USER MOD reduce.3.24.130724 H: found=0, std=0, add=732, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 759 hydrogens (29 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 59 TYR OH : rot 11:sc= 1.26 USER MOD Set 1.2: A 63 LYS NZ :NH3+ -143:sc= 1.19 (180deg=0.566) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 ASN : amide:sc= 0.234 X(o=0.23,f=0) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 173:sc= 0.951 (180deg=0.915) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= -0.3 X(o=-0.3,f=-0.0042) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 46 MET CE :methyl -173:sc= -0.099 (180deg=-0.212) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.0766 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl 166:sc= -0.319 (180deg=-0.833) USER MOD Single : A 54 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -0.16 X(o=-0.16,f=0) USER MOD Single : A 61 MET CE :methyl -174:sc= -1.44 (180deg=-1.64) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= 0.579 K(o=0.58,f=-3.8!) USER MOD Single : A 69 GLN : amide:sc= 0.0311 X(o=0.031,f=-0.19) USER MOD Single : A 71 GLN : amide:sc= 0.832 K(o=0.83,f=-0.36) USER MOD Single : A 72 HIS : no HD1:sc= -0.0481 K(o=-0.048,f=-0.65) USER MOD Single : A 73 MET CE :methyl -118:sc= -0.0977 (180deg=-0.298) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 CYS SG : rot 180:sc= -0.0853 USER MOD Single : A 88 GLN : amide:sc= -0.0401 X(o=-0.04,f=-0.16) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 170:sc= 0.256 USER MOD Single : A 93 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.02) USER MOD Single : A 96 SER OG : rot 90:sc= 1.24 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 MET CE :methyl -100:sc= -0.036 (180deg=-0.413) USER MOD Single : A 104 LYS NZ :NH3+ 156:sc= 1.21 (180deg=0.885) USER MOD Single : A 105 ASN : amide:sc= 1.16 K(o=1.2,f=-1) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 23 3.850 12.898 12.411 1.00 0.00 N ATOM 2 CA GLN A 23 5.299 13.069 12.559 1.00 0.00 C ATOM 3 C GLN A 23 6.105 12.438 11.403 1.00 0.00 C ATOM 4 O GLN A 23 5.554 11.784 10.510 1.00 0.00 O ATOM 5 CB GLN A 23 5.749 12.551 13.942 1.00 0.00 C ATOM 6 CG GLN A 23 5.579 11.033 14.133 1.00 0.00 C ATOM 7 CD GLN A 23 6.015 10.588 15.529 1.00 0.00 C ATOM 8 OE1 GLN A 23 7.129 10.128 15.750 1.00 0.00 O ATOM 9 NE2 GLN A 23 5.168 10.715 16.532 1.00 0.00 N ATOM 0 HA GLN A 23 5.515 14.136 12.502 1.00 0.00 H new ATOM 0 HB2 GLN A 23 6.797 12.809 14.091 1.00 0.00 H new ATOM 0 HB3 GLN A 23 5.180 13.069 14.714 1.00 0.00 H new ATOM 0 HG2 GLN A 23 4.536 10.760 13.973 1.00 0.00 H new ATOM 0 HG3 GLN A 23 6.166 10.504 13.382 1.00 0.00 H new ATOM 0 HE21 GLN A 23 4.236 11.096 16.368 1.00 0.00 H new ATOM 0 HE22 GLN A 23 5.445 10.432 17.472 1.00 0.00 H new ATOM 18 N ILE A 24 7.429 12.629 11.430 1.00 0.00 N ATOM 19 CA ILE A 24 8.381 12.089 10.445 1.00 0.00 C ATOM 20 C ILE A 24 8.288 10.553 10.402 1.00 0.00 C ATOM 21 O ILE A 24 8.370 9.883 11.435 1.00 0.00 O ATOM 22 CB ILE A 24 9.816 12.560 10.786 1.00 0.00 C ATOM 23 CG1 ILE A 24 9.938 14.104 10.747 1.00 0.00 C ATOM 24 CG2 ILE A 24 10.860 11.950 9.830 1.00 0.00 C ATOM 25 CD1 ILE A 24 11.018 14.622 11.704 1.00 0.00 C ATOM 0 H ILE A 24 7.884 13.180 12.158 1.00 0.00 H new ATOM 0 HA ILE A 24 8.128 12.465 9.454 1.00 0.00 H new ATOM 0 HB ILE A 24 10.016 12.213 11.800 1.00 0.00 H new ATOM 0 HG12 ILE A 24 10.171 14.423 9.731 1.00 0.00 H new ATOM 0 HG13 ILE A 24 8.978 14.550 11.009 1.00 0.00 H new ATOM 0 HG21 ILE A 24 11.854 12.305 10.102 1.00 0.00 H new ATOM 0 HG22 ILE A 24 10.830 10.863 9.904 1.00 0.00 H new ATOM 0 HG23 ILE A 24 10.635 12.250 8.807 1.00 0.00 H new ATOM 0 HD11 ILE A 24 11.068 15.709 11.643 1.00 0.00 H new ATOM 0 HD12 ILE A 24 10.772 14.327 12.724 1.00 0.00 H new ATOM 0 HD13 ILE A 24 11.983 14.199 11.427 1.00 0.00 H new ATOM 37 N ASN A 25 8.133 10.001 9.195 1.00 0.00 N ATOM 38 CA ASN A 25 8.121 8.559 8.918 1.00 0.00 C ATOM 39 C ASN A 25 9.391 8.118 8.168 1.00 0.00 C ATOM 40 O ASN A 25 10.149 8.944 7.651 1.00 0.00 O ATOM 41 CB ASN A 25 6.845 8.198 8.141 1.00 0.00 C ATOM 42 CG ASN A 25 5.648 7.941 9.046 1.00 0.00 C ATOM 43 OD1 ASN A 25 5.220 6.810 9.229 1.00 0.00 O ATOM 44 ND2 ASN A 25 5.067 8.953 9.652 1.00 0.00 N ATOM 0 H ASN A 25 8.008 10.564 8.354 1.00 0.00 H new ATOM 0 HA ASN A 25 8.118 8.017 9.864 1.00 0.00 H new ATOM 0 HB2 ASN A 25 6.605 9.008 7.452 1.00 0.00 H new ATOM 0 HB3 ASN A 25 7.033 7.311 7.537 1.00 0.00 H new ATOM 0 HD21 ASN A 25 4.269 8.790 10.266 1.00 0.00 H new ATOM 0 HD22 ASN A 25 5.414 9.901 9.508 1.00 0.00 H new ATOM 51 N GLN A 26 9.633 6.804 8.111 1.00 0.00 N ATOM 52 CA GLN A 26 10.884 6.259 7.614 1.00 0.00 C ATOM 53 C GLN A 26 11.044 6.399 6.096 1.00 0.00 C ATOM 54 O GLN A 26 10.188 6.022 5.296 1.00 0.00 O ATOM 55 CB GLN A 26 11.022 4.784 8.043 1.00 0.00 C ATOM 56 CG GLN A 26 9.785 3.914 7.720 1.00 0.00 C ATOM 57 CD GLN A 26 10.169 2.509 7.264 1.00 0.00 C ATOM 58 OE1 GLN A 26 10.366 1.593 8.054 1.00 0.00 O ATOM 59 NE2 GLN A 26 10.305 2.291 5.972 1.00 0.00 N ATOM 0 H GLN A 26 8.963 6.096 8.410 1.00 0.00 H new ATOM 0 HA GLN A 26 11.686 6.848 8.059 1.00 0.00 H new ATOM 0 HB2 GLN A 26 11.894 4.354 7.551 1.00 0.00 H new ATOM 0 HB3 GLN A 26 11.210 4.745 9.116 1.00 0.00 H new ATOM 0 HG2 GLN A 26 9.150 3.846 8.604 1.00 0.00 H new ATOM 0 HG3 GLN A 26 9.196 4.398 6.941 1.00 0.00 H new ATOM 0 HE21 GLN A 26 10.143 3.048 5.307 1.00 0.00 H new ATOM 0 HE22 GLN A 26 10.572 1.366 5.636 1.00 0.00 H new ATOM 68 N VAL A 27 12.229 6.870 5.730 1.00 0.00 N ATOM 69 CA VAL A 27 12.799 6.944 4.370 1.00 0.00 C ATOM 70 C VAL A 27 14.319 7.175 4.426 1.00 0.00 C ATOM 71 O VAL A 27 14.861 7.516 5.478 1.00 0.00 O ATOM 72 CB VAL A 27 12.113 8.083 3.578 1.00 0.00 C ATOM 73 CG1 VAL A 27 12.483 9.457 4.131 1.00 0.00 C ATOM 74 CG2 VAL A 27 12.403 8.045 2.067 1.00 0.00 C ATOM 0 H VAL A 27 12.877 7.243 6.424 1.00 0.00 H new ATOM 0 HA VAL A 27 12.619 5.995 3.864 1.00 0.00 H new ATOM 0 HB VAL A 27 11.044 7.913 3.710 1.00 0.00 H new ATOM 0 HG11 VAL A 27 11.982 10.230 3.549 1.00 0.00 H new ATOM 0 HG12 VAL A 27 12.169 9.526 5.173 1.00 0.00 H new ATOM 0 HG13 VAL A 27 13.562 9.596 4.067 1.00 0.00 H new ATOM 0 HG21 VAL A 27 11.890 8.872 1.577 1.00 0.00 H new ATOM 0 HG22 VAL A 27 13.476 8.134 1.900 1.00 0.00 H new ATOM 0 HG23 VAL A 27 12.048 7.101 1.652 1.00 0.00 H new ATOM 84 N ARG A 28 14.997 7.068 3.276 1.00 0.00 N ATOM 85 CA ARG A 28 16.390 7.502 3.087 1.00 0.00 C ATOM 86 C ARG A 28 16.650 7.805 1.588 1.00 0.00 C ATOM 87 O ARG A 28 16.749 6.860 0.803 1.00 0.00 O ATOM 88 CB ARG A 28 17.316 6.378 3.621 1.00 0.00 C ATOM 89 CG ARG A 28 18.799 6.765 3.761 1.00 0.00 C ATOM 90 CD ARG A 28 19.138 7.419 5.111 1.00 0.00 C ATOM 91 NE ARG A 28 18.499 8.737 5.295 1.00 0.00 N ATOM 92 CZ ARG A 28 18.921 9.894 4.816 1.00 0.00 C ATOM 93 NH1 ARG A 28 19.985 10.028 4.085 1.00 0.00 N ATOM 94 NH2 ARG A 28 18.269 10.991 5.024 1.00 0.00 N ATOM 0 H ARG A 28 14.585 6.669 2.432 1.00 0.00 H new ATOM 0 HA ARG A 28 16.593 8.421 3.637 1.00 0.00 H new ATOM 0 HB2 ARG A 28 16.947 6.057 4.595 1.00 0.00 H new ATOM 0 HB3 ARG A 28 17.242 5.520 2.953 1.00 0.00 H new ATOM 0 HG2 ARG A 28 19.412 5.873 3.634 1.00 0.00 H new ATOM 0 HG3 ARG A 28 19.065 7.451 2.957 1.00 0.00 H new ATOM 0 HD2 ARG A 28 18.826 6.755 5.917 1.00 0.00 H new ATOM 0 HD3 ARG A 28 20.219 7.532 5.191 1.00 0.00 H new ATOM 0 HE ARG A 28 17.643 8.757 5.849 1.00 0.00 H new ATOM 0 HH11 ARG A 28 20.548 9.211 3.850 1.00 0.00 H new ATOM 0 HH12 ARG A 28 20.258 10.950 3.746 1.00 0.00 H new ATOM 0 HH21 ARG A 28 17.407 10.976 5.569 1.00 0.00 H new ATOM 0 HH22 ARG A 28 18.617 11.871 4.643 1.00 0.00 H new ATOM 108 N PRO A 29 16.686 9.081 1.152 1.00 0.00 N ATOM 109 CA PRO A 29 16.891 9.462 -0.251 1.00 0.00 C ATOM 110 C PRO A 29 18.376 9.539 -0.653 1.00 0.00 C ATOM 111 O PRO A 29 19.271 9.690 0.182 1.00 0.00 O ATOM 112 CB PRO A 29 16.194 10.819 -0.394 1.00 0.00 C ATOM 113 CG PRO A 29 16.456 11.453 0.969 1.00 0.00 C ATOM 114 CD PRO A 29 16.365 10.270 1.931 1.00 0.00 C ATOM 0 HA PRO A 29 16.479 8.708 -0.922 1.00 0.00 H new ATOM 0 HB2 PRO A 29 16.615 11.410 -1.207 1.00 0.00 H new ATOM 0 HB3 PRO A 29 15.128 10.711 -0.596 1.00 0.00 H new ATOM 0 HG2 PRO A 29 17.435 11.930 1.009 1.00 0.00 H new ATOM 0 HG3 PRO A 29 15.718 12.220 1.204 1.00 0.00 H new ATOM 0 HD2 PRO A 29 17.061 10.390 2.761 1.00 0.00 H new ATOM 0 HD3 PRO A 29 15.366 10.195 2.361 1.00 0.00 H new ATOM 122 N LYS A 30 18.615 9.483 -1.967 1.00 0.00 N ATOM 123 CA LYS A 30 19.907 9.649 -2.648 1.00 0.00 C ATOM 124 C LYS A 30 20.120 11.118 -3.032 1.00 0.00 C ATOM 125 O LYS A 30 19.170 11.813 -3.390 1.00 0.00 O ATOM 126 CB LYS A 30 19.940 8.673 -3.843 1.00 0.00 C ATOM 127 CG LYS A 30 21.320 8.606 -4.517 1.00 0.00 C ATOM 128 CD LYS A 30 21.531 7.377 -5.411 1.00 0.00 C ATOM 129 CE LYS A 30 21.776 6.117 -4.566 1.00 0.00 C ATOM 130 NZ LYS A 30 21.968 4.914 -5.423 1.00 0.00 N ATOM 0 H LYS A 30 17.860 9.309 -2.630 1.00 0.00 H new ATOM 0 HA LYS A 30 20.743 9.401 -1.994 1.00 0.00 H new ATOM 0 HB2 LYS A 30 19.659 7.677 -3.501 1.00 0.00 H new ATOM 0 HB3 LYS A 30 19.196 8.980 -4.578 1.00 0.00 H new ATOM 0 HG2 LYS A 30 21.462 9.505 -5.117 1.00 0.00 H new ATOM 0 HG3 LYS A 30 22.089 8.614 -3.744 1.00 0.00 H new ATOM 0 HD2 LYS A 30 20.657 7.230 -6.045 1.00 0.00 H new ATOM 0 HD3 LYS A 30 22.380 7.546 -6.073 1.00 0.00 H new ATOM 0 HE2 LYS A 30 22.656 6.263 -3.940 1.00 0.00 H new ATOM 0 HE3 LYS A 30 20.931 5.957 -3.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 22.248 4.107 -4.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 21.078 4.692 -5.