS A 52 -12.087 -7.862 2.004 1.00 1.00 H new ATOM 0 HA LYS A 52 -14.013 -9.928 1.762 1.00 1.00 H new ATOM 0 HB2 LYS A 52 -11.605 -9.314 -0.020 1.00 1.00 H new ATOM 0 HB3 LYS A 52 -13.134 -10.009 -0.518 1.00 1.00 H new ATOM 0 HG2 LYS A 52 -14.252 -7.866 0.414 1.00 1.00 H new ATOM 0 HG3 LYS A 52 -12.640 -7.188 0.529 1.00 1.00 H new ATOM 0 HD2 LYS A 52 -12.282 -7.587 -1.905 1.00 1.00 H new ATOM 0 HD3 LYS A 52 -13.874 -8.309 -2.031 1.00 1.00 H new ATOM 0 HE2 LYS A 52 -13.476 -5.495 -0.913 1.00 1.00 H new ATOM 0 HE3 LYS A 52 -13.681 -5.781 -2.630 1.00 1.00 H new ATOM 0 HZ1 LYS A 52 -15.835 -5.424 -1.814 1.00 1.00 H new ATOM 0 HZ2 LYS A 52 -15.739 -7.113 -1.964 1.00 1.00 H new ATOM 0 HZ3 LYS A 52 -15.590 -6.386 -0.437 1.00 1.00 H new ATOM 823 N MET A 53 -10.901 -10.865 2.186 1.00 1.00 N ATOM 824 CA MET A 53 -10.059 -12.023 2.462 1.00 1.00 C ATOM 825 C MET A 53 -10.137 -12.995 1.292 1.00 1.00 C ATOM 826 O MET A 53 -10.336 -14.197 1.469 1.00 1.00 O ATOM 827 CB MET A 53 -10.500 -12.717 3.759 1.00 1.00 C ATOM 828 CG MET A 53 -10.266 -11.785 4.956 1.00 1.00 C ATOM 829 SD MET A 53 -8.534 -11.907 5.483 1.00 1.00 S ATOM 830 CE MET A 53 -8.125 -10.145 5.468 1.00 1.00 C ATOM 0 H MET A 53 -10.414 -9.969 2.208 1.00 1.00 H new ATOM 0 HA MET A 53 -9.029 -11.690 2.589 1.00 1.00 H new ATOM 0 HB2 MET A 53 -11.554 -12.986 3.697 1.00 1.00 H new ATOM 0 HB3 MET A 53 -9.942 -13.644 3.894 1.00 1.00 H new ATOM 0 HG2 MET A 53 -10.503 -10.757 4.683 1.00 1.00 H new ATOM 0 HG3 MET A 53 -10.928 -12.057 5.778 1.00 1.00 H new ATOM 0 HE1 MET A 53 -7.244 -9.971 6.085 1.00 1.00 H new ATOM 0 HE2 MET A 53 -7.920 -9.828 4.446 1.00 1.00 H new ATOM 0 HE3 MET A 53 -8.964 -9.573 5.864 1.00 1.00 H new ATOM 840 N SER A 54 -9.995 -12.445 0.091 1.00 1.00 N ATOM 841 CA SER A 54 -10.058 -13.243 -1.126 1.00 1.00 C ATOM 842 C SER A 54 -8.780 -14.052 -1.312 1.00 1.00 C ATOM 843 O SER A 54 -7.823 -13.901 -0.553 1.00 1.00 O ATOM 844 CB SER A 54 -10.266 -12.336 -2.339 1.00 1.00 C ATOM 845 OG SER A 54 -9.104 -11.538 -2.533 1.00 1.00 O ATOM 0 H SER A 54 -9.836 -11.450 -0.065 1.00 1.00 H new ATOM 0 HA SER A 54 -10.899 -13.931 -1.036 1.00 1.00 H new ATOM 0 HB2 SER A 54 -10.462 -12.936 -3.227 1.00 1.00 H new ATOM 0 HB3 SER A 54 -11.137 -11.699 -2.186 1.00 1.00 H new ATOM 0 HG SER A 54 -9.233 -10.956 -3.311 1.00 1.00 H new ATOM 851 N LYS A 55 -8.769 -14.898 -2.335 1.00 1.00 N ATOM 852 CA LYS A 55 -7.602 -15.718 -2.628 1.00 1.00 C ATOM 853 C LYS A 55 -6.401 -14.820 -2.904 1.00 1.00 C ATOM 854 O LYS A 55 -5.288 -15.121 -2.487 1.00 1.00 O ATOM 855 CB LYS A 55 -7.900 -16.609 -3.837 1.00 1.00 C ATOM 856 CG LYS A 55 -6.732 -17.558 -4.109 1.00 1.00 C ATOM 857 CD LYS A 55 -7.134 -18.508 -5.239 1.00 1.00 C ATOM 858 CE LYS A 55 -6.002 -19.491 -5.541 1.00 1.00 C ATOM 859 NZ LYS A 55 -6.445 -20.448 -6.592 1.00 1.00 N ATOM 0 H LYS A 55 -9.553 -15.033 -2.973 1.00 1.00 H new ATOM 0 HA LYS A 55 -7.370 -16.352 -1.772 1.00 1.00 H new ATOM 0 HB2 LYS A 55 -8.808 -17.184 -3.656 1.00 1.00 H new ATOM 0 HB3 LYS A 55 -8.084 -15.990 -4.715 1.00 1.00 H new ATOM 0 HG2 LYS A 55 -5.842 -16.994 -4.387 1.00 1.00 H new ATOM 0 HG3 LYS A 55 -6.484 -18.122 -3.210 1.00 1.00 H new ATOM 0 HD2 LYS A 55 -8.034 -19.056 -4.959 1.00 1.00 H new ATOM 0 HD3 LYS A 55 -7.375 -17.936 -6.135 1.00 1.00 H new ATOM 0 HE2 LYS A 55 -5.116 -18.951 -5.875 1.00 1.00 H new ATOM 0 HE3 LYS A 55 -5.723 -20.031 -4.636 1.00 1.00 H new ATOM 0 HZ1 LYS A 55 -5.676 -21.117 -6.798 1.00 1.00 H new ATOM 0 HZ2 LYS A 55 -7.279 -20.971 -6.256 1.00 1.00 H new ATOM 0 HZ3 LYS A 55 -6.690 -19.925 -7.457 1.00 1.00 H new ATOM 873 N LYS A 56 -6.650 -13.704 -3.582 1.00 1.00 N ATOM 874 CA LYS A 56 -5.605 -12.733 -3.893 1.00 1.00 C ATOM 875 C LYS A 56 -5.039 -12.147 -2.600 1.00 1.00 C ATOM 876 O LYS A 56 -3.828 -11.968 -2.467 1.00 1.00 O ATOM 877 CB LYS A 56 -6.186 -11.611 -4.768 1.00 1.00 C ATOM 878 CG LYS A 56 -6.719 -12.182 -6.097 1.00 1.00 C ATOM 879 CD LYS A 56 -5.569 -12.575 -7.040 1.00 1.00 C ATOM 880 CE LYS A 56 -6.157 -13.116 -8.345 1.00 1.00 C ATOM 881 NZ LYS A 56 -6.771 -12.000 -9.119 1.00 1.00 N ATOM 0 H LYS A 56 -7.574 -13.448 -3.929 1.00 1.00 H new ATOM 0 HA LYS A 56 -4.802 -13.231 -4.437 1.00 1.00 H new ATOM 0 HB2 LYS A 56 -6.991 -11.106 -4.234 1.00 1.00 H new ATOM 0 HB3 LYS A 56 -5.418 -10.864 -4.969 1.00 1.00 H new ATOM 0 HG2 LYS A 56 -7.341 -13.054 -5.897 1.00 1.00 H new ATOM 0 HG3 LYS A 56 -7.354 -11.442 -6.584 1.00 1.00 H new ATOM 0 HD2 LYS A 56 -4.936 -11.711 -7.242 1.00 1.00 H new ATOM 0 HD3 LYS A 56 -4.938 -13.329 -6.570 1.00 1.00 H new ATOM 0 HE2 LYS A 56 -5.376 -13.595 -8.936 1.00 1.00 H new ATOM 0 HE3 LYS A 56 -6.906 -13.878 -8.129 1.00 1.00 H new ATOM 0 HZ1 LYS A 56 -6.893 -12.291 -10.110 1.00 1.00 H new ATOM 0 HZ2 LYS A 56 -7.698 -11.764 -8.711 1.00 1.00 H new ATOM 0 HZ3 LYS A 56 -6.151 -11.166 -9.077 1.00 1.00 H new ATOM 895 N MET A 57 -5.918 -11.868 -1.643 1.00 1.00 N ATOM 896 CA MET A 57 -5.490 -11.325 -0.357 1.00 1.00 C ATOM 897 C MET A 57 -4.564 -12.307 0.365 1.00 1.00 C ATOM 898 O MET A 57 -3.581 -11.909 0.988 1.00 1.00 O ATOM 899 CB MET A 57 -6.730 -11.046 0.520 1.00 1.00 C ATOM 900 CG MET A 57 -6.615 -9.692 1.234 1.00 1.00 C ATOM 901 SD MET A 57 -5.043 -9.586 2.136 1.00 1.00 S ATOM 902 CE MET A 57 -5.321 -10.932 3.319 1.00 1.00 C ATOM 0 H MET A 57 -6.925 -12.007 -1.731 1.00 1.00 H new ATOM 0 HA MET A 57 -4.944 -10.399 -0.534 1.00 1.00 H new ATOM 0 HB2 MET A 57 -7.627 -11.058 -0.100 1.00 1.00 H new ATOM 0 HB3 MET A 57 -6.842 -11.840 1.258 1.00 1.00 H new ATOM 0 HG2 MET A 57 -6.680 -8.883 0.506 1.00 1.00 H new ATOM 0 HG3 MET A 57 -7.448 -9.566 1.926 1.00 1.00 H new ATOM 0 HE1 MET A 57 -5.073 -10.590 4.324 1.00 1.00 H new ATOM 0 HE2 MET A 57 -6.368 -11.235 3.286 1.00 1.00 H new ATOM 0 HE3 MET A 57 -4.689 -11.781 3.059 1.00 1.00 H new ATOM 912 N GLU A 58 -4.899 -13.588 0.283 1.00 1.00 N ATOM 913 CA GLU A 58 -4.112 -14.627 0.942 1.00 1.00 C ATOM 914 C GLU A 58 -2.680 -14.620 0.430 1.00 1.00 C ATOM 915 O GLU A 58 -1.757 -14.962 1.163 1.00 1.00 O ATOM 916 CB GLU A 58 -4.743 -15.993 0.671 1.00 1.00 C ATOM 917 CG GLU A 58 -6.107 -16.067 1.359 1.00 1.00 C ATOM 918 CD GLU A 58 -6.775 -17.399 1.035 1.00 1.00 C ATOM 919 OE1 GLU A 58 -6.182 -18.168 0.294 1.00 1.00 O ATOM 920 OE2 GLU A 58 -7.866 -17.631 1.527 1.00 1.00 O ATOM 0 H GLU A 58 -5.709 -13.934 -0.232 1.00 1.00 H new ATOM 0 HA GLU A 58 -4.101 -14.430 2.014 1.00 1.00 H new ATOM 0 HB2 GLU A 58 -4.856 -16.148 -0.402 1.00 1.00 H new ATOM 0 HB3 GLU A 58 -4.093 -16.786 1.041 1.00 1.00 H new ATOM 0 HG2 GLU A 58 -5.987 -15.962 2.437 1.00 1.00 H new ATOM 0 HG3 GLU A 58 -6.738 -15.243 1.027 1.00 1.00 H new ATOM 927 N GLU A 59 -2.492 -14.256 -0.833 1.00 1.00 N ATOM 928 CA GLU A 59 -1.148 -14.243 -1.391 1.00 1.00 C ATOM 929 C GLU A 59 -0.317 -13.174 -0.701 1.00 1.00 C ATOM 930 O GLU A 59 0.829 -13.411 -0.332 1.00 1.00 O ATOM 931 CB GLU A 59 -1.188 -13.953 -2.895 1.00 1.00 C ATOM 932 CG GLU A 59 -2.372 -14.677 -3.519 1.00 1.00 C ATOM 933 CD GLU A 59 -2.339 -14.524 -5.036 1.00 1.00 C ATOM 934 OE1 GLU A 59 -1.397 -13.927 -5.528 1.00 1.00 O ATOM 935 OE2 GLU A 59 -3.257 -15.000 -5.682 1.00 1.00 O ATOM 0 H GLU A 59 -3.233 -13.973 -1.475 1.00 1.00 H new ATOM 0 HA GLU A 59 -0.701 -15.224 -1.231 1.00 1.00 H new ATOM 0 HB2 GLU A 59 -1.272 -12.880 -3.067 1.00 1.00 H new ATOM 0 HB3 GLU A 59 -0.260 -14.279 -3.364 1.00 1.00 H new ATOM 0 HG2 GLU A 59 -2.344 -15.733 -3.251 1.00 1.00 H new ATOM 0 HG3 GLU A 59 -3.304 -14.273 -3.125 1.00 1.00 H new ATOM 942 N VAL A 60 -0.903 -11.991 -0.542 1.00 1.00 N ATOM 943 CA VAL A 60 -0.211 -10.883 0.098 1.00 1.00 C ATOM 944 C VAL A 60 0.079 -11.230 1.557 1.00 1.00 C ATOM 945 O VAL A 60 1.192 -11.029 2.046 1.00 1.00 O ATOM 946 CB VAL A 60 -1.107 -9.634 0.010 1.00 1.00 C ATOM 947 CG1 VAL A 60 -0.451 -8.420 0.682 1.00 1.00 C ATOM 948 CG2 VAL A 60 -1.374 -9.310 -1.463 1.00 1.00 C ATOM 0 H VAL A 60 -1.853 -11.778 -0.847 1.00 1.00 H new ATOM 0 HA VAL A 60 0.738 -10.689 -0.403 1.00 1.00 H new ATOM 0 HB VAL A 60 -2.040 -9.848 0.531 1.00 1.00 H new ATOM 0 HG11 VAL A 60 -1.112 -7.557 0.600 1.00 1.00 H new ATOM 0 HG12 VAL A 60 -0.270 -8.640 1.734 1.00 1.00 H new ATOM 0 HG13 VAL A 60 0.496 -8.199 0.190 1.00 1.00 H new ATOM 0 HG21 VAL A 60 -2.008 -8.426 -1.532 1.00 1.00 H new ATOM 0 HG22 VAL A 60 -0.429 -9.119 -1.971 1.00 1.00 H new ATOM 0 HG23 VAL A 60 -1.876 -10.154 -1.936 1.00 1.00 H new ATOM 958 N LYS A 61 -0.939 -11.756 2.233 1.00 1.00 N ATOM 959 CA LYS A 61 -0.829 -12.145 3.634 1.00 1.00 C ATOM 960 C LYS A 61 0.181 -13.282 3.826 1.00 1.00 C ATOM 961 O LYS A 61 1.010 -13.240 4.735 1.00 1.00 O ATOM 962 CB LYS A 61 -2.236 -12.547 4.135 1.00 1.00 C ATOM 963 CG LYS A 61 -2.175 -13.358 5.452 1.00 1.00 C ATOM 964 CD LYS A 61 -2.258 -14.866 5.152 1.00 1.00 C ATOM 965 CE LYS A 61 -2.127 -15.651 6.451 1.00 1.00 C ATOM 966 NZ LYS A 61 -2.211 -17.111 6.168 1.00 1.00 N ATOM 0 H LYS A 61 -1.859 -11.924 1.826 1.00 1.00 H new ATOM 0 HA LYS A 61 -0.456 -11.304 4.219 1.00 1.00 H new ATOM 0 HB2 LYS A 61 -2.835 -11.650 4.290 1.00 1.00 H new ATOM 0 HB3 LYS A 61 -2.738 -13.138 3.369 1.00 1.00 H new ATOM 0 HG2 LYS A 61 -1.249 -13.136 5.982 1.00 1.00 H new ATOM 0 HG3 LYS A 61 -2.995 -13.064 6.107 1.00 1.00 H new ATOM 0 HD2 LYS A 61 -3.206 -15.100 4.668 1.00 1.00 H new ATOM 0 HD3 LYS A 61 -1.467 -15.154 4.459 1.00 1.00 H new ATOM 0 HE2 LYS A 61 -1.177 -15.419 6.933 1.00 1.00 H new ATOM 0 HE3 LYS A 61 -2.916 -15.359 7.144 1.00 1.00 H new ATOM 0 HZ1 LYS A 61 -2.121 -17.643 7.057 1.00 1.00 H new ATOM 0 HZ2 LYS A 61 -3.128 -17.327 5.727 1.00 1.00 H new ATOM 0 HZ3 LYS A 61 -1.443 -17.384 5.522 1.00 1.00 H new ATOM 980 N ALA A 62 0.117 -14.287 2.960 1.00 1.00 N ATOM 981 CA ALA A 62 1.035 -15.423 3.045 1.00 1.00 C ATOM 982 C ALA A 62 2.401 -15.049 2.489 1.00 1.00 C ATOM 983 O ALA A 62 3.374 -15.787 2.638 1.00 1.00 O ATOM 984 CB ALA A 62 0.470 -16.616 2.269 1.00 1.00 C ATOM 0 H ALA A 62 -0.555 -14.341 2.195 1.00 1.00 H new ATOM 0 HA ALA A 62 1.146 -15.697 4.094 1.00 1.00 H new ATOM 0 HB1 ALA A 62 1.161 -17.456 2.339 1.00 1.00 H new ATOM 0 HB2 ALA A 62 -0.493 -16.902 2.692 1.00 1.00 H new ATOM 0 HB3 ALA A 62 0.339 -16.340 1.223 1.00 1.00 H new ATOM 990 N ALA A 63 2.459 -13.897 1.833 1.00 1.00 N ATOM 991 CA ALA A 63 3.703 -13.409 1.245 1.00 1.00 C ATOM 992 C ALA A 63 4.398 -12.457 2.204 1.00 1.00 C ATOM 993 O ALA A 63 5.466 -11.928 1.898 1.00 1.00 O ATOM 994 CB ALA A 63 3.419 -12.702 -0.079 1.00 1.00 C ATOM 0 H ALA A 63 1.658 -13.281 1.694 1.00 1.00 H new ATOM 0 HA ALA A 63 4.357 -14.260 1.057 1.00 1.00 H new ATOM 0 HB1 ALA A 63 4.355 -12.343 -0.508 1.00 1.00 H new ATOM 0 HB2 ALA A 63 2.948 -13.400 -0.771 1.00 1.00 H new ATOM 0 HB3 ALA A 63 2.752 -11.858 0.095 1.00 1.00 H new ATOM 1000 N ASN A 64 3.788 -12.246 3.372 1.00 1.00 N ATOM 1001 CA ASN A 64 4.371 -11.363 4.375 1.00 1.00 C ATOM 1002 C ASN A 64 4.578 -9.968 3.807 1.00 1.00 C ATOM 1003 O ASN A 64 5.686 -9.431 3.822 1.00 1.00 O ATOM 1004 CB ASN A 64 5.699 -11.949 4.879 1.00 1.00 C ATOM 1005 CG ASN A 64 5.445 -13.093 5.863 1.00 1.00 C ATOM 1006 OD1 ASN A 64 6.233 -14.036 5.936 1.00 1.00 O ATOM 1007 ND2 ASN A 64 4.401 -13.056 6.649 1.00 1.00 N ATOM 0 H ASN A 64 2.901 -12.671 3.642 1.00 1.00 H new ATOM 0 HA ASN A 64 3.682 -11.283 5.216 1.00 1.00 H new ATOM 0 HB2 ASN A 64 6.286 -12.312 4.035 1.00 1.00 H new ATOM 0 HB3 ASN A 64 6.286 -11.169 5.364 1.00 1.00 H new ATOM 0 HD21 ASN A 64 4.241 -13.807 7.320 1.00 1.00 H new ATOM 0 HD22 ASN A 64 3.746 -12.276 6.591 1.00 1.00 H new ATOM 1014 N VAL A 65 3.488 -9.378 3.327 1.00 1.00 N ATOM 1015 CA VAL A 65 3.518 -8.030 2.769 1.00 1.00 C ATOM 1016 C VAL A 65 2.509 -7.149 3.497 1.00 1.00 C ATOM 1017 O VAL A 65 1.306 -7.379 3.420 1.00 1.00 O ATOM 1018 CB VAL A 65 3.150 -8.087 1.287 1.00 1.00 C ATOM 1019 CG1 