USER MOD reduce.3.24.130724 H: found=0, std=0, add=768, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 768 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 40 GLN : amide:sc= -5.92 K(o=-20,f=-23!) USER MOD Set 1.2: A 48 HIS :FLIP no HE2:sc= -2.77 F(o=-22,f=-20) USER MOD Set 1.3: A 50 HIS : no HD1:sc= -8.21! C(o=-20!,f=-23!) USER MOD Set 1.4: A 81 MET CE :methyl 178:sc= -3.4 (180deg=-1.75) USER MOD Set 2.1: A 41 SER OG : rot -146:sc= 0.891 USER MOD Set 2.2: A 44 SER OG : rot -175:sc= -0.224 USER MOD Set 3.1: A 11 ASN : amide:sc= -1.63! C(o=-1.7!,f=-5.4!) USER MOD Set 3.2: A 89 TYR OH : rot 180:sc= -0.1 USER MOD Single : A 1 ILE N :NH3+ -143:sc= 1.54 (180deg=-0.293!) USER MOD Single : A 5 HIS : no HD1:sc= -0.313 K(o=-0.31,f=-1.4) USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.282 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot -61:sc= 0.918 USER MOD Single : A 16 GLN : amide:sc= -0.574 X(o=-0.57,f=-0.53) USER MOD Single : A 19 TYR OH : rot 130:sc= -0.203 USER MOD Single : A 24 GLN : amide:sc= -0.249 X(o=-0.25,f=-0.047) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot -134:sc= 1.82 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot -66:sc= -1.11 USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.799 USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.127 USER MOD Single : A 43 SER OG : rot 140:sc= -0.164 USER MOD Single : A 45 MET CE :methyl 158:sc= -7.32! (180deg=-8.79!) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.847 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot -33:sc= -2.71 USER MOD Single : A 59 ASN :FLIP amide:sc= 0 F(o=-0.53,f=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.0327 USER MOD Single : A 65 ASN : amide:sc= -0.934 X(o=-0.93,f=-0.5) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -1.19 K(o=-1.2,f=-5.7!) USER MOD Single : A 79 TYR OH : rot 85:sc= 0.532 USER MOD Single : A 80 THR OG1 : rot -38:sc= -0.217 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= -4.71 K(o=-4.7,f=-15!) USER MOD Single : A 93 THR OG1 : rot -115:sc= -2.75! USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 -4.735 -16.232 -1.420 1.00 0.00 N ATOM 2 CA ILE A 1 -3.680 -15.737 -2.341 1.00 0.00 C ATOM 3 C ILE A 1 -4.287 -14.976 -3.514 1.00 0.00 C ATOM 4 O ILE A 1 -4.489 -15.537 -4.593 1.00 0.00 O ATOM 5 CB ILE A 1 -2.824 -16.896 -2.888 1.00 0.00 C ATOM 6 CG1 ILE A 1 -2.385 -17.816 -1.747 1.00 0.00 C ATOM 7 CG2 ILE A 1 -1.615 -16.356 -3.635 1.00 0.00 C ATOM 8 CD1 ILE A 1 -1.845 -19.149 -2.220 1.00 0.00 C ATOM 0 H1 ILE A 1 -4.399 -16.164 -0.438 1.00 0.00 H new ATOM 0 H2 ILE A 1 -5.593 -15.655 -1.533 1.00 0.00 H new ATOM 0 H3 ILE A 1 -4.953 -17.224 -1.643 1.00 0.00 H new ATOM 0 HA ILE A 1 -3.046 -15.065 -1.763 1.00 0.00 H new ATOM 0 HB ILE A 1 -3.428 -17.476 -3.586 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -1.619 -17.311 -1.158 1.00 0.00 H new ATOM 0 HG13 ILE A 1 -3.233 -17.991 -1.085 1.00 0.00 H new ATOM 0 HG21 ILE A 1 -1.021 -17.187 -4.015 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -1.949 -15.738 -4.468 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -1.007 -15.755 -2.958 1.00 0.00 H new ATOM 0 HD11 ILE A 1 -1.553 -19.750 -1.359 1.00 0.00 H new ATOM 0 HD12 ILE A 1 -2.616 -19.674 -2.784 1.00 0.00 H new ATOM 0 HD13 ILE A 1 -0.977 -18.984 -2.858 1.00 0.00 H new ATOM 22 N GLU A 2 -4.578 -13.698 -3.297 1.00 0.00 N ATOM 23 CA GLU A 2 -5.165 -12.861 -4.338 1.00 0.00 C ATOM 24 C GLU A 2 -6.508 -13.425 -4.798 1.00 0.00 C ATOM 25 O GLU A 2 -6.677 -13.779 -5.965 1.00 0.00 O ATOM 26 CB GLU A 2 -4.209 -12.747 -5.528 1.00 0.00 C ATOM 27 CG GLU A 2 -4.524 -11.582 -6.452 1.00 0.00 C ATOM 28 CD GLU A 2 -3.451 -11.363 -7.501 1.00 0.00 C ATOM 29 OE1 GLU A 2 -2.283 -11.721 -7.239 1.00 0.00 O ATOM 30 OE2 GLU A 2 -3.779 -10.833 -8.584 1.00 0.00 O ATOM 0 H GLU A 2 -4.417 -13.219 -2.411 1.00 0.00 H new ATOM 0 HA GLU A 2 -5.334 -11.868 -3.921 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -3.190 -12.640 -5.156 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -4.243 -13.674 -6.101 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -5.479 -11.763 -6.946 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -4.639 -10.674 -5.860 1.00 0.00 H new ATOM 37 N GLY A 3 -7.457 -13.503 -3.872 1.00 0.00 N ATOM 38 CA GLY A 3 -8.771 -14.025 -4.199 1.00 0.00 C ATOM 39 C GLY A 3 -9.849 -12.961 -4.134 1.00 0.00 C ATOM 40 O GLY A 3 -9.586 -11.824 -3.741 1.00 0.00 O ATOM 0 H GLY A 3 -7.340 -13.214 -2.901 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -8.749 -14.455 -5.200 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -9.020 -14.833 -3.510 1.00 0.00 H new ATOM 44 N ARG A 4 -11.066 -13.330 -4.521 1.00 0.00 N ATOM 45 CA ARG A 4 -12.188 -12.399 -4.505 1.00 0.00 C ATOM 46 C ARG A 4 -13.490 -13.124 -4.178 1.00 0.00 C ATOM 47 O ARG A 4 -13.830 -14.127 -4.808 1.00 0.00 O ATOM 48 CB ARG A 4 -12.310 -11.692 -5.856 1.00 0.00 C ATOM 49 CG ARG A 4 -12.335 -12.643 -7.041 1.00 0.00 C ATOM 50 CD ARG A 4 -10.929 -12.984 -7.510 1.00 0.00 C ATOM 51 NE ARG A 4 -10.823 -14.370 -7.958 1.00 0.00 N ATOM 52 CZ ARG A 4 -11.414 -14.843 -9.053 1.00 0.00 C ATOM 53 NH1 ARG A 4 -12.154 -14.046 -9.813 1.00 0.00 N ATOM 54 NH2 ARG A 4 -11.263 -16.118 -9.389 1.00 0.00 N ATOM 0 H ARG A 4 -11.300 -14.267 -4.849 1.00 0.00 H new ATOM 0 HA ARG A 4 -12.001 -11.656 -3.730 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -13.221 -11.093 -5.862 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -11.474 -11.002 -5.972 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -12.859 -13.558 -6.764 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -12.894 -12.191 -7.860 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -10.647 -12.317 -8.325 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -10.224 -12.811 -6.697 1.00 0.00 H new ATOM 0 HE ARG A 4 -10.263 -15.014 -7.399 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -12.272 -13.065 -9.559 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -12.604 -14.414 -10.651 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -10.695 -16.735 -8.808 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -11.715 -16.481 -10.228 1.00 0.00 H new ATOM 68 N HIS A 5 -14.216 -12.611 -3.190 1.00 0.00 N ATOM 69 CA HIS A 5 -15.482 -13.209 -2.781 1.00 0.00 C ATOM 70 C HIS A 5 -16.144 -12.381 -1.684 1.00 0.00 C ATOM 71 O HIS A 5 -15.750 -11.243 -1.428 1.00 0.00 O ATOM 72 CB HIS A 5 -15.256 -14.641 -2.293 1.00 0.00 C ATOM 73 CG HIS A 5 -16.328 -15.595 -2.723 1.00 0.00 C ATOM 74 ND1 HIS A 5 -17.541 -15.185 -3.234 1.00 0.00 N ATOM 75 CD2 HIS A 5 -16.363 -16.949 -2.718 1.00 0.00 C ATOM 76 CE1 HIS A 5 -18.276 -16.243 -3.523 1.00 0.00 C ATOM 77 NE2 HIS A 5 -17.585 -17.325 -3.221 1.00 0.00 N ATOM 0 H HIS A 5 -13.949 -11.783 -2.658 1.00 0.00 H new ATOM 0 HA HIS A 5 -16.146 -13.228 -3.645 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -14.295 -14.996 -2.665 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -15.196 -14.640 -1.205 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -15.577 -17.609 -2.382 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -19.274 -16.225 -3.936 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -17.906 -18.286 -3.341 1.00 0.00 H new ATOM 86 N MET A 6 -17.151 -12.960 -1.038 1.00 0.00 N ATOM 87 CA MET A 6 -17.870 -12.274 0.032 1.00 0.00 C ATOM 88 C MET A 6 -16.917 -11.854 1.147 1.00 0.00 C ATOM 89 O MET A 6 -16.707 -10.664 1.381 1.00 0.00 O ATOM 90 CB MET A 6 -18.968 -13.178 0.598 1.00 0.00 C ATOM 91 CG MET A 6 -20.225 -12.427 1.003 1.00 0.00 C ATOM 92 SD MET A 6 -21.732 -13.348 0.641 1.00 0.00 S ATOM 93 CE MET A 6 -22.247 -13.818 2.291 1.00 0.00 C ATOM 0 H MET A 6 -17.488 -13.902 -1.236 1.00 0.00 H new ATOM 0 HA MET A 6 -18.326 -11.378 -0.388 1.00 0.00 H new ATOM 0 HB2 MET A 6 -19.228 -13.930 -0.147 1.00 0.00 H new ATOM 0 HB3 MET A 6 -18.578 -13.710 1.465 1.00 0.00 H new ATOM 0 HG2 MET A 6 -20.185 -12.209 2.070 1.00 0.00 H new ATOM 0 HG3 MET A 6 -20.255 -11.470 0.483 1.00 0.00 H new ATOM 0 HE1 MET A 6 -23.169 -14.396 2.233 1.00 0.00 H new ATOM 0 HE2 MET A 6 -21.469 -14.422 2.757 1.00 0.00 H new ATOM 0 HE3 MET A 6 -22.417 -12.922 2.888 1.00 0.00 H new ATOM 103 N ALA A 7 -16.342 -12.839 1.830 1.00 0.00 N ATOM 104 CA ALA A 7 -15.412 -12.569 2.920 1.00 0.00 C ATOM 105 C ALA A 7 -16.085 -11.776 4.035 1.00 0.00 C ATOM 106 O ALA A 7 -16.040 -10.547 4.049 1.00 0.00 O ATOM 107 CB ALA A 7 -14.194 -11.822 2.398 1.00 0.00 C ATOM 0 H ALA A 7 -16.504 -13.830 1.648 1.00 0.00 H new ATOM 0 HA ALA A 7 -15.090 -13.524 3.336 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -13.507 -11.626 3.221 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -13.692 -12.427 1.643 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -14.509 -10.877 1.956 1.00 0.00 H new ATOM 113 N PRO A 8 -16.722 -12.474 4.992 1.00 0.00 N ATOM 114 CA PRO A 8 -17.408 -11.827 6.116 1.00 0.00 C ATOM 115 C PRO A 8 -16.431 -11.251 7.136 1.00 0.00 C ATOM 116 O PRO A 8 -15.248 -11.595 7.139 1.00 0.00 O ATOM 117 CB PRO A 8 -18.216 -12.968 6.735 1.00 0.00 C ATOM 118 CG PRO A 8 -17.452 -14.200 6.398 1.00 0.00 C ATOM 119 CD PRO A 8 -16.825 -13.945 5.054 1.00 0.00 C ATOM 0 HA PRO A 8 -18.014 -10.980 5.794 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -18.312 -12.845 7.814 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -19.226 -13.005 6.327 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -16.691 -14.405 7.151 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -18.109 -15.069 6.363 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -15.847 -14.419 4.972 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -17.439 -14.338 4.244 1.00 0.00 H new ATOM 127 N THR A 9 -16.936 -10.375 8.001 1.00 0.00 N ATOM 128 CA THR A 9 -16.116 -9.744 9.034 1.00 0.00 C ATOM 129 C THR A 9 -14.782 -9.259 8.468 1.00 0.00 C ATOM 130 O THR A 9 -14.606 -9.173 7.253 1.00 0.00 O ATOM 131 CB THR A 9 -15.877 -10.717 10.193 1.00 0.00 C ATOM 132 OG1 THR A 9 -15.300 -10.048 11.299 1.00 0.00 O ATOM 133 CG2 THR A 9 -14.968 -11.875 9.834 1.00 0.00 C ATOM 0 H THR A 9 -17.914 -10.084 8.007 1.00 0.00 H new ATOM 0 HA THR A 9 -16.659 -8.875 9.406 1.00 0.00 H new ATOM 0 HB THR A 9 -16.862 -11.114 10.438 1.00 0.00 H new ATOM 0 HG1 THR A 9 -15.157 -10.686 12.029 1.00 0.00 H new ATOM 0 HG21 THR A 9 -14.844 -12.523 10.702 1.00 0.00 H new ATOM 0 HG22 THR A 9 -15.410 -12.445 9.017 1.00 0.00 H new ATOM 0 HG23 THR A 9 -13.996 -11.492 9.525 1.00 0.00 H new ATOM 141 N GLU A 10 -13.846 -8.943 9.358 1.00 0.00 N ATOM 142 CA GLU A 10 -12.529 -8.465 8.949 1.00 0.00 C ATOM 143 C GLU A 10 -11.423 -9.299 9.592 1.00 0.00 C ATOM 144 O GLU A 10 -11.627 -9.913 10.639 1.00 0.00 O ATOM 145 CB GLU A 10 -12.360 -6.994 9.329 1.00 0.00 C ATOM 146 CG GLU A 10 -11.380 -6.241 8.442 1.00 0.00 C ATOM 147 CD GLU A 10 -10.933 -4.928 9.053 1.00 0.00 C ATOM 148 OE1 GLU A 10 -11.807 -4.148 9.490 1.00 0.00 O ATOM 149 OE2 GLU A 10 -9.710 -4.679 9.096 1.00 0.00 O ATOM 0 H GLU A 10 -13.975 -9.009 10.368 1.00 0.00 H new ATOM 0 HA GLU A 10 -12.452 -8.566 7.866 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -13.331 -6.502 9.281 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -12.022 -6.932 10.363 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -10.507 -6.867 8.257 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -11.845 -6.048 7.475 1.00 0.00 H new ATOM 156 N ASN A 11 -10.253 -9.313 8.960 1.00 0.00 N ATOM 157 CA ASN A 11 -9.112 -10.070 9.471 1.00 0.00 C ATOM 158 C ASN A 11 -9.356 -11.572 9.346 1.00 0.00 C ATOM 159 O ASN A 11 -10.238 -12.007 8.605 1.00 0.00 O ATOM 160 CB ASN A 11 -8.839 -9.699 10.931 1.00 0.00 C ATOM 161 CG ASN A 11 -7.356 -9.580 11.229 1.00 0.00 C ATOM 162 OD1 ASN A 11 -6.565 -10.444 10.854 1.00 0.00 O ATOM 163 ND2 ASN A 11 -6.974 -8.504 11.907 1.00 0.00 N ATOM 0 H ASN A 11 -10.069 -8.809 8.093 1.00 0.00 H new ATOM 0 HA ASN A 11 -8.238 -9.814 8.872 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -9.330 -8.754 11.161 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -9.279 -10.454 11.583 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -5.989 -8.369 12.137 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -7.665 -7.813 12.198 1.00 0.00 H new ATOM 170 N SER A 12 -8.568 -12.361 10.073 1.00 0.00 N ATOM 171 CA SER A 12 -8.696 -13.817 10.043 1.00 0.00 C ATOM 172 C SER A 12 -10.154 -14.245 10.186 1.00 0.00 C ATOM 173 O SER A 12 -10.990 -13.482 10.669 1.00 0.00 O ATOM 174 CB SER A 12 -7.857 -14.446 11.159 1.00 0.00 C ATOM 175 OG SER A 12 -7.431 -15.750 10.802 1.00 0.00 O ATOM 0 H SER A 12 -7.833 -12.016 10.691 1.00 0.00 H new ATOM 0 HA SER A 12 -8.330 -14.166 9.078 1.00 0.00 H new ATOM 0 HB2 SER A 12 -6.989 -13.819 11.363 1.00 0.00 H new ATOM 0 HB3 SER A 12 -8.442 -14.490 12.078 1.00 0.00 H new ATOM 0 HG SER A 12 -6.896 -16.130 11.530 1.00 0.00 H new ATOM 181 N THR A 13 -10.451 -15.469 9.759 1.00 0.00 N ATOM 182 CA THR A 13 -11.809 -15.998 9.834 1.00 0.00 C ATOM 183 C THR A 13 -12.788 -15.087 9.098 1.00 0.00 C ATOM 184 O THR A 13 -13.961 -15.000 9.458 1.00 0.00 O ATOM 185 CB THR A 13 -12.243 -16.157 11.294 1.00 0.00 C ATOM 186 OG1 THR A 13 -12.654 -14.914 11.836 1.00 0.00 O ATOM 187 CG2 THR A 13 -11.153 -16.710 12.188 1.00 0.00 C ATOM 0 H THR A 13 -9.770 -16.113 9.357 1.00 0.00 H new ATOM 0 HA THR A 13 -11.816 -16.977 9.354 1.00 0.00 H new ATOM 0 HB THR A 13 -13.068 -16.869 11.271 1.00 0.00 H new ATOM 0 HG1 THR A 13 -11.907 -14.281 11.805 1.00 0.00 H new ATOM 0 HG21 THR A 13 -11.528 -16.797 13.208 1.00 0.00 H new ATOM 0 HG22 THR A 13 -10.851 -17.693 11.828 1.00 0.00 H new ATOM 0 HG23 THR A 13 -10.295 -16.038 12.173 1.00 0.00 H new ATOM 195 N GLY A 14 -12.294 -14.411 8.066 1.00 0.00 N ATOM 196 CA GLY A 14 -13.134 -13.515 7.295 1.00 0.00 C ATOM 197 C GLY A 14 -12.382 -12.855 6.156 1.00 0.00 C ATOM 198 O GLY A 14 -11.982 -11.696 6.257 1.00 0.00 O ATOM 0 H GLY A 14 -11.326 -14.468 7.750 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -13.981 -14.071 6.893 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -13.540 -12.746 7.952 1.00 0.00 H new ATOM 202 N VAL A 15 -12.191 -13.596 5.068 1.00 0.00 N ATOM 203 CA VAL A 15 -11.481 -13.075 3.906 1.00 0.00 C ATOM 204 C VAL A 15 -11.421 -14.112 2.788 1.00 0.00 C ATOM 205 O VAL A 15 -11.540 -13.775 1.610 1.00 0.00 O ATOM 206 CB VAL A 15 -10.048 -12.643 4.273 1.00 0.00 C ATOM 207 CG1 VAL A 15 -9.246 -13.827 4.791 1.00 0.00 C ATOM 208 CG2 VAL A 15 -9.357 -12.002 3.079 1.00 0.00 C ATOM 0 H VAL A 15 -12.518 -14.557 4.968 1.00 0.00 H new ATOM 0 HA VAL A 15 -12.036 -12.204 3.558 1.00 0.00 H new ATOM 0 HB VAL A 15 -10.108 -11.900 5.068 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -8.237 -13.500 5.044 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -9.730 -14.233 5.679 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -9.195 -14.597 4.021 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -8.347 -11.704 3.360 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -9.309 -12.718 2.259 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -9.919 -11.124 2.762 1.00 0.00 H new ATOM 218 N GLN A 16 -11.233 -15.373 3.165 1.00 0.00 N ATOM 219 CA GLN A 16 -11.152 -16.458 2.194 1.00 0.00 C ATOM 220 C GLN A 16 -9.941 -16.281 1.283 1.00 0.00 C ATOM 221 O GLN A 16 -10.060 -16.310 0.058 1.00 0.00 O ATOM 222 CB GLN A 16 -12.434 -16.521 1.357 1.00 0.00 C ATOM 223 CG GLN A 16 -12.856 -17.935 0.996 1.00 0.00 C ATOM 224 CD GLN A 16 -11.753 -18.714 0.308 1.00 0.00 C ATOM 225 OE1 GLN A 16 -11.040 -19.494 0.940 1.00 0.00 O ATOM 226 NE2 GLN A 16 -11.607 -18.506 -0.996 1.00 0.00 N ATOM 0 H GLN A 16 -11.134 -15.668 4.136 1.00 0.00 H new ATOM 0 HA GLN A 16 -11.039 -17.395 2.740 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -13.242 -16.039 1.908 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -12.288 -15.949 0.441 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -13.158 -18.462 1.901 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -13.729 -17.895 0.344 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -12.221 -17.850 -1.480 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -10.881 -19.002 -1.513 1.00 0.00 H new ATOM 235 N ASP A 17 -8.775 -16.095 1.894 1.00 0.00 N ATOM 236 CA ASP A 17 -7.539 -15.911 1.143 1.00 0.00 C ATOM 237 C ASP A 17 -6.324 -16.110 2.042 1.00 0.00 C ATOM 238 O ASP A 17 -6.173 -15.425 3.052 1.00 0.00 O ATOM 239 CB ASP A 17 -7.503 -14.516 0.517 1.00 0.00 C ATOM 240 CG ASP A 17 -7.996 -14.514 -0.917 1.00 0.00 C ATOM 241 OD1 ASP A 17 -7.434 -15.267 -1.740 1.00 0.00 O ATOM 242 OD2 ASP A 17 -8.946 -13.758 -1.215 1.00 0.00 O ATOM 0 H ASP A 17 -8.661 -16.068 2.907 1.00 0.00 H new ATOM 0 HA ASP A 17 -7.508 -16.658 0.350 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -8.117 -13.838 1.110 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -6.483 -14.133 0.548 1.00 0.00 H new ATOM 247 N CYS A 18 -5.461 -17.049 1.667 1.00 0.00 N ATOM 248 CA CYS A 18 -4.263 -17.336 2.443 1.00 0.00 C ATOM 249 C CYS A 18 -3.026 -16.730 1.783 1.00 0.00 C ATOM 250 O CYS A 18 -3.004 -16.497 0.575 1.00 0.00 O ATOM 251 CB CYS A 18 -4.091 -18.850 2.629 1.00 0.00 C ATOM 252 SG CYS A 18 -3.348 -19.720 1.209 1.00 0.00 S ATOM 0 H CYS A 18 -5.570 -17.623 0.831 1.00 0.00 H new ATOM 0 HA CYS A 18 -4.378 -16.879 3.426 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -3.471 -19.025 3.508 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -5.067 -19.289 2.835 1.00 0.00 H new ATOM 257 N TYR A 19 -2.005 -16.470 2.592 1.00 0.00 N ATOM 258 CA TYR A 19 -0.769 -15.881 2.102 1.00 0.00 C ATOM 259 C TYR A 19 0.331 -16.938 2.034 1.00 0.00 C ATOM 260 O TYR A 19 0.090 -18.114 2.311 1.00 0.00 O ATOM 261 CB TYR A 19 -0.332 -14.725 3.010 1.00 0.00 C ATOM 262 CG TYR A 19 0.230 -15.159 4.347 1.00 0.00 C ATOM 263 CD1 TYR A 19 1.557 -15.543 4.477 1.00 0.00 C ATOM 264 CD2 TYR A 19 -0.572 -15.178 5.482 1.00 0.00 C ATOM 265 CE1 TYR A 19 2.071 -15.936 5.697 1.00 0.00 C ATOM 266 CE2 TYR A 19 -0.066 -15.569 6.706 1.00 0.00 C ATOM 267 CZ TYR A 19 1.257 -15.948 6.809 1.00 0.00 C ATOM 268 OH TYR A 19 1.764 -16.338 8.027 1.00 0.00 O ATOM 0 H TYR A 19 -2.012 -16.660 3.594 1.00 0.00 H new ATOM 0 HA TYR A 19 -0.945 -15.492 1.099 1.00 0.00 H new ATOM 0 HB2 TYR A 19 0.420 -14.133 2.488 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -1.187 -14.072 3.184 1.00 0.00 H new ATOM 0 HD1 TYR A 19 2.199 -15.534 3.609 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -1.608 -14.882 5.405 1.00 0.00 H new ATOM 0 HE1 TYR A 19 3.106 -16.233 5.779 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -0.703 -15.578 7.578 1.00 0.00 H new ATOM 0 HH TYR A 19 1.535 -15.669 8.706 1.00 0.00 H new ATOM 278 N ARG A 20 1.536 -16.519 1.669 1.00 0.00 N ATOM 279 CA ARG A 20 2.662 -17.442 1.573 1.00 0.00 C ATOM 280 C ARG A 20 3.965 -16.761 1.980 1.00 0.00 C ATOM 281 O ARG A 20 4.185 -15.589 1.671 1.00 0.00 O ATOM 282 CB ARG A 20 2.777 -17.989 0.153 1.00 0.00 C ATOM 283 CG ARG A 20 1.752 -19.066 -0.164 1.00 0.00 C ATOM 284 CD ARG A 20 1.795 -19.460 -1.631 1.00 0.00 C ATOM 285 NE ARG A 20 3.157 -19.717 -2.090 1.00 0.00 N ATOM 286 CZ ARG A 20 3.858 -20.799 -1.761 1.00 0.00 C ATOM 287 NH1 ARG A 20 3.329 -21.728 -0.974 1.00 0.00 N ATOM 288 NH2 ARG A 20 5.092 -20.954 -2.221 1.00 0.00 N ATOM 0 H ARG A 20 1.759 -15.552 1.435 1.00 0.00 H new ATOM 0 HA ARG A 20 2.481 -18.269 2.259 1.00 0.00 H new ATOM 0 HB2 ARG A 20 2.662 -17.168 -0.555 1.00 0.00 H new ATOM 0 HB3 ARG A 20 3.778 -18.396 0.008 1.00 0.00 H new ATOM 0 HG2 ARG A 20 1.941 -19.943 0.455 1.00 0.00 H new ATOM 0 HG3 ARG A 20 0.755 -18.706 0.088 1.00 0.00 H new ATOM 0 HD2 ARG A 20 1.187 -20.351 -1.785 1.00 0.00 H new ATOM 0 HD3 ARG A 20 1.354 -18.665 -2.233 1.00 0.00 H new ATOM 0 HE ARG A 20 3.597 -19.027 -2.699 1.00 0.00 H new ATOM 0 HH11 ARG A 20 2.380 -21.615 -0.618 1.00 0.00 H new ATOM 0 HH12 ARG A 20 3.872 -22.555 -0.725 1.00 0.00 H new ATOM 0 HH21 ARG A 20 5.503 -20.244 -2.827 1.00 0.00 H new ATOM 0 HH22 ARG A 20 5.630 -21.783 -1.969 1.00 0.00 H new ATOM 302 N GLY A 21 4.824 -17.501 2.676 1.00 0.00 N ATOM 303 CA GLY A 21 6.094 -16.949 3.119 1.00 0.00 C ATOM 304 C GLY A 21 5.924 -15.623 3.833 1.00 0.00 C ATOM 305 O GLY A 21 5.252 -15.549 4.862 1.00 0.00 O ATOM 0 H GLY A 21 4.664 -18.473 2.941 1.00 0.00 H new ATOM 0 HA2 GLY A 21 6.584 -17.659 3.786 1.00 0.00 H new ATOM 0 HA3 GLY A 21 6.750 -16.815 2.259 1.00 0.00 H new ATOM 309 N ASP A 22 6.524 -14.573 3.285 1.00 0.00 N ATOM 310 CA ASP A 22 6.420 -13.248 3.875 1.00 0.00 C ATOM 311 C ASP A 22 5.216 -12.509 3.307 1.00 0.00 C ATOM 312 O ASP A 22 5.335 -11.773 2.329 1.00 0.00 O ATOM 313 CB ASP A 22 7.693 -12.438 3.619 1.00 0.00 C ATOM 314 CG ASP A 22 8.937 -13.138 4.131 1.00 0.00 C ATOM 315 OD1 ASP A 22 9.052 -14.365 3.930 1.00 0.00 O ATOM 316 OD2 ASP A 22 9.794 -12.458 4.735 1.00 0.00 O ATOM 0 H ASP A 22 7.086 -14.615 2.435 1.00 0.00 H new ATOM 0 HA ASP A 22 6.292 -13.366 4.951 1.00 0.00 H new ATOM 0 HB2 ASP A 22 7.796 -12.257 2.549 1.00 0.00 H new ATOM 0 HB3 ASP A 22 7.603 -11.464 4.100 1.00 0.00 H new ATOM 321 N GLY A 23 4.054 -12.718 3.928 1.00 0.00 N ATOM 322 CA GLY A 23 2.830 -12.073 3.478 1.00 0.00 C ATOM 323 C GLY A 23 3.048 -10.649 2.997 1.00 0.00 C ATOM 324 O GLY A 23 2.368 -10.184 2.082 1.00 0.00 O ATOM 0 H GLY A 23 3.940 -13.326 4.739 1.00 0.00 H new ATOM 0 HA2 GLY A 23 2.393 -12.660 2.670 1.00 0.00 H new ATOM 0 HA3 GLY A 23 2.108 -12.068 4.295 1.00 0.00 H new ATOM 328 N GLN A 24 4.002 -9.959 3.612 1.00 0.00 N ATOM 329 CA GLN A 24 4.313 -8.586 3.237 1.00 0.00 C ATOM 330 C GLN A 24 4.753 -8.512 1.777 1.00 0.00 C ATOM 331 O GLN A 24 4.243 -7.700 1.006 1.00 0.00 O ATOM 332 CB GLN A 24 5.410 -8.025 4.145 1.00 0.00 C ATOM 333 CG GLN A 24 6.681 -8.858 4.155 1.00 0.00 C ATOM 334 CD GLN A 24 7.453 -8.725 5.453 1.00 0.00 C ATOM 335 OE1 GLN A 24 8.642 -8.403 5.451 1.00 0.00 O ATOM 336 NE2 GLN A 24 6.780 -8.974 6.571 1.00 0.00 N ATOM 0 H GLN A 24 4.573 -10.328 4.372 1.00 0.00 H new ATOM 0 HA GLN A 24 3.411 -7.985 3.357 1.00 0.00 H new ATOM 0 HB2 GLN A 24 5.653 -7.012 3.823 1.00 0.00 H new ATOM 0 HB3 GLN A 24 5.025 -7.953 5.162 1.00 0.00 H new ATOM 0 HG2 GLN A 24 6.426 -9.905 3.993 1.00 0.00 H new ATOM 0 HG3 GLN A 24 7.318 -8.553 3.325 1.00 0.00 H new ATOM 0 HE21 GLN A 24 5.796 -9.238 6.526 1.00 0.00 H new ATOM 0 HE22 GLN A 24 7.248 -8.901 7.475 1.00 0.00 H new ATOM 345 N SER A 25 5.700 -9.370 1.407 1.00 0.00 N ATOM 346 CA SER A 25 6.211 -9.412 0.038 1.00 0.00 C ATOM 347 C SER A 25 6.584 -8.019 -0.463 1.00 0.00 C ATOM 348 O SER A 25 6.573 -7.763 -1.667 1.00 0.00 O ATOM 349 CB SER A 25 5.173 -10.038 -0.894 1.00 0.00 C ATOM 350 OG SER A 25 5.797 -10.789 -1.921 1.00 0.00 O ATOM 0 H SER A 25 6.130 -10.047 2.037 1.00 0.00 H new ATOM 0 HA SER A 25 7.113 -10.024 0.039 1.00 0.00 H new ATOM 0 HB2 SER A 25 4.507 -10.683 -0.321 1.00 0.00 H new ATOM 0 HB3 SER A 25 4.556 -9.255 -1.335 1.00 0.00 H new ATOM 0 HG SER A 25 5.112 -11.180 -2.503 1.00 0.00 H new ATOM 356 N TYR A 26 6.914 -7.123 0.465 1.00 0.00 N ATOM 357 CA TYR A 26 7.289 -5.758 0.110 1.00 0.00 C ATOM 358 C TYR A 26 6.132 -5.035 -0.579 1.00 0.00 C ATOM 359 O TYR A 26 5.423 -4.247 0.044 1.00 0.00 O ATOM 360 CB TYR A 26 8.524 -5.763 -0.797 1.00 0.00 C ATOM 361 CG TYR A 26 9.739 -5.121 -0.167 1.00 0.00 C ATOM 362 CD1 TYR A 26 9.781 -3.753 0.072 1.00 0.00 C ATOM 363 CD2 TYR A 26 10.845 -5.884 0.189 1.00 0.00 C ATOM 364 CE1 TYR A 26 10.890 -3.163 0.647 1.00 0.00 C ATOM 365 CE2 TYR A 26 11.958 -5.300 0.766 1.00 0.00 C ATOM 366 CZ TYR A 26 11.975 -3.941 0.991 1.00 0.00 C ATOM 367 OH TYR A 26 13.081 -3.356 1.565 1.00 0.00 O ATOM 0 H TYR A 26 6.929 -7.318 1.466 1.00 0.00 H new ATOM 0 HA TYR A 26 7.528 -5.223 1.029 1.00 0.00 H new ATOM 0 HB2 TYR A 26 8.764 -6.792 -1.064 1.00 0.00 H new ATOM 0 HB3 TYR A 26 8.286 -5.240 -1.724 1.00 0.00 H new ATOM 0 HD1 TYR A 26 8.933 -3.141 -0.196 1.00 0.00 H new ATOM 0 HD2 TYR A 26 10.835 -6.949 0.012 1.00 0.00 H new ATOM 0 HE1 TYR A 26 10.907 -2.098 0.826 1.00 0.00 H new ATOM 0 HE2 TYR A 26 12.809 -5.906 1.039 1.00 0.00 H new ATOM 0 HH TYR A 26 13.756 -4.042 1.748 1.00 0.00 H new ATOM 377 N ARG A 27 5.947 -5.314 -1.866 1.00 0.00 N ATOM 378 CA ARG A 27 4.877 -4.691 -2.637 1.00 0.00 C ATOM 379 C ARG A 27 4.048 -5.745 -3.365 1.00 0.00 C ATOM 380 O ARG A 27 4.589 -6.588 -4.083 1.00 0.00 O ATOM 381 