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 22.712 5.103 -6.124 1.00 0.00 H new ATOM 144 N LEU A 31 21.365 11.590 -3.000 1.00 0.00 N ATOM 145 CA LEU A 31 21.713 13.021 -3.109 1.00 0.00 C ATOM 146 C LEU A 31 21.189 13.748 -4.370 1.00 0.00 C ATOM 147 O LEU A 31 20.445 14.714 -4.210 1.00 0.00 O ATOM 148 CB LEU A 31 23.228 13.185 -2.873 1.00 0.00 C ATOM 149 CG LEU A 31 23.742 14.636 -2.948 1.00 0.00 C ATOM 150 CD1 LEU A 31 23.078 15.555 -1.919 1.00 0.00 C ATOM 151 CD2 LEU A 31 25.250 14.656 -2.699 1.00 0.00 C ATOM 0 H LEU A 31 22.180 10.985 -2.896 1.00 0.00 H new ATOM 0 HA LEU A 31 21.168 13.545 -2.324 1.00 0.00 H new ATOM 0 HB2 LEU A 31 23.475 12.778 -1.893 1.00 0.00 H new ATOM 0 HB3 LEU A 31 23.763 12.587 -3.611 1.00 0.00 H new ATOM 0 HG LEU A 31 23.495 15.006 -3.943 1.00 0.00 H new ATOM 0 HD11 LEU A 31 23.479 16.563 -2.019 1.00 0.00 H new ATOM 0 HD12 LEU A 31 22.002 15.574 -2.089 1.00 0.00 H new ATOM 0 HD13 LEU A 31 23.280 15.182 -0.915 1.00 0.00 H new ATOM 0 HD21 LEU A 31 25.614 15.682 -2.752 1.00 0.00 H new ATOM 0 HD22 LEU A 31 25.461 14.247 -1.711 1.00 0.00 H new ATOM 0 HD23 LEU A 31 25.752 14.054 -3.456 1.00 0.00 H new ATOM 163 N PRO A 32 21.469 13.316 -5.613 1.00 0.00 N ATOM 164 CA PRO A 32 20.941 13.979 -6.814 1.00 0.00 C ATOM 165 C PRO A 32 19.407 13.924 -6.967 1.00 0.00 C ATOM 166 O PRO A 32 18.862 14.648 -7.800 1.00 0.00 O ATOM 167 CB PRO A 32 21.672 13.323 -7.991 1.00 0.00 C ATOM 168 CG PRO A 32 22.077 11.953 -7.447 1.00 0.00 C ATOM 169 CD PRO A 32 22.414 12.279 -5.998 1.00 0.00 C ATOM 0 HA PRO A 32 21.127 15.051 -6.755 1.00 0.00 H new ATOM 0 HB2 PRO A 32 21.025 13.232 -8.864 1.00 0.00 H new ATOM 0 HB3 PRO A 32 22.541 13.905 -8.297 1.00 0.00 H new ATOM 0 HG2 PRO A 32 21.268 11.227 -7.525 1.00 0.00 H new ATOM 0 HG3 PRO A 32 22.931 11.537 -7.982 1.00 0.00 H new ATOM 0 HD2 PRO A 32 22.314 11.399 -5.363 1.00 0.00 H new ATOM 0 HD3 PRO A 32 23.442 12.627 -5.901 1.00 0.00 H new ATOM 177 N LEU A 33 18.694 13.130 -6.153 1.00 0.00 N ATOM 178 CA LEU A 33 17.227 13.126 -6.087 1.00 0.00 C ATOM 179 C LEU A 33 16.744 14.056 -4.961 1.00 0.00 C ATOM 180 O LEU A 33 15.876 14.890 -5.191 1.00 0.00 O ATOM 181 CB LEU A 33 16.761 11.657 -6.021 1.00 0.00 C ATOM 182 CG LEU A 33 15.247 11.359 -6.043 1.00 0.00 C ATOM 183 CD1 LEU A 33 14.687 11.324 -4.626 1.00 0.00 C ATOM 184 CD2 LEU A 33 14.415 12.321 -6.891 1.00 0.00 C ATOM 0 H LEU A 33 19.128 12.464 -5.514 1.00 0.00 H new ATOM 0 HA LEU A 33 16.760 13.547 -6.977 1.00 0.00 H new ATOM 0 HB2 LEU A 33 17.214 11.128 -6.860 1.00 0.00 H new ATOM 0 HB3 LEU A 33 17.171 11.221 -5.110 1.00 0.00 H new ATOM 0 HG LEU A 33 15.162 10.382 -6.519 1.00 0.00 H new ATOM 0 HD11 LEU A 33 13.618 11.113 -4.662 1.00 0.00 H new ATOM 0 HD12 LEU A 33 15.192 10.545 -4.054 1.00 0.00 H new ATOM 0 HD13 LEU A 33 14.850 12.289 -4.146 1.00 0.00 H new ATOM 0 HD21 LEU A 33 13.365 12.032 -6.845 1.00 0.00 H new ATOM 0 HD22 LEU A 33 14.529 13.335 -6.508 1.00 0.00 H new ATOM 0 HD23 LEU A 33 14.757 12.283 -7.925 1.00 0.00 H new ATOM 196 N LEU A 34 17.376 14.022 -3.783 1.00 0.00 N ATOM 197 CA LEU A 34 17.183 15.007 -2.704 1.00 0.00 C ATOM 198 C LEU A 34 17.297 16.439 -3.235 1.00 0.00 C ATOM 199 O LEU A 34 16.457 17.270 -2.906 1.00 0.00 O ATOM 200 CB LEU A 34 18.251 14.746 -1.637 1.00 0.00 C ATOM 201 CG LEU A 34 18.359 15.720 -0.443 1.00 0.00 C ATOM 202 CD1 LEU A 34 19.464 15.105 0.429 1.00 0.00 C ATOM 203 CD2 LEU A 34 18.889 17.127 -0.736 1.00 0.00 C ATOM 0 H LEU A 34 18.051 13.295 -3.544 1.00 0.00 H new ATOM 0 HA LEU A 34 16.184 14.900 -2.281 1.00 0.00 H new ATOM 0 HB2 LEU A 34 18.080 13.748 -1.235 1.00 0.00 H new ATOM 0 HB3 LEU A 34 19.220 14.726 -2.136 1.00 0.00 H new ATOM 0 HG LEU A 34 17.352 15.834 -0.042 1.00 0.00 H new ATOM 0 HD11 LEU A 34 19.620 15.726 1.311 1.00 0.00 H new ATOM 0 HD12 LEU A 34 19.168 14.103 0.739 1.00 0.00 H new ATOM 0 HD13 LEU A 34 20.390 15.049 -0.143 1.00 0.00 H new ATOM 0 HD21 LEU A 34 18.914 17.706 0.187 1.00 0.00 H new ATOM 0 HD22 LEU A 34 19.896 17.058 -1.148 1.00 0.00 H new ATOM 0 HD23 LEU A 34 18.235 17.619 -1.456 1.00 0.00 H new ATOM 215 N LYS A 35 18.296 16.736 -4.077 1.00 0.00 N ATOM 216 CA LYS A 35 18.477 18.079 -4.655 1.00 0.00 C ATOM 217 C LYS A 35 17.285 18.516 -5.512 1.00 0.00 C ATOM 218 O LYS A 35 16.863 19.661 -5.386 1.00 0.00 O ATOM 219 CB LYS A 35 19.809 18.165 -5.424 1.00 0.00 C ATOM 220 CG LYS A 35 21.079 18.079 -4.558 1.00 0.00 C ATOM 221 CD LYS A 35 21.127 19.061 -3.375 1.00 0.00 C ATOM 222 CE LYS A 35 20.968 20.546 -3.724 1.00 0.00 C ATOM 223 NZ LYS A 35 22.144 21.096 -4.460 1.00 0.00 N ATOM 0 H LYS A 35 18.998 16.059 -4.376 1.00 0.00 H new ATOM 0 HA LYS A 35 18.522 18.787 -3.828 1.00 0.00 H new ATOM 0 HB2 LYS A 35 19.837 17.361 -6.160 1.00 0.00 H new ATOM 0 HB3 LYS A 35 19.830 19.104 -5.977 1.00 0.00 H new ATOM 0 HG2 LYS A 35 21.169 17.064 -4.172 1.00 0.00 H new ATOM 0 HG3 LYS A 35 21.947 18.256 -5.193 1.00 0.00 H new ATOM 0 HD2 LYS A 35 20.341 18.788 -2.670 1.00 0.00 H new ATOM 0 HD3 LYS A 35 22.078 18.930 -2.859 1.00 0.00 H new ATOM 0 HE2 LYS A 35 20.072 20.678 -4.330 1.00 0.00 H new ATOM 0 HE3 LYS A 35 20.820 21.116 -2.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 21.983 22.102 -4.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 22.997 20.997 -3.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 22.272 20.573 -5.350 1.00 0.00 H new ATOM 237 N ILE A 36 16.678 17.611 -6.288 1.00 0.00 N ATOM 238 CA ILE A 36 15.396 17.856 -6.971 1.00 0.00 C ATOM 239 C ILE A 36 14.294 18.126 -5.941 1.00 0.00 C ATOM 240 O ILE A 36 13.513 19.055 -6.121 1.00 0.00 O ATOM 241 CB ILE A 36 15.075 16.660 -7.902 1.00 0.00 C ATOM 242 CG1 ILE A 36 15.645 16.839 -9.322 1.00 0.00 C ATOM 243 CG2 ILE A 36 13.572 16.355 -8.048 1.00 0.00 C ATOM 244 CD1 ILE A 36 17.039 17.459 -9.447 1.00 0.00 C ATOM 0 H ILE A 36 17.062 16.682 -6.463 1.00 0.00 H new ATOM 0 HA ILE A 36 15.462 18.747 -7.596 1.00 0.00 H new ATOM 0 HB ILE A 36 15.558 15.823 -7.398 1.00 0.00 H new ATOM 0 HG12 ILE A 36 15.667 15.861 -9.802 1.00 0.00 H new ATOM 0 HG13 ILE A 36 14.949 17.457 -9.889 1.00 0.00 H new ATOM 0 HG21 ILE A 36 13.437 15.504 -8.716 1.00 0.00 H new ATOM 0 HG22 ILE A 36 13.152 16.119 -7.070 1.00 0.00 H new ATOM 0 HG23 ILE A 36 13.063 17.226 -8.461 1.00 0.00 H new ATOM 0 HD11 ILE A 36 17.315 17.526 -10.499 1.00 0.00 H new ATOM 0 HD12 ILE A 36 17.034 18.457 -9.009 1.00 0.00 H new ATOM 0 HD13 ILE A 36 17.763 16.836 -8.921 1.00 0.00 H new ATOM 256 N LEU A 37 14.262 17.377 -4.834 1.00 0.00 N ATOM 257 CA LEU A 37 13.245 17.524 -3.790 1.00 0.00 C ATOM 258 C LEU A 37 13.320 18.873 -3.068 1.00 0.00 C ATOM 259 O LEU A 37 12.319 19.580 -2.966 1.00 0.00 O ATOM 260 CB LEU A 37 13.232 16.294 -2.867 1.00 0.00 C ATOM 261 CG LEU A 37 12.864 15.002 -3.625 1.00 0.00 C ATOM 262 CD1 LEU A 37 12.988 13.790 -2.719 1.00 0.00 C ATOM 263 CD2 LEU A 37 11.434 15.004 -4.147 1.00 0.00 C ATOM 0 H LEU A 37 14.946 16.647 -4.637 1.00 0.00 H new ATOM 0 HA LEU A 37 12.266 17.550 -4.268 1.00 0.00 H new ATOM 0 HB2 LEU A 37 14.213 16.177 -2.407 1.00 0.00 H new ATOM 0 HB3 LEU A 37 12.518 16.455 -2.059 1.00 0.00 H new ATOM 0 HG LEU A 37 13.560 14.956 -4.463 1.00 0.00 H new ATOM 0 HD11 LEU A 37 12.723 12.891 -3.276 1.00 0.00 H new ATOM 0 HD12 LEU A 37 14.014 13.707 -2.361 1.00 0.00 H new ATOM 0 HD13 LEU A 37 12.315 13.901 -1.869 1.00 0.00 H new ATOM 0 HD21 LEU A 37 11.236 14.069 -4.671 1.00 0.00 H new ATOM 0 HD22 LEU A 37 10.742 15.105 -3.311 1.00 0.00 H new ATOM 0 HD23 LEU A 37 11.298 15.840 -4.834 1.00 0.00 H new ATOM 275 N HIS A 38 14.511 19.293 -2.647 1.00 0.00 N ATOM 276 CA HIS A 38 14.720 20.614 -2.036 1.00 0.00 C ATOM 277 C HIS A 38 14.450 21.738 -3.058 1.00 0.00 C ATOM 278 O HIS A 38 13.749 22.698 -2.739 1.00 0.00 O ATOM 279 CB HIS A 38 16.154 20.720 -1.500 1.00 0.00 C ATOM 280 CG HIS A 38 16.424 19.972 -0.212 1.00 0.00 C ATOM 281 ND1 HIS A 38 17.451 20.276 0.685 1.00 0.00 N ATOM 282 CD2 HIS A 38 15.738 18.889 0.262 1.00 0.00 C ATOM 283 CE1 HIS A 38 17.373 19.363 1.667 1.00 0.00 C ATOM 284 NE2 HIS A 38 16.349 18.519 1.442 1.00 0.00 N ATOM 0 H HIS A 38 15.360 18.732 -2.717 1.00 0.00 H new ATOM 0 HA HIS A 38 14.019 20.728 -1.209 1.00 0.00 H new ATOM 0 HB2 HIS A 38 16.838 20.351 -2.265 1.00 0.00 H new ATOM 0 HB3 HIS A 38 16.389 21.773 -1.344 1.00 0.00 H new ATOM 0 HD2 HIS A 38 14.884 18.415 -0.198 1.00 0.00 H new ATOM 0 HE1 HIS A 38 18.038 19.313 2.517 1.00 0.00 H new ATOM 0 HE2 HIS A 38 16.073 17.741 2.040 1.00 0.00 H new ATOM 292 N ALA A 39 14.924 21.605 -4.308 1.00 0.00 N ATOM 293 CA ALA A 39 14.679 22.587 -5.376 1.00 0.00 C ATOM 294 C ALA A 39 13.189 22.709 -5.760 1.00 0.00 C ATOM 295 O ALA A 39 12.732 23.791 -6.135 1.00 0.00 O ATOM 296 CB ALA A 39 15.529 22.217 -6.597 1.00 0.00 C ATOM 0 H ALA A 39 15.490 20.810 -4.607 1.00 0.00 H new ATOM 0 HA ALA A 39 14.968 23.568 -4.998 1.00 0.00 H new ATOM 0 HB1 ALA A 39 15.354 22.939 -7.394 1.00 0.00 H new ATOM 0 HB2 ALA A 39 16.584 22.227 -6.323 1.00 0.00 H new ATOM 0 HB3 ALA A 39 15.254 21.221 -6.943 1.00 0.00 H new ATOM 302 N ALA A 40 12.413 21.630 -5.600 1.00 0.00 N ATOM 303 CA ALA A 40 10.950 21.630 -5.731 1.00 0.00 C ATOM 304 C ALA A 40 10.212 22.406 -4.615 1.00 0.00 C ATOM 305 O ALA A 40 8.993 22.580 -4.694 1.00 0.00 O ATOM 306 CB ALA A 40 10.462 20.179 -5.765 1.00 0.00 C ATOM 0 H ALA A 40 12.793 20.712 -5.371 1.00 0.00 H new ATOM 0 HA ALA A 40 10.715 22.154 -6.657 1.00 0.00 H new ATOM 0 HB1 ALA A 40 9.376 20.162 -5.862 1.00 0.00 H new ATOM 0 HB2 ALA A 40 10.910 19.664 -6.615 1.00 0.00 H new ATOM 0 HB3 ALA A 40 10.751 19.676 -4.842 1.00 0.00 H new ATOM 312 N GLY A 41 10.929 22.854 -3.577 1.00 0.00 N ATOM 313 CA GLY A 41 10.401 23.599 -2.431 1.00 0.00 C ATOM 314 C GLY A 41 10.562 22.890 -1.079 1.00 0.00 C ATOM 315 O GLY A 41 10.163 23.457 -0.059 1.00 0.00 O ATOM 0 H GLY A 41 11.935 22.700 -3.512 1.00 0.00 H new ATOM 0 HA2 GLY A 41 10.902 24.566 -2.381 1.00 0.00 H new ATOM 0 HA3 GLY A 41 9.342 23.796 -2.599 1.00 0.00 H new ATOM 319 N ALA A 42 11.134 21.677 -1.041 1.00 0.00 N ATOM 320 CA ALA A 42 11.390 20.962 0.208 1.00 0.00 C ATOM 321 C ALA A 42 12.638 21.480 0.963 1.00 0.00 C ATOM 322 O ALA A 42 13.309 22.444 0.586 1.00 0.00 O ATOM 323 CB ALA A 42 11.449 19.446 -0.059 1.00 0.00 C ATOM 0 H ALA A 42 11.429 21.170 -1.875 1.00 0.00 H new ATOM 0 HA ALA A 42 10.556 21.162 0.881 1.00 0.00 H new ATOM 0 HB1 ALA A 42 11.640 18.919 0.876 1.00 0.00 H new ATOM 0 HB2 ALA A 42 10.499 19.113 -0.476 1.00 0.00 H new ATOM 0 HB3 ALA A 42 12.250 19.232 -0.766 1.00 0.00 H new ATOM 329 N GLN A 43 12.916 20.785 2.058 1.00 0.00 N ATOM 330 CA GLN A 43 13.996 20.953 3.038 1.00 0.00 C ATOM 331 C GLN A 43 13.888 19.804 4.062 1.00 0.00 C ATOM 332 O GLN A 43 12.778 19.411 4.432 1.00 0.00 O ATOM 333 CB GLN A 43 13.881 22.312 3.768 1.00 0.00 C ATOM 334 CG GLN A 43 15.122 23.185 3.517 1.00 0.00 C ATOM 335 CD GLN A 43 15.060 24.558 4.194 1.00 0.00 C ATOM 336 OE1 GLN A 43 14.122 24.923 4.895 1.00 0.00 O ATOM 337 NE2 GLN A 43 16.071 25.385 4.015 1.00 0.00 N ATOM 0 H GLN A 43 12.323 19.996 2.316 1.00 0.00 H new ATOM 0 HA GLN A 43 14.958 20.932 2.526 1.00 0.00 H new ATOM 0 HB2 GLN A 43 12.989 22.837 3.426 1.00 0.00 H new ATOM 0 HB3 GLN A 43 13.762 22.144 4.838 1.00 0.00 H new ATOM 0 HG2 GLN A 43 16.006 22.655 3.872 1.00 0.00 H new ATOM 0 HG3 GLN A 43 15.245 23.325 2.443 1.00 0.00 H new ATOM 0 HE21 GLN A 43 16.863 25.105 3.436 1.00 0.00 H new ATOM 0 HE22 GLN A 43 16.061 26.305 4.455 1.00 0.00 H new ATOM 346 N GLY A 44 15.022 19.267 4.525 1.00 0.00 N ATOM 347 CA GLY A 44 15.071 18.073 5.380 1.00 0.00 C ATOM 348 C GLY A 44 14.806 16.790 4.584 1.00 0.00 C ATOM 349 O GLY A 44 13.675 16.483 4.222 1.00 0.00 O ATOM 0 H GLY A 44 15.943 19.653 4.315 1.00 0.00 H new ATOM 0 HA2 GLY A 44 16.048 18.008 5.858 1.00 0.00 H new ATOM 0 HA3 GLY A 44 14.332 18.166 6.176 