VAL A 65 2.969 -6.674 0.727 1.00 1.00 C ATOM 1020 CG2 VAL A 65 4.255 -8.806 0.527 1.00 1.00 C ATOM 0 H VAL A 65 2.567 -9.816 3.313 1.00 1.00 H new ATOM 0 HA VAL A 65 4.519 -7.615 2.888 1.00 1.00 H new ATOM 0 HB VAL A 65 2.210 -8.627 1.171 1.00 1.00 H new ATOM 0 HG11 VAL A 65 2.707 -6.732 -0.329 1.00 1.00 H new ATOM 0 HG12 VAL A 65 2.172 -6.166 1.271 1.00 1.00 H new ATOM 0 HG13 VAL A 65 3.898 -6.116 0.840 1.00 1.00 H new ATOM 0 HG21 VAL A 65 3.999 -8.850 -0.532 1.00 1.00 H new ATOM 0 HG22 VAL A 65 5.193 -8.265 0.651 1.00 1.00 H new ATOM 0 HG23 VAL A 65 4.365 -9.818 0.916 1.00 1.00 H new ATOM 1030 N ARG A 66 2.999 -6.124 4.179 1.00 1.00 N ATOM 1031 CA ARG A 66 2.111 -5.214 4.892 1.00 1.00 C ATOM 1032 C ARG A 66 1.252 -4.455 3.890 1.00 1.00 C ATOM 1033 O ARG A 66 1.610 -4.345 2.716 1.00 1.00 O ATOM 1034 CB ARG A 66 2.924 -4.241 5.754 1.00 1.00 C ATOM 1035 CG ARG A 66 1.997 -3.224 6.430 1.00 1.00 C ATOM 1036 CD ARG A 66 2.805 -2.418 7.452 1.00 1.00 C ATOM 1037 NE ARG A 66 3.865 -1.673 6.786 1.00 1.00 N ATOM 1038 CZ ARG A 66 4.815 -1.074 7.494 1.00 1.00 C ATOM 1039 NH1 ARG A 66 4.763 -1.112 8.798 1.00 1.00 N ATOM 1040 NH2 ARG A 66 5.785 -0.445 6.890 1.00 1.00 N ATOM 0 H ARG A 66 3.992 -5.902 4.254 1.00 1.00 H new ATOM 0 HA ARG A 66 1.462 -5.789 5.553 1.00 1.00 H new ATOM 0 HB2 ARG A 66 3.481 -4.794 6.510 1.00 1.00 H new ATOM 0 HB3 ARG A 66 3.656 -3.721 5.135 1.00 1.00 H new ATOM 0 HG2 ARG A 66 1.561 -2.558 5.685 1.00 1.00 H new ATOM 0 HG3 ARG A 66 1.171 -3.736 6.923 1.00 1.00 H new ATOM 0 HD2 ARG A 66 2.148 -1.731 7.985 1.00 1.00 H new ATOM 0 HD3 ARG A 66 3.235 -3.089 8.196 1.00 1.00 H new ATOM 0 HE ARG A 66 3.877 -1.611 5.768 1.00 1.00 H new ATOM 0 HH11 ARG A 66 3.997 -1.599 9.264 1.00 1.00 H new ATOM 0 HH12 ARG A 66 5.488 -0.655 9.351 1.00 1.00 H new ATOM 0 HH21 ARG A 66 5.815 -0.412 5.871 1.00 1.00 H new ATOM 0 HH22 ARG A 66 6.513 0.014 7.437 1.00 1.00 H new ATOM 1054 N VAL A 67 0.102 -3.957 4.341 1.00 1.00 N ATOM 1055 CA VAL A 67 -0.818 -3.239 3.456 1.00 1.00 C ATOM 1056 C VAL A 67 -0.865 -1.760 3.825 1.00 1.00 C ATOM 1057 O VAL A 67 -0.999 -1.401 4.995 1.00 1.00 O ATOM 1058 CB VAL A 67 -2.215 -3.855 3.584 1.00 1.00 C ATOM 1059 CG1 VAL A 67 -3.249 -3.025 2.815 1.00 1.00 C ATOM 1060 CG2 VAL A 67 -2.187 -5.280 3.024 1.00 1.00 C ATOM 0 H VAL A 67 -0.215 -4.036 5.307 1.00 1.00 H new ATOM 0 HA VAL A 67 -0.470 -3.325 2.427 1.00 1.00 H new ATOM 0 HB VAL A 67 -2.498 -3.869 4.637 1.00 1.00 H new ATOM 0 HG11 VAL A 67 -4.233 -3.482 2.920 1.00 1.00 H new ATOM 0 HG12 VAL A 67 -3.274 -2.012 3.217 1.00 1.00 H new ATOM 0 HG13 VAL A 67 -2.976 -2.990 1.760 1.00 1.00 H new ATOM 0 HG21 VAL A 67 -3.178 -5.725 3.112 1.00 1.00 H new ATOM 0 HG22 VAL A 67 -1.893 -5.253 1.975 1.00 1.00 H new ATOM 0 HG23 VAL A 67 -1.470 -5.878 3.586 1.00 1.00 H new ATOM 1070 N VAL A 68 -0.758 -0.904 2.807 1.00 1.00 N ATOM 1071 CA VAL A 68 -0.785 0.549 3.001 1.00 1.00 C ATOM 1072 C VAL A 68 -1.914 1.161 2.171 1.00 1.00 C ATOM 1073 O VAL A 68 -2.106 0.808 1.011 1.00 1.00 O ATOM 1074 CB VAL A 68 0.565 1.143 2.584 1.00 1.00 C ATOM 1075 CG1 VAL A 68 0.806 0.899 1.094 1.00 1.00 C ATOM 1076 CG2 VAL A 68 0.560 2.646 2.848 1.00 1.00 C ATOM 0 H VAL A 68 -0.651 -1.193 1.835 1.00 1.00 H new ATOM 0 HA VAL A 68 -0.964 0.775 4.052 1.00 1.00 H new ATOM 0 HB VAL A 68 1.357 0.666 3.161 1.00 1.00 H new ATOM 0 HG11 VAL A 68 1.767 1.324 0.806 1.00 1.00 H new ATOM 0 HG12 VAL A 68 0.810 -0.173 0.897 1.00 1.00 H new ATOM 0 HG13 VAL A 68 0.013 1.371 0.515 1.00 1.00 H new ATOM 0 HG21 VAL A 68 1.519 3.071 2.552 1.00 1.00 H new ATOM 0 HG22 VAL A 68 -0.237 3.114 2.271 1.00 1.00 H new ATOM 0 HG23 VAL A 68 0.395 2.828 3.910 1.00 1.00 H new ATOM 1086 N CYS A 69 -2.681 2.055 2.785 1.00 1.00 N ATOM 1087 CA CYS A 69 -3.809 2.686 2.100 1.00 1.00 C ATOM 1088 C CYS A 69 -3.336 3.804 1.163 1.00 1.00 C ATOM 1089 O CYS A 69 -2.221 4.306 1.304 1.00 1.00 O ATOM 1090 CB CYS A 69 -4.795 3.222 3.153 1.00 1.00 C ATOM 1091 SG CYS A 69 -4.354 4.910 3.634 1.00 1.00 S ATOM 0 H CYS A 69 -2.546 2.359 3.749 1.00 1.00 H new ATOM 0 HA CYS A 69 -4.312 1.945 1.479 1.00 1.00 H new ATOM 0 HB2 CYS A 69 -5.809 3.205 2.752 1.00 1.00 H new ATOM 0 HB3 CYS A 69 -4.788 2.574 4.030 1.00 1.00 H new ATOM 0 HG CYS A 69 -5.200 5.343 4.521 1.00 1.00 H new ATOM 1097 N GLU A 70 -4.182 4.169 0.196 1.00 1.00 N ATOM 1098 CA GLU A 70 -3.824 5.209 -0.778 1.00 1.00 C ATOM 1099 C GLU A 70 -3.610 6.573 -0.116 1.00 1.00 C ATOM 1100 O GLU A 70 -2.768 7.351 -0.566 1.00 1.00 O ATOM 1101 CB GLU A 70 -4.903 5.347 -1.857 1.00 1.00 C ATOM 1102 CG GLU A 70 -4.973 4.063 -2.690 1.00 1.00 C ATOM 1103 CD GLU A 70 -5.694 2.972 -1.907 1.00 1.00 C ATOM 1104 OE1 GLU A 70 -6.268 3.291 -0.878 1.00 1.00 O ATOM 1105 OE2 GLU A 70 -5.605 1.823 -2.309 1.00 1.00 O ATOM 0 H GLU A 70 -5.110 3.766 0.065 1.00 1.00 H new ATOM 0 HA GLU A 70 -2.885 4.892 -1.232 1.00 1.00 H new ATOM 0 HB2 GLU A 70 -5.870 5.544 -1.394 1.00 1.00 H new ATOM 0 HB3 GLU A 70 -4.679 6.197 -2.501 1.00 1.00 H new ATOM 0 HG2 GLU A 70 -5.496 4.256 -3.627 1.00 1.00 H new ATOM 0 HG3 GLU A 70 -3.967 3.732 -2.949 1.00 1.00 H new ATOM 1112 N ASP A 71 -4.357 6.875 0.936 1.00 1.00 N ATOM 1113 CA ASP A 71 -4.202 8.171 1.599 1.00 1.00 C ATOM 1114 C ASP A 71 -2.767 8.318 2.090 1.00 1.00 C ATOM 1115 O ASP A 71 -2.301 9.420 2.376 1.00 1.00 O ATOM 1116 CB ASP A 71 -5.170 8.296 2.778 1.00 1.00 C ATOM 1117 CG ASP A 71 -6.604 8.399 2.269 1.00 1.00 C ATOM 1118 OD1 ASP A 71 -6.777 8.544 1.071 1.00 1.00 O ATOM 1119 OD2 ASP A 71 -7.507 8.282 3.081 1.00 1.00 O ATOM 0 H ASP A 71 -5.061 6.261 1.345 1.00 1.00 H new ATOM 0 HA ASP A 71 -4.429 8.962 0.884 1.00 1.00 H new ATOM 0 HB2 ASP A 71 -5.070 7.431 3.434 1.00 1.00 H new ATOM 0 HB3 ASP A 71 -4.922 9.176 3.371 1.00 1.00 H new ATOM 1124 N PHE A 72 -2.063 7.195 2.137 1.00 1.00 N ATOM 1125 CA PHE A 72 -0.664 7.176 2.540 1.00 1.00 C ATOM 1126 C PHE A 72 0.153 8.027 