CB ARG A 27 5.455 -3.693 -3.642 1.00 0.00 C ATOM 382 CG ARG A 27 6.307 -4.339 -4.722 1.00 0.00 C ATOM 383 CD ARG A 27 5.524 -4.529 -6.010 1.00 0.00 C ATOM 384 NE ARG A 27 6.331 -5.159 -7.054 1.00 0.00 N ATOM 385 CZ ARG A 27 6.652 -6.450 -7.066 1.00 0.00 C ATOM 386 NH1 ARG A 27 6.239 -7.252 -6.093 1.00 0.00 N ATOM 387 NH2 ARG A 27 7.387 -6.941 -8.053 1.00 0.00 N ATOM 0 H ARG A 27 6.524 -5.967 -2.396 1.00 0.00 H new ATOM 0 HA ARG A 27 4.226 -4.158 -1.944 1.00 0.00 H new ATOM 0 HB2 ARG A 27 4.636 -3.150 -4.114 1.00 0.00 H new ATOM 0 HB3 ARG A 27 6.057 -2.959 -3.107 1.00 0.00 H new ATOM 0 HG2 ARG A 27 7.183 -3.719 -4.915 1.00 0.00 H new ATOM 0 HG3 ARG A 27 6.671 -5.304 -4.371 1.00 0.00 H new ATOM 0 HD2 ARG A 27 4.644 -5.142 -5.812 1.00 0.00 H new ATOM 0 HD3 ARG A 27 5.166 -3.562 -6.363 1.00 0.00 H new ATOM 0 HE ARG A 27 6.668 -4.574 -7.819 1.00 0.00 H new ATOM 0 HH11 ARG A 27 5.673 -6.879 -5.331 1.00 0.00 H new ATOM 0 HH12 ARG A 27 6.488 -8.241 -6.107 1.00 0.00 H new ATOM 0 HH21 ARG A 27 7.707 -6.329 -8.804 1.00 0.00 H new ATOM 0 HH22 ARG A 27 7.633 -7.931 -8.062 1.00 0.00 H new ATOM 401 N GLY A 28 2.733 -5.692 -3.177 1.00 0.00 N ATOM 402 CA GLY A 28 1.853 -6.647 -3.823 1.00 0.00 C ATOM 403 C GLY A 28 1.102 -6.043 -4.994 1.00 0.00 C ATOM 404 O GLY A 28 0.912 -4.828 -5.059 1.00 0.00 O ATOM 0 H GLY A 28 2.262 -5.005 -2.589 1.00 0.00 H new ATOM 0 HA2 GLY A 28 2.438 -7.498 -4.171 1.00 0.00 H new ATOM 0 HA3 GLY A 28 1.138 -7.028 -3.094 1.00 0.00 H new ATOM 408 N THR A 29 0.674 -6.893 -5.921 1.00 0.00 N ATOM 409 CA THR A 29 -0.060 -6.435 -7.096 1.00 0.00 C ATOM 410 C THR A 29 -1.531 -6.833 -7.011 1.00 0.00 C ATOM 411 O THR A 29 -2.194 -7.013 -8.032 1.00 0.00 O ATOM 412 CB THR A 29 0.561 -7.012 -8.369 1.00 0.00 C ATOM 413 OG1 THR A 29 0.259 -8.390 -8.495 1.00 0.00 O ATOM 414 CG2 THR A 29 2.067 -6.867 -8.417 1.00 0.00 C ATOM 0 H THR A 29 0.822 -7.901 -5.882 1.00 0.00 H new ATOM 0 HA THR A 29 0.003 -5.347 -7.129 1.00 0.00 H new ATOM 0 HB THR A 29 0.129 -6.437 -9.188 1.00 0.00 H new ATOM 0 HG1 THR A 29 0.664 -8.740 -9.316 1.00 0.00 H new ATOM 0 HG21 THR A 29 2.444 -7.296 -9.345 1.00 0.00 H new ATOM 0 HG22 THR A 29 2.332 -5.811 -8.371 1.00 0.00 H new ATOM 0 HG23 THR A 29 2.510 -7.389 -7.569 1.00 0.00 H new ATOM 422 N LEU A 30 -2.035 -6.968 -5.788 1.00 0.00 N ATOM 423 CA LEU A 30 -3.429 -7.343 -5.574 1.00 0.00 C ATOM 424 C LEU A 30 -4.312 -6.103 -5.493 1.00 0.00 C ATOM 425 O LEU A 30 -5.376 -6.042 -6.110 1.00 0.00 O ATOM 426 CB LEU A 30 -3.579 -8.175 -4.293 1.00 0.00 C ATOM 427 CG LEU A 30 -2.288 -8.804 -3.761 1.00 0.00 C ATOM 428 CD1 LEU A 30 -2.581 -9.698 -2.567 1.00 0.00 C ATOM 429 CD2 LEU A 30 -1.586 -9.593 -4.856 1.00 0.00 C ATOM 0 H LEU A 30 -1.500 -6.824 -4.932 1.00 0.00 H new ATOM 0 HA LEU A 30 -3.748 -7.948 -6.423 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -4.000 -7.539 -3.515 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -4.300 -8.971 -4.480 1.00 0.00 H new ATOM 0 HG LEU A 30 -1.626 -8.001 -3.436 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.651 -10.136 -2.203 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.039 -9.107 -1.774 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -3.263 -10.493 -2.867 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.671 -10.032 -4.458 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -2.244 -10.386 -5.212 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -1.339 -8.927 -5.683 1.00 0.00 H new ATOM 441 N SER A 31 -3.861 -5.113 -4.728 1.00 0.00 N ATOM 442 CA SER A 31 -4.605 -3.870 -4.564 1.00 0.00 C ATOM 443 C SER A 31 -6.006 -4.140 -4.024 1.00 0.00 C ATOM 444 O SER A 31 -6.986 -3.558 -4.489 1.00 0.00 O ATOM 445 CB SER A 31 -4.693 -3.123 -5.896 1.00 0.00 C ATOM 446 OG SER A 31 -3.562 -3.390 -6.707 1.00 0.00 O ATOM 0 H SER A 31 -2.982 -5.149 -4.211 1.00 0.00 H new ATOM 0 HA SER A 31 -4.072 -3.250 -3.843 1.00 0.00 H new ATOM 0 HB2 SER A 31 -5.600 -3.419 -6.423 1.00 0.00 H new ATOM 0 HB3 SER A 31 -4.767 -2.051 -5.711 1.00 0.00 H new ATOM 0 HG SER A 31 -3.220 -2.550 -7.078 1.00 0.00 H new ATOM 452 N THR A 32 -6.091 -5.024 -3.037 1.00 0.00 N ATOM 453 CA THR A 32 -7.370 -5.370 -2.430 1.00 0.00 C ATOM 454 C THR A 32 -7.284 -5.292 -0.907 1.00 0.00 C ATOM 455 O THR A 32 -6.344 -4.714 -0.363 1.00 0.00 O ATOM 456 CB THR A 32 -7.798 -6.773 -2.863 1.00 0.00 C ATOM 457 OG1 THR A 32 -7.199 -7.119 -4.100 1.00 0.00 O ATOM 458 CG2 THR A 32 -9.295 -6.915 -3.023 1.00 0.00 C ATOM 0 H THR A 32 -5.289 -5.514 -2.640 1.00 0.00 H new ATOM 0 HA THR A 32 -8.117 -4.652 -2.770 1.00 0.00 H new ATOM 0 HB THR A 32 -7.468 -7.438 -2.065 1.00 0.00 H new ATOM 0 HG1 THR A 32 -7.483 -8.020 -4.360 1.00 0.00 H new ATOM 0 HG21 THR A 32 -9.533 -7.933 -3.331 1.00 0.00 H new ATOM 0 HG22 THR A 32 -9.784 -6.700 -2.073 1.00 0.00 H new ATOM 0 HG23 THR A 32 -9.648 -6.215 -3.780 1.00 0.00 H new ATOM 466 N THR A 33 -8.267 -5.869 -0.224 1.00 0.00 N ATOM 467 CA THR A 33 -8.294 -5.855 1.231 1.00 0.00 C ATOM 468 C THR A 33 -8.880 -7.151 1.786 1.00 0.00 C ATOM 469 O THR A 33 -8.148 -8.073 2.142 1.00 0.00 O ATOM 470 CB THR A 33 -9.107 -4.665 1.742 1.00 0.00 C ATOM 471 OG1 THR A 33 -10.420 -4.700 1.216 1.00 0.00 O ATOM 472 CG2 THR A 33 -8.509 -3.323 1.394 1.00 0.00 C ATOM 0 H THR A 33 -9.055 -6.352 -0.656 1.00 0.00 H new ATOM 0 HA THR A 33 -7.265 -5.763 1.578 1.00 0.00 H new ATOM 0 HB THR A 33 -9.107 -4.765 2.827 1.00 0.00 H new ATOM 0 HG1 THR A 33 -10.387 -4.566 0.246 1.00 0.00 H new ATOM 0 HG21 THR A 33 -9.142 -2.529 1.790 1.00 0.00 H new ATOM 0 HG22 THR A 33 -7.513 -3.245 1.830 1.00 0.00 H new ATOM 0 HG23 THR A 33 -8.440 -3.225 0.311 1.00 0.00 H new ATOM 480 N ILE A 34 -10.206 -7.208 1.870 1.00 0.00 N ATOM 481 CA ILE A 34 -10.884 -8.382 2.396 1.00 0.00 C ATOM 482 C ILE A 34 -12.142 -8.709 1.590 1.00 0.00 C ATOM 483 O ILE A 34 -12.426 -9.875 1.314 1.00 0.00 O ATOM 484 CB ILE A 34 -11.245 -8.183 3.891 1.00 0.00 C ATOM 485 CG1 ILE A 34 -10.993 -9.474 4.672 1.00 0.00 C ATOM 486 CG2 ILE A 34 -12.688 -7.724 4.063 1.00 0.00 C ATOM 487 CD1 ILE A 34 -9.672 -9.478 5.409 1.00 0.00 C ATOM 0 H ILE A 34 -10.829 -6.454 1.580 1.00 0.00 H new ATOM 0 HA ILE A 34 -10.197 -9.224 2.308 1.00 0.00 H new ATOM 0 HB ILE A 34 -10.602 -7.398 4.289 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -11.801 -9.621 5.388 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -11.020 -10.318 3.983 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -12.905 -7.595 5.123 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -12.832 -6.776 3.545 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -13.360 -8.472 3.644 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -9.556 -10.422 5.942 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -8.857 -9.362 4.695 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -9.650 -8.654 6.122 1.00 0.00 H new ATOM 499 N THR A 35 -12.894 -7.676 1.222 1.00 0.00 N ATOM 500 CA THR A 35 -14.120 -7.864 0.457 1.00 0.00 C ATOM 501 C THR A 35 -13.996 -7.291 -0.952 1.00 0.00 C ATOM 502 O THR A 35 -15.001 -7.030 -1.612 1.00 0.00 O ATOM 503 CB THR A 35 -15.301 -7.217 1.181 1.00 0.00 C ATOM 504 OG1 THR A 35 -15.098 -7.231 2.582 1.00 0.00 O ATOM 505 CG2 THR A 35 -16.622 -7.900 0.902 1.00 0.00 C ATOM 0 H THR A 35 -12.676 -6.704 1.441 1.00 0.00 H new ATOM 0 HA THR A 35 -14.294 -8.937 0.370 1.00 0.00 H new ATOM 0 HB THR A 35 -15.350 -6.197 0.799 1.00 0.00 H new ATOM 0 HG1 THR A 35 -15.863 -6.811 3.028 1.00 0.00 H new ATOM 0 HG21 THR A 35 -17.417 -7.391 1.447 1.00 0.00 H new ATOM 0 HG22 THR A 35 -16.832 -7.862 -0.167 1.00 0.00 H new ATOM 0 HG23 THR A 35 -16.569 -8.940 1.225 1.00 0.00 H new ATOM 513 N GLY A 36 -12.764 -7.109 -1.414 1.00 0.00 N ATOM 514 CA GLY A 36 -12.550 -6.580 -2.748 1.00 0.00 C ATOM 515 C GLY A 36 -12.178 -5.110 -2.759 1.00 0.00 C ATOM 516 O GLY A 36 -11.538 -4.637 -3.696 1.00 0.00 O ATOM 0 H GLY A 36 -11.913 -7.317 -0.891 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -11.760 -7.151 -3.235 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -13.456 -6.723 -3.337 1.00 0.00 H new ATOM 520 N ARG A 37 -12.575 -4.381 -1.719 1.00 0.00 N