1.00 0.00 H new ATOM 353 N GLU A 45 15.870 16.038 4.293 1.00 0.00 N ATOM 354 CA GLU A 45 15.927 14.845 3.430 1.00 0.00 C ATOM 355 C GLU A 45 15.291 13.574 4.023 1.00 0.00 C ATOM 356 O GLU A 45 15.887 12.499 4.030 1.00 0.00 O ATOM 357 CB GLU A 45 17.384 14.654 2.984 1.00 0.00 C ATOM 358 CG GLU A 45 18.361 14.516 4.169 1.00 0.00 C ATOM 359 CD GLU A 45 19.740 13.981 3.749 1.00 0.00 C ATOM 360 OE1 GLU A 45 19.854 12.747 3.547 1.00 0.00 O ATOM 361 OE2 GLU A 45 20.719 14.764 3.695 1.00 0.00 O ATOM 0 H GLU A 45 16.786 16.260 4.682 1.00 0.00 H new ATOM 0 HA GLU A 45 15.293 15.024 2.562 1.00 0.00 H new ATOM 0 HB2 GLU A 45 17.453 13.765 2.357 1.00 0.00 H new ATOM 0 HB3 GLU A 45 17.685 15.502 2.369 1.00 0.00 H new ATOM 0 HG2 GLU A 45 18.484 15.488 4.647 1.00 0.00 H new ATOM 0 HG3 GLU A 45 17.929 13.847 4.914 1.00 0.00 H new ATOM 368 N MET A 46 14.072 13.704 4.543 1.00 0.00 N ATOM 369 CA MET A 46 13.356 12.660 5.290 1.00 0.00 C ATOM 370 C MET A 46 11.865 12.572 4.867 1.00 0.00 C ATOM 371 O MET A 46 10.972 12.291 5.668 1.00 0.00 O ATOM 372 CB MET A 46 13.534 12.939 6.797 1.00 0.00 C ATOM 373 CG MET A 46 14.948 12.642 7.317 1.00 0.00 C ATOM 374 SD MET A 46 15.581 10.955 7.052 1.00 0.00 S ATOM 375 CE MET A 46 14.198 9.973 7.694 1.00 0.00 C ATOM 0 H MET A 46 13.534 14.566 4.456 1.00 0.00 H new ATOM 0 HA MET A 46 13.776 11.681 5.060 1.00 0.00 H new ATOM 0 HB2 MET A 46 13.296 13.984 6.995 1.00 0.00 H new ATOM 0 HB3 MET A 46 12.817 12.338 7.356 1.00 0.00 H new ATOM 0 HG2 MET A 46 15.638 13.342 6.845 1.00 0.00 H new ATOM 0 HG3 MET A 46 14.967 12.848 8.387 1.00 0.00 H new ATOM 0 HE1 MET A 46 14.479 8.920 7.718 1.00 0.00 H new ATOM 0 HE2 MET A 46 13.953 10.306 8.702 1.00 0.00 H new ATOM 0 HE3 MET A 46 13.330 10.102 7.048 1.00 0.00 H new ATOM 385 N PHE A 47 11.598 12.829 3.583 1.00 0.00 N ATOM 386 CA PHE A 47 10.276 12.820 2.925 1.00 0.00 C ATOM 387 C PHE A 47 9.911 11.439 2.336 1.00 0.00 C ATOM 388 O PHE A 47 10.683 10.871 1.569 1.00 0.00 O ATOM 389 CB PHE A 47 10.218 13.930 1.847 1.00 0.00 C ATOM 390 CG PHE A 47 11.547 14.496 1.358 1.00 0.00 C ATOM 391 CD1 PHE A 47 12.516 13.659 0.771 1.00 0.00 C ATOM 392 CD2 PHE A 47 11.824 15.868 1.511 1.00 0.00 C ATOM 393 CE1 PHE A 47 13.748 14.190 0.349 1.00 0.00 C ATOM 394 CE2 PHE A 47 13.047 16.400 1.069 1.00 0.00 C ATOM 395 CZ PHE A 47 14.005 15.565 0.472 1.00 0.00 C ATOM 0 H PHE A 47 12.344 13.065 2.928 1.00 0.00 H new ATOM 0 HA PHE A 47 9.525 13.026 3.688 1.00 0.00 H new ATOM 0 HB2 PHE A 47 9.681 13.536 0.984 1.00 0.00 H new ATOM 0 HB3 PHE A 47 9.625 14.754 2.242 1.00 0.00 H new ATOM 0 HD1 PHE A 47 12.312 12.606 0.645 1.00 0.00 H new ATOM 0 HD2 PHE A 47 11.092 16.515 1.971 1.00 0.00 H new ATOM 0 HE1 PHE A 47 14.499 13.538 -0.071 1.00 0.00 H new ATOM 0 HE2 PHE A 47 13.251 17.454 1.189 1.00 0.00 H new ATOM 0 HZ PHE A 47 14.935 15.978 0.109 1.00 0.00 H new ATOM 405 N THR A 48 8.731 10.899 2.666 1.00 0.00 N ATOM 406 CA THR A 48 8.239 9.561 2.236 1.00 0.00 C ATOM 407 C THR A 48 7.755 9.555 0.778 1.00 0.00 C ATOM 408 O THR A 48 7.635 10.614 0.173 1.00 0.00 O ATOM 409 CB THR A 48 7.127 9.064 3.191 1.00 0.00 C ATOM 410 OG1 THR A 48 6.315 10.146 3.601 1.00 0.00 O ATOM 411 CG2 THR A 48 7.729 8.409 4.438 1.00 0.00 C ATOM 0 H THR A 48 8.061 11.389 3.259 1.00 0.00 H new ATOM 0 HA THR A 48 9.083 8.873 2.288 1.00 0.00 H new ATOM 0 HB THR A 48 6.530 8.331 2.649 1.00 0.00 H new ATOM 0 HG1 THR A 48 5.614 9.819 4.203 1.00 0.00 H new ATOM 0 HG21 THR A 48 6.927 8.068 5.093 1.00 0.00 H new ATOM 0 HG22 THR A 48 8.342 7.558 4.142 1.00 0.00 H new ATOM 0 HG23 THR A 48 8.347 9.134 4.968 1.00 0.00 H new ATOM 419 N VAL A 49 7.445 8.393 0.173 1.00 0.00 N ATOM 420 CA VAL A 49 7.109 8.304 -1.279 1.00 0.00 C ATOM 421 C VAL A 49 5.947 9.220 -1.690 1.00 0.00 C ATOM 422 O VAL A 49 5.984 9.835 -2.753 1.00 0.00 O ATOM 423 CB VAL A 49 6.863 6.844 -1.717 1.00 0.00 C ATOM 424 CG1 VAL A 49 5.637 6.186 -1.071 1.00 0.00 C ATOM 425 CG2 VAL A 49 6.764 6.697 -3.239 1.00 0.00 C ATOM 0 H VAL A 49 7.418 7.497 0.659 1.00 0.00 H new ATOM 0 HA VAL A 49 7.985 8.671 -1.813 1.00 0.00 H new ATOM 0 HB VAL A 49 7.746 6.317 -1.355 1.00 0.00 H new ATOM 0 HG11 VAL A 49 5.539 5.163 -1.434 1.00 0.00 H new ATOM 0 HG12 VAL A 49 5.758 6.176 0.012 1.00 0.00 H new ATOM 0 HG13 VAL A 49 4.742 6.751 -1.331 1.00 0.00 H new ATOM 0 HG21 VAL A 49 6.591 5.651 -3.493 1.00 0.00 H new ATOM 0 HG22 VAL A 49 5.937 7.302 -3.610 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.694 7.033 -3.698 1.00 0.00 H new ATOM 435 N LYS A 50 4.968 9.385 -0.796 1.00 0.00 N ATOM 436 CA LYS A 50 3.824 10.301 -0.939 1.00 0.00 C ATOM 437 C LYS A 50 4.266 11.764 -1.092 1.00 0.00 C ATOM 438 O LYS A 50 3.740 12.493 -1.931 1.00 0.00 O ATOM 439 CB LYS A 50 2.925 10.135 0.298 1.00 0.00 C ATOM 440 CG LYS A 50 2.310 8.725 0.406 1.00 0.00 C ATOM 441 CD LYS A 50 1.527 8.505 1.710 1.00 0.00 C ATOM 442 CE LYS A 50 2.435 8.534 2.954 1.00 0.00 C ATOM 443 NZ LYS A 50 1.673 8.185 4.187 1.00 0.00 N ATOM 0 H LYS A 50 4.946 8.866 0.082 1.00 0.00 H new ATOM 0 HA LYS A 50 3.279 10.049 -1.849 1.00 0.00 H new ATOM 0 HB2 LYS A 50 3.508 10.342 1.195 1.00 0.00 H new ATOM 0 HB3 LYS A 50 2.124 10.874 0.261 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.645 8.560 -0.442 1.00 0.00 H new ATOM 0 HG3 LYS A 50 3.105 7.982 0.337 1.00 0.00 H new ATOM 0 HD2 LYS A 50 0.761 9.275 1.805 1.00 0.00 H new ATOM 0 HD3 LYS A 50 1.011 7.546 1.663 1.00 0.00 H new ATOM 0 HE2 LYS A 50 3.259 7.833 2.822 1.00 0.00 H new ATOM 0 HE3 LYS A 50 2.874 9.525 3.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 2.310 8.213 5.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 0.902 8.869 4.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 1.275 7.229 4.090 1.00 0.00 H new ATOM 457 N GLU A 51 5.280 12.168 -0.326 1.00 0.00 N ATOM 458 CA GLU A 51 5.910 13.493 -0.393 1.00 0.00 C ATOM 459 C GLU A 51 6.832 13.612 -1.618 1.00 0.00 C ATOM 460 O GLU A 51 6.724 14.570 -2.378 1.00 0.00 O ATOM 461 CB GLU A 51 6.695 13.756 0.906 1.00 0.00 C ATOM 462 CG GLU A 51 5.836 13.790 2.178 1.00 0.00 C ATOM 463 CD GLU A 51 4.823 14.952 2.164 1.00 0.00 C ATOM 464 OE1 GLU A 51 5.201 16.094 2.521 1.00 0.00 O ATOM 465 OE2 GLU A 51 3.639 14.731 1.811 1.00 0.00 O ATOM 0 H GLU A 51 5.701 11.565 0.381 1.00 0.00 H new ATOM 0 HA GLU A 51 5.128 14.245 -0.499 1.00 0.00 H new ATOM 0 HB2 GLU A 51 7.455 12.983 1.018 1.00 0.00 H new ATOM 0 HB3 GLU A 51 7.219 14.707 0.812 1.00 0.00 H new ATOM 0 HG2 GLU A 51 5.302 12.845 2.279 1.00 0.00 H new ATOM 0 HG3 GLU A 51 6.484 13.885 3.050 1.00 0.00 H new ATOM 472 N VAL A 52 7.692 12.614 -1.855 1.00 0.00 N ATOM 473 CA VAL A 52 8.625 12.542 -2.999 1.00 0.00 C ATOM 474 C VAL A 52 7.891 12.723 -4.329 1.00 0.00 C ATOM 475 O VAL A 52 8.280 13.567 -5.133 1.00 0.00 O ATOM 476 CB VAL A 52 9.394 11.202 -2.987 1.00 0.00 C ATOM 477 CG1 VAL A 52 10.231 10.947 -4.247 1.00 0.00 C ATOM 478 CG2 VAL A 52 10.343 11.115 -1.787 1.00 0.00 C ATOM 0 H VAL A 52 7.764 11.805 -1.238 1.00 0.00 H new ATOM 0 HA VAL A 52 9.340 13.358 -2.897 1.00 0.00 H new ATOM 0 HB VAL A 52 8.611 10.446 -2.933 1.00 0.00 H new ATOM 0 HG11 VAL A 52 10.739 9.986 -4.158 1.00 0.00 H new ATOM 0 HG12 VAL A 52 9.579 10.934 -5.120 1.00 0.00 H new ATOM 0 HG13 VAL A 52 10.971 11.739 -4.359 1.00 0.00 H new ATOM 0 HG21 VAL A 52 10.869 10.161 -1.808 1.00 0.00 H new ATOM 0 HG22 VAL A 52 11.066 11.929 -1.835 1.00 0.00 H new ATOM 0 HG23 VAL A 52 9.770 11.194 -0.863 1.00 0.00 H new ATOM 488 N MET A 53 6.804 11.979 -4.556 1.00 0.00 N ATOM 489 CA MET A 53 6.029 12.075 -5.797 1.00 0.00 C ATOM 490 C MET A 53 5.305 13.415 -5.926 1.00 0.00 C ATOM 491 O MET A 53 5.306 13.999 -7.007 1.00 0.00 O ATOM 492 CB MET A 53 5.034 10.911 -5.895 1.00 0.00 C ATOM 493 CG MET A 53 5.748 9.573 -6.106 1.00 0.00 C ATOM 494 SD MET A 53 6.855 9.477 -7.546 1.00 0.00 S ATOM 495 CE MET A 53 5.687 9.695 -8.914 1.00 0.00 C ATOM 0 H MET A 53 6.439 11.298 -3.890 1.00 0.00 H new ATOM 0 HA MET A 53 6.734 12.013 -6.626 1.00 0.00 H new ATOM 0 HB2 MET A 53 4.436 10.865 -4.985 1.00 0.00 H new ATOM 0 HB3 MET A 53 4.345 11.090 -6.720 1.00 0.00 H new ATOM 0 HG2 MET A 53 6.328 9.349 -5.211 1.00 0.00 H new ATOM 0 HG3 MET A 53 4.993 8.792 -6.200 1.00 0.00 H new ATOM 0 HE1 MET A 53 6.236 9.907 -9.831 1.00 0.00 H new ATOM 0 HE2 MET A 53 5.103 8.784 -9.043 1.00 0.00 H new ATOM 0 HE3 MET A 53 5.018 10.526 -8.692 1.00 0.00 H new ATOM 505 N HIS A 54 4.760 13.952 -4.830 1.00 0.00 N ATOM 506 CA HIS A 54 4.179 15.303 -4.820 1.00 0.00 C ATOM 507 C HIS A 54 5.207 16.359 -5.250 1.00 0.00 C ATOM 508 O HIS A 54 4.969 17.097 -6.206 1.00 0.00 O ATOM 509 CB HIS A 54 3.596 15.623 -3.437 1.00 0.00 C ATOM 510 CG HIS A 54 2.972 16.996 -3.365 1.00 0.00 C ATOM 511 ND1 HIS A 54 1.818 17.399 -4.046 1.00 0.00 N ATOM 512 CD2 HIS A 54 3.456 18.052 -2.650 1.00 0.00 C ATOM 513 CE1 HIS A 54 1.631 18.690 -3.718 1.00 0.00 C ATOM 514 NE2 HIS A 54 2.597 19.106 -2.880 1.00 0.00 N ATOM 0 H HIS A 54 4.708 13.470 -3.932 1.00 0.00 H new ATOM 0 HA HIS A 54 3.368 15.329 -5.548 1.00 0.00 H new ATOM 0 HB2 HIS A 54 2.845 14.875 -3.183 1.00 0.00 H new ATOM 0 HB3 HIS A 54 4.386 15.549 -2.689 1.00 0.00 H new ATOM 0 HD2 HIS A 54 4.338 18.061 -2.027 1.00 0.00 H new ATOM 0 HE1 HIS A 54 0.820 19.306 -4.077 1.00 0.00 H new ATOM 0 HE2 HIS A 54 2.680 20.042 -2.482 1.00 0.00 H new ATOM 522 N TYR A 55 6.389 16.378 -4.626 1.00 0.00 N ATOM 523 CA TYR A 55 7.484 17.275 -5.012 1.00 0.00 C ATOM 524 C TYR A 55 7.958 17.056 -6.457 1.00 0.00 C ATOM 525 O TYR A 55 8.232 18.038 -7.142 1.00 0.00 O ATOM 526 CB TYR A 55 8.652 17.141 -4.023 1.00 0.00 C ATOM 527 CG TYR A 55 8.436 17.825 -2.683 1.00 0.00 C ATOM 528 CD1 TYR A 55 8.270 19.224 -2.620 1.00 0.00 C ATOM 529 CD2 TYR A 55 8.418 17.068 -1.495 1.00 0.00 C ATOM 530 CE1 TYR A 55 8.032 19.854 -1.382 1.00 0.00 C ATOM 531 CE2 TYR A 55 8.178 17.691 -0.255 1.00 0.00 C ATOM 532 CZ TYR A 55 7.976 19.089 -0.197 1.00 0.00 C ATOM 533 OH TYR A 55 7.753 19.709 0.996 1.00 0.00 O ATOM 0 H TYR A 55 6.614 15.771 -3.838 1.00 0.00 H new ATOM 0 HA TYR A 55 7.094 18.292 -4.971 1.00 0.00 H new ATOM 0 HB2 TYR A 55 8.841 16.082 -3.848 1.00 0.00 H new ATOM 0 HB3 TYR A 55 9.549 17.553 -4.485 1.00 0.00 H new ATOM 0 HD1 TYR A 55 8.325 19.814 -3.523 1.00 0.00 H new ATOM 0 HD2 TYR A 55 8.589 16.002 -1.535 1.00 0.00 H new ATOM 0 HE1 TYR A 55 7.892 20.924 -1.340 1.00 0.00 H new ATOM 0 HE2 TYR A 55 8.148 17.102 0.650 1.00 0.00 H new ATOM 0 HH TYR A 55 7.742 19.042 1.714 1.00 0.00 H new ATOM 543 N LEU A 56 7.984 15.818 -6.964 1.00 0.00 N ATOM 544 CA LEU A 56 8.317 15.524 -8.364 1.00 0.00 C ATOM 545 C LEU A 56 7.283 16.121 -9.333 1.00 0.00 C ATOM 546 O LEU A 56 7.667 16.748 -10.319 1.00 0.00 O ATOM 547 CB LEU A 56 8.459 13.999 -8.560 1.00 0.00 C ATOM 548 CG LEU A 56 9.792 13.419 -8.051 1.00 0.00 C ATOM 549 CD1 LEU A 56 9.721 11.893 -7.994 1.00 0.00 C ATOM 550 CD2 LEU A 56 10.945 13.779 -8.985 1.00 0.00 C ATOM 0 H LEU A 56 7.773 14.987 -6.412 1.00 0.00 H new ATOM 0 HA LEU A 56 9.272 15.996 -8.596 1.00 0.00 H new ATOM 0 HB2 LEU A 56 7.638 13.500 -8.045 1.00 0.00 H new ATOM 0 HB3 LEU A 56 8.357 13.769 -9.621 1.00 0.00 H new ATOM 0 HG LEU A 56 9.964 13.841 -7.061 1.00 0.00 H new ATOM 0 HD11 LEU A 56 10.670 11.498 -7.632 1.00 0.00 H new ATOM 0 HD12 LEU A 56 8.921 11.591 -7.318 1.00 0.00 H new ATOM 0 HD13 LEU A 56 9.521 11.501 -8.991 1.00 0.00 H new ATOM 0 HD21 LEU A 56 11.872 13.355 -8.599 1.00 0.00 H new ATOM 0 HD22 LEU A 56 10.748 13.376 -9.978 1.00 0.00 H new ATOM 0 HD23 LEU A 56 11.039 14.863 -9.046 1.00 0.00 H new ATOM 562 N GLY A 57 5.986 16.005 -9.031 1.00 0.00 N ATOM 563 CA GLY A 57 4.919 16.623 -9.825 1.00 0.00 C ATOM 564 C GLY A 57 5.023 18.153 -9.850 1.00 0.00 C ATOM 565 O GLY A 57 5.035 18.761 -10.925 1.00 0.00 O ATOM 0 H GLY A 57 5.645 15.478 -8.227 1.00 0.00 H new ATOM 0 HA2 GLY A 57 4.961 16.242 -10.845 1.00 0.00 H new ATOM 0 HA3 GLY A 57 3.951 16.334 -9.416 1.00 0.00 H new ATOM 569 N GLN A 58 5.217 18.776 -8.678 1.00 0.00 N ATOM 570 CA GLN A 58 5.431 20.230 -8.583 1.00 0.00 C ATOM 571 C GLN A 58 6.657 20.662 -9.380 1.00 0.00 C ATOM 572 O GLN A 58 6.577 21.601 -10.159 1.00 0.00 O ATOM 573 CB GLN A 58 5.622 20.697 -7.133 1.00 0.00 C ATOM 574 CG GLN A 58 4.376 20.466 -6.281 1.00 0.00 C ATOM 575 CD GLN A 58 4.498 21.109 -4.901 1.00 0.00 C ATOM 576 OE1 GLN A 58 3.737 21.990 -4.522 1.00 0.00 O ATOM 577 NE2 GLN A 58 5.460 20.704 -4.098 1.00 0.00 N ATOM 0 H GLN A 58 5.230 18.294 -7.779 1.00 0.00 H new ATOM 0 HA GLN A 58 4.532 20.689 -8.993 1.00 0.00 H new ATOM 0 HB2 GLN A 58 6.465 20.166 -6.691 1.00 0.00 H new ATOM 0 HB3 GLN A 58 5.873 21.758 -7.125 1.00 0.00 H new ATOM 0 HG2 GLN A 58 3.505 20.873 -6.795 1.00 0.00 H new ATOM 0 HG3 GLN A 58 4.208 19.395 -6.168 1.00 0.00 H new ATOM 0 HE21 GLN A 58 6.102 19.971 -4.400 1.00 0.00 H new ATOM 0 HE22 GLN A 58 5.563 21.123 -3.174 1.00 0.00 H new ATOM 586 N TYR A 59 7.773 19.953 -9.224 1.00 0.00 N ATOM 587 CA TYR A 59 9.021 20.221 -9.950 1.00 0.00 C ATOM 588 C TYR A 59 8.833 20.169 -11.472 1.00 0.00 C ATOM 589 O TYR A 59 9.246 21.094 -12.169 1.00 0.00 O ATOM 590 CB TYR A 59 10.085 19.228 -9.479 1.00 0.00 C ATOM 591 CG TYR A 59 11.464 19.404 -10.091 1.00 0.00 C ATOM 592 CD1 TYR A 59 11.741 18.846 -11.354 1.00 0.00 C ATOM 593 CD2 TYR A 59 12.475 20.102 -9.398 1.00 0.00 C ATOM 594 CE1 TYR A 59 13.012 19.004 -11.933 1.00 0.00 C ATOM 595 CE2 TYR A 59 13.754 20.255 -9.974 1.00 0.00 C ATOM 596 CZ TYR A 59 14.022 19.715 -11.252 1.00 0.00 C ATOM 597 OH TYR A 59 15.241 19.882 -11.832 1.00 0.00 O ATOM 0 H TYR A 59 7.841 19.164 -8.581 1.00 0.00 H new ATOM 0 HA TYR A 59 9.346 21.237 -9.727 1.00 0.00 H new ATOM 0 HB2 TYR A 59 10.175 19.307 -8.396 1.00 0.00 H new ATOM 0 HB3 TYR A 59 9.736 18.219 -9.697 1.00 0.00 H new ATOM 0 HD1 TYR A 59 10.975 18.295 -11.879 1.00 0.00 H new ATOM 0 HD2 TYR A 59 12.270 20.521 -8.424 1.00 0.00 H new ATOM 0 HE1 TYR A 59 13.216 18.579 -12.904 1.00 0.00 H new ATOM 0 HE2 TYR A 59 14.528 20.785 -9.438 1.00 0.00 H new ATOM 0 HH TYR A 59 15.197 19.605 -12.771 1.00 0.00 H new ATOM 607 N ILE A 60 8.146 19.147 -11.992 1.00 0.00 N ATOM 608 CA ILE A 60 7.838 19.018 -13.426 1.00 0.00 C ATOM 609 C ILE A 60 6.983 20.210 -13.898 1.00 0.00 C ATOM 610 O ILE A 60 7.332 20.856 -14.892 1.00 0.00 O ATOM 611 CB ILE A 60 7.225 17.618 -13.697 1.00 0.00 C ATOM 612 CG1 ILE A 60 8.306 16.526 -13.490 1.00 0.00 C ATOM 613 CG2 ILE A 60 6.646 17.458 -15.115 1.00 0.00 C ATOM 614 CD1 ILE A 60 7.740 15.106 -13.365 1.00 0.00 C ATOM 0 H ILE A 60 7.784 18.378 -11.428 1.00 0.00 H new ATOM 0 HA ILE A 60 8.744 19.068 -14.029 1.00 0.00 H new ATOM 0 HB ILE A 60 6.401 17.510 -12.992 1.00 0.00 H new ATOM 0 HG12 ILE A 60 9.003 16.556 -14.327 1.00 0.00 H new ATOM 0 HG13 ILE A 60 8.877 16.759 -12.591 1.00 0.00 H new ATOM 0 HG21 ILE A 60 6.236 16.455 -15.229 1.00 0.00 H new ATOM 0 HG22 ILE A 60 5.856 18.193 -15.270 1.00 0.00 H new ATOM 0 HG23 ILE A 60 7.436 17.613 -15.850 1.00 0.00 H new ATOM 0 HD11 ILE A 60 8.558 14.400 -13.222 1.00 0.00 H new ATOM 0 HD12 ILE A 60 7.065 15.057 -12.510 1.00 0.00 H new ATOM 0 HD13 ILE A 60 7.194 14.851 -14.273 1.00 0.00 H new ATOM 626 N MET A 61 5.942 20.588 -13.148 1.00 0.00 N ATOM 627 CA MET A 61 5.128 21.781 -13.442 1.00 0.00 C ATOM 628 C MET A 61 5.903 23.109 -13.317 1.00 0.00 C ATOM 629 O MET A 61 5.675 24.016 -14.118 1.00 0.00 O ATOM 630 CB MET A 61 3.881 21.808 -12.537 1.00 0.00 C ATOM 631 CG MET A 61 2.669 21.063 -13.116 1.00 0.00 C ATOM 632 SD MET A 61 2.833 19.274 -13.377 1.00 0.00 S ATOM 633 CE MET A 61 3.344 19.220 -15.114 1.00 0.00 C ATOM 0 H MET A 61 5.637 20.078 -12.319 1.00 0.00 H new ATOM 0 HA MET A 61 4.832 21.698 -14.488 1.00 0.00 H new ATOM 0 HB2 MET A 61 4.136 21.370 -11.572 1.00 0.00 H new ATOM 0 HB3 MET A 61 3.602 22.845 -12.352 1.00 0.00 H new ATOM 0 HG2 MET A 61 1.822 21.230 -12.451 1.00 0.00 H new ATOM 0 HG3 MET A 61 2.418 21.521 -14.073 1.00 0.00 H new ATOM 0 HE1 MET A 61 3.381 18.184 -15.450 1.00 0.00 H new ATOM 0 HE2 MET A 61 2.628 19.773 -15.721 1.00 0.00 H new ATOM 0 HE3 MET A 61 4.331 19.670 -15.217 1.00 0.00 H new ATOM 643 N VAL A 62 6.832 23.241 -12.362 1.00 0.00 N ATOM 644 CA VAL A 62 7.587 24.471 -12.087 1.00 0.00 C ATOM 645 C VAL A 62 8.688 24.698 -13.120 1.00 0.00 C ATOM 646 O VAL A 62 8.844 25.810 -13.628 1.00 0.00 O ATOM 647 CB VAL A 62 8.132 24.392 -10.645 1.00 0.00 C ATOM 648 CG1 VAL A 62 9.338 25.280 -10.366 1.00 0.00 C ATOM 649 CG2 VAL A 62 7.026 24.762 -9.650 1.00 0.00 C ATOM 0 H VAL A 62 7.087 22.473 -11.741 1.00 0.00 H new ATOM 0 HA VAL A 62 6.931 25.337 -12.169 1.00 0.00 H new ATOM 0 HB VAL A 62 8.465 23.361 -10.525 1.00 0.00 H new ATOM 0 HG11 VAL A 62 9.649 25.156 -9.329 1.00 0.00 H new ATOM 0 HG12 VAL A 62 10.158 24.998 -11.026 1.00 0.00 H new ATOM 0 HG13 VAL A 62 9.071 26.322 -10.543 1.00 0.00 H new ATOM 0 HG21 VAL A 62 7.416 24.704 -8.634 1.00 0.00 H new ATOM 0 HG22 VAL A 62 6.682 25.777 -9.849 1.00 0.00 H new ATOM 0 HG23 VAL A 62 6.192 24.068 -9.758 1.00 0.00 H new ATOM 659 N LYS A 63 9.419 23.636 -13.472 1.00 0.00 N ATOM 660 CA LYS A 63 10.444 23.657 -14.524 1.00 0.00 C ATOM 661 C LYS A 63 9.840 23.545 -15.938 1.00 0.00 C ATOM 662 O LYS A 63 10.525 23.882 -16.902 1.00 0.00 O ATOM 663 CB LYS A 63 11.474 22.545 -14.246 1.00 0.00 C ATOM 664 CG LYS A 63 12.212 22.611 -12.897 1.00 0.00 C ATOM 665 CD LYS A 63 13.079 23.860 -12.678 1.00 0.00 C ATOM 666 CE LYS A 63 14.187 24.077 -13.724 1.00 0.00 C ATOM 667 NZ LYS A 63 15.210 22.991 -13.730 1.00 0.00 N ATOM 0 H LYS A 63 9.315 22.723 -13.029 1.00 0.00 H new ATOM 0 HA LYS A 63 10.947 24.623 -14.499 1.00 0.00 H new ATOM 0 HB2 LYS A 63 10.963 21.584 -14.308 1.00 0.00 H new ATOM 0 HB3 LYS A 63 12.218 22.563 -15.043 1.00 0.00 H new ATOM 0 HG2 LYS A 63 11.475 22.557 -12.096 1.00 0.00 H new ATOM 0 HG3 LYS A 63 12.846 21.729 -12.806 1.00 0.00 H new ATOM 0 HD2 LYS A 63 12.431 24.736 -12.671 1.00 0.00 H new ATOM 0 HD3 LYS A 63 13.539 23.796 -11.692 1.00 0.00 H new ATOM 0 HE2 LYS A 63 13.735 24.147 -14.713 1.00 0.00 H new ATOM 0 HE3 LYS A 63 14.679 25.030 -13.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 16.149 23.400 -13.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 15.213 22.511 -12.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 14.982 22.304 -14.477 1.00 0.00 H new ATOM 681 N GLN A 64 8.568 23.126 -16.067 1.00 0.00 N ATOM 682 CA GLN A 64 7.823 22.996 -17.335 1.00 0.00 C ATOM 683 C GLN A 64 8.344 21.852 -18.224 1.00 0.00 C ATOM 684 O GLN A 64 8.612 22.005 -19.417 1.00 0.00 O ATOM 685 CB GLN A 64 7.634 24.347 -18.054 1.00 0.00 C ATOM 686 CG GLN A 64 7.061 25.414 -17.108 1.00 0.00 C ATOM 687 CD GLN A 64 6.739 26.747 -17.789 1.00 0.00 C ATOM 688 OE1 GLN A 64 6.953 26.966 -18.976 1.00 0.00 O ATOM 689 NE2 GLN A 64 6.207 27.705 -17.056 1.00 0.00 N ATOM 0 H GLN A 64 8.007 22.858 -15.258 1.00 0.00 H new ATOM 0 HA GLN A 64 6.811 22.685 -17.075 1.00 0.00 H new ATOM 0 HB2 GLN A 64 8.591 24.687 -18.450 1.00 0.00 H new ATOM 0 HB3 GLN A 64 6.965 24.217 -18.905 1.00 0.00 H new ATOM 0 HG2 GLN A 64 6.153 25.025 -16.647 1.00 0.00 H new ATOM 0 HG3 GLN A 64 7.775 25.592 -16.304 1.00 0.00 H new ATOM 0 HE21 GLN A 64 6.020 27.546 -16.066 1.00 0.00 H new ATOM 0 HE22 GLN A 64 5.982 28.606 -17.479 1.00 0.00 H new ATOM 698 N LEU A 65 8.471 20.677 -17.601 1.00 0.00 N ATOM 699 CA LEU A 65 8.987 19.425 -18.169 1.00 0.00 C ATOM 700 C LEU A 65 7.851 18.563 -18.760 1.00 0.00 C ATOM 701 O LEU A 65 7.841 17.350 -18.597 1.00 0.00 O ATOM 702 CB LEU A 65 9.781 18.695 -17.059 1.00 0.00 C ATOM 703 CG LEU A 65 11.219 19.167 -16.740 1.00 0.00 C ATOM 704 CD1 LEU A 65 11.548 20.612 -17.075 1.00 0.00 C ATOM 705 CD2 LEU A 65 11.527 18.880 -15.272 1.00 0.00 C ATOM 0 H LEU A 65 8.199 20.566 -16.624 1.00 0.00 H new ATOM 0 HA LEU A 65 9.654 19.631 -19.006 1.00 0.00 H new ATOM 0 HB2 LEU A 65 9.200 18.761 -16.139 1.00 0.00 H new ATOM 0 HB3 LEU A 65 9.832 17.640 -17.329 1.00 0.00 H new ATOM 0 HG LEU A 65 11.860 18.593 -17.410 1.00 0.00 H new ATOM 0 HD11 LEU A 65 12.583 20.821 -16.806 1.00 0.00 H new ATOM 0 HD12 LEU A 65 11.410 20.778 -18.143 1.00 0.00 H new ATOM 0 HD13 LEU A 65 10.887 21.275 -16.517 1.00 0.00 H new ATOM 0 HD21 LEU A 65 12.540 19.211 -15.041 1.00 0.00 H new ATOM 0 HD22 LEU A 65 10.818 19.415 -14.640 1.00 0.00 H new ATOM 0 HD23 LEU A 65 11.444 17.809 -15.085 1.00 0.00 H new ATOM 717 N TYR A 66 6.842 19.159 -19.393 1.00 0.00 N ATOM 718 CA TYR A 66 5.656 18.454 -19.910 1.00 0.00 C ATOM 719 C TYR A 66 5.072 19.130 -21.171 1.00 0.00 C ATOM 720 O TYR A 66 5.445 20.257 -21.507 1.00 0.00 O ATOM 721 CB TYR A 66 4.599 18.370 -18.792 1.00 0.00 C ATOM 722 CG TYR A 66 3.905 19.683 -18.458 1.00 0.00 C ATOM 723 CD1 TYR A 66 4.572 20.684 -17.721 1.00 0.00 C ATOM 724 CD2 TYR A 66 2.579 19.899 -18.883 1.00 0.00 C ATOM 725 CE1 TYR A 66 3.922 21.900 -17.422 1.00 0.00 C ATOM 726 CE2 TYR A 66 1.927 21.111 -18.590 1.00 0.00 C ATOM 727 CZ TYR A 66 2.596 22.117 -17.861 1.00 0.00 C ATOM 728 OH TYR A 66 1.954 23.286 -17.582 1.00 0.00 O ATOM 0 H TYR A 66 6.819 20.164 -19.567 1.00 0.00 H new ATOM 0 HA TYR A 66 5.957 17.451 -20.213 1.00 0.00 H new ATOM 0 HB2 TYR A 66 3.843 17.641 -19.083 1.00 0.00 H new ATOM 0 HB3 TYR A 66 5.077 17.990 -17.889 1.00 0.00 H new ATOM 0 HD1 TYR A 66 5.585 20.519 -17.384 1.00 0.00 H new ATOM 0 HD2 TYR A 66 2.060 19.130 -19.437 1.00 0.00 H new ATOM 0 HE1 TYR A 66 4.437 22.664 -16.858 1.00 0.00 H new ATOM 0 HE2 TYR A 66 0.912 21.272 -18.924 1.00 0.00 H new