1.574 1.00 1.00 C ATOM 1127 O PHE A 72 1.060 8.759 1.970 1.00 1.00 O ATOM 1128 CB PHE A 72 -0.147 5.741 2.515 1.00 1.00 C ATOM 1129 CG PHE A 72 1.233 5.683 3.126 1.00 1.00 C ATOM 1130 CD1 PHE A 72 2.351 6.058 2.371 1.00 1.00 C ATOM 1131 CD2 PHE A 72 1.386 5.207 4.432 1.00 1.00 C ATOM 1132 CE1 PHE A 72 3.627 5.976 2.932 1.00 1.00 C ATOM 1133 CE2 PHE A 72 2.666 5.138 4.999 1.00 1.00 C ATOM 1134 CZ PHE A 72 3.786 5.522 4.249 1.00 1.00 C ATOM 0 H PHE A 72 -2.442 6.279 1.899 1.00 1.00 H new ATOM 0 HA PHE A 72 -0.570 7.578 3.549 1.00 1.00 H new ATOM 0 HB2 PHE A 72 -0.826 5.091 3.066 1.00 1.00 H new ATOM 0 HB3 PHE A 72 -0.116 5.374 1.489 1.00 1.00 H new ATOM 0 HD1 PHE A 72 2.227 6.410 1.357 1.00 1.00 H new ATOM 0 HD2 PHE A 72 0.523 4.894 5.001 1.00 1.00 H new ATOM 0 HE1 PHE A 72 4.492 6.262 2.351 1.00 1.00 H new ATOM 0 HE2 PHE A 72 2.789 4.789 6.014 1.00 1.00 H new ATOM 0 HZ PHE A 72 4.772 5.468 4.686 1.00 1.00 H new ATOM 1144 N LEU A 73 -0.161 7.887 0.293 1.00 1.00 N ATOM 1145 CA LEU A 73 0.548 8.611 -0.753 1.00 1.00 C ATOM 1146 C LEU A 73 0.396 10.114 -0.555 1.00 1.00 C ATOM 1147 O LEU A 73 1.356 10.869 -0.710 1.00 1.00 O ATOM 1148 CB LEU A 73 -0.047 8.218 -2.108 1.00 1.00 C ATOM 1149 CG LEU A 73 0.227 6.733 -2.392 1.00 1.00 C ATOM 1150 CD1 LEU A 73 -0.589 6.298 -3.610 1.00 1.00 C ATOM 1151 CD2 LEU A 73 1.722 6.496 -2.672 1.00 1.00 C ATOM 0 H LEU A 73 -0.904 7.277 -0.047 1.00 1.00 H new ATOM 0 HA LEU A 73 1.608 8.358 -0.713 1.00 1.00 H new ATOM 0 HB2 LEU A 73 -1.121 8.405 -2.111 1.00 1.00 H new ATOM 0 HB3 LEU A 73 0.386 8.833 -2.897 1.00 1.00 H new ATOM 0 HG LEU A 73 -0.059 6.150 -1.516 1.00 1.00 H new ATOM 0 HD11 LEU A 73 -0.400 5.245 -3.818 1.00 1.00 H new ATOM 0 HD12 LEU A 73 -1.650 6.443 -3.408 1.00 1.00 H new ATOM 0 HD13 LEU A 73 -0.300 6.896 -4.474 1.00 1.00 H new ATOM 0 HD21 LEU A 73 1.892 5.438 -2.870 1.00 1.00 H new ATOM 0 HD22 LEU A 73 2.027 7.081 -3.540 1.00 1.00 H new ATOM 0 HD23 LEU A 73 2.307 6.801 -1.805 1.00 1.00 H new ATOM 1163 N GLN A 74 -0.814 10.544 -0.217 1.00 1.00 N ATOM 1164 CA GLN A 74 -1.079 11.962 -0.006 1.00 1.00 C ATOM 1165 C GLN A 74 -0.349 12.488 1.226 1.00 1.00 C ATOM 1166 O GLN A 74 0.146 13.615 1.231 1.00 1.00 O ATOM 1167 CB GLN A 74 -2.582 12.191 0.186 1.00 1.00 C ATOM 1168 CG GLN A 74 -3.348 11.732 -1.055 1.00 1.00 C ATOM 1169 CD GLN A 74 -2.912 12.537 -2.269 1.00 1.00 C ATOM 1170 OE1 GLN A 74 -3.038 13.762 -2.289 1.00 1.00 O ATOM 1171 NE2 GLN A 74 -2.371 11.916 -3.277 1.00 1.00 N ATOM 0 H GLN A 74 -1.622 9.936 -0.084 1.00 1.00 H new ATOM 0 HA GLN A 74 -0.721 12.496 -0.886 1.00 1.00 H new ATOM 0 HB2 GLN A 74 -2.932 11.644 1.061 1.00 1.00 H new ATOM 0 HB3 GLN A 74 -2.776 13.247 0.372 1.00 1.00 H new ATOM 0 HG2 GLN A 74 -3.169 10.671 -1.230 1.00 1.00 H new ATOM 0 HG3 GLN A 74 -4.419 11.853 -0.895 1.00 1.00 H new ATOM 0 HE21 GLN A 74 -2.269 10.901 -3.256 1.00 1.00 H new ATOM 0 HE22 GLN A 74 -2.049 12.444 -4.088 1.00 1.00 H new ATOM 1180 N ASP A 75 -0.329 11.678 2.277 1.00 1.00 N ATOM 1181 CA ASP A 75 0.295 12.079 3.537 1.00 1.00 C ATOM 1182 C ASP A 75 1.792 12.321 3.381 1.00 1.00 C ATOM 1183 O ASP A 75 2.315 13.331 3.839 1.00 1.00 O ATOM 1184 CB ASP A 75 0.081 10.980 4.577 1.00 1.00 C ATOM 1185 CG ASP A 75 -1.383 10.937 5.003 1.00 1.00 C ATOM 1186 OD1 ASP A 75 -2.107 11.857 4.655 1.00 1.00 O ATOM 1187 OD2 ASP A 75 -1.760 9.987 5.669 1.00 1.00 O ATOM 0 H ASP A 75 -0.735 10.742 2.285 1.00 1.00 H new ATOM 0 HA ASP A 75 -0.169 13.013 3.854 1.00 1.00 H new ATOM 0 HB2 ASP A 75 0.376 10.015 4.164 1.00 1.00 H new ATOM 0 HB3 ASP A 75 0.715 11.162 5.445 1.00 1.00 H new ATOM 1192 N VAL A 76 2.482 11.391 2.744 1.00 1.00 N ATOM 1193 CA VAL A 76 3.919 11.541 2.565 1.00 1.00 C ATOM 1194 C VAL A 76 4.224 12.670 1.609 1.00 1.00 C ATOM 1195 O VAL A 76 5.203 13.396 1.782 1.00 1.00 O ATOM 1196 CB VAL A 76 4.549 10.248 2.051 1.00 1.00 C ATOM 1197 CG1 VAL A 76 4.334 9.128 3.076 1.00 1.00 C ATOM 1198 CG2 VAL A 76 3.906 9.858 0.716 1.00 1.00 C ATOM 0 H VAL A 76 2.083 10.540 2.349 1.00 1.00 H new ATOM 0 HA VAL A 76 4.348 11.774 3.540 1.00 1.00 H new ATOM 0 HB VAL A 76 5.618 10.400 1.904 1.00 1.00 H new ATOM 0 HG11 VAL A 76 4.784 8.206 2.708 1.00 1.00 H new ATOM 0 HG12 VAL A 76 4.799 9.406 4.022 1.00 1.00 H new ATOM 0 HG13 VAL A 76 3.266 8.974 3.228 1.00 1.00 H new ATOM 0 HG21 VAL A 76 4.357 8.935 0.351 1.00 1.00 H new ATOM 0 HG22 VAL A 76 2.836 9.708 0.858 1.00 1.00 H new ATOM 0 HG23 VAL A 76 4.067 10.653 -0.012 1.00 1.00 H new ATOM 1208 N SER A 77 3.397 12.798 0.586 1.00 1.00 N ATOM 1209 CA SER A 77 3.612 13.836 -0.408 1.00 1.00 C ATOM 1210 C SER A 77 3.511 15.218 0.221 1.00 1.00 C ATOM 1211 O SER A 77 4.253 16.128 -0.148 1.00 1.00 O ATOM 1212 CB SER A 77 2.585 13.719 -1.529 1.00 1.00 C ATOM 1213 OG SER A 77 1.286 13.962 -1.006 1.00 1.00 O ATOM 0 H SER A 77 2.582 12.206 0.422 1.00 1.00 H new ATOM 0 HA SER A 77 4.614 13.704 -0.817 1.00 1.00 H new ATOM 0 HB2 SER A 77 2.810 14.434 -2.320 1.00 1.00 H new ATOM 0 HB3 SER A 77 2.629 12.726 -1.976 1.00 1.00 H new ATOM 0 HG SER A 77 1.256 13.691 -0.065 1.00 1.00 H new ATOM 1219 N ALA A 78 2.572 15.372 1.155 1.00 1.00 N ATOM 1220 CA ALA A 78 2.350 16.661 1.821 1.00 1.00 C ATOM 1221 C ALA A 78 2.889 16.684 3.251 1.00 1.00 C ATOM 1222 O ALA A 78 3.789 17.460 3.572 1.00 1.00 O ATOM 1223 CB ALA A 78 0.848 16.949 1.861 1.00 1.00 C ATOM 0 H ALA A 78 1.953 14.624 1.469 1.00 1.00 H new ATOM 0 HA ALA A 78 2.887 17.419 1.250 1.00 1.00 H new ATOM 0 HB1 ALA A 78 0.674 17.905 2.354 1.00 1.00 H new ATOM 0 HB2 ALA A 78 0.458 16.989 0.844 1.00 1.00 H new ATOM 0 HB3 ALA A 78 0.340 16.158 2.413 1.00 1.00 H new ATOM 1229 N SER A 79 2.295 15.857 4.109 1.00 1.00 N ATOM 1230 CA SER A 79 2.678 15.814 5.519 1.00 1.00 C ATOM 1231 C SER A 79 4.142 15.411 5.710 1.00 1.00 C ATOM 1232 O SER A 79 4.846 16.003 6.528 1.00 1.00 O ATOM 1233 CB SER A 79 1.756 14.857 6.275 1.00 1.00 C ATOM 