ATOM 521 CA ARG A 37 -12.268 -2.959 -1.636 1.00 0.00 C ATOM 522 C ARG A 37 -10.760 -2.736 -1.637 1.00 0.00 C ATOM 523 O ARG A 37 -10.029 -3.367 -0.873 1.00 0.00 O ATOM 524 CB ARG A 37 -12.898 -2.339 -0.385 1.00 0.00 C ATOM 525 CG ARG A 37 -12.527 -3.044 0.907 1.00 0.00 C ATOM 526 CD ARG A 37 -13.534 -2.759 2.008 1.00 0.00 C ATOM 527 NE ARG A 37 -14.686 -3.654 1.940 1.00 0.00 N ATOM 528 CZ ARG A 37 -15.823 -3.453 2.603 1.00 0.00 C ATOM 529 NH1 ARG A 37 -15.964 -2.389 3.383 1.00 0.00 N ATOM 530 NH2 ARG A 37 -16.822 -4.317 2.483 1.00 0.00 N ATOM 0 H ARG A 37 -13.105 -4.749 -0.929 1.00 0.00 H new ATOM 0 HA ARG A 37 -12.692 -2.469 -2.512 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -12.594 -1.294 -0.317 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -13.983 -2.349 -0.494 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -12.472 -4.119 0.733 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -11.536 -2.721 1.227 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -13.050 -2.865 2.979 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -13.872 -1.726 1.931 1.00 0.00 H new ATOM 0 HE ARG A 37 -14.615 -4.483 1.349 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -15.199 -1.720 3.477 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -16.837 -2.240 3.889 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -16.719 -5.135 1.883 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -17.693 -4.163 2.991 1.00 0.00 H new ATOM 544 N THR A 38 -10.301 -1.847 -2.510 1.00 0.00 N ATOM 545 CA THR A 38 -8.877 -1.547 -2.628 1.00 0.00 C ATOM 546 C THR A 38 -8.245 -1.255 -1.281 1.00 0.00 C ATOM 547 O THR A 38 -8.918 -1.211 -0.256 1.00 0.00 O ATOM 548 CB THR A 38 -8.653 -0.339 -3.535 1.00 0.00 C ATOM 549 OG1 THR A 38 -9.212 0.839 -2.962 1.00 0.00 O ATOM 550 CG2 THR A 38 -9.253 -0.504 -4.913 1.00 0.00 C ATOM 0 H THR A 38 -10.896 -1.319 -3.149 1.00 0.00 H new ATOM 0 HA THR A 38 -8.408 -2.433 -3.055 1.00 0.00 H new ATOM 0 HB THR A 38 -7.571 -0.255 -3.633 1.00 0.00 H new ATOM 0 HG1 THR A 38 -9.055 1.600 -3.560 1.00 0.00 H new ATOM 0 HG21 THR A 38 -9.057 0.390 -5.505 1.00 0.00 H new ATOM 0 HG22 THR A 38 -8.806 -1.369 -5.403 1.00 0.00 H new ATOM 0 HG23 THR A 38 -10.329 -0.653 -4.826 1.00 0.00 H new ATOM 558 N CYS A 39 -6.942 -1.023 -1.311 1.00 0.00 N ATOM 559 CA CYS A 39 -6.193 -0.694 -0.112 1.00 0.00 C ATOM 560 C CYS A 39 -6.013 0.824 0.008 1.00 0.00 C ATOM 561 O CYS A 39 -5.356 1.311 0.927 1.00 0.00 O ATOM 562 CB CYS A 39 -4.833 -1.392 -0.129 1.00 0.00 C ATOM 563 SG CYS A 39 -4.702 -2.772 1.055 1.00 0.00 S ATOM 0 H CYS A 39 -6.379 -1.057 -2.161 1.00 0.00 H new ATOM 0 HA CYS A 39 -6.754 -1.044 0.755 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -4.640 -1.768 -1.134 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -4.056 -0.660 0.092 1.00 0.00 H new ATOM 568 N GLN A 40 -6.607 1.570 -0.927 1.00 0.00 N ATOM 569 CA GLN A 40 -6.517 3.029 -0.922 1.00 0.00 C ATOM 570 C GLN A 40 -5.090 3.496 -1.151 1.00 0.00 C ATOM 571 O GLN A 40 -4.137 2.892 -0.658 1.00 0.00 O ATOM 572 CB GLN A 40 -7.041 3.589 0.399 1.00 0.00 C ATOM 573 CG GLN A 40 -8.455 4.140 0.307 1.00 0.00 C ATOM 574 CD GLN A 40 -8.574 5.295 -0.667 1.00 0.00 C ATOM 575 OE1 GLN A 40 -8.530 5.105 -1.884 1.00 0.00 O ATOM 576 NE2 GLN A 40 -8.730 6.503 -0.138 1.00 0.00 N ATOM 0 H GLN A 40 -7.155 1.186 -1.697 1.00 0.00 H new ATOM 0 HA GLN A 40 -7.133 3.402 -1.740 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -7.015 2.803 1.154 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -6.373 4.380 0.739 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -9.132 3.342 0.001 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -8.776 4.470 1.295 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -8.761 6.616 0.875 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -8.819 7.318 -0.745 1.00 0.00 H new ATOM 585 N SER A 41 -4.953 4.582 -1.900 1.00 0.00 N ATOM 586 CA SER A 41 -3.645 5.145 -2.191 1.00 0.00 C ATOM 587 C SER A 41 -3.179 6.022 -1.040 1.00 0.00 C ATOM 588 O SER A 41 -3.830 7.004 -0.689 1.00 0.00 O ATOM 589 CB SER A 41 -3.684 5.944 -3.499 1.00 0.00 C ATOM 590 OG SER A 41 -2.938 7.145 -3.397 1.00 0.00 O ATOM 0 H SER A 41 -5.733 5.090 -2.317 1.00 0.00 H new ATOM 0 HA SER A 41 -2.934 4.328 -2.311 1.00 0.00 H new ATOM 0 HB2 SER A 41 -3.286 5.335 -4.311 1.00 0.00 H new ATOM 0 HB3 SER A 41 -4.718 6.177 -3.753 1.00 0.00 H new ATOM 0 HG SER A 41 -3.365 7.842 -3.937 1.00 0.00 H new ATOM 596 N TRP A 42 -2.043 5.660 -0.457 1.00 0.00 N ATOM 597 CA TRP A 42 -1.476 6.412 0.659 1.00 0.00 C ATOM 598 C TRP A 42 -1.424 7.908 0.347 1.00 0.00 C ATOM 599 O TRP A 42 -1.352 8.736 1.255 1.00 0.00 O ATOM 600 CB TRP A 42 -0.071 5.895 0.991 1.00 0.00 C ATOM 601 CG TRP A 42 0.044 4.400 0.938 1.00 0.00 C ATOM 602 CD1 TRP A 42 0.439 3.647 -0.129 1.00 0.00 C ATOM 603 CD2 TRP A 42 -0.245 3.478 1.997 1.00 0.00 C ATOM 604 NE1 TRP A 42 0.409 2.312 0.197 1.00 0.00 N ATOM 605 CE2 TRP A 42 -0.004 2.182 1.497 1.00 0.00 C ATOM 606 CE3 TRP A 42 -0.681 3.620 3.315 1.00 0.00 C ATOM 607 CZ2 TRP A 42 -0.187 1.041 2.271 1.00 0.00 C ATOM 608 CZ3 TRP A 42 -0.862 2.486 4.084 1.00 0.00 C ATOM 609 CH2 TRP A 42 -0.615 1.211 3.560 1.00 0.00 C ATOM 0 H TRP A 42 -1.494 4.848 -0.738 1.00 0.00 H new ATOM 0 HA TRP A 42 -2.123 6.267 1.524 1.00 0.00 H new ATOM 0 HB2 TRP A 42 0.643 6.331 0.292 1.00 0.00 H new ATOM 0 HB3 TRP A 42 0.208 6.238 1.987 1.00 0.00 H new ATOM 0 HD1 TRP A 42 0.733 4.042 -1.090 1.00 0.00 H new ATOM 0 HE1 TRP A 42 0.654 1.543 -0.427 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -0.874 4.599 3.727 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 0.002 0.056 1.869 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -1.199 2.585 5.105 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -0.765 0.344 4.186 1.00 0.00 H new ATOM 620 N SER A 43 -1.461 8.246 -0.939 1.00 0.00 N ATOM 621 CA SER A 43 -1.417 9.640 -1.365 1.00 0.00 C ATOM 622 C SER A 43 -2.798 10.140 -1.789 1.00 0.00 C ATOM 623 O SER A 43 -3.027 11.348 -1.864 1.00 0.00 O ATOM 624 CB SER A 43 -0.428 9.808 -2.519 1.00 0.00 C ATOM 625 OG SER A 43 0.903 9.580 -2.088 1.00 0.00 O ATOM 0 H SER A 43 -1.521 7.573 -1.703 1.00 0.00 H new ATOM 0 HA SER A 43 -1.087 10.237 -0.514 1.00 0.00 H new ATOM 0 HB2 SER A 43 -0.678 9.113 -3.320 1.00 0.00 H new ATOM 0 HB3 SER A 43 -0.513 10.813 -2.931 1.00 0.00 H new ATOM 0 HG SER A 43 1.388 9.077 -2.775 1.00 0.00 H new ATOM 631 N SER A 44 -3.722 9.218 -2.067 1.00 0.00 N ATOM 632 CA SER A 44 -5.067 9.597 -2.482 1.00 0.00 C ATOM 633 C SER A 44 -5.927 9.954 -1.273 1.00 0.00 C ATOM 634 O SER A 44 -6.881 9.249 -0.946 1.00 0.00 O ATOM 635 CB SER A 44 -5.721 8.462 -3.273 1.00 0.00 C ATOM 636 OG SER A 44 -5.053 8.249 -4.504 1.00 0.00 O ATOM 0 H SER A 44 -3.562 8.212 -2.012 1.00 0.00 H new ATOM 0 HA SER A 44 -4.989 10.475 -3.123 1.00 0.00 H new ATOM 0 HB2 SER A 44 -5.704 7.546 -2.683 1.00 0.00 H new ATOM 0 HB3 SER A 44 -6.768 8.701 -3.460 1.00 0.00 H new ATOM 0 HG SER A 44 -5.535 7.573 -5.025 1.00 0.00 H new ATOM 642 N MET A 45 -5.581 11.055 -0.610 1.00 0.00 N ATOM 643 CA MET A 45 -6.317 11.503 0.565 1.00 0.00 C ATOM 644 C MET A 45 -7.466 12.427 0.174 1.00 0.00 C ATOM 645 O MET A 45 -7.596 13.534 0.698 1.00 0.00 O ATOM 646 CB MET A 45 -5.377 12.218 1.539 1.00 0.00 C ATOM 647 CG MET A 45 -4.689 13.433 0.938 1.00 0.00 C ATOM 648 SD MET A 45 -3.782 14.392 2.165 1.00 0.00 S ATOM 649 CE MET A 45 -2.448 13.264 2.558 1.00 0.00 C ATOM 0 H MET A 45 -4.795 11.652 -0.868 1.00 0.00 H new ATOM 0 HA MET A 45 -6.737 10.624 1.055 1.00 0.00 H new ATOM 0 HB2 MET A 45 -5.944 12.529 2.416 1.00 0.00 H new ATOM 0 HB3 MET A 45 -4.619 11.514 1.882 1.00 0.00 H new ATOM 0 HG2 MET A 45 -4.003 13.108 0.156 1.00 0.00 H new ATOM 0 HG3 MET A 45 -5.435 14.070 0.463 1.00 0.00 H new ATOM 0 HE1 MET A 45 -1.611 13.822 2.978 1.00 0.00 H new ATOM 0 HE2 MET A 45 -2.795 12.529 3.284 1.00 0.00 H new ATOM 0 HE3 MET A 45 -2.124 12.753 1.651 1.00 0.00 H new ATOM 659 N THR A 46 -8.301 11.962 -0.750 1.00 0.00 N ATOM 660 CA THR A 46 -9.443 12.742 -1.210 1.00 0.00 C ATOM 661 C THR A 46 -10.676 12.456 -0.353 1.00 0.00 C ATOM 662 O THR A 46 -11.232 13.363 0.264 1.00 0.00 O ATOM 663 CB THR A 46 -9.740 12.440 -2.683 1.00 0.00 C ATOM 664 OG1 THR A 46 -8.944 11.363 -3.147 1.00 0.00 O ATOM 665 CG2 THR A 46 -9.490 13.620 -3.597 1.00 0.00 C ATOM 0 H THR A 46 -8.208 11.049 -1.195 1.00 0.00 H new ATOM 0 HA THR A 46 -9.194 13.799 -1.113 1.00 0.00 H new ATOM 0 HB THR A 46 -10.800 12.190 -2.717 1.00 0.00 H new ATOM 0 HG1 THR A 46 -9.150 11.186 -4.088 1.00 0.00 H new ATOM 0 HG21 THR A 46 -9.720 13.339 -4.625 1.00 0.00 H new ATOM 0 HG22 THR A 46 -10.126 14.453 -3.298 1.00 0.00 H new ATOM 0 HG23 THR A 46 -8.444 13.919 -3.527 1.00 0.00 H new ATOM 673 N PRO A 47 -11.122 11.186 -0.302 1.00 0.00 N ATOM 674 CA PRO A 47 -12.290 10.795 0.485 1.00 0.00 C ATOM 675 C PRO A 47 -11.949 10.567 1.955 1.00 0.00 C ATOM 676 O PRO A 47 -12.754 10.852 2.842 1.00 0.00 O ATOM 677 CB PRO A 47 -12.713 9.485 -0.176 1.00 0.00 C ATOM 678 CG PRO A 47 -11.436 8.882 -0.652 1.00 0.00 C ATOM 679 CD PRO A 47 -10.525 10.032 -1.004 1.00 0.00 C ATOM 0 HA PRO A 47 -13.064 11.563 0.493 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -13.223 8.830 0.530 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -13.402 9.661 -1.002 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -10.990 8.257 0.121 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -11.608 8.244 -1.519 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -9.503 9.848 -0.673 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -10.486 10.196 -2.081 1.00 0.00 H new ATOM 687 N HIS A 48 -10.749 10.052 2.205 1.00 0.00 N ATOM 688 CA HIS A 48 -10.298 9.785 3.569 1.00 0.00 C ATOM 689 C HIS A 48 -8.773 9.730 3.637 1.00 0.00 C ATOM 690 O HIS A 48 -8.124 9.141 2.774 1.00 0.00 O ATOM 691 CB HIS A 48 -10.890 8.468 4.090 1.00 0.00 C ATOM 692 CG HIS A 48 -11.289 7.506 3.010 1.00 0.00 C ATOM 693 ND1 HIS A 48 -12.470 7.333 2.371 1.00 0.00 N flip ATOM 694 CD2 HIS A 48 -10.424 6.575 2.473 1.00 0.00 C flip ATOM 695 CE1 HIS A 48 -12.299 6.311 1.469 1.00 0.00 C flip ATOM 696 NE2 HIS A 48 -11.058 5.872 1.547 1.00 0.00 N flip ATOM 0 H HIS A 48 -10.071 9.811 1.482 1.00 0.00 H new ATOM 0 HA HIS A 48 -10.647 10.602 4.200 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -10.160 7.986 4.740 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -11.763 8.692 4.703 1.00 0.00 H new ATOM 0 HD1 HIS A 48 -13.327 7.863 2.530 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -9.392 6.441 2.762 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -13.059 5.929 0.803 1.00 0.00 H new ATOM 705 N TRP A 49 -8.209 10.351 4.670 1.00 0.00 N ATOM 706 CA TRP A 49 -6.760 10.373 4.852 1.00 0.00 C ATOM 707 C TRP A 49 -6.202 8.956 4.938 1.00 0.00 C ATOM 708 O TRP A 49 -6.953 7.981 4.895 1.00 0.00 O ATOM 709 CB TRP A 49 -6.395 11.158 6.114 1.00 0.00 C ATOM 710 CG TRP A 49 -6.371 12.641 5.904 1.00 0.00 C ATOM 711 CD1 TRP A 49 -7.444 13.483 5.877 1.00 0.00 C ATOM 712 CD2 TRP A 49 -5.215 13.459 5.686 1.00 0.00 C ATOM 713 NE1 TRP A 49 -7.029 14.773 5.660 1.00 0.00 N ATOM 714 CE2 TRP A 49 -5.664 14.784 5.539 1.00 0.00 C ATOM 715 CE3 TRP A 49 -3.843 13.200 5.604 1.00 0.00 C ATOM 716 CZ2 TRP A 49 -4.794 15.845 5.315 1.00 0.00 C ATOM 717 CZ3 TRP A 49 -2.979 14.257 5.381 1.00 0.00 C ATOM 718 CH2 TRP A 49 -3.457 15.565 5.238 1.00 0.00 C ATOM 0 H TRP A 49 -8.732 10.845 5.393 1.00 0.00 H new ATOM 0 HA TRP A 49 -6.317 10.866 3.987 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -7.111 10.921 6.901 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -5.416 10.832 6.466 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -8.472 13.178 6.008 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -7.637 15.590 5.599 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -3.465 12.194 5.713 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -5.161 16.855 5.206 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -1.917 14.070 5.316 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -2.757 16.369 5.064 1.00 0.00 H new ATOM 729 N HIS A 50 -4.882 8.847 5.055 1.00 0.00 N ATOM 730 CA HIS A 50 -4.230 7.545 5.141 1.00 0.00 C ATOM 731 C HIS A 50 -3.106 7.556 6.171 1.00 0.00 C ATOM 732 O HIS A 50 -3.216 6.943 7.233 1.00 0.00 O ATOM 733 CB HIS A 50 -3.678 7.133 3.774 1.00 0.00 C ATOM 734 CG HIS A 50 -4.645 7.345 2.652 1.00 0.00 C ATOM 735 ND1 HIS A 50 -5.114 6.318 1.861 1.00 0.00 N ATOM 736 CD2 HIS A 50 -5.234 8.472 2.192 1.00 0.00 C ATOM 737 CE1 HIS A 50 -5.949 6.807 0.963 1.00 0.00 C ATOM 738 NE2 HIS A 50 -6.041 8.111 1.143 1.00 0.00 N ATOM 0 H HIS A 50 -4.245 9.642 5.092 1.00 0.00 H new ATOM 0 HA HIS A 50 -4.979 6.819 5.459 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -2.769 7.700 3.572 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -3.397 6.080 3.807 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -5.095 9.471 2.579 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -6.469 6.236 0.208 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -6.618 8.747 0.592 1.00 0.00 H new ATOM 747 N ARG A 51 -2.021 8.254 5.852 1.00 0.00 N ATOM 748 CA ARG A 51 -0.877 8.338 6.752 1.00 0.00 C ATOM 749 C ARG A 51 0.189 9.275 6.197 1.00 0.00 C ATOM 750 O ARG A 51 -0.046 9.987 5.221 1.00 0.00 O ATOM 751 CB ARG A 51 -0.283 6.945 6.980 1.00 0.00 C ATOM 752 CG ARG A 51 0.326 6.330 5.727 1.00 0.00 C ATOM 753 CD ARG A 51 1.733 5.815 5.986 1.00 0.00 C ATOM 754 NE ARG A 51 1.814 5.030 7.214 1.00 0.00 N ATOM 755 CZ ARG A 51 2.958 4.688 7.803 1.00 0.00 C ATOM 756 NH1 ARG A 51 4.119 5.060 7.277 1.00 0.00 N ATOM 757 NH2 ARG A 51 2.941 3.972 8.920 1.00 0.00 N ATOM 0 H ARG A 51 -1.910 8.769 4.978 1.00 0.00 H new ATOM 0 HA ARG A 51 -1.223 8.741 7.704 1.00 0.00 H new ATOM 0 HB2 ARG A 51 0.483 7.008 7.753 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -1.063 6.284 7.357 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -0.304 5.511 5.379 1.00 0.00 H new ATOM 0 HG3 ARG A 51 0.351 7.074 4.930 1.00 0.00 H new ATOM 0 HD2 ARG A 51 2.055 5.203 5.143 1.00 0.00 H new ATOM 0 HD3 ARG A 51 2.421 6.658 6.049 1.00 0.00 H new ATOM 0 HE ARG A 51 0.942 4.725 7.647 1.00 0.00 H new ATOM 0 HH11 ARG A 51 4.137 5.610 6.418 1.00 0.00 H new ATOM 0 HH12 ARG A 51 4.993 4.796 7.732 1.00 0.00 H new ATOM 0 HH21 ARG A 51 2.051 3.684 9.327 1.00 0.00 H new ATOM 0 HH22 ARG A 51 3.817 3.710 9.371 1.00 0.00 H new ATOM 771 N ARG A 52 1.362 9.270 6.825 1.00 0.00 N ATOM 772 CA ARG A 52 2.467 10.119 6.393 1.00 0.00 C ATOM 773 C ARG A 52 2.741 9.936 4.904 1.00 0.00 C ATOM 774 O ARG A 52 3.487 9.042 4.504 1.00 0.00 O ATOM 775 CB ARG A 52 3.728 9.801 7.200 1.00 0.00 C ATOM 776 CG ARG A 52 3.928 10.713 8.401 1.00 0.00 C ATOM 777 CD ARG A 52 3.309 10.124 9.657 1.00 0.00 C ATOM 778 NE ARG A 52 4.009 10.555 10.865 1.00 0.00 N ATOM 779 CZ ARG A 52 3.979 11.799 11.335 1.00 0.00 C ATOM 780 NH1 ARG A 52 3.284 12.738 10.705 1.00 0.00 N ATOM 781 NH2 ARG A 52 4.645 12.106 12.440 1.00 0.00 N ATOM 0 H ARG A 52 1.571 8.687 7.635 1.00 0.00 H new ATOM 0 HA ARG A 52 2.186 11.158 6.568 1.00 0.00 H new ATOM 0 HB2 ARG A 52 3.679 8.768 7.543 1.00 0.00 H new ATOM 0 HB3 ARG A 52 4.597 9.879 6.546 1.00 0.00 H new ATOM 0 HG2 ARG A 52 4.994 10.876 8.562 1.00 0.00 H new ATOM 0 HG3 ARG A 52 3.483 11.687 8.197 1.00 0.00 H new ATOM 0 HD2 ARG A 52 2.262 10.421 9.719 1.00 0.00 H new ATOM 0 HD3 ARG A 52 3.329 9.036 9.595 1.00 0.00 H new ATOM 0 HE ARG A 52 4.553 9.861 11.378 1.00 0.00 H new ATOM 0 HH11 ARG A 52 2.769 12.508 9.855 1.00 0.00 H new ATOM 0 HH12 ARG A 52 3.265 13.690 11.071 1.00 0.00 H new ATOM 0 HH21 ARG A 52 5.180 11.388 12.929 1.00 0.00 H new ATOM 0 HH22 ARG A 52 4.622 13.060 12.801 1.00 0.00 H new ATOM 795 N ILE A 53 2.123 10.783 4.090 1.00 0.00 N ATOM 796 CA ILE A 53 2.289 10.713 2.644 1.00 0.00 C ATOM 797 C ILE A 53 3.749 10.819 2.235 1.00 0.00 C ATOM 798 O ILE A 53 4.597 11.238 3.022 1.00 0.00 O ATOM 799 CB ILE A 53 1.487 11.815 1.930 1.00 0.00 C ATOM 800 CG1 ILE A 53 1.806 13.184 2.529 1.00 0.00 C ATOM 801 CG2 ILE A 53 0.002 11.516 2.020 1.00 0.00 C ATOM 802 CD1 ILE A 53 1.490 14.336 1.604 1.00 0.00 C ATOM 0 H ILE A 53 1.502 11.527 4.407 1.00 0.00 H new ATOM 