ATOM 0 HH TYR A 66 1.051 23.262 -17.962 1.00 0.00 H new ATOM 738 N ASP A 67 4.142 18.461 -21.866 1.00 0.00 N ATOM 739 CA ASP A 67 3.390 19.031 -23.000 1.00 0.00 C ATOM 740 C ASP A 67 1.999 19.534 -22.576 1.00 0.00 C ATOM 741 O ASP A 67 1.282 18.859 -21.838 1.00 0.00 O ATOM 742 CB ASP A 67 3.252 17.994 -24.116 1.00 0.00 C ATOM 743 CG ASP A 67 2.642 18.611 -25.383 1.00 0.00 C ATOM 744 OD1 ASP A 67 1.396 18.719 -25.452 1.00 0.00 O ATOM 745 OD2 ASP A 67 3.408 19.010 -26.293 1.00 0.00 O ATOM 0 H ASP A 67 3.885 17.496 -21.656 1.00 0.00 H new ATOM 0 HA ASP A 67 3.954 19.889 -23.366 1.00 0.00 H new ATOM 0 HB2 ASP A 67 4.231 17.575 -24.349 1.00 0.00 H new ATOM 0 HB3 ASP A 67 2.626 17.170 -23.773 1.00 0.00 H new ATOM 750 N GLN A 68 1.584 20.702 -23.069 1.00 0.00 N ATOM 751 CA GLN A 68 0.328 21.348 -22.695 1.00 0.00 C ATOM 752 C GLN A 68 -0.962 20.663 -23.190 1.00 0.00 C ATOM 753 O GLN A 68 -2.036 20.953 -22.660 1.00 0.00 O ATOM 754 CB GLN A 68 0.398 22.843 -23.067 1.00 0.00 C ATOM 755 CG GLN A 68 0.356 23.191 -24.571 1.00 0.00 C ATOM 756 CD GLN A 68 1.642 22.922 -25.364 1.00 0.00 C ATOM 757 OE1 GLN A 68 2.705 22.618 -24.837 1.00 0.00 O ATOM 758 NE2 GLN A 68 1.598 23.037 -26.675 1.00 0.00 N ATOM 0 H GLN A 68 2.123 21.234 -23.752 1.00 0.00 H new ATOM 0 HA GLN A 68 0.237 21.238 -21.614 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -0.431 23.354 -22.577 1.00 0.00 H new ATOM 0 HB3 GLN A 68 1.317 23.254 -22.649 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -0.455 22.626 -25.031 1.00 0.00 H new ATOM 0 HG3 GLN A 68 0.106 24.247 -24.672 1.00 0.00 H new ATOM 0 HE21 GLN A 68 0.724 23.289 -27.136 1.00 0.00 H new ATOM 0 HE22 GLN A 68 2.438 22.874 -27.230 1.00 0.00 H new ATOM 767 N GLN A 69 -0.902 19.756 -24.170 1.00 0.00 N ATOM 768 CA GLN A 69 -2.025 18.913 -24.609 1.00 0.00 C ATOM 769 C GLN A 69 -1.800 17.422 -24.343 1.00 0.00 C ATOM 770 O GLN A 69 -2.763 16.691 -24.110 1.00 0.00 O ATOM 771 CB GLN A 69 -2.327 19.195 -26.086 1.00 0.00 C ATOM 772 CG GLN A 69 -2.854 20.619 -26.336 1.00 0.00 C ATOM 773 CD GLN A 69 -4.236 20.882 -25.728 1.00 0.00 C ATOM 774 OE1 GLN A 69 -5.251 20.898 -26.414 1.00 0.00 O ATOM 775 NE2 GLN A 69 -4.347 21.095 -24.430 1.00 0.00 N ATOM 0 H GLN A 69 -0.046 19.581 -24.697 1.00 0.00 H new ATOM 0 HA GLN A 69 -2.896 19.178 -24.010 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -1.420 19.042 -26.671 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -3.062 18.474 -26.444 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -2.144 21.337 -25.925 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -2.900 20.796 -27.411 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -3.516 21.086 -23.839 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -5.264 21.268 -24.018 1.00 0.00 H new ATOM 784 N GLU A 70 -0.545 16.978 -24.286 1.00 0.00 N ATOM 785 CA GLU A 70 -0.175 15.638 -23.813 1.00 0.00 C ATOM 786 C GLU A 70 0.248 15.723 -22.338 1.00 0.00 C ATOM 787 O GLU A 70 1.337 15.301 -21.965 1.00 0.00 O ATOM 788 CB GLU A 70 0.836 14.948 -24.750 1.00 0.00 C ATOM 789 CG GLU A 70 0.239 14.680 -26.137 1.00 0.00 C ATOM 790 CD GLU A 70 1.184 13.804 -26.981 1.00 0.00 C ATOM 791 OE1 GLU A 70 2.067 14.351 -27.686 1.00 0.00 O ATOM 792 OE2 GLU A 70 1.041 12.556 -26.958 1.00 0.00 O ATOM 0 H GLU A 70 0.255 17.543 -24.570 1.00 0.00 H new ATOM 0 HA GLU A 70 -1.040 14.976 -23.851 1.00 0.00 H new ATOM 0 HB2 GLU A 70 1.723 15.574 -24.851 1.00 0.00 H new ATOM 0 HB3 GLU A 70 1.159 14.007 -24.306 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -0.726 14.185 -26.033 1.00 0.00 H new ATOM 0 HG3 GLU A 70 0.059 15.625 -26.649 1.00 0.00 H new ATOM 799 N GLN A 71 -0.615 16.305 -21.490 1.00 0.00 N ATOM 800 CA GLN A 71 -0.313 16.573 -20.071 1.00 0.00 C ATOM 801 C GLN A 71 0.000 15.305 -19.250 1.00 0.00 C ATOM 802 O GLN A 71 0.707 15.378 -18.244 1.00 0.00 O ATOM 803 CB GLN A 71 -1.477 17.348 -19.428 1.00 0.00 C ATOM 804 CG GLN A 71 -1.717 18.720 -20.084 1.00 0.00 C ATOM 805 CD GLN A 71 -2.840 19.533 -19.434 1.00 0.00 C ATOM 806 OE1 GLN A 71 -3.368 19.223 -18.372 1.00 0.00 O ATOM 807 NE2 GLN A 71 -3.252 20.620 -20.052 1.00 0.00 N ATOM 0 H GLN A 71 -1.549 16.606 -21.770 1.00 0.00 H new ATOM 0 HA GLN A 71 0.597 17.173 -20.057 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -2.387 16.752 -19.500 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -1.271 17.489 -18.367 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -0.794 19.298 -20.043 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -1.953 18.571 -21.138 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -2.826 20.896 -20.937 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -3.997 21.186 -19.646 1.00 0.00 H new ATOM 816 N HIS A 72 -0.473 14.135 -19.699 1.00 0.00 N ATOM 817 CA HIS A 72 -0.131 12.812 -19.158 1.00 0.00 C ATOM 818 C HIS A 72 1.329 12.397 -19.422 1.00 0.00 C ATOM 819 O HIS A 72 1.836 11.475 -18.782 1.00 0.00 O ATOM 820 CB HIS A 72 -1.088 11.792 -19.795 1.00 0.00 C ATOM 821 CG HIS A 72 -0.957 11.707 -21.300 1.00 0.00 C ATOM 822 ND1 HIS A 72 -1.633 12.511 -22.225 1.00 0.00 N ATOM 823 CD2 HIS A 72 -0.123 10.865 -21.973 1.00 0.00 C ATOM 824 CE1 HIS A 72 -1.206 12.111 -23.436 1.00 0.00 C ATOM 825 NE2 HIS A 72 -0.293 11.132 -23.314 1.00 0.00 N ATOM 0 H HIS A 72 -1.129 14.081 -20.478 1.00 0.00 H new ATOM 0 HA HIS A 72 -0.236 12.849 -18.074 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -0.899 10.809 -19.365 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -2.114 12.059 -19.541 1.00 0.00 H new ATOM 0 HD2 HIS A 72 0.541 10.132 -21.540 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -1.549 12.519 -24.375 1.00 0.00 H new ATOM 0 HE2 HIS A 72 0.191 10.667 -24.082 1.00 0.00 H new ATOM 833 N MET A 73 1.997 13.057 -20.370 1.00 0.00 N ATOM 834 CA MET A 73 3.353 12.784 -20.835 1.00 0.00 C ATOM 835 C MET A 73 4.337 13.827 -20.286 1.00 0.00 C ATOM 836 O MET A 73 4.077 15.034 -20.303 1.00 0.00 O ATOM 837 CB MET A 73 3.350 12.757 -22.372 1.00 0.00 C ATOM 838 CG MET A 73 4.607 12.131 -22.936 1.00 0.00 C ATOM 839 SD MET A 73 4.716 10.356 -22.636 1.00 0.00 S ATOM 840 CE MET A 73 6.419 10.248 -23.176 1.00 0.00 C ATOM 0 H MET A 73 1.577 13.845 -20.863 1.00 0.00 H new ATOM 0 HA MET A 73 3.685 11.814 -20.465 1.00 0.00 H new ATOM 0 HB2 MET A 73 2.481 12.200 -22.722 1.00 0.00 H new ATOM 0 HB3 MET A 73 3.251 13.774 -22.751 1.00 0.00 H new ATOM 0 HG2 MET A 73 4.645 12.314 -24.010 1.00 0.00 H new ATOM 0 HG3 MET A 73 5.477 12.621 -22.498 1.00 0.00 H new ATOM 0 HE1 MET A 73 6.485 9.592 -24.044 1.00 0.00 H new ATOM 0 HE2 MET A 73 6.779 11.241 -23.444 1.00 0.00 H new ATOM 0 HE3 MET A 73 7.032 9.845 -22.369 1.00 0.00 H new ATOM 850 N VAL A 74 5.496 13.363 -19.822 1.00 0.00 N ATOM 851 CA VAL A 74 6.583 14.187 -19.296 1.00 0.00 C ATOM 852 C VAL A 74 7.656 14.268 -20.375 1.00 0.00 C ATOM 853 O VAL A 74 7.996 13.268 -21.005 1.00 0.00 O ATOM 854 CB VAL A 74 7.104 13.613 -17.962 1.00 0.00 C ATOM 855 CG1 VAL A 74 8.219 14.466 -17.353 1.00 0.00 C ATOM 856 CG2 VAL A 74 5.964 13.566 -16.933 1.00 0.00 C ATOM 0 H VAL A 74 5.712 12.366 -19.801 1.00 0.00 H new ATOM 0 HA VAL A 74 6.242 15.196 -19.064 1.00 0.00 H new ATOM 0 HB VAL A 74 7.492 12.619 -18.186 1.00 0.00 H new ATOM 0 HG11 VAL A 74 8.549 14.018 -16.416 1.00 0.00 H new ATOM 0 HG12 VAL A 74 9.058 14.517 -18.047 1.00 0.00 H new ATOM 0 HG13 VAL A 74 7.845 15.472 -17.162 1.00 0.00 H new ATOM 0 HG21 VAL A 74 6.338 13.160 -15.993 1.00 0.00 H new ATOM 0 HG22 VAL A 74 5.583 14.573 -16.766 1.00 0.00 H new ATOM 0 HG23 VAL A 74 5.161 12.931 -17.308 1.00 0.00 H new ATOM 866 N TYR A 75 8.174 15.473 -20.582 1.00 0.00 N ATOM 867 CA TYR A 75 9.179 15.845 -21.570 1.00 0.00 C ATOM 868 C TYR A 75 10.268 16.662 -20.873 1.00 0.00 C ATOM 869 O TYR A 75 10.356 17.886 -20.985 1.00 0.00 O ATOM 870 CB TYR A 75 8.517 16.582 -22.742 1.00 0.00 C ATOM 871 CG TYR A 75 7.853 15.620 -23.700 1.00 0.00 C ATOM 872 CD1 TYR A 75 8.656 14.680 -24.369 1.00 0.00 C ATOM 873 CD2 TYR A 75 6.459 15.630 -23.897 1.00 0.00 C ATOM 874 CE1 TYR A 75 8.070 13.740 -25.230 1.00 0.00 C ATOM 875 CE2 TYR A 75 5.871 14.714 -24.792 1.00 0.00 C ATOM 876 CZ TYR A 75 6.677 13.763 -25.462 1.00 0.00 C ATOM 877 OH TYR A 75 6.125 12.866 -26.327 1.00 0.00 O ATOM 0 H TYR A 75 7.881 16.274 -20.023 1.00 0.00 H new ATOM 0 HA TYR A 75 9.654 14.963 -22.000 1.00 0.00 H new ATOM 0 HB2 TYR A 75 7.777 17.284 -22.359 1.00 0.00 H new ATOM 0 HB3 TYR A 75 9.267 17.167 -23.274 1.00 0.00 H new ATOM 0 HD1 TYR A 75 9.726 14.681 -24.220 1.00 0.00 H new ATOM 0 HD2 TYR A 75 5.842 16.338 -23.364 1.00 0.00 H new ATOM 0 HE1 TYR A 75 8.685 12.997 -25.716 1.00 0.00 H new ATOM 0 HE2 TYR A 75 4.805 14.738 -24.967 1.00 0.00 H new ATOM 0 HH TYR A 75 5.157 13.012 -26.376 1.00 0.00 H new ATOM 887 N CYS A 76 11.084 15.947 -20.101 1.00 0.00 N ATOM 888 CA CYS A 76 12.220 16.512 -19.373 1.00 0.00 C ATOM 889 C CYS A 76 13.337 17.026 -20.296 1.00 0.00 C ATOM 890 O CYS A 76 14.027 17.978 -19.938 1.00 0.00 O ATOM 891 CB CYS A 76 12.751 15.494 -18.348 1.00 0.00 C ATOM 892 SG CYS A 76 11.604 15.326 -16.953 1.00 0.00 S ATOM 0 H CYS A 76 10.973 14.943 -19.961 1.00 0.00 H new ATOM 0 HA CYS A 76 11.857 17.391 -18.841 1.00 0.00 H new ATOM 0 HB2 CYS A 76 12.890 14.526 -18.829 1.00 0.00 H new ATOM 0 HB3 CYS A 76 13.728 15.813 -17.985 1.00 0.00 H new ATOM 0 HG CYS A 76 12.075 14.460 -16.106 1.00 0.00 H new ATOM 898 N GLY A 77 13.532 16.387 -21.455 1.00 0.00 N ATOM 899 CA GLY A 77 14.384 16.830 -22.578 1.00 0.00 C ATOM 900 C GLY A 77 15.883 17.081 -22.328 1.00 0.00 C ATOM 901 O GLY A 77 16.588 17.462 -23.265 1.00 0.00 O ATOM 0 H GLY A 77 13.076 15.496 -21.651 1.00 0.00 H new ATOM 0 HA2 GLY A 77 14.303 16.082 -23.367 1.00 0.00 H new ATOM 0 HA3 GLY A 77 13.957 17.753 -22.970 1.00 0.00 H new ATOM 905 N GLY A 78 16.380 16.896 -21.100 1.00 0.00 N ATOM 906 CA GLY A 78 17.738 17.276 -20.680 1.00 0.00 C ATOM 907 C GLY A 78 17.833 17.945 -19.298 1.00 0.00 C ATOM 908 O GLY A 78 18.943 18.242 -18.854 1.00 0.00 O ATOM 0 H GLY A 78 15.837 16.467 -20.350 1.00 0.00 H new ATOM 0 HA2 GLY A 78 18.363 16.383 -20.678 1.00 0.00 H new ATOM 0 HA3 GLY A 78 18.155 17.955 -21.424 1.00 0.00 H new ATOM 912 N ASP A 79 16.709 18.178 -18.601 1.00 0.00 N ATOM 913 CA ASP A 79 16.709 18.608 -17.191 1.00 0.00 C ATOM 914 C ASP A 79 17.489 17.629 -16.296 1.00 0.00 C ATOM 915 O ASP A 79 17.504 16.422 -16.554 1.00 0.00 O ATOM 916 CB ASP A 79 15.267 18.733 -16.668 1.00 0.00 C ATOM 917 CG ASP A 79 15.214 19.472 -15.321 1.00 0.00 C ATOM 918 OD1 ASP A 79 15.332 18.806 -14.268 1.00 0.00 O ATOM 919 OD2 ASP A 79 15.084 20.718 -15.312 1.00 0.00 O ATOM 0 H ASP A 79 15.775 18.074 -18.998 1.00 0.00 H new ATOM 0 HA ASP A 79 17.202 