1234 OG SER A 79 0.424 15.048 5.816 1.00 1.00 O ATOM 0 H SER A 79 1.549 15.210 3.854 1.00 1.00 H new ATOM 0 HA SER A 79 2.571 16.821 5.923 1.00 1.00 H new ATOM 0 HB2 SER A 79 2.067 13.825 6.112 1.00 1.00 H new ATOM 0 HB3 SER A 79 1.816 15.043 7.347 1.00 1.00 H new ATOM 0 HG SER A 79 -0.177 14.438 6.293 1.00 1.00 H new ATOM 1240 N ALA A 80 4.598 14.427 4.939 1.00 1.00 N ATOM 1241 CA ALA A 80 5.987 13.972 5.011 1.00 1.00 C ATOM 1242 C ALA A 80 6.418 13.668 6.448 1.00 1.00 C ATOM 1243 O ALA A 80 7.530 14.010 6.851 1.00 1.00 O ATOM 1244 CB ALA A 80 6.899 15.051 4.425 1.00 1.00 C ATOM 0 H ALA A 80 4.027 13.928 4.257 1.00 1.00 H new ATOM 0 HA ALA A 80 6.068 13.048 4.439 1.00 1.00 H new ATOM 0 HB1 ALA A 80 7.936 14.718 4.476 1.00 1.00 H new ATOM 0 HB2 ALA A 80 6.627 15.232 3.385 1.00 1.00 H new ATOM 0 HB3 ALA A 80 6.786 15.973 4.996 1.00 1.00 H new ATOM 1250 N LYS A 81 5.546 13.020 7.219 1.00 1.00 N ATOM 1251 CA LYS A 81 5.869 12.683 8.602 1.00 1.00 C ATOM 1252 C LYS A 81 6.750 11.448 8.680 1.00 1.00 C ATOM 1253 O LYS A 81 7.273 10.960 7.679 1.00 1.00 O ATOM 1254 CB LYS A 81 4.593 12.391 9.388 1.00 1.00 C ATOM 1255 CG LYS A 81 3.731 13.635 9.393 1.00 1.00 C ATOM 1256 CD LYS A 81 2.468 13.421 10.240 1.00 1.00 C ATOM 1257 CE LYS A 81 1.531 12.419 9.553 1.00 1.00 C ATOM 1258 NZ LYS A 81 0.178 12.503 10.171 1.00 1.00 N ATOM 0 H LYS A 81 4.620 12.721 6.913 1.00 1.00 H new ATOM 0 HA LYS A 81 6.397 13.538 9.024 1.00 1.00 H new ATOM 0 HB2 LYS A 81 4.053 11.559 8.936 1.00 1.00 H new ATOM 0 HB3 LYS A 81 4.837 12.096 10.409 1.00 1.00 H new ATOM 0 HG2 LYS A 81 4.301 14.476 9.788 1.00 1.00 H new ATOM 0 HG3 LYS A 81 3.450 13.892 8.372 1.00 1.00 H new ATOM 0 HD2 LYS A 81 2.743 13.054 11.229 1.00 1.00 H new ATOM 0 HD3 LYS A 81 1.953 14.371 10.384 1.00 1.00 H new ATOM 0 HE2 LYS A 81 1.470 12.634 8.486 1.00 1.00 H new ATOM 0 HE3 LYS A 81 1.926 11.408 9.652 1.00 1.00 H new ATOM 0 HZ1 LYS A 81 -0.459 11.824 9.706 1.00 1.00 H new ATOM 0 HZ2 LYS A 81 0.245 12.278 11.184 1.00 1.00 H new ATOM 0 HZ3 LYS A 81 -0.198 13.466 10.054 1.00 1.00 H new ATOM 1272 N SER A 82 6.877 10.952 9.897 1.00 1.00 N ATOM 1273 CA SER A 82 7.668 9.754 10.175 1.00 1.00 C ATOM 1274 C SER A 82 6.927 8.523 9.673 1.00 1.00 C ATOM 1275 O SER A 82 5.700 8.460 9.733 1.00 1.00 O ATOM 1276 CB SER A 82 7.898 9.641 11.682 1.00 1.00 C ATOM 1277 OG SER A 82 8.898 10.569 12.080 1.00 1.00 O ATOM 0 H SER A 82 6.439 11.362 10.722 1.00 1.00 H new ATOM 0 HA SER A 82 8.629 9.823 9.665 1.00 1.00 H new ATOM 0 HB2 SER A 82 6.970 9.838 12.218 1.00 1.00 H new ATOM 0 HB3 SER A 82 8.205 8.627 11.939 1.00 1.00 H new ATOM 0 HG SER A 82 9.044 10.498 13.046 1.00 1.00 H new ATOM 1283 N LEU A 83 7.679 7.556 9.168 1.00 1.00 N ATOM 1284 CA LEU A 83 7.087 6.336 8.640 1.00 1.00 C ATOM 1285 C LEU A 83 6.357 5.553 9.732 1.00 1.00 C ATOM 1286 O LEU A 83 5.280 5.005 9.498 1.00 1.00 O ATOM 1287 CB LEU A 83 8.185 5.444 8.062 1.00 1.00 C ATOM 1288 CG LEU A 83 8.795 6.078 6.789 1.00 1.00 C ATOM 1289 CD1 LEU A 83 9.929 7.047 7.155 1.00 1.00 C ATOM 1290 CD2 LEU A 83 9.351 4.967 5.894 1.00 1.00 C ATOM 0 H LEU A 83 8.697 7.592 9.113 1.00 1.00 H new ATOM 0 HA LEU A 83 6.371 6.620 7.868 1.00 1.00 H new ATOM 0 HB2 LEU A 83 8.966 5.291 8.807 1.00 1.00 H new ATOM 0 HB3 LEU A 83 7.775 4.463 7.824 1.00 1.00 H new ATOM 0 HG LEU A 83 8.017 6.633 6.265 1.00 1.00 H new ATOM 0 HD11 LEU A 83 10.344 7.482 6.246 1.00 1.00 H new ATOM 0 HD12 LEU A 83 9.538 7.841 7.791 1.00 1.00 H new ATOM 0 HD13 LEU A 83 10.711 6.507 7.689 1.00 1.00 H new ATOM 0 HD21 LEU A 83 9.783 5.406 4.995 1.00 1.00 H new ATOM 0 HD22 LEU A 83 10.121 4.416 6.434 1.00 1.00 H new ATOM 0 HD23 LEU A 83 8.546 4.287 5.615 1.00 1.00 H new ATOM 1302 N GLN A 84 6.972 5.463 10.909 1.00 1.00 N ATOM 1303 CA GLN A 84 6.385 4.694 12.001 1.00 1.00 C ATOM 1304 C GLN A 84 5.024 5.245 12.403 1.00 1.00 C ATOM 1305 O GLN A 84 4.075 4.482 12.588 1.00 1.00 O ATOM 1306 CB GLN A 84 7.326 4.713 13.208 1.00 1.00 C ATOM 1307 CG GLN A 84 8.673 4.110 12.804 1.00 1.00 C ATOM 1308 CD GLN A 84 8.508 2.648 12.407 1.00 1.00 C ATOM 1309 OE1 GLN A 84 8.090 1.824 13.222 1.00 1.00 O ATOM 1310 NE2 GLN A 84 8.780 2.274 11.187 1.00 1.00 N ATOM 0 H GLN A 84 7.864 5.906 11.129 1.00 1.00 H new ATOM 0 HA GLN A 84 6.245 3.670 11.655 1.00 1.00 H new ATOM 0 HB2 GLN A 84 7.463 5.735 13.562 1.00 1.00 H new ATOM 0 HB3 GLN A 84 6.892 4.146 14.032 1.00 1.00 H new ATOM 0 HG2 GLN A 84 9.095 4.673 11.972 1.00 1.00 H new ATOM 0 HG3 GLN A 84 9.377 4.190 13.632 1.00 1.00 H new ATOM 0 HE21 GLN A 84 9.126 2.954 10.510 1.00 1.00 H new ATOM 0 HE22 GLN A 84 8.646 1.301 10.910 1.00 1.00 H new ATOM 1319 N GLU A 85 4.925 6.558 12.527 1.00 1.00 N ATOM 1320 CA GLU A 85 3.657 7.170 12.896 1.00 1.00 C ATOM 1321 C GLU A 85 2.650 6.981 11.769 1.00 1.00 C ATOM 1322 O GLU A 85 1.462 6.772 12.002 1.00 1.00 O ATOM 1323 CB GLU A 85 3.865 8.661 13.167 1.00 1.00 C ATOM 1324 CG GLU A 85 2.550 9.301 13.619 1.00 1.00 C ATOM 1325 CD GLU A 85 2.783 10.766 13.979 1.00 1.00 C ATOM 1326 OE1 GLU A 85 3.930 11.141 14.144 1.00 1.00 O ATOM 1327 OE2 GLU A 85 1.806 11.489 14.083 1.00 1.00 O ATOM 0 H GLU A 85 5.693 7.213 12.381 1.00 1.00 H new ATOM 0 HA GLU A 85 3.274 6.694 13.799 1.00 1.00 H new ATOM 0 HB2 GLU A 85 4.627 8.796 13.934 1.00 1.00 H new ATOM 0 HB3 GLU A 85 4.228 9.155 12.266 1.00 1.00 H new ATOM 0 HG2 GLU A 85 1.807 9.226 12.825 1.00 1.00 H new ATOM 0 HG3 GLU A 85 2.151 8.765 14.480 1.00 1.00 H new ATOM 1334 N LEU A 86 3.140 7.078 10.542 1.00 1.00 N ATOM 1335 CA LEU A 86 2.284 6.931 9.374 1.00 1.00 C ATOM 1336 C LEU A 86 1.670 5.533 9.276 1.00 1.00 C ATOM 1337 O LEU A 86 0.491 5.398 8.957 1.00 1.00 O ATOM 1338 CB LEU A 86 3.102 7.234 8.111 1.00 1.00 C ATOM 1339 CG LEU A 86 3.307 8.755 7.959 1.00 1.00 C ATOM 1340 CD1 LEU A 86 4.419 9.011 6.944 1.00 1.00 C ATOM 1341 CD2 LEU A 86 2.011 9.432 7.470 1.00 1.00 C ATOM 0 H LEU A 86 4.121 