0 HA ILE A 53 1.908 9.738 2.341 1.00 0.00 H new ATOM 0 HB ILE A 53 1.773 11.835 0.878 1.00 0.00 H new ATOM 0 HG12 ILE A 53 1.243 13.307 3.454 1.00 0.00 H new ATOM 0 HG13 ILE A 53 2.863 13.219 2.792 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -0.559 12.301 1.512 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -0.205 10.557 1.546 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -0.298 11.475 3.067 1.00 0.00 H new ATOM 0 HD11 ILE A 53 1.742 15.276 2.095 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.073 14.238 0.688 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.427 14.327 1.361 1.00 0.00 H new ATOM 814 N PRO A 54 4.053 10.422 0.987 1.00 0.00 N ATOM 815 CA PRO A 54 5.415 10.447 0.422 1.00 0.00 C ATOM 816 C PRO A 54 6.067 11.831 0.452 1.00 0.00 C ATOM 817 O PRO A 54 6.410 12.386 -0.590 1.00 0.00 O ATOM 818 CB PRO A 54 5.194 10.001 -1.031 1.00 0.00 C ATOM 819 CG PRO A 54 3.750 10.251 -1.277 1.00 0.00 C ATOM 820 CD PRO A 54 3.089 9.895 0.009 1.00 0.00 C ATOM 0 HA PRO A 54 6.093 9.816 0.996 1.00 0.00 H new ATOM 0 HB2 PRO A 54 5.819 10.568 -1.721 1.00 0.00 H new ATOM 0 HB3 PRO A 54 5.444 8.949 -1.166 1.00 0.00 H new ATOM 0 HG2 PRO A 54 3.567 11.292 -1.543 1.00 0.00 H new ATOM 0 HG3 PRO A 54 3.375 9.641 -2.099 1.00 0.00 H new ATOM 0 HD2 PRO A 54 2.108 10.359 0.109 1.00 0.00 H new ATOM 0 HD3 PRO A 54 2.945 8.820 0.113 1.00 0.00 H new ATOM 828 N LEU A 55 6.252 12.373 1.648 1.00 0.00 N ATOM 829 CA LEU A 55 6.881 13.680 1.801 1.00 0.00 C ATOM 830 C LEU A 55 7.690 13.753 3.092 1.00 0.00 C ATOM 831 O LEU A 55 8.756 14.368 3.133 1.00 0.00 O ATOM 832 CB LEU A 55 5.831 14.792 1.783 1.00 0.00 C ATOM 833 CG LEU A 55 4.939 14.832 0.541 1.00 0.00 C ATOM 834 CD1 LEU A 55 3.897 15.931 0.674 1.00 0.00 C ATOM 835 CD2 LEU A 55 5.773 15.039 -0.714 1.00 0.00 C ATOM 0 H LEU A 55 5.977 11.930 2.525 1.00 0.00 H new ATOM 0 HA LEU A 55 7.559 13.820 0.959 1.00 0.00 H new ATOM 0 HB2 LEU A 55 5.196 14.683 2.662 1.00 0.00 H new ATOM 0 HB3 LEU A 55 6.341 15.751 1.875 1.00 0.00 H new ATOM 0 HG LEU A 55 4.426 13.874 0.456 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.270 15.947 -0.217 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.277 15.741 1.550 1.00 0.00 H new ATOM 0 HD13 LEU A 55 4.396 16.894 0.784 1.00 0.00 H new ATOM 0 HD21 LEU A 55 5.119 15.064 -1.586 1.00 0.00 H new ATOM 0 HD22 LEU A 55 6.315 15.982 -0.639 1.00 0.00 H new ATOM 0 HD23 LEU A 55 6.484 14.219 -0.818 1.00 0.00 H new ATOM 847 N TYR A 56 7.178 13.124 4.143 1.00 0.00 N ATOM 848 CA TYR A 56 7.852 13.119 5.435 1.00 0.00 C ATOM 849 C TYR A 56 8.760 11.901 5.565 1.00 0.00 C ATOM 850 O TYR A 56 9.858 11.993 6.114 1.00 0.00 O ATOM 851 CB TYR A 56 6.830 13.134 6.578 1.00 0.00 C ATOM 852 CG TYR A 56 5.506 13.757 6.203 1.00 0.00 C ATOM 853 CD1 TYR A 56 4.515 13.000 5.596 1.00 0.00 C ATOM 854 CD2 TYR A 56 5.249 15.100 6.449 1.00 0.00 C ATOM 855 CE1 TYR A 56 3.307 13.560 5.243 1.00 0.00 C ATOM 856 CE2 TYR A 56 4.039 15.669 6.100 1.00 0.00 C ATOM 857 CZ TYR A 56 3.071 14.895 5.497 1.00 0.00 C ATOM 858 OH TYR A 56 1.866 15.456 5.146 1.00 0.00 O ATOM 0 H TYR A 56 6.297 12.610 4.125 1.00 0.00 H new ATOM 0 HA TYR A 56 8.463 14.019 5.499 1.00 0.00 H new ATOM 0 HB2 TYR A 56 6.658 12.111 6.913 1.00 0.00 H new ATOM 0 HB3 TYR A 56 7.251 13.679 7.423 1.00 0.00 H new ATOM 0 HD1 TYR A 56 4.693 11.954 5.397 1.00 0.00 H new ATOM 0 HD2 TYR A 56 6.007 15.709 6.920 1.00 0.00 H new ATOM 0 HE1 TYR A 56 2.547 12.956 4.769 1.00 0.00 H new ATOM 0 HE2 TYR A 56 3.853 16.714 6.299 1.00 0.00 H new ATOM 0 HH TYR A 56 1.862 16.404 5.395 1.00 0.00 H new ATOM 868 N TYR A 57 8.299 10.762 5.056 1.00 0.00 N ATOM 869 CA TYR A 57 9.085 9.534 5.119 1.00 0.00 C ATOM 870 C TYR A 57 9.969 9.400 3.882 1.00 0.00 C ATOM 871 O TYR A 57 9.651 9.939 2.821 1.00 0.00 O ATOM 872 CB TYR A 57 8.169 8.312 5.244 1.00 0.00 C ATOM 873 CG TYR A 57 7.408 7.986 3.980 1.00 0.00 C ATOM 874 CD1 TYR A 57 7.989 7.224 2.975 1.00 0.00 C ATOM 875 CD2 TYR A 57 6.111 8.438 3.795 1.00 0.00 C ATOM 876 CE1 TYR A 57 7.296 6.924 1.817 1.00 0.00 C ATOM 877 CE2 TYR A 57 5.411 8.142 2.641 1.00 0.00 C ATOM 878 CZ TYR A 57 6.008 7.385 1.656 1.00 0.00 C ATOM 879 OH TYR A 57 5.315 7.090 0.505 1.00 0.00 O ATOM 0 H TYR A 57 7.393 10.664 4.599 1.00 0.00 H new ATOM 0 HA TYR A 57 9.722 9.584 6.002 1.00 0.00 H new ATOM 0 HB2 TYR A 57 8.769 7.448 5.528 1.00 0.00 H new ATOM 0 HB3 TYR A 57 7.457 8.485 6.051 1.00 0.00 H new ATOM 0 HD1 TYR A 57 8.998 6.860 3.100 1.00 0.00 H new ATOM 0 HD2 TYR A 57 5.640 9.031 4.565 1.00 0.00 H new ATOM 0 HE1 TYR A 57 7.762 6.332 1.043 1.00 0.00 H new ATOM 0 HE2 TYR A 57 4.401 8.502 2.511 1.00 0.00 H new ATOM 0 HH TYR A 57 5.938 7.046 -0.250 1.00 0.00 H new ATOM 889 N PRO A 58 11.092 8.670 3.996 1.00 0.00 N ATOM 890 CA PRO A 58 12.012 8.465 2.874 1.00 0.00 C ATOM 891 C PRO A 58 11.289 7.933 1.643 1.00 0.00 C ATOM 892 O PRO A 58 10.755 6.823 1.658 1.00 0.00 O ATOM 893 CB PRO A 58 13.018 7.429 3.402 1.00 0.00 C ATOM 894 CG PRO A 58 12.416 6.889 4.658 1.00 0.00 C ATOM 895 CD PRO A 58 11.550 7.984 5.209 1.00 0.00 C ATOM 0 HA PRO A 58 12.484 9.395 2.557 1.00 0.00 H new ATOM 0 HB2 PRO A 58 13.182 6.635 2.673 1.00 0.00 H new ATOM 0 HB3 PRO A 58 13.987 7.888 3.598 1.00 0.00 H new ATOM 0 HG2 PRO A 58 11.829 5.993 4.455 1.00 0.00 H new ATOM 0 HG3 PRO A 58 13.190 6.608 5.372 1.00 0.00 H new ATOM 0 HD2 PRO A 58 10.717 7.588 5.790 1.00 0.00 H new ATOM 0 HD3 PRO A 58 12.109 8.651 5.866 1.00 0.00 H new ATOM 903 N ASN A 59 11.267 8.736 0.581 1.00 0.00 N ATOM 904 CA ASN A 59 10.599 8.355 -0.662 1.00 0.00 C ATOM 905 C ASN A 59 10.947 6.921 -1.059 1.00 0.00 C ATOM 906 O ASN A 59 11.964 6.674 -1.708 1.00 0.00 O ATOM 907 CB ASN A 59 10.981 9.320 -1.785 1.00 0.00 C ATOM 908 CG ASN A 59 10.047 10.512 -1.866 1.00 0.00 C ATOM 909 OD1 ASN A 59 9.669 11.048 -0.710 1.00 0.00 O flip ATOM 910 ND2 ASN A 59 9.669 10.946 -2.955 1.00 0.00 N flip ATOM 0 H ASN A 59 11.705 9.657 0.557 1.00 0.00 H new ATOM 0 HA ASN A 59 9.523 8.409 -0.496 1.00 0.00 H new ATOM 0 HB2 ASN A 59 12.001 9.671 -1.627 1.00 0.00 H new ATOM 0 HB3 ASN A 59 10.970 8.788 -2.736 1.00 0.00 H new ATOM 0 HD21 ASN A 59 9.985 10.503 -3.818 1.00 0.00 H new ATOM 0 HD22 ASN A 59 9.040 11.748 -2.994 1.00 0.00 H new ATOM 917 N ALA A 60 10.093 5.984 -0.662 1.00 0.00 N ATOM 918 CA ALA A 60 10.301 4.575 -0.969 1.00 0.00 C ATOM 919 C ALA A 60 9.832 4.246 -2.381 1.00 0.00 C ATOM 920 O ALA A 60 10.644 3.981 -3.268 1.00 0.00 O ATOM 921 CB ALA A 60 9.577 3.705 0.050 1.00 0.00 C ATOM 0 H ALA A 60 9.247 6.177 -0.125 1.00 0.00 H new ATOM 0 HA ALA A 60 11.370 4.367 -0.915 1.00 0.00 H new ATOM 0 HB1 ALA A 60 9.739 2.654 -0.189 1.00 0.00 H new ATOM 0 HB2 ALA A 60 9.964 3.914 1.047 1.00 0.00 H new ATOM 0 HB3 ALA A 60 8.509 3.923 0.022 1.00 0.00 H new ATOM 927 N GLY A 61 8.519 4.266 -2.586 1.00 0.00 N ATOM 928 CA GLY A 61 7.971 3.970 -3.896 1.00 0.00 C ATOM 929 C GLY A 61 6.601 3.323 -3.827 1.00 0.00 C ATOM 930 O GLY A 61 6.352 2.315 -4.488 1.00 0.00 O ATOM 0 H GLY A 61 7.826 4.482 -1.869 1.00 0.00 H new ATOM 0 HA2 GLY A 61 7.904 4.892 -4.474 1.00 0.00 H new ATOM 0 HA3 GLY A 61 8.654 3.309 -4.430 1.00 0.00 H new ATOM 934 N LEU A 62 5.710 3.904 -3.030 1.00 0.00 N ATOM 935 CA LEU A 62 4.359 3.374 -2.888 1.00 0.00 C ATOM 936 C LEU A 62 3.638 3.373 -4.233 1.00 0.00 C ATOM 937 O LEU A 62 3.539 4.406 -4.895 1.00 0.00 O ATOM 938 CB LEU A 62 3.564 4.194 -1.869 1.00 0.00 C ATOM 939 CG LEU A 62 4.315 4.546 -0.580 1.00 0.00 C ATOM 940 CD1 LEU A 62 3.375 5.190 0.426 1.00 0.00 C ATOM 941 CD2 LEU A 62 4.967 3.308 0.017 1.00 0.00 C ATOM 0 H LEU A 62 5.898 4.739 -2.475 1.00 0.00 H new ATOM 0 HA LEU A 62 4.434 2.347 -2.530 1.00 0.00 H new ATOM 0 HB2 LEU A 62 3.241 5.119 -2.345 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.663 3.640 -1.605 1.00 0.00 H new ATOM 0 HG LEU A 62 5.100 5.261 -0.826 1.00 0.00 H new ATOM 0 HD11 LEU A 62 3.926 5.433 1.335 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.956 6.102 0.001 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.568 4.497 0.665 1.00 0.00 H new ATOM 0 HD21 LEU A 62 5.495 3.580 0.931 1.00 0.00 H new