19.579 -17.151 1.00 0.00 H new ATOM 0 HB2 ASP A 79 14.659 19.265 -17.400 1.00 0.00 H new ATOM 0 HB3 ASP A 79 14.833 17.739 -16.556 1.00 0.00 H new ATOM 924 N LEU A 80 18.069 18.137 -15.204 1.00 0.00 N ATOM 925 CA LEU A 80 18.763 17.348 -14.182 1.00 0.00 C ATOM 926 C LEU A 80 17.913 16.147 -13.716 1.00 0.00 C ATOM 927 O LEU A 80 18.440 15.043 -13.610 1.00 0.00 O ATOM 928 CB LEU A 80 19.127 18.298 -13.021 1.00 0.00 C ATOM 929 CG LEU A 80 20.384 17.930 -12.206 1.00 0.00 C ATOM 930 CD1 LEU A 80 20.567 18.956 -11.086 1.00 0.00 C ATOM 931 CD2 LEU A 80 20.363 16.542 -11.563 1.00 0.00 C ATOM 0 H LEU A 80 18.068 19.137 -15.001 1.00 0.00 H new ATOM 0 HA LEU A 80 19.674 16.914 -14.594 1.00 0.00 H new ATOM 0 HB2 LEU A 80 19.264 19.300 -13.429 1.00 0.00 H new ATOM 0 HB3 LEU A 80 18.278 18.345 -12.339 1.00 0.00 H new ATOM 0 HG LEU A 80 21.202 17.928 -12.926 1.00 0.00 H new ATOM 0 HD11 LEU A 80 21.453 18.705 -10.504 1.00 0.00 H new ATOM 0 HD12 LEU A 80 20.687 19.949 -11.519 1.00 0.00 H new ATOM 0 HD13 LEU A 80 19.692 18.946 -10.437 1.00 0.00 H new ATOM 0 HD21 LEU A 80 21.291 16.381 -11.014 1.00 0.00 H new ATOM 0 HD22 LEU A 80 19.519 16.471 -10.877 1.00 0.00 H new ATOM 0 HD23 LEU A 80 20.265 15.783 -12.339 1.00 0.00 H new ATOM 943 N LEU A 81 16.593 16.308 -13.541 1.00 0.00 N ATOM 944 CA LEU A 81 15.682 15.201 -13.216 1.00 0.00 C ATOM 945 C LEU A 81 15.641 14.128 -14.318 1.00 0.00 C ATOM 946 O LEU A 81 15.747 12.945 -14.011 1.00 0.00 O ATOM 947 CB LEU A 81 14.279 15.767 -12.914 1.00 0.00 C ATOM 948 CG LEU A 81 13.182 14.710 -12.666 1.00 0.00 C ATOM 949 CD1 LEU A 81 13.523 13.731 -11.540 1.00 0.00 C ATOM 950 CD2 LEU A 81 11.868 15.403 -12.309 1.00 0.00 C ATOM 0 H LEU A 81 16.126 17.211 -13.621 1.00 0.00 H new ATOM 0 HA LEU A 81 16.061 14.695 -12.328 1.00 0.00 H new ATOM 0 HB2 LEU A 81 14.346 16.410 -12.037 1.00 0.00 H new ATOM 0 HB3 LEU A 81 13.972 16.397 -13.749 1.00 0.00 H new ATOM 0 HG LEU A 81 13.098 14.139 -13.591 1.00 0.00 H new ATOM 0 HD11 LEU A 81 12.709 13.016 -11.420 1.00 0.00 H new ATOM 0 HD12 LEU A 81 14.441 13.197 -11.787 1.00 0.00 H new ATOM 0 HD13 LEU A 81 13.663 14.281 -10.609 1.00 0.00 H new ATOM 0 HD21 LEU A 81 11.097 14.653 -12.135 1.00 0.00 H new ATOM 0 HD22 LEU A 81 12.005 15.999 -11.407 1.00 0.00 H new ATOM 0 HD23 LEU A 81 11.564 16.052 -13.130 1.00 0.00 H new ATOM 962 N GLY A 82 15.517 14.512 -15.592 1.00 0.00 N ATOM 963 CA GLY A 82 15.498 13.554 -16.715 1.00 0.00 C ATOM 964 C GLY A 82 16.823 12.798 -16.881 1.00 0.00 C ATOM 965 O GLY A 82 16.846 11.591 -17.127 1.00 0.00 O ATOM 0 H GLY A 82 15.427 15.487 -15.879 1.00 0.00 H new ATOM 0 HA2 GLY A 82 14.693 12.836 -16.559 1.00 0.00 H new ATOM 0 HA3 GLY A 82 15.273 14.089 -17.638 1.00 0.00 H new ATOM 969 N GLU A 83 17.942 13.497 -16.706 1.00 0.00 N ATOM 970 CA GLU A 83 19.300 12.932 -16.756 1.00 0.00 C ATOM 971 C GLU A 83 19.537 11.949 -15.601 1.00 0.00 C ATOM 972 O GLU A 83 20.030 10.838 -15.808 1.00 0.00 O ATOM 973 CB GLU A 83 20.319 14.072 -16.643 1.00 0.00 C ATOM 974 CG GLU A 83 20.247 15.086 -17.787 1.00 0.00 C ATOM 975 CD GLU A 83 21.250 14.754 -18.907 1.00 0.00 C ATOM 976 OE1 GLU A 83 20.924 13.925 -19.792 1.00 0.00 O ATOM 977 OE2 GLU A 83 22.375 15.311 -18.911 1.00 0.00 O ATOM 0 H GLU A 83 17.935 14.500 -16.520 1.00 0.00 H new ATOM 0 HA GLU A 83 19.414 12.398 -17.699 1.00 0.00 H new ATOM 0 HB2 GLU A 83 20.163 14.593 -15.699 1.00 0.00 H new ATOM 0 HB3 GLU A 83 21.322 13.647 -16.610 1.00 0.00 H new ATOM 0 HG2 GLU A 83 19.237 15.102 -18.196 1.00 0.00 H new ATOM 0 HG3 GLU A 83 20.450 16.085 -17.401 1.00 0.00 H new ATOM 984 N LEU A 84 19.134 12.353 -14.393 1.00 0.00 N ATOM 985 CA LEU A 84 19.174 11.536 -13.174 1.00 0.00 C ATOM 986 C LEU A 84 18.300 10.279 -13.296 1.00 0.00 C ATOM 987 O LEU A 84 18.771 9.172 -13.023 1.00 0.00 O ATOM 988 CB LEU A 84 18.782 12.433 -11.979 1.00 0.00 C ATOM 989 CG LEU A 84 18.717 11.817 -10.568 1.00 0.00 C ATOM 990 CD1 LEU A 84 17.421 11.051 -10.295 1.00 0.00 C ATOM 991 CD2 LEU A 84 19.916 10.923 -10.256 1.00 0.00 C ATOM 0 H LEU A 84 18.759 13.287 -14.230 1.00 0.00 H new ATOM 0 HA LEU A 84 20.183 11.158 -13.012 1.00 0.00 H new ATOM 0 HB2 LEU A 84 19.490 13.261 -11.944 1.00 0.00 H new ATOM 0 HB3 LEU A 84 17.803 12.860 -12.196 1.00 0.00 H new ATOM 0 HG LEU A 84 18.742 12.678 -9.899 1.00 0.00 H new ATOM 0 HD11 LEU A 84 17.445 10.645 -9.284 1.00 0.00 H new ATOM 0 HD12 LEU A 84 16.571 11.726 -10.395 1.00 0.00 H new ATOM 0 HD13 LEU A 84 17.323 10.235 -11.011 1.00 0.00 H new ATOM 0 HD21 LEU A 84 19.815 10.517 -9.249 1.00 0.00 H new ATOM 0 HD22 LEU A 84 19.956 10.104 -10.975 1.00 0.00 H new ATOM 0 HD23 LEU A 84 20.833 11.508 -10.321 1.00 0.00 H new ATOM 1003 N LEU A 85 17.046 10.423 -13.745 1.00 0.00 N ATOM 1004 CA LEU A 85 16.139 9.284 -13.924 1.00 0.00 C ATOM 1005 C LEU A 85 16.552 8.390 -15.102 1.00 0.00 C ATOM 1006 O LEU A 85 16.241 7.199 -15.121 1.00 0.00 O ATOM 1007 CB LEU A 85 14.678 9.772 -13.955 1.00 0.00 C ATOM 1008 CG LEU A 85 14.000 10.063 -15.303 1.00 0.00 C ATOM 1009 CD1 LEU A 85 13.224 8.837 -15.790 1.00 0.00 C ATOM 1010 CD2 LEU A 85 12.963 11.178 -15.161 1.00 0.00 C ATOM 0 H LEU A 85 16.636 11.324 -13.992 1.00 0.00 H new ATOM 0 HA LEU A 85 16.218 8.622 -13.062 1.00 0.00 H new ATOM 0 HB2 LEU A 85 14.074 9.024 -13.442 1.00 0.00 H new ATOM 0 HB3 LEU A 85 14.627 10.685 -13.361 1.00 0.00 H new ATOM 0 HG LEU A 85 14.793 10.341 -15.998 1.00 0.00 H new ATOM 0 HD11 LEU A 85 12.751 9.062 -16.746 1.00 0.00 H new ATOM 0 HD12 LEU A 85 13.909 7.998 -15.913 1.00 0.00 H new ATOM 0 HD13 LEU A 85 12.459 8.577 -15.059 1.00 0.00 H new ATOM 0 HD21 LEU A 85 12.496 11.366 -16.128 1.00 0.00 H new ATOM 0 HD22 LEU A 85 12.201 10.876 -14.443 1.00 0.00 H new ATOM 0 HD23 LEU A 85 13.452 12.087 -14.811 1.00 0.00 H new ATOM 1022 N GLY A 86 17.287 8.957 -16.064 1.00 0.00 N ATOM 1023 CA GLY A 86 17.876 8.239 -17.197 1.00 0.00 C ATOM 1024 C GLY A 86 16.949 8.134 -18.409 1.00 0.00 C ATOM 1025 O GLY A 86 17.363 7.613 -19.446 1.00 0.00 O ATOM 0 H GLY A 86 17.494 9.956 -16.076 1.00 0.00 H new ATOM 0 HA2 GLY A 86 18.795 8.743 -17.497 1.00 0.00 H new ATOM 0 HA3 GLY A 86 18.153 7.235 -16.875 1.00 0.00 H new ATOM 1029 N ARG A 87 15.720 8.663 -18.304 1.00 0.00 N ATOM 1030 CA ARG A 87 14.776 8.844 -19.423 1.00 0.00 C ATOM 1031 C ARG A 87 14.369 10.313 -19.494 1.00 0.00 C ATOM 1032 O ARG A 87 13.874 10.867 -18.518 1.00 0.00 O ATOM 1033 CB ARG A 87 13.552 7.906 -19.267 1.00 0.00 C ATOM 1034 CG ARG A 87 13.436 6.828 -20.356 1.00 0.00 C ATOM 1035 CD ARG A 87 14.568 5.797 -20.279 1.00 0.00 C ATOM 1036 NE ARG A 87 14.352 4.683 -21.224 1.00 0.00 N ATOM 1037 CZ ARG A 87 15.208 3.714 -21.507 1.00 0.00 C ATOM 1038 NH1 ARG A 87 16.391 3.651 -20.962 1.00 0.00 N ATOM 1039 NH2 ARG A 87 14.887 2.779 -22.354 1.00 0.00 N ATOM 0 H ARG A 87 15.343 8.987 -17.413 1.00 0.00 H new ATOM 0 HA ARG A 87 15.257 8.573 -20.362 1.00 0.00 H new ATOM 0 HB2 ARG A 87 13.605 7.418 -18.294 1.00 0.00 H new ATOM 0 HB3 ARG A 87 12.644 8.509 -19.272 1.00 0.00 H new ATOM 0 HG2 ARG A 87 12.477 6.319 -20.259 1.00 0.00 H new ATOM 0 HG3 ARG A 87 13.447 7.303 -21.337 1.00 0.00 H new ATOM 0 HD2 ARG A 87 15.519 6.282 -20.499 1.00 0.00 H new ATOM 0 HD3 ARG A 87 14.637 5.406 -19.264 1.00 0.00 H new ATOM 0 HE ARG A 87 13.454 4.658 -21.707 1.00 0.00 H new ATOM 0 HH11 ARG A 87 16.683 4.364 -20.293 1.00 0.00 H new ATOM 0 HH12 ARG A 87 17.024 2.889 -21.204 1.00 0.00 H new ATOM 0 HH21 ARG A 87 13.972 2.791 -22.804 1.00 0.00 H new ATOM 0 HH22 ARG A 87 15.551 2.035 -22.568 1.00 0.00 H new ATOM 1053 N GLN A 88 14.556 10.944 -20.652 1.00 0.00 N ATOM 1054 CA GLN A 88 14.184 12.351 -20.863 1.00 0.00 C ATOM 1055 C GLN A 88 12.692 12.521 -21.221 1.00 0.00 C ATOM 1056 O GLN A 88 12.209 13.649 -21.291 1.00 0.00 O ATOM 1057 CB GLN A 88 15.148 13.013 -21.866 1.00 0.00 C ATOM 1058 CG GLN A 88 16.569 13.248 -21.304 1.00 0.00 C ATOM 1059 CD GLN A 88 17.440 11.987 -21.294 1.00 0.00 C ATOM 1060 OE1 GLN A 88 17.912 11.526 -22.325 1.00 0.00 O ATOM 1061 NE2 GLN A 88 17.672 11.353 -20.160 1.00 0.00 N ATOM 0 H GLN A 88 14.969 10.499 -21.472 1.00 0.00 H new ATOM 0 HA GLN A 88 14.296 12.884 -19.919 1.00 0.00 H new ATOM 0 HB2 GLN A 88 15.218 12.387 -22.755 1.00 0.00 H new ATOM 0 HB3 GLN A 88 14.729 13.969 -22.181 1.00 0.00 H new ATOM 0 HG2 GLN A 88 17.063 14.016 -21.898 1.00 0.00 H new ATOM 0 HG3 GLN A 88 16.490 13.633 -20.287 1.00 0.00 H new ATOM 0 HE21 GLN A 88 17.291 11.715 -19.286 1.00 0.00 H new ATOM 0 HE22 GLN A 88 18.233 10.501 -20.158 1.00 0.00 H new ATOM 1070 N SER A 89 11.947 11.424 -21.393 1.00 0.00 N ATOM 1071 CA SER A 89 10.481 11.404 -21.513 1.00 0.00 C ATOM 1072 C SER A 89 9.887 10.084 -20.997 1.00 0.00 C ATOM 1073 O SER A 89 10.481 9.014 -21.153 1.00 0.00 O ATOM 1074 CB SER A 89 10.049 11.688 -22.960 1.00 0.00 C ATOM 1075 OG SER A 89 10.505 10.697 -23.870 1.00 0.00 O ATOM 0 H SER A 89 12.360 10.493 -21.455 1.00 0.00 H new ATOM 0 HA SER A 89 10.085 12.199 -20.882 1.00 0.00 H new ATOM 0 HB2 SER A 89 8.962 11.746 -23.006 1.00 0.00 H new ATOM 0 HB3 SER A 89 10.433 12.661 -23.266 1.00 0.00 H new ATOM 0 HG SER A 89 10.204 10.921 -24.775 1.00 0.00 H new ATOM 1081 N PHE A 90 8.729 10.171 -20.337 1.00 0.00 N ATOM 1082 CA PHE A 90 7.961 9.043 -19.783 1.00 0.00 C ATOM 1083 C PHE A 90 6.488 9.450 -19.587 1.00 0.00 C ATOM 1084 O PHE A 90 6.169 10.639 -19.588 1.00 0.00 O ATOM 1085 CB PHE A 90 8.589 8.561 -18.457 1.00 0.00 C ATOM 1086 CG PHE A 90 8.581 9.579 -17.328 1.00 0.00 C ATOM 1087 CD1 PHE A 90 9.634 10.508 -17.196 1.00 0.00 C ATOM 1088 CD2 PHE A 90 7.509 9.605 -16.414 1.00 0.00 C ATOM 1089 CE1 PHE A 90 9.595 11.474 -16.175 1.00 0.00 C ATOM 1090 CE2 PHE A 90 7.477 10.568 -15.390 1.00 0.00 C ATOM 1091 CZ PHE A 90 8.515 11.508 -15.275 1.00 0.00 C ATOM 0 H PHE A 90 8.277 11.069 -20.164 1.00 0.00 H new ATOM 0 HA PHE A 90 7.993 8.213 -20.488 1.00 0.00 H new ATOM 0 HB2 PHE A 90 8.057 7.670 -18.125 1.00 0.00 H new ATOM 0 HB3 PHE A 90 9.620 8.264 -18.649 1.00 0.00 H new ATOM 0 HD1 PHE A 90 10.470 10.477 -17.879 1.00 0.00 H new ATOM 0 HD2 PHE A 90 6.710 8.884 -16.500 1.00 0.00 H new ATOM 0 HE1 PHE A 90 10.397 12.192 -16.082 1.00 0.00 H new ATOM 0 HE2 PHE A 90 6.654 10.585 -14.691 1.00 0.00 H new ATOM 0 HZ PHE A 90 8.483 12.256 -14.496 1.00 0.00 H new ATOM 1101 N SER A 91 5.586 8.482 -19.413 1.00 0.00 N ATOM 1102 CA SER A 91 4.148 8.727 -19.202 1.00 0.00 C ATOM 1103 C SER A 91 3.723 8.456 -17.758 1.00 0.00 C ATOM 1104 O SER A 91 4.269 7.579 -17.093 1.00 0.00 O ATOM 1105 CB SER A 91 3.331 7.875 -20.176 1.00 0.00 C ATOM 1106 OG SER A 91 1.943 8.043 -19.938 1.00 0.00 O ATOM 0 H SER A 91 5.831 7.492 -19.414 1.00 0.00 H new ATOM 0 HA SER A 91 3.956 9.782 -19.395 1.00 0.00 H new ATOM 0 HB2 SER A 