7.257 10.330 1.00 1.00 H new ATOM 0 HA LEU A 86 1.459 7.637 9.471 1.00 1.00 H new ATOM 0 HB2 LEU A 86 4.069 6.734 8.167 1.00 1.00 H new ATOM 0 HB3 LEU A 86 2.589 6.840 7.234 1.00 1.00 H new ATOM 0 HG LEU A 86 3.577 9.172 8.929 1.00 1.00 H new ATOM 0 HD11 LEU A 86 4.569 10.085 6.832 1.00 1.00 H new ATOM 0 HD12 LEU A 86 5.343 8.550 7.293 1.00 1.00 H new ATOM 0 HD13 LEU A 86 4.140 8.581 5.982 1.00 1.00 H new ATOM 0 HD21 LEU A 86 2.177 10.505 7.369 1.00 1.00 H new ATOM 0 HD22 LEU A 86 1.726 9.016 6.504 1.00 1.00 H new ATOM 0 HD23 LEU A 86 1.213 9.254 8.191 1.00 1.00 H new ATOM 1353 N LEU A 87 2.465 4.494 9.534 1.00 1.00 N ATOM 1354 CA LEU A 87 1.943 3.129 9.441 1.00 1.00 C ATOM 1355 C LEU A 87 1.209 2.753 10.719 1.00 1.00 C ATOM 1356 O LEU A 87 0.513 1.743 10.776 1.00 1.00 O ATOM 1357 CB LEU A 87 3.064 2.113 9.139 1.00 1.00 C ATOM 1358 CG LEU A 87 4.212 2.202 10.182 1.00 1.00 C ATOM 1359 CD1 LEU A 87 3.984 1.206 11.331 1.00 1.00 C ATOM 1360 CD2 LEU A 87 5.562 1.899 9.498 1.00 1.00 C ATOM 0 H LEU A 87 3.447 4.565 9.802 1.00 1.00 H new ATOM 0 HA LEU A 87 1.238 3.098 8.610 1.00 1.00 H new ATOM 0 HB2 LEU A 87 2.651 1.104 9.137 1.00 1.00 H new ATOM 0 HB3 LEU A 87 3.463 2.296 8.141 1.00 1.00 H new ATOM 0 HG LEU A 87 4.226 3.211 10.593 1.00 1.00 H new ATOM 0 HD11 LEU A 87 4.800 1.286 12.049 1.00 1.00 H new ATOM 0 HD12 LEU A 87 3.040 1.433 11.827 1.00 1.00 H new ATOM 0 HD13 LEU A 87 3.950 0.192 10.932 1.00 1.00 H new ATOM 0 HD21 LEU A 87 6.365 1.962 10.233 1.00 1.00 H new ATOM 0 HD22 LEU A 87 5.537 0.895 9.073 1.00 1.00 H new ATOM 0 HD23 LEU A 87 5.739 2.625 8.704 1.00 1.00 H new ATOM 1372 N SER A 88 1.351 3.575 11.744 1.00 1.00 N ATOM 1373 CA SER A 88 0.673 3.295 13.001 1.00 1.00 C ATOM 1374 C SER A 88 -0.836 3.314 12.807 1.00 1.00 C ATOM 1375 O SER A 88 -1.555 2.487 13.366 1.00 1.00 O ATOM 1376 CB SER A 88 1.064 4.322 14.066 1.00 1.00 C ATOM 1377 OG SER A 88 2.443 4.179 14.375 1.00 1.00 O ATOM 0 H SER A 88 1.916 4.424 11.735 1.00 1.00 H new ATOM 0 HA SER A 88 0.979 2.304 13.335 1.00 1.00 H new ATOM 0 HB2 SER A 88 0.864 5.331 13.705 1.00 1.00 H new ATOM 0 HB3 SER A 88 0.462 4.179 14.963 1.00 1.00 H new ATOM 0 HG SER A 88 2.925 3.866 13.581 1.00 1.00 H new ATOM 1383 N ALA A 89 -1.312 4.291 12.026 1.00 1.00 N ATOM 1384 CA ALA A 89 -2.754 4.442 11.790 1.00 1.00 C ATOM 1385 C ALA A 89 -3.163 4.038 10.374 1.00 1.00 C ATOM 1386 O ALA A 89 -4.302 3.624 10.153 1.00 1.00 O ATOM 1387 CB ALA A 89 -3.149 5.899 12.038 1.00 1.00 C ATOM 0 H ALA A 89 -0.729 4.981 11.552 1.00 1.00 H new ATOM 0 HA ALA A 89 -3.273 3.775 12.478 1.00 1.00 H new ATOM 0 HB1 ALA A 89 -4.218 6.021 11.865 1.00 1.00 H new ATOM 0 HB2 ALA A 89 -2.915 6.169 13.068 1.00 1.00 H new ATOM 0 HB3 ALA A 89 -2.596 6.547 11.358 1.00 1.00 H new ATOM 1393 N HIS A 90 -2.255 4.170 9.415 1.00 1.00 N ATOM 1394 CA HIS A 90 -2.576 3.823 8.030 1.00 1.00 C ATOM 1395 C HIS A 90 -2.490 2.323 7.793 1.00 1.00 C ATOM 1396 O HIS A 90 -3.062 1.811 6.832 1.00 1.00 O ATOM 1397 CB HIS A 90 -1.609 4.511 7.079 1.00 1.00 C ATOM 1398 CG HIS A 90 -1.724 6.002 7.242 1.00 1.00 C ATOM 1399 ND1 HIS A 90 -2.952 6.624 7.405 1.00 1.00 N ATOM 1400 CD2 HIS A 90 -0.791 7.010 7.259 1.00 1.00 C ATOM 1401 CE1 HIS A 90 -2.732 7.944 7.510 1.00 1.00 C ATOM 1402 NE2 HIS A 90 -1.434 8.237 7.429 1.00 1.00 N ATOM 0 H HIS A 90 -1.304 4.509 9.563 1.00 1.00 H new ATOM 0 HA HIS A 90 -3.597 4.155 7.845 1.00 1.00 H new ATOM 0 HB2 HIS A 90 -0.588 4.189 7.285 1.00 1.00 H new ATOM 0 HB3 HIS A 90 -1.831 4.228 6.050 1.00 1.00 H new ATOM 0 HD2 HIS A 90 0.276 6.874 7.157 1.00 1.00 H new ATOM 0 HE1 HIS A 90 -3.512 8.679 7.644 1.00 1.00 H new ATOM 0 HE2 HIS A 90 -1.003 9.160 7.480 1.00 1.00 H new ATOM 1411 N SER A 91 -1.750 1.625 8.643 1.00 1.00 N ATOM 1412 CA SER A 91 -1.592 0.200 8.472 1.00 1.00 C ATOM 1413 C SER A 91 -2.928 -0.484 8.584 1.00 1.00 C ATOM 1414 O SER A 91 -3.627 -0.391 9.593 1.00 1.00 O ATOM 1415 CB SER A 91 -0.657 -0.376 9.521 1.00 1.00 C ATOM 1416 OG SER A 91 -0.689 -1.795 9.448 1.00 1.00 O ATOM 0 H SER A 91 -1.259 2.021 9.445 1.00 1.00 H new ATOM 0 HA SER A 91 -1.165 0.029 7.484 1.00 1.00 H new ATOM 0 HB2 SER A 91 0.358 -0.015 9.358 1.00 1.00 H new ATOM 0 HB3 SER A 91 -0.958 -0.044 10.515 1.00 1.00 H new ATOM 0 HG SER A 91 -0.766 -2.167 10.351 1.00 1.00 H new ATOM 1422 N LEU A 92 -3.246 -1.186 7.533 1.00 1.00 N ATOM 1423 CA LEU A 92 -4.489 -1.945 7.437 1.00 1.00 C ATOM 1424 C LEU A 92 -4.241 -3.410 7.762 1.00 1.00 C ATOM 1425 O LEU A 92 -5.155 -4.230 7.677 1.00 1.00 O ATOM 1426 CB LEU A 92 -5.028 -1.838 6.011 1.00 1.00 C ATOM 1427 CG LEU A 92 -5.419 -0.387 5.698 1.00 1.00 C ATOM 1428 CD1 LEU A 92 -5.559 -0.216 4.179 1.00 1.00 C ATOM 1429 CD2 LEU A 92 -6.763 -0.035 6.347 1.00 1.00 C ATOM 0 H LEU A 92 -2.654 -1.257 6.705 1.00 1.00 H new ATOM 0 HA LEU A 92 -5.209 -1.539 8.148 1.00 1.00 H new ATOM 0 HB2 LEU A 92 -4.273 -2.179 5.303 1.00 1.00 H new ATOM 0 HB3 LEU A 92 -5.894 -2.489 5.892 1.00 1.00 H new ATOM 0 HG LEU A 92 -4.644 0.270 6.092 1.00 1.00 H new ATOM 0 HD11 LEU A 92 -5.837 0.813 3.953 1.00 1.00 H new ATOM 0 HD12 LEU A 92 -4.610 -0.450 3.697 1.00 1.00 H new ATOM 0 HD13 LEU A 92 -6.330 -0.890 3.807 1.00 1.00 H new ATOM 0 HD21 LEU A 92 -7.021 0.998 6.112 1.00 1.00 H new ATOM 0 HD22 LEU A 92 -7.538 -0.699 5.963 1.00 1.00 H new ATOM 0 HD23 LEU A 92 -6.687 -0.153 7.428 1.00 1.00 H new ATOM 1441 N SER A 93 -3.004 -3.735 8.123 1.00 1.00 N ATOM 1442 CA SER A 93 -2.650 -5.117 8.439 1.00 1.00 C ATOM 1443 C SER A 93 -1.548 -5.157 9.493 1.00 1.00 C ATOM 1444 O SER A 93 -0.846 -4.169 9.705 1.00 1.00 O ATOM 1445 CB SER A 93 -2.177 -5.812 7.165 1.00 1.00 C ATOM 1446 OG SER A 93 -1.168 -5.022 6.552 1.00 1.00 O ATOM 0 H SER A 93 -2.236 -3.069 8.204 1.00 1.00 H new ATOM 0 HA SER A 93 -3.525 -5.631 8.838 1.00 1.00 H new ATOM 0 HB2 SER A 93 -1.788 -6.803 7.399 1.00 1.00 H new ATOM 0 HB3 SER A 93 -3.013 -5.952 6.480 1.00 