91 3.567 8.158 -21.202 1.00 0.00 H new ATOM 0 HB3 SER A 91 3.601 6.825 -20.065 1.00 0.00 H new ATOM 0 HG SER A 91 1.434 7.624 -20.663 1.00 0.00 H new ATOM 1112 N VAL A 92 2.690 9.153 -17.283 1.00 0.00 N ATOM 1113 CA VAL A 92 2.025 8.858 -16.004 1.00 0.00 C ATOM 1114 C VAL A 92 1.245 7.531 -16.045 1.00 0.00 C ATOM 1115 O VAL A 92 1.035 6.901 -15.007 1.00 0.00 O ATOM 1116 CB VAL A 92 1.134 10.049 -15.608 1.00 0.00 C ATOM 1117 CG1 VAL A 92 -0.196 10.106 -16.368 1.00 0.00 C ATOM 1118 CG2 VAL A 92 0.863 10.060 -14.108 1.00 0.00 C ATOM 0 H VAL A 92 2.284 9.947 -17.777 1.00 0.00 H new ATOM 0 HA VAL A 92 2.787 8.723 -15.236 1.00 0.00 H new ATOM 0 HB VAL A 92 1.702 10.936 -15.889 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -0.769 10.972 -16.035 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -0.001 10.190 -17.437 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -0.766 9.197 -16.173 1.00 0.00 H new ATOM 0 HG21 VAL A 92 0.231 10.913 -13.859 1.00 0.00 H new ATOM 0 HG22 VAL A 92 0.357 9.138 -13.823 1.00 0.00 H new ATOM 0 HG23 VAL A 92 1.807 10.138 -13.568 1.00 0.00 H new ATOM 1128 N LYS A 93 0.860 7.071 -17.248 1.00 0.00 N ATOM 1129 CA LYS A 93 0.228 5.772 -17.512 1.00 0.00 C ATOM 1130 C LYS A 93 1.252 4.627 -17.613 1.00 0.00 C ATOM 1131 O LYS A 93 0.924 3.478 -17.317 1.00 0.00 O ATOM 1132 CB LYS A 93 -0.608 5.943 -18.793 1.00 0.00 C ATOM 1133 CG LYS A 93 -1.436 4.700 -19.116 1.00 0.00 C ATOM 1134 CD LYS A 93 -2.336 4.925 -20.341 1.00 0.00 C ATOM 1135 CE LYS A 93 -3.153 3.675 -20.699 1.00 0.00 C ATOM 1136 NZ LYS A 93 -2.299 2.559 -21.197 1.00 0.00 N ATOM 0 H LYS A 93 0.987 7.620 -18.098 1.00 0.00 H new ATOM 0 HA LYS A 93 -0.412 5.480 -16.680 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -1.272 6.800 -18.679 1.00 0.00 H new ATOM 0 HB3 LYS A 93 0.055 6.163 -19.630 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -0.771 3.857 -19.302 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -2.051 4.437 -18.255 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -3.014 5.756 -20.144 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -1.721 5.211 -21.194 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -3.705 3.342 -19.820 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -3.890 3.932 -21.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -2.902 1.764 -21.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -1.740 2.886 -22.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -1.658 2.248 -20.439 1.00 0.00 H new ATOM 1150 N ASP A 94 2.497 4.944 -17.978 1.00 0.00 N ATOM 1151 CA ASP A 94 3.641 4.020 -18.018 1.00 0.00 C ATOM 1152 C ASP A 94 4.865 4.599 -17.264 1.00 0.00 C ATOM 1153 O ASP A 94 5.868 4.972 -17.885 1.00 0.00 O ATOM 1154 CB ASP A 94 3.946 3.644 -19.478 1.00 0.00 C ATOM 1155 CG ASP A 94 5.085 2.612 -19.611 1.00 0.00 C ATOM 1156 OD1 ASP A 94 5.404 1.904 -18.623 1.00 0.00 O ATOM 1157 OD2 ASP A 94 5.651 2.487 -20.724 1.00 0.00 O ATOM 0 H ASP A 94 2.749 5.889 -18.266 1.00 0.00 H new ATOM 0 HA ASP A 94 3.386 3.101 -17.490 1.00 0.00 H new ATOM 0 HB2 ASP A 94 3.044 3.242 -19.940 1.00 0.00 H new ATOM 0 HB3 ASP A 94 4.213 4.545 -20.031 1.00 0.00 H new ATOM 1162 N PRO A 95 4.803 4.685 -15.918 1.00 0.00 N ATOM 1163 CA PRO A 95 5.866 5.224 -15.061 1.00 0.00 C ATOM 1164 C PRO A 95 7.026 4.226 -14.849 1.00 0.00 C ATOM 1165 O PRO A 95 7.713 4.279 -13.831 1.00 0.00 O ATOM 1166 CB PRO A 95 5.143 5.612 -13.762 1.00 0.00 C ATOM 1167 CG PRO A 95 4.073 4.529 -13.647 1.00 0.00 C ATOM 1168 CD PRO A 95 3.652 4.324 -15.098 1.00 0.00 C ATOM 0 HA PRO A 95 6.366 6.082 -15.511 1.00 0.00 H new ATOM 0 HB2 PRO A 95 5.817 5.610 -12.905 1.00 0.00 H new ATOM 0 HB3 PRO A 95 4.707 6.609 -13.822 1.00 0.00 H new ATOM 0 HG2 PRO A 95 4.468 3.614 -13.206 1.00 0.00 H new ATOM 0 HG3 PRO A 95 3.238 4.848 -13.024 1.00 0.00 H new ATOM 0 HD2 PRO A 95 3.359 3.289 -15.274 1.00 0.00 H new ATOM 0 HD3 PRO A 95 2.791 4.945 -15.344 1.00 0.00 H new ATOM 1176 N SER A 96 7.264 3.300 -15.782 1.00 0.00 N ATOM 1177 CA SER A 96 8.235 2.200 -15.631 1.00 0.00 C ATOM 1178 C SER A 96 9.677 2.667 -15.350 1.00 0.00 C ATOM 1179 O SER A 96 10.246 2.216 -14.351 1.00 0.00 O ATOM 1180 CB SER A 96 8.192 1.254 -16.840 1.00 0.00 C ATOM 1181 OG SER A 96 6.944 0.588 -16.916 1.00 0.00 O ATOM 0 H SER A 96 6.782 3.289 -16.681 1.00 0.00 H new ATOM 0 HA SER A 96 7.921 1.655 -14.740 1.00 0.00 H new ATOM 0 HB2 SER A 96 8.363 1.820 -17.756 1.00 0.00 H new ATOM 0 HB3 SER A 96 8.996 0.522 -16.763 1.00 0.00 H new ATOM 0 HG SER A 96 6.321 1.120 -17.454 1.00 0.00 H new ATOM 1187 N PRO A 97 10.278 3.605 -16.122 1.00 0.00 N ATOM 1188 CA PRO A 97 11.595 4.156 -15.781 1.00 0.00 C ATOM 1189 C PRO A 97 11.561 5.042 -14.524 1.00 0.00 C ATOM 1190 O PRO A 97 12.587 5.218 -13.871 1.00 0.00 O ATOM 1191 CB PRO A 97 12.034 4.956 -17.010 1.00 0.00 C ATOM 1192 CG PRO A 97 10.711 5.403 -17.627 1.00 0.00 C ATOM 1193 CD PRO A 97 9.802 4.203 -17.368 1.00 0.00 C ATOM 0 HA PRO A 97 12.295 3.356 -15.540 1.00 0.00 H new ATOM 0 HB2 PRO A 97 12.658 5.807 -16.735 1.00 0.00 H new ATOM 0 HB3 PRO A 97 12.615 4.345 -17.701 1.00 0.00 H new ATOM 0 HG2 PRO A 97 10.330 6.309 -17.157 1.00 0.00 H new ATOM 0 HG3 PRO A 97 10.811 5.614 -18.692 1.00 0.00 H new ATOM 0 HD2 PRO A 97 8.761 4.513 -17.280 1.00 0.00 H new ATOM 0 HD3 PRO A 97 9.854 3.489 -18.190 1.00 0.00 H new ATOM 1201 N LEU A 98 10.391 5.579 -14.154 1.00 0.00 N ATOM 1202 CA LEU A 98 10.220 6.427 -12.974 1.00 0.00 C ATOM 1203 C LEU A 98 10.305 5.578 -11.694 1.00 0.00 C ATOM 1204 O LEU A 98 11.147 5.855 -10.845 1.00 0.00 O ATOM 1205 CB LEU A 98 8.913 7.238 -13.132 1.00 0.00 C ATOM 1206 CG LEU A 98 8.786 8.552 -12.338 1.00 0.00 C ATOM 1207 CD1 LEU A 98 8.739 8.336 -10.829 1.00 0.00 C ATOM 1208 CD2 LEU A 98 9.909 9.535 -12.667 1.00 0.00 C ATOM 0 H LEU A 98 9.527 5.433 -14.675 1.00 0.00 H new ATOM 0 HA LEU A 98 11.027 7.154 -12.882 1.00 0.00 H new ATOM 0 HB2 LEU A 98 8.789 7.472 -14.189 1.00 0.00 H new ATOM 0 HB3 LEU A 98 8.081 6.593 -12.848 1.00 0.00 H new ATOM 0 HG LEU A 98 7.833 8.978 -12.652 1.00 0.00 H new ATOM 0 HD11 LEU A 98 8.649 9.299 -10.326 1.00 0.00 H new ATOM 0 HD12 LEU A 98 7.880 7.714 -10.577 1.00 0.00 H new ATOM 0 HD13 LEU A 98 9.654 7.841 -10.504 1.00 0.00 H new ATOM 0 HD21 LEU A 98 9.777 10.446 -12.083 1.00 0.00 H new ATOM 0 HD22 LEU A 98 10.871 9.084 -12.423 1.00 0.00 H new ATOM 0 HD23 LEU A 98 9.881 9.777 -13.729 1.00 0.00 H new ATOM 1220 N TYR A 99 9.553 4.479 -11.580 1.00 0.00 N ATOM 1221 CA TYR A 99 9.710 3.543 -10.453 1.00 0.00 C ATOM 1222 C TYR A 99 11.099 2.903 -10.401 1.00 0.00 C ATOM 1223 O TYR A 99 11.645 2.718 -9.314 1.00 0.00 O ATOM 1224 CB TYR A 99 8.643 2.448 -10.490 1.00 0.00 C ATOM 1225 CG TYR A 99 7.318 2.907 -9.908 1.00 0.00 C ATOM 1226 CD1 TYR A 99 7.136 2.897 -8.509 1.00 0.00 C ATOM 1227 CD2 TYR A 99 6.294 3.391 -10.744 1.00 0.00 C ATOM 1228 CE1 TYR A 99 5.936 3.373 -7.946 1.00 0.00 C ATOM 1229 CE2 TYR A 99 5.094 3.871 -10.183 1.00 0.00 C ATOM 1230 CZ TYR A 99 4.911 3.866 -8.784 1.00 0.00 C ATOM 1231 OH TYR A 99 3.746 4.336 -8.255 1.00 0.00 O ATOM 0 H TYR A 99 8.831 4.213 -12.250 1.00 0.00 H new ATOM 0 HA TYR A 99 9.586 4.140 -9.549 1.00 0.00 H new ATOM 0 HB2 TYR A 99 8.492 2.127 -11.521 1.00 0.00 H new ATOM 0 HB3 TYR A 99 8.999 1.580 -9.935 1.00 0.00 H new ATOM 0 HD1 TYR A 99 7.920 2.523 -7.867 1.00 0.00 H new ATOM 0 HD2 TYR A 99 6.428 3.394 -11.816 1.00 0.00 H new ATOM 0 HE1 TYR A 99 5.799 3.361 -6.875 1.00 0.00 H new ATOM 0 HE2 TYR A 99 4.311 4.244 -10.826 1.00 0.00 H new ATOM 0 HH TYR A 99 3.156 4.636 -8.978 1.00 0.00 H new ATOM 1241 N ASP A 100 11.705 2.617 -11.553 1.00 0.00 N ATOM 1242 CA ASP A 100 13.073 2.101 -11.612 1.00 0.00 C ATOM 1243 C ASP A 100 14.093 3.097 -11.049 1.00 0.00 C ATOM 1244 O ASP A 100 14.994 2.712 -10.302 1.00 0.00 O ATOM 1245 CB ASP A 100 13.399 1.762 -13.069 1.00 0.00 C ATOM 1246 CG ASP A 100 14.748 1.048 -13.227 1.00 0.00 C ATOM 1247 OD1 ASP A 100 14.925 -0.059 -12.667 1.00 0.00 O ATOM 1248 OD2 ASP A 100 15.640 1.591 -13.923 1.00 0.00 O ATOM 0 H ASP A 100 11.266 2.735 -12.466 1.00 0.00 H new ATOM 0 HA ASP A 100 13.138 1.208 -10.990 1.00 0.00 H new ATOM 0 HB2 ASP A 100 12.609 1.130 -13.476 1.00 0.00 H new ATOM 0 HB3 ASP A 100 13.408 2.680 -13.657 1.00 0.00 H new ATOM 1253 N MET A 101 13.909 4.390 -11.335 1.00 0.00 N ATOM 1254 CA MET A 101 14.704 5.448 -10.704 1.00 0.00 C ATOM 1255 C MET A 101 14.436 5.550 -9.197 1.00 0.00 C ATOM 1256 O MET A 101 15.396 5.566 -8.435 1.00 0.00 O ATOM 1257 CB MET A 101 14.588 6.783 -11.465 1.00 0.00 C ATOM 1258 CG MET A 101 13.658 7.852 -10.874 1.00 0.00 C ATOM 1259 SD MET A 101 14.462 9.024 -9.757 1.00 0.00 S ATOM 1260 CE MET A 101 13.172 10.289 -9.808 1.00 0.00 C ATOM 0 H MET A 101 13.215 4.729 -12.001 1.00 0.00 H new ATOM 0 HA MET A 101 15.755 5.168 -10.781 1.00 0.00 H new ATOM 0 HB2 MET A 101 15.586 7.212 -11.547 1.00 0.00 H new ATOM 0 HB3 MET A 101 14.251 6.565 -12.478 1.00 0.00 H new ATOM 0 HG2 MET A 101 13.200 8.408 -11.692 1.00 0.00 H new ATOM 0 HG3 MET A 101 12.851 7.354 -10.336 1.00 0.00 H new ATOM 0 HE1 MET A 101 13.467 11.082 -10.495 1.00 0.00 H new ATOM 0 HE2 MET A 101 12.238 9.842 -10.148 1.00 0.00 H new ATOM 0 HE3 MET A 101 13.032 10.707 -8.811 1.00 0.00 H new ATOM 1270 N LEU A 102 13.181 5.522 -8.727 1.00 0.00 N ATOM 1271 CA LEU A 102 12.850 5.556 -7.294 1.00 0.00 C ATOM 1272 C LEU A 102 13.559 4.407 -6.562 1.00 0.00 C ATOM 1273 O LEU A 102 14.319 4.660 -5.633 1.00 0.00 O ATOM 1274 CB LEU A 102 11.318 5.475 -7.098 1.00 0.00 C ATOM 1275 CG LEU A 102 10.488 6.669 -7.613 1.00 0.00 C ATOM 1276 CD1 LEU A 102 9.001 6.362 -7.440 1.00 0.00 C ATOM 1277 CD2 LEU A 102 10.779 7.986 -6.893 1.00 0.00 C ATOM 0 H LEU A 102 12.362 5.475 -9.333 1.00 0.00 H new ATOM 0 HA LEU A 102 13.198 6.498 -6.870 1.00 0.00 H new ATOM 0 HB2 LEU A 102 10.959 4.573 -7.593 1.00 0.00 H new ATOM 0 HB3 LEU A 102 11.117 5.355 -6.033 1.00 0.00 H new ATOM 0 HG LEU A 102 10.767 6.798 -8.659 1.00 0.00 H new ATOM 0 HD11 LEU A 102 8.411 7.204 -7.803 1.00 0.00 H new ATOM 0 HD12 LEU A 102 8.746 5.468 -8.009 1.00 0.00 H new ATOM 0 HD13 LEU A 102 8.784 6.195 -6.385 1.00 0.00 H new ATOM 0 HD21 LEU A 102 10.156 8.776 -7.313 1.00 0.00 H new ATOM 0 HD22 LEU A 102 10.559 7.876 -5.831 1.00 0.00 H new ATOM 0 HD23 LEU A 102 11.830 8.246 -7.021 1.00 0.00 H new ATOM 1289 N ARG A 103 13.451 3.170 -7.063 1.00 0.00 N ATOM 1290 CA ARG A 103 14.126 1.977 -6.508 1.00 0.00 C ATOM 1291 C ARG A 103 15.663 2.072 -6.475 1.00 0.00 C ATOM 1292 O ARG A 103 16.291 1.332 -5.715 1.00 0.00 O ATOM 1293 CB ARG A 103 13.668 0.734 -7.293 1.00 0.00 C ATOM 1294 CG ARG A 103 12.217 0.352 -6.956 1.00 0.00 C ATOM 1295 CD ARG A 103 11.733 -0.807 -7.833 1.00 0.00 C ATOM 1296 NE ARG A 103 10.372 -1.237 -7.450 1.00 0.00 N ATOM 1297 CZ ARG A 103 9.648 -2.179 -8.031 1.00 0.00 C ATOM 1298 NH1 ARG A 103 10.072 -2.838 -9.073 1.00 0.00 N ATOM 1299 NH2 ARG A 103 8.468 -2.481 -7.570 1.00 0.00 N ATOM 0 H ARG A 103 12.881 2.960 -7.883 1.00 0.00 H new ATOM 0 HA ARG A 103 13.830 1.903 -5.461 1.00 0.00 H new ATOM 0 HB2 ARG A 103 13.755 0.926 -8.362 1.00 0.00 H new ATOM 0 HB3 ARG A 103 14.327 -0.104 -7.065 1.00 0.00 H new ATOM 0 HG2 ARG A 103 12.147 0.071 -5.905 1.00 0.00 H new ATOM 0 HG3 ARG A 103 11.568 1.216 -7.099 1.00 0.00 H new ATOM 0 HD2 ARG A 103 11.739 -0.502 -8.879 1.00 0.00 H new ATOM 0 HD3 ARG A 103 12.421 -1.647 -7.742 1.00 0.00 H new ATOM 0 HE ARG A 103 9.947 -0.758 -6.656 1.00 0.00 H new ATOM 0 HH11 ARG A 103 10.990 -2.633 -9.467 1.00 0.00 H new ATOM 0 HH12 ARG A 103 9.485 -3.558 -9.494 1.00 0.00 H new ATOM 0 HH21 ARG A 103 8.097 -1.990 -6.756 1.00 0.00 H new ATOM 0 HH22 ARG A 103 7.915 -3.208 -8.023 1.00 0.00 H new ATOM 1313 N LYS A 104 16.268 2.987 -7.248 1.00 0.00 N ATOM 1314 CA LYS A 104 17.716 3.295 -7.230 1.00 0.00 C ATOM 1315 C LYS A 104 18.097 4.617 -6.543 1.00 0.00 C ATOM 1316 O LYS A 104 19.286 4.879 -6.375 1.00 0.00 O ATOM 1317 CB LYS A 104 18.266 3.187 -8.665 1.00 0.00 C ATOM 1318 CG LYS A 104 18.339 1.709 -9.086 1.00 0.00 C ATOM 1319 CD LYS A 104 18.881 1.502 -10.507 1.00 0.00 C ATOM 1320 CE LYS A 104 17.820 1.891 -11.541 1.00 0.00 C ATOM 1321 NZ LYS A 104 18.225 1.531 -12.925 1.00 0.00 N ATOM 0 H LYS A 104 15.753 3.552 -7.924 1.00 0.00 H new ATOM 0 HA LYS A 104 18.194 2.550 -6.594 1.00 0.00 H new ATOM 0 HB2 LYS A 104 17.625 3.739 -9.352 1.00 0.00 H new ATOM 0 HB3 LYS A 104 19.256 3.639 -8.720 1.00 0.00 H new ATOM 0 HG2 LYS A 104 18.973 1.170 -8.382 1.00 0.00 H new ATOM 0 HG3 LYS A 104 17.343 1.271 -9.018 1.00 0.00 H new ATOM 0 HD2 LYS A 104 19.778 2.103 -10.653 1.00 0.00 H new ATOM 0 HD3 LYS A 104 19.169 0.460 -10.646 1.00 0.00 H new ATOM 0 HE2 LYS A 104 16.880 1.395 -11.299 1.00 0.00 H new ATOM 0 HE3 LYS A 104 17.637 2.964 -11.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 17.377 1.424 -13.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 18.829 2.282 -13.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 18.752 0.635 -12.910 1.00 0.00 H new ATOM 1335 N ASN A 105 17.129 5.444 -6.132 1.00 0.00 N ATOM 1336 CA ASN A 105 17.355 6.784 -5.537 1.00 0.00 C ATOM 1337 C ASN A 105 16.707 6.973 -4.161 1.00 0.00 C ATOM 1338 O ASN A 105 16.927 7.966 -3.484 1.00 0.00 O ATOM 1339 CB ASN A 105 16.822 7.841 -6.507 1.00 0.00 C ATOM 1340 CG ASN A 105 17.762 8.039 -7.672 1.00 0.00 C ATOM 1341 OD1 ASN A 105 18.629 8.897 -7.677 1.00 0.00 O ATOM 1342 ND2 ASN A 105 17.623 7.188 -8.651 1.00 0.00 N ATOM 0 H ASN A 105 16.140 5.203 -6.202 1.00 0.00 H new ATOM 0 HA ASN A 105 18.428 6.888 -5.378 1.00 0.00 H new ATOM 0 HB2 ASN A 105 15.842 7.539 -6.875 1.00 0.00 H new ATOM 0 HB3 ASN A 105 16.687 8.786 -5.981 1.00 0.00 H new ATOM 0 HD21 ASN A 105 18.251 7.227 -9.454 1.00 0.00 H new ATOM 0 HD22 ASN A 105 16.887 6.483 -8.613 1.00 0.00 H new ATOM 1349 N LEU A 106 15.889 6.013 -3.786 1.00 0.00 N ATOM 1350 CA LEU A 106 15.276 5.788 -2.471 1.00 0.00 C ATOM 1351 C LEU A 106 15.592 4.356 -2.003 1.00 0.00 C ATOM 1352 O LEU A 106 16.016 3.501 -2.782 1.00 0.00 O ATOM 1353 CB LEU A 106 13.731 5.974 -2.493 1.00 0.00 C ATOM 1354 CG LEU A 106 13.093 7.330 -2.845 1.00 0.00 C ATOM 1355 CD1 LEU A 106 13.775 8.532 -2.218 1.00 0.00 C ATOM 1356 CD2 LEU A 106 13.056 7.555 -4.342 1.00 0.00 C ATOM 0 H LEU A 106 15.601 5.295 -4.451 1.00 0.00 H new ATOM 0 HA LEU A 106 15.693 6.529 -1.789 1.00 0.00 H new ATOM 0 HB2 LEU A 106 13.333 5.243 -3.197 1.00 0.00 H new ATOM 0 HB3 LEU A 106 13.364 5.697 -1.505 1.00 0.00 H new ATOM 0 HG LEU A 106 12.088 7.258 -2.430 1.00 0.00 H new ATOM 0 HD11 LEU A 106 13.258 9.443 -2.521 1.00 0.00 H new ATOM 0 HD12 LEU A 106 13.745 8.442 -1.132 1.00 0.00 H new ATOM 0 HD13 LEU A 106 14.812 8.576 -2.550 1.00 0.00 H new ATOM 0 HD21 LEU A 106 12.599 8.522 -4.553 1.00 0.00 H new ATOM 0 HD22 LEU A 106 14.072 7.539 -4.738 1.00 0.00 H new ATOM 0 HD23 LEU A 106 12.471 6.766 -4.814 1.00 0.00 H new ATOM 1368 N VAL A 107 15.282 4.074 -0.737 1.00 0.00 N ATOM 1369 CA VAL A 107 15.298 2.713 -0.152 1.00 0.00 C ATOM 1370 C VAL A 107 13.960 1.983 -0.338 1.00 0.00 C ATOM 1371 O VAL A 107 13.358 1.485 0.614 1.00 0.00 O ATOM 1372 CB VAL A 107 15.793 2.677 1.305 1.00 0.00 C ATOM 1373 CG1 VAL A 107 17.292 2.992 1.367 1.00 0.00 C ATOM 1374 CG2 VAL A 107 15.050 3.647 2.235 1.00 0.00 C ATOM 0 H VAL A 107 15.006 4.793 -0.068 1.00 0.00 H new ATOM 0 HA VAL A 107 16.041 2.156 -0.723 1.00 0.00 H new ATOM 0 HB VAL A 107 15.590 1.666 1.658 1.00 0.00 H new ATOM 0 HG11 VAL A 107 17.627 2.963 2.404 1.00 0.00 H new ATOM 0 HG12 VAL A 107 17.843 2.253 0.786 1.00 0.00 H new ATOM 0 HG13 VAL A 107 17.472 3.985 0.955 1.00 0.00 H new ATOM 0 HG21 VAL A 107 15.454 3.565 3.244 1.00 0.00 H new ATOM 0 HG22 VAL A 107 15.179 4.668 1.874 1.00 0.00 H new ATOM 0 HG23 VAL A 107 13.989 3.398 2.248 1.00 0.00 H new ATOM 1384 N THR A 108 13.487 1.922 -1.586 1.00 0.00 N ATOM 1385 CA THR A 108 12.339 1.091 -1.996 1.00 0.00 C ATOM 1386 C THR A 108 11.070 1.364 -1.170 1.00 0.00 C ATOM 1387 O THR A 108 10.540 0.492 -0.476 1.00 0.00 O ATOM 1388 CB THR A 108 12.742 -0.396 -2.009 1.00 0.00 C ATOM 1389 OG1 THR A 108 13.925 -0.552 -2.775 1.00 0.00 O ATOM 1390 CG2 THR A 108 11.691 -1.296 -2.689 1.00 0.00 C ATOM 0 H THR A 108 13.893 2.454 -2.355 1.00 0.00 H new ATOM 0 HA THR A 108 12.068 1.374 -3.013 1.00 0.00 H new ATOM 0 HB THR A 108 12.859 -0.687 -0.965 1.00 0.00 H new ATOM 0 HG1 THR A 108 14.186 -1.496 -2.785 1.00 0.00 H new ATOM 0 HG21 THR A 108 12.030 -2.332 -2.668 1.00 0.00 H new ATOM 0 HG22 THR A 108 10.743 -1.214 -2.158 1.00 0.00 H new ATOM 0 HG23 THR A 108 11.556 -0.980 -3.723 1.00 0.00 H new ATOM 1398 N LEU A 109 10.581 2.608 -1.221 1.00 0.00 N ATOM 1399 CA LEU A 109 9.260 2.953 -0.684 1.00 0.00 C ATOM 1400 C LEU A 109 8.193 2.798 -1.774 1.00 0.00 C ATOM 1401 O LEU A 109 8.418 3.136 -2.938 1.00 0.00 O ATOM 1402 CB LEU A 109 9.243 4.360 -0.073 1.00 0.00 C ATOM 1403 CG LEU A 109 10.101 4.567 1.184 1.00 0.00 C ATOM 1404 CD1 LEU A 109 9.715 5.917 1.782 1.00 0.00 C ATOM 1405 CD2 LEU A 109 9.895 3.509 2.269 1.00 0.00 C ATOM 0 H LEU A 109 11.083 3.396 -1.631 1.00 0.00 H new ATOM 0 HA LEU A 109 9.029 2.260 0.125 1.00 0.00 H new ATOM 0 HB2 LEU A 109 9.574 5.067 -0.833 1.00 0.00 H new ATOM 0 HB3 LEU A 109 8.212 4.614 0.171 1.00 0.00 H new ATOM 0 HG LEU A 109 11.144 4.503 0.872 1.00 0.00 H new ATOM 0 HD11 LEU A 109 10.306 6.100 2.680 1.00 0.00 H new ATOM 0 HD12 LEU A 109 9.907 6.706 1.054 1.00 0.00 H new ATOM 0 HD13 LEU A 109 8.656 5.911 2.040 1.00 0.00 H new ATOM 0 HD21 LEU A 109 10.539 3.731 3.120 1.00 0.00 H new ATOM 0 HD22 LEU A 109 8.853 3.515 2.590 1.00 0.00 H new ATOM 0 HD23 LEU A 109 10.146 2.526 1.871 1.00 0.00 H new ATOM 1417 N ALA A 110 7.028 2.288 -1.378 1.00 0.00 N ATOM 1418 CA ALA A 110 5.927 1.930 -2.267 1.00 0.00 C ATOM 1419 C ALA A 110 4.569 2.169 -1.572 1.00 0.00 C ATOM 1420 O ALA A 110 4.455 2.023 -0.351 1.00 0.00 O ATOM 1421 CB ALA A 110 6.143 0.467 -2.689 1.00 0.00 C ATOM 0 H ALA A 110 6.819 2.107 -0.396 1.00 0.00 H new ATOM 0 HA ALA A 110 5.910 2.556 -3.159 1.00 0.00 H new ATOM 0 HB1 ALA A 110 5.339 0.158 -3.357 1.00 0.00 H new ATOM 0 HB2 ALA A 110 7.099 0.374 -3.205 1.00 0.00 H new ATOM 0 HB3 ALA A 110 6.145 -0.170 -1.805 1.00 0.00 H new ATOM 1427 N THR A 111 3.545 2.568 -2.336 1.00 0.00 N ATOM 1428 CA THR A 111 2.220 2.965 -1.813 1.00 0.00 C ATOM 1429 C THR A 111 1.072 2.611 -2.766 1.00 0.00 C ATOM 1430 O THR A 111 1.267 2.447 -3.980 1.00 0.00 O ATOM 1431 CB THR A 111 2.208 4.464 -1.448 1.00 0.00 C ATOM 1432 OG1 THR A 111 1.026 4.797 -0.746 1.00 0.00 O ATOM 1433 CG2 THR A 111 2.347 5.419 -2.639 1.00 0.00 C ATOM 0 H THR A 111 3.609 2.627 -3.352 1.00 0.00 H new ATOM 0 HA THR A 111 2.049 2.385 -0.906 1.00 0.00 H new ATOM 0 HB THR A 111 3.093 4.600 -0.827 1.00 0.00 H new ATOM 0 HG1 THR A 111 1.037 5.751 -0.521 1.00 0.00 H new ATOM 0 HG21 THR A 111 2.328 6.449 -2.283 1.00 0.00 H new ATOM 0 HG22 THR A 111 3.291 5.229 -3.150 1.00 0.00 H new ATOM 0 HG23 THR A 111 1.521 5.259 -3.332 1.00 0.00 H new TER 1441 THR A 111 HETATM 1442 N 48L A 200 -0.595 12.221 -10.906 1.00 0.00 N HETATM 1443 CG1 48L A 200 2.662 13.020 -10.568 1.00 0.00 C HETATM 1444 CG2 48L A 200 1.010 10.923 -9.396 1.00 0.00 C HETATM 1445 CG3 48L A 200 -0.901 13.345 -13.024 1.00 0.00 C HETATM 1446 CD1 48L A 200 2.849 12.442 -11.829 1.00 0.00 C HETATM 1447 CD2 48L A 200 3.774 13.261 -9.763 1.00 0.00 C HETATM 1448 CD3 48L A 200 1.199 9.942 -10.374 1.00 0.00 C HETATM 1449 CD4 48L A 200 1.477 10.679 -8.099 1.00 0.00 C HETATM 1450 CD5 48L A 200 -2.026 12.585 -13.373 1.00 0.00 C HETATM 1451 CD6 48L A 200 -0.296 14.126 -14.023 1.00 0.00 C HETATM 1452 CE1 48L A 200 4.127 12.088 -12.264 1.00 0.00 C HETATM 1453 CE2 48L A 200 5.050 12.914 -10.198 1.00 0.00 C HETATM 1454 CE3 48L A 200 2.099 9.472 -7.780 1.00 0.00 C HETATM 1455 CE4 48L A 200 1.845 8.749 -10.059 1.00 0.00 C HETATM 1456 CE5 48L A 200 -2.597 12.685 -14.641 1.00 0.00 C HETATM 1457 CE6 48L A 200 -0.894 14.247 -15.277 1.00 0.00 C HETATM 1458 CZ1 48L A 200 5.227 12.323 -11.443 1.00 0.00 C HETATM 1459 CZ2 48L A 200 2.285 8.501 -8.762 1.00 0.00 C HETATM 1460 CZ3 48L A 200 -2.043 13.540 -15.590 1.00 0.00 C HETATM 1461 CL 48L A 200 6.817 11.883 -11.959 1.00 0.00 CL HETATM 1462 CM1 48L A 200 -3.802 13.086 -17.291 1.00 0.00 C HETATM 1463 CM2 48L A 200 2.332 13.754 -15.607 1.00 0.00 C HETATM 1464 CM3 48L A 200 3.151 15.580 -14.072 1.00 0.00 C HETATM 1465 C1 48L A 200 -1.216 18.680 -12.222 1.00 0.00 C HETATM 1466 N1 48L A 200 -2.409 18.362 -11.700 1.00 0.00 N HETATM 1467 O1 48L A 200 -1.111 19.740 -12.809 1.00 0.00 O HETATM 1468 C2 48L A 200 -2.684 17.103 -11.003 1.00 0.00 C HETATM 1469 N2 48L A 200 -0.351 16.323 -11.537 1.00 0.00 N HETATM 1470 C3 48L A 200 -1.786 15.958 -11.504 1.00 0.00 C HETATM 1471 N3 48L A 200 0.522 14.188 -11.051 1.00 0.00 N HETATM 1472 O3 48L A 200 -2.561 13.695 -16.861 1.00 0.00 O HETATM 1473 C4 48L A 200 -0.060 17.697 -12.049 1.00 0.00 C HETATM 1474 C5 48L A 200 0.675 15.532 -11.107 1.00 0.00 C HETATM 1475 O5 48L A 200 1.713 16.050 -10.734 1.00 0.00 O HETATM 1476 C6 48L A 200 -0.408 13.272 -11.612 1.00 0.00 C HETATM 1477 O6 48L A 200 0.945 14.690 -13.800 1.00 0.00 O HETATM 1478 C7 48L A 200 0.316 12.247 -9.725 1.00 0.00 C HETATM 1479 C8 48L A 200 1.276 13.424 -10.057 1.00 0.00 C HETATM 1480 C9 48L A 200 1.929 15.014 -14.813 1.00 0.00 C HETATM 1481 BR 48L A 200 2.137 7.453 -11.416 1.00 0.00 BR HETATM 1482 F 48L A 200 1.332 11.607 -7.135 1.00 0.00 F