1.00 H new ATOM 0 HG SER A 93 -0.286 -5.389 6.772 1.00 1.00 H new ATOM 1452 N SER A 94 -1.400 -6.309 10.159 1.00 1.00 N ATOM 1453 CA SER A 94 -0.379 -6.464 11.205 1.00 1.00 C ATOM 1454 C SER A 94 0.651 -7.522 10.823 1.00 1.00 C ATOM 1455 O SER A 94 1.117 -8.286 11.669 1.00 1.00 O ATOM 1456 CB SER A 94 -1.050 -6.843 12.525 1.00 1.00 C ATOM 1457 OG SER A 94 -0.058 -7.216 13.472 1.00 1.00 O ATOM 0 H SER A 94 -1.968 -7.140 9.995 1.00 1.00 H new ATOM 0 HA SER A 94 0.142 -5.513 11.317 1.00 1.00 H new ATOM 0 HB2 SER A 94 -1.632 -6.003 12.904 1.00 1.00 H new ATOM 0 HB3 SER A 94 -1.746 -7.667 12.368 1.00 1.00 H new ATOM 0 HG SER A 94 0.367 -8.052 13.188 1.00 1.00 H new ATOM 1463 N TRP A 95 1.010 -7.545 9.543 1.00 1.00 N ATOM 1464 CA TRP A 95 2.003 -8.490 9.031 1.00 1.00 C ATOM 1465 C TRP A 95 2.874 -7.806 7.981 1.00 1.00 C ATOM 1466 O TRP A 95 2.518 -6.748 7.463 1.00 1.00 O ATOM 1467 CB TRP A 95 1.307 -9.721 8.438 1.00 1.00 C ATOM 1468 CG TRP A 95 0.638 -9.374 7.152 1.00 1.00 C ATOM 1469 CD1 TRP A 95 1.271 -9.146 5.981 1.00 1.00 C ATOM 1470 CD2 TRP A 95 -0.782 -9.222 6.888 1.00 1.00 C ATOM 1471 NE1 TRP A 95 0.324 -8.854 5.015 1.00 1.00 N ATOM 1472 CE2 TRP A 95 -0.957 -8.887 5.529 1.00 1.00 C ATOM 1473 CE3 TRP A 95 -1.925 -9.338 7.699 1.00 1.00 C ATOM 1474 CZ2 TRP A 95 -2.226 -8.687 4.979 1.00 1.00 C ATOM 1475 CZ3 TRP A 95 -3.200 -9.126 7.157 1.00 1.00 C ATOM 1476 CH2 TRP A 95 -3.352 -8.800 5.802 1.00 1.00 C ATOM 0 H TRP A 95 0.627 -6.917 8.836 1.00 1.00 H new ATOM 0 HA TRP A 95 2.639 -8.820 9.852 1.00 1.00 H new ATOM 0 HB2 TRP A 95 2.036 -10.514 8.273 1.00 1.00 H new ATOM 0 HB3 TRP A 95 0.572 -10.106 9.145 1.00 1.00 H new ATOM 0 HD1 TRP A 95 2.339 -9.185 5.824 1.00 1.00 H new ATOM 0 HE1 TRP A 95 0.545 -8.641 4.042 1.00 1.00 H new ATOM 0 HE3 TRP A 95 -1.820 -9.591 8.744 1.00 1.00 H new ATOM 0 HZ2 TRP A 95 -2.336 -8.448 3.932 1.00 1.00 H new ATOM 0 HZ3 TRP A 95 -4.072 -9.214 7.788 1.00 1.00 H new ATOM 0 HH2 TRP A 95 -4.338 -8.636 5.393 1.00 1.00 H new ATOM 1487 N GLY A 96 4.016 -8.410 7.678 1.00 1.00 N ATOM 1488 CA GLY A 96 4.941 -7.844 6.699 1.00 1.00 C ATOM 1489 C GLY A 96 6.376 -8.212 7.049 1.00 1.00 C ATOM 1490 O GLY A 96 7.236 -7.341 7.181 1.00 1.00 O ATOM 0 H GLY A 96 4.325 -9.289 8.093 1.00 1.00 H new ATOM 0 HA2 GLY A 96 4.697 -8.213 5.703 1.00 1.00 H new ATOM 0 HA3 GLY A 96 4.833 -6.760 6.672 1.00 1.00 H new ATOM 1494 N ALA A 97 6.620 -9.509 7.195 1.00 1.00 N ATOM 1495 CA ALA A 97 7.951 -10.010 7.533 1.00 1.00 C ATOM 1496 C ALA A 97 8.224 -9.827 9.025 1.00 1.00 C ATOM 1497 O ALA A 97 9.071 -9.028 9.423 1.00 1.00 O ATOM 1498 CB ALA A 97 9.017 -9.276 6.698 1.00 1.00 C ATOM 0 H ALA A 97 5.913 -10.236 7.085 1.00 1.00 H new ATOM 0 HA ALA A 97 7.996 -11.074 7.303 1.00 1.00 H new ATOM 0 HB1 ALA A 97 10.006 -9.655 6.956 1.00 1.00 H new ATOM 0 HB2 ALA A 97 8.829 -9.445 5.638 1.00 1.00 H new ATOM 0 HB3 ALA A 97 8.972 -8.207 6.909 1.00 1.00 H new ATOM 1504 N GLU A 98 7.493 -10.583 9.840 1.00 1.00 N ATOM 1505 CA GLU A 98 7.653 -10.513 11.289 1.00 1.00 C ATOM 1506 C GLU A 98 7.512 -9.071 11.770 1.00 1.00 C ATOM 1507 O GLU A 98 7.547 -8.135 10.972 1.00 1.00 O ATOM 1508 CB GLU A 98 9.027 -11.060 11.687 1.00 1.00 C ATOM 1509 CG GLU A 98 9.108 -12.552 11.340 1.00 1.00 C ATOM 1510 CD GLU A 98 8.105 -13.341 12.176 1.00 1.00 C ATOM 1511 OE1 GLU A 98 8.120 -13.185 13.387 1.00 1.00 O ATOM 1512 OE2 GLU A 98 7.318 -14.067 11.592 1.00 1.00 O ATOM 0 H GLU A 98 6.787 -11.248 9.523 1.00 1.00 H new ATOM 0 HA GLU A 98 6.875 -11.117 11.757 1.00 1.00 H new ATOM 0 HB2 GLU A 98 9.812 -10.512 11.166 1.00 1.00 H new ATOM 0 HB3 GLU A 98 9.192 -10.915 12.755 1.00 1.00 H new ATOM 0 HG2 GLU A 98 8.903 -12.698 10.279 1.00 1.00 H new ATOM 0 HG3 GLU A 98 10.117 -12.922 11.524 1.00 1.00 H new ATOM 1519 N VAL A 99 7.345 -8.888 13.084 1.00 1.00 N ATOM 1520 CA VAL A 99 7.195 -7.548 13.660 1.00 1.00 C ATOM 1521 C VAL A 99 8.269 -7.295 14.714 1.00 1.00 C ATOM 1522 O VAL A 99 8.446 -8.086 15.641 1.00 1.00 O ATOM 1523 CB VAL A 99 5.807 -7.427 14.296 1.00 1.00 C ATOM 1524 CG1 VAL A 99 5.640 -6.033 14.907 1.00 1.00 C ATOM 1525 CG2 VAL A 99 4.742 -7.637 13.218 1.00 1.00 C ATOM 0 H VAL A 99 7.310 -9.646 13.765 1.00 1.00 H new ATOM 0 HA VAL A 99 7.306 -6.806 12.869 1.00 1.00 H new ATOM 0 HB VAL A 99 5.697 -8.179 15.077 1.00 1.00 H new ATOM 0 HG11 VAL A 99 4.652 -5.950 15.359 1.00 1.00 H new ATOM 0 HG12 VAL A 99 6.402 -5.877 15.670 1.00 1.00 H new ATOM 0 HG13 VAL A 99 5.747 -5.279 14.127 1.00 1.00 H new ATOM 0 HG21 VAL A 99 3.751 -7.552 13.664 1.00 1.00 H new ATOM 0 HG22 VAL A 99 4.856 -6.881 12.441 1.00 1.00 H new ATOM 0 HG23 VAL A 99 4.859 -8.628 12.779 1.00 1.00 H new ATOM 1535 N LYS A 100 8.977 -6.178 14.556 1.00 1.00 N ATOM 1536 CA LYS A 100 10.038 -5.791 15.485 1.00 1.00 C ATOM 1537 C LYS A 100 9.567 -4.625 16.345 1.00 1.00 C ATOM 1538 O LYS A 100 9.719 -4.627 17.566 1.00 1.00 O ATOM 1539 CB LYS A 100 11.285 -5.372 14.693 1.00 1.00 C ATOM 1540 CG LYS A 100 11.742 -6.527 13.754 1.00 1.00 C ATOM 1541 CD LYS A 100 11.580 -6.115 12.284 1.00 1.00 C ATOM 1542 CE LYS A 100 11.859 -7.318 11.383 1.00 1.00 C ATOM 1543 NZ LYS A 100 11.603 -6.945 9.961 1.00 1.00 N ATOM 0 H LYS A 100 8.834 -5.521 13.789 1.00 1.00 H new ATOM 0 HA LYS A 100 10.282 -6.638 16.127 1.00 1.00 H new ATOM 0 HB2 LYS A 100 11.068 -4.480 14.105 1.00 1.00 H new ATOM 0 HB3 LYS A 100 12.090 -5.112 15.380 1.00 1.00 H new ATOM 0 HG2 LYS A 100 12.783 -6.778 13.956 1.00 1.00 H new ATOM 0 HG3 LYS A 100 11.154 -7.422 13.955 1.00 1.00 H new ATOM 0 HD2 LYS A 100 10.571 -5.743 12.109 1.00 1.00 H new ATOM 0 HD3 LYS A 100 12.266 -5.302 12.046 1.00 1.00 H new ATOM 0 HE2 LYS A 100 12.892 -7.645 11.504 1.00 1.00 H new ATOM 0 HE3 LYS A 100 11.224 -8.156 11.670 1.00 1.00 H new ATOM 0 HZ1 LYS A 100 10.814 -7.512 9.590 1.00 1.00 H new ATOM 0 HZ2 LYS A 100 11.360 -5.935 9.905 1.00 1.00 H new ATOM 0 HZ3 LYS A 100 12.456 -7.127 9.395 1.00 1.00 H new ATOM 1557 N HIS A 101 8.965 -3.640 15.685 1.00 1.00 N ATOM 1558 CA HIS A 101 8.440 -2.461 16.363 1.00 1.00 C ATOM 1559 C HIS A 101 7.104 -2.782 17.026 1.00 1.00 C ATOM 1560 O HIS A 101 6.126 -2.055 16.857 1.00 1.00 O ATOM 1561 CB HIS A 101 8.248 -1.339 15.343 1.00 1.00 C ATOM 1562 CG HIS A 101 7.736 -0.102 16.033 1.00 1.00 C ATOM 1563 ND1 HIS A 101 6.417 0.305 15.920 1.00 1.00 N ATOM 1564 CD2 HIS A 101 8.349 0.820 16.846 1.00 1.00 C ATOM 1565 CE1 HIS A 101 6.277 1.430 16.646 1.00 1.00 C ATOM 1566 NE2 HIS A 101 7.424 1.788 17.230 1.00 1.00 N ATOM 0 H HIS A 101 8.828 -3.636 14.674 1.00 1.00 H new ATOM 0 HA HIS A 101 9.146 -2.147 17.132 1.00 1.00 H new ATOM 0 HB2 HIS A 101 9.193 -1.123 14.844 1.00 1.00 H new ATOM 0 HB3 HIS A 101 7.545 -1.653 14.572 1.00 1.00 H new ATOM 0 HD2 HIS A 101 9.387 0.798 17.142 1.00 1.00 H new ATOM 0 HE1 HIS A 101 5.351 1.976 16.744 1.00 1.00 H new ATOM 0 HE2 HIS A 101 7.587 2.597 17.829 1.00 1.00 H new ATOM 1575 N HIS A 102 7.064 -3.887 17.763 1.00 1.00 N ATOM 1576 CA HIS A 102 5.832 -4.300 18.427 1.00 1.00 C ATOM 1577 C HIS A 102 5.270 -3.165 19.279 1.00 1.00 C ATOM 1578 O HIS A 102 5.837 -2.800 20.306 1.00 1.00 O ATOM 1579 CB HIS A 102 6.105 -5.518 19.309 1.00 1.00 C ATOM 1580 CG HIS A 102 4.801 -6.039 19.850 1.00 1.00 C ATOM 1581 ND1 HIS A 102 4.373 -5.775 21.141 1.00 1.00 N ATOM 1582 CD2 HIS A 102 3.815 -6.806 19.278 1.00 1.00 C ATOM 1583 CE1 HIS A 102 3.178 -6.369 21.303 1.00 1.00 C ATOM 1584 NE2 HIS A 102 2.790 -7.011 20.197 1.00 1.00 N ATOM 0 H HIS A 102 7.860 -4.507 17.915 1.00 1.00 H new ATOM 0 HA HIS A 102 5.098 -4.558 17.664 1.00 1.00 H new ATOM 0 HB2 HIS A 102 6.609 -6.294 18.733 1.00 1.00 H new ATOM 0 HB3 HIS A 102 6.770 -5.247 20.129 1.00 1.00 H new ATOM 0 HD2 HIS A 102 3.833 -7.191 18.269 1.00 1.00 H new ATOM 0 HE1 HIS A 102 2.602 -6.332 22.216 1.00 1.00 H new ATOM 0 HE2 HIS A 102 1.928 -7.538 20.057 1.00 1.00 H new ATOM 1593 N HIS A 103 4.132 -2.630 18.843 1.00 1.00 N ATOM 1594 CA HIS A 103 3.463 -1.546 19.559 1.00 1.00 C ATOM 1595 C HIS A 103 1.958 -1.617 19.333 1.00 1.00 C ATOM 1596 O HIS A 103 1.205 -0.770 19.813 1.00 1.00 O ATOM 1597 CB HIS A 103 3.994 -0.199 19.068 1.00 1.00 C ATOM 1598 CG HIS A 103 3.499 0.901 19.967 1.00 1.00 C ATOM 1599 ND1 HIS A 103 2.327 1.596 19.711 1.00 1.00 N ATOM 1600 CD2 HIS A 103 4.014 1.445 21.117 1.00 1.00 C ATOM 1601 CE1 HIS A 103 2.181 2.514 20.684 1.00 1.00 C ATOM 1602 NE2 HIS A 103 3.181 2.466 21.569 1.00 1.00 N ATOM 0 H HIS A 103 3.652 -2.931 17.994 1.00 1.00 H new ATOM 0 HA HIS A 103 3.666 -1.649 20.625 1.00 1.00 H new ATOM 0 HB2 HIS A 103 5.084 -0.209 19.057 1.00 1.00 H new ATOM 0 HB3 HIS A 103 3.666 -0.020 18.044 1.00 1.00 H new ATOM 0 HD2 HIS A 103 4.927 1.129 21.599 1.00 1.00 H new ATOM 0 HE1 HIS A 103 1.354 3.207 20.743 1.00 1.00 H new ATOM 0 HE2 HIS A 103 3.307 3.050 22.396 1.00 1.00 H new ATOM 1611 N HIS A 104 1.529 -2.635 18.593 1.00 1.00 N ATOM 1612 CA HIS A 104 0.115 -2.819 18.287 1.00 1.00 C ATOM 1613 C HIS A 104 -0.693 -2.978 19.573 1.00 1.00 C ATOM 1614 O HIS A 104 -1.737 -2.347 19.745 1.00 1.00 O ATOM 1615 CB HIS A 104 -0.045 -4.077 17.428 1.00 1.00 C ATOM 1616 CG HIS A 104 -1.485 -4.273 17.035 1.00 1.00 C ATOM 1617 ND1 HIS A 104 -2.537 -3.660 17.700 1.00 1.00 N ATOM 1618 CD2 HIS A 104 -2.059 -5.025 16.041 1.00 1.00 C ATOM 1619 CE1 HIS A 104 -3.678 -4.050 17.100 1.00 1.00 C ATOM 1620 NE2 HIS A 104 -3.442 -4.886 16.083 1.00 1.00 N ATOM 0 H HIS A 104 2.142 -3.346 18.194 1.00 1.00 H new ATOM 0 HA HIS A 104 -0.253 -1.945 17.750 1.00 1.00 H new ATOM 0 HB2 HIS A 104 0.573 -3.994 16.534 1.00 1.00 H new ATOM 0 HB3 HIS A 104 0.308 -4.948 17.980 1.00 1.00 H new ATOM 0 HD1 HIS A 104 -2.460 -3.029 18.498 1.00 1.00 H new ATOM 0 HD2 HIS A 104 -1.518 -5.634 15.332 1.00 1.00 H new ATOM 0 HE1 HIS A 104 -4.663 -3.727 17.403 1.00 1.00 H new ATOM 1629 N HIS A 105 -0.195 -3.818 20.482 1.00 1.00 N ATOM 1630 CA HIS A 105 -0.869 -4.062 21.762 1.00 1.00 C ATOM 1631 C HIS A 105 -0.032 -3.517 22.917 1.00 1.00 C ATOM 1632 O HIS A 105 1.190 -3.670 22.938 1.00 1.00 O ATOM 1633 CB HIS A 105 -1.078 -5.566 21.950 1.00 1.00 C ATOM 1634 CG HIS A 105 -1.967 -6.079 20.851 1.00 1.00 C ATOM 1635 ND1 HIS A 105 -3.334 -5.849 20.831 1.00 1.00 N ATOM 1636 CD2 HIS A 105 -1.689 -6.783 19.706 1.00 1.00 C ATOM 1637 CE1 HIS A 105 -3.822 -6.401 19.704 1.00 1.00 C ATOM 1638 NE2 HIS A 105 -2.860 -6.981 18.981 1.00 1.00 N ATOM 0 H HIS A 105 0.672 -4.341 20.357 1.00 1.00 H new ATOM 0 HA HIS A 105 -1.833 -3.553 21.755 1.00 1.00 H new ATOM 0 HB2 HIS A 105 -0.119 -6.084 21.931 1.00 1.00 H new ATOM 0 HB3 HIS A 105 -1.529 -5.765 22.922 1.00 1.00 H new ATOM 0 HD2 HIS A 105 -0.710 -7.131 19.412 1.00 1.00 H new ATOM 0 HE1 HIS A 105 -4.864 -6.378 19.419 1.00 1.00 H new ATOM 0 HE2 HIS A 105 -2.962 -7.465 18.089 1.00 1.00 H new ATOM 1647 N HIS A 106 -0.693 -2.885 23.880 1.00 1.00 N ATOM 1648 CA HIS A 106 0.005 -2.327 25.031 1.00 1.00 C ATOM 1649 C HIS A 106 -0.996 -1.864 26.084 1.00 1.00 C ATOM 1650 O HIS A 106 -0.593 -1.161 26.997 1.00 1.00 O ATOM 1651 CB HIS A 106 0.890 -1.157 24.592 1.00 1.00 C ATOM 1652 CG HIS A 106 0.028 -0.006 24.153 1.00 1.00 C ATOM 1653 ND1 HIS A 106 -0.351 1.004 25.022 1.00 1.00 N ATOM 1654 CD2 HIS A 106 -0.562 0.294 22.950 1.00 1.00 C ATOM 1655 CE1 HIS A 106 -1.139 1.854 24.340 1.00 1.00 C ATOM 1656 NE2 HIS A 106 -1.297 1.470 23.072 1.00 1.00 N ATOM 1657 OXT HIS A 106 -2.152 -2.235 25.969 1.00 1.00 O ATOM 0 H HIS A 106 -1.704 -2.747 23.887 1.00 1.00 H new ATOM 0 HA HIS A 106 0.636 -3.102 25.468 1.00 1.00 H new ATOM 0 HB2 HIS A 106 1.535 -0.848 25.415 1.00 1.00 H new ATOM 0 HB3 HIS A 106 1.542 -1.468 23.775 1.00 1.00 H new ATOM 0 HD2 HIS A 106 -0.470 -0.292 22.048 1.00 1.00 H new ATOM 0 HE1 HIS A 106 -1.589 2.739 24.766 1.00 1.00 H new ATOM 0 HE2 HIS A 106 -1.840 1.938 22.347 1.00 1.00 H new TER 1666 HIS A 106