ATOM 0 HD22 LEU A 62 4.200 2.568 0.247 1.00 0.00 H new ATOM 0 HD23 LEU A 62 5.674 2.888 -0.699 1.00 0.00 H new ATOM 953 N THR A 63 3.144 2.206 -4.634 1.00 0.00 N ATOM 954 CA THR A 63 2.441 2.073 -5.905 1.00 0.00 C ATOM 955 C THR A 63 0.998 2.562 -5.787 1.00 0.00 C ATOM 956 O THR A 63 0.056 1.770 -5.817 1.00 0.00 O ATOM 957 CB THR A 63 2.469 0.616 -6.379 1.00 0.00 C ATOM 958 OG1 THR A 63 2.857 -0.249 -5.326 1.00 0.00 O ATOM 959 CG2 THR A 63 3.420 0.385 -7.534 1.00 0.00 C ATOM 0 H THR A 63 3.217 1.341 -4.099 1.00 0.00 H new ATOM 0 HA THR A 63 2.952 2.694 -6.641 1.00 0.00 H new ATOM 0 HB THR A 63 1.454 0.400 -6.712 1.00 0.00 H new ATOM 0 HG1 THR A 63 2.867 -1.174 -5.649 1.00 0.00 H new ATOM 0 HG21 THR A 63 3.394 -0.666 -7.823 1.00 0.00 H new ATOM 0 HG22 THR A 63 3.120 1.002 -8.381 1.00 0.00 H new ATOM 0 HG23 THR A 63 4.432 0.653 -7.231 1.00 0.00 H new ATOM 967 N ARG A 64 0.836 3.876 -5.656 1.00 0.00 N ATOM 968 CA ARG A 64 -0.485 4.483 -5.538 1.00 0.00 C ATOM 969 C ARG A 64 -1.310 3.807 -4.437 1.00 0.00 C ATOM 970 O ARG A 64 -1.047 4.007 -3.251 1.00 0.00 O ATOM 971 CB ARG A 64 -1.214 4.424 -6.885 1.00 0.00 C ATOM 972 CG ARG A 64 -0.578 5.292 -7.960 1.00 0.00 C ATOM 973 CD ARG A 64 0.517 4.545 -8.704 1.00 0.00 C ATOM 974 NE ARG A 64 1.408 5.454 -9.421 1.00 0.00 N ATOM 975 CZ ARG A 64 2.346 5.051 -10.275 1.00 0.00 C ATOM 976 NH1 ARG A 64 2.517 3.758 -10.524 1.00 0.00 N ATOM 977 NH2 ARG A 64 3.115 5.945 -10.883 1.00 0.00 N ATOM 0 H ARG A 64 1.607 4.543 -5.629 1.00 0.00 H new ATOM 0 HA ARG A 64 -0.359 5.528 -5.256 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -1.238 3.391 -7.231 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -2.249 4.736 -6.743 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -1.342 5.617 -8.666 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -0.162 6.191 -7.504 1.00 0.00 H new ATOM 0 HD2 ARG A 64 1.097 3.952 -7.997 1.00 0.00 H new ATOM 0 HD3 ARG A 64 0.065 3.848 -9.410 1.00 0.00 H new ATOM 0 HE ARG A 64 1.305 6.456 -9.258 1.00 0.00 H new ATOM 0 HH11 ARG A 64 1.928 3.067 -10.060 1.00 0.00 H new ATOM 0 HH12 ARG A 64 3.238 3.456 -11.180 1.00 0.00 H new ATOM 0 HH21 ARG A 64 2.987 6.939 -10.696 1.00 0.00 H new ATOM 0 HH22 ARG A 64 3.834 5.638 -11.538 1.00 0.00 H new ATOM 991 N ASN A 65 -2.305 3.006 -4.828 1.00 0.00 N ATOM 992 CA ASN A 65 -3.154 2.313 -3.866 1.00 0.00 C ATOM 993 C ASN A 65 -2.977 0.806 -3.974 1.00 0.00 C ATOM 994 O ASN A 65 -3.943 0.047 -3.892 1.00 0.00 O ATOM 995 CB ASN A 65 -4.623 2.686 -4.088 1.00 0.00 C ATOM 996 CG ASN A 65 -5.145 2.205 -5.429 1.00 0.00 C ATOM 997 OD1 ASN A 65 -4.979 2.875 -6.450 1.00 0.00 O ATOM 998 ND2 ASN A 65 -5.781 1.040 -5.433 1.00 0.00 N ATOM 0 H ASN A 65 -2.539 2.824 -5.804 1.00 0.00 H new ATOM 0 HA ASN A 65 -2.856 2.624 -2.865 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -5.229 2.257 -3.290 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -4.734 3.769 -4.025 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -6.155 0.666 -6.305 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -5.896 0.519 -4.564 1.00 0.00 H new ATOM 1005 N TYR A 66 -1.737 0.379 -4.165 1.00 0.00 N ATOM 1006 CA TYR A 66 -1.432 -1.037 -4.291 1.00 0.00 C ATOM 1007 C TYR A 66 -1.123 -1.657 -2.935 1.00 0.00 C ATOM 1008 O TYR A 66 0.013 -1.598 -2.469 1.00 0.00 O ATOM 1009 CB TYR A 66 -0.251 -1.242 -5.241 1.00 0.00 C ATOM 1010 CG TYR A 66 -0.657 -1.471 -6.681 1.00 0.00 C ATOM 1011 CD1 TYR A 66 -1.832 -0.926 -7.187 1.00 0.00 C ATOM 1012 CD2 TYR A 66 0.132 -2.232 -7.531 1.00 0.00 C ATOM 1013 CE1 TYR A 66 -2.204 -1.134 -8.501 1.00 0.00 C ATOM 1014 CE2 TYR A 66 -0.234 -2.443 -8.847 1.00 0.00 C ATOM 1015 CZ TYR A 66 -1.403 -1.892 -9.327 1.00 0.00 C ATOM 1016 OH TYR A 66 -1.771 -2.101 -10.636 1.00 0.00 O ATOM 0 H TYR A 66 -0.926 0.994 -4.236 1.00 0.00 H new ATOM 0 HA TYR A 66 -2.311 -1.534 -4.700 1.00 0.00 H new ATOM 0 HB2 TYR A 66 0.399 -0.368 -5.191 1.00 0.00 H new ATOM 0 HB3 TYR A 66 0.335 -2.095 -4.899 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -2.463 -0.331 -6.543 1.00 0.00 H new ATOM 0 HD2 TYR A 66 1.048 -2.667 -7.158 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -3.120 -0.704 -8.880 1.00 0.00 H new ATOM 0 HE2 TYR A 66 0.393 -3.037 -9.496 1.00 0.00 H new ATOM 0 HH TYR A 66 -1.096 -2.655 -11.081 1.00 0.00 H new ATOM 1026 N CYS A 67 -2.151 -2.249 -2.315 1.00 0.00 N ATOM 1027 CA CYS A 67 -2.026 -2.906 -1.003 1.00 0.00 C ATOM 1028 C CYS A 67 -0.568 -3.157 -0.615 1.00 0.00 C ATOM 1029 O CYS A 67 0.201 -3.730 -1.386 1.00 0.00 O ATOM 1030 CB CYS A 67 -2.789 -4.234 -1.015 1.00 0.00 C ATOM 1031 SG CYS A 67 -2.542 -5.255 0.475 1.00 0.00 S ATOM 0 H CYS A 67 -3.092 -2.287 -2.706 1.00 0.00 H new ATOM 0 HA CYS A 67 -2.452 -2.232 -0.260 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -3.853 -4.027 -1.127 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -2.482 -4.808 -1.889 1.00 0.00 H new ATOM 1036 N ARG A 68 -0.198 -2.726 0.587 1.00 0.00 N ATOM 1037 CA ARG A 68 1.169 -2.903 1.069 1.00 0.00 C ATOM 1038 C ARG A 68 1.331 -2.354 2.483 1.00 0.00 C ATOM 1039 O ARG A 68 0.392 -1.811 3.063 1.00 0.00 O ATOM 1040 CB ARG A 68 2.151 -2.205 0.128 1.00 0.00 C ATOM 1041 CG ARG A 68 1.727 -0.794 -0.246 1.00 0.00 C ATOM 1042 CD ARG A 68 2.518 -0.270 -1.434 1.00 0.00 C ATOM 1043 NE ARG A 68 3.841 0.205 -1.039 1.00 0.00 N ATOM 1044 CZ ARG A 68 4.925 -0.568 -0.982 1.00 0.00 C ATOM 1045 NH1 ARG A 68 4.850 -1.856 -1.289 1.00 0.00 N ATOM 1046 NH2 ARG A 68 6.088 -0.048 -0.612 1.00 0.00 N ATOM 0 H ARG A 68 -0.821 -2.254 1.242 1.00 0.00 H new ATOM 0 HA ARG A 68 1.383 -3.972 1.090 1.00 0.00 H new ATOM 0 HB2 ARG A 68 3.133 -2.169 0.601 1.00 0.00 H new ATOM 0 HB3 ARG A 68 2.256 -2.798 -0.781 1.00 0.00 H new ATOM 0 HG2 ARG A 68 0.663 -0.784 -0.483 1.00 0.00 H new ATOM 0 HG3 ARG A 68 1.870 -0.132 0.608 1.00 0.00 H new ATOM 0 HD2 ARG A 68 2.623 -1.060 -2.178 1.00 0.00 H new ATOM 0 HD3 ARG A 68 1.967 0.542 -1.908 1.00 0.00 H new ATOM 0 HE ARG A 68 3.942 1.189 -0.791 1.00 0.00 H new ATOM 0 HH11 ARG A 68 3.958 -2.262 -1.571 1.00 0.00 H new ATOM 0 HH12 ARG A 68 5.684 -2.441 -1.243 1.00 0.00 H new ATOM 0 HH21 ARG A 68 6.151 0.941 -0.372 1.00 0.00 H new ATOM 0 HH22 ARG A 68 6.919 -0.638 -0.568 1.00 0.00 H new ATOM 1060 N ASN A 69 2.536 -2.498 3.028 1.00 0.00 N ATOM 1061 CA ASN A 69 2.834 -2.013 4.370 1.00 0.00 C ATOM 1062 C ASN A 69 4.138 -1.217 4.376 1.00 0.00 C ATOM 1063 O ASN A 69 5.100 -1.585 3.701 1.00 0.00 O ATOM 1064 CB ASN A 69 2.928 -3.182 5.355 1.00 0.00 C ATOM 1065 CG ASN A 69 3.795 -4.313 4.838 1.00 0.00 C ATOM 1066 OD1 ASN A 69 4.314 -4.254 3.723 1.00 0.00 O ATOM 1067 ND2 ASN A 69 3.955 -5.353 5.648 1.00 0.00 N ATOM 0 H ASN A 69 3.322 -2.948 2.559 1.00 0.00 H new ATOM 0 HA ASN A 69 2.022 -1.356 4.683 1.00 0.00 H new ATOM 0 HB2 ASN A 69 3.332 -2.823 6.301 1.00 0.00 H new ATOM 0 HB3 ASN A 69 1.927 -3.561 5.559 1.00 0.00 H new ATOM 0 HD21 ASN A 69 4.527 -6.145 5.354 1.00 0.00 H new ATOM 0 HD22 ASN A 69 3.506 -5.360 6.564 1.00 0.00 H new ATOM 1074 N PRO A 70 4.189 -0.108 5.135 1.00 0.00 N ATOM 1075 CA PRO A 70 5.386 0.738 5.217 1.00 0.00 C ATOM 1076 C PRO A 70 6.560 0.025 5.880 1.00 0.00 C ATOM 1077 O PRO A 70 7.702 0.152 5.439 1.00 0.00 O ATOM 1078 CB PRO A 70 4.930 1.926 6.069 1.00 0.00 C ATOM 1079 CG PRO A 70 3.773 1.415 6.854 1.00 0.00 C ATOM 1080 CD PRO A 70 3.089 0.409 5.970 1.00 0.00 C ATOM 0 HA PRO A 70 5.749 1.021 4.229 1.00 0.00 H new ATOM 0 HB2 PRO A 70 5.730 2.272 6.724 1.00 0.00 H new ATOM 0 HB3 PRO A 70 4.641 2.772 5.445 1.00 0.00 H new ATOM 0 HG2 PRO A 70 4.105 0.955 7.785 1.00 0.00 H new ATOM 0 HG3 PRO A 70 3.095 2.225 7.122 1.00 0.00 H new ATOM 0 HD2 PRO A 70 2.618 -0.384 6.551 1.00 0.00 H new ATOM 0 HD3 PRO A 70 2.307 0.869 5.366 1.00 0.00 H new ATOM 1088 N ASP A 71 6.275 -0.720 6.942 1.00 0.00 N ATOM 1089 CA ASP A 71 7.315 -1.448 7.662 1.00 0.00 C ATOM 1090 C ASP A 71 7.266 -2.944 7.332 1.00 0.00 C ATOM 1091 O ASP A 71 7.661 -3.353 6.240 1.00 0.00 O ATOM 1092 CB ASP A 71 7.178 -1.213 9.170 1.00 0.00 C ATOM 1093 CG ASP A 71 7.472 0.223 9.561 1.00 0.00 C ATOM 1094 OD1 ASP A 71 6.658 1.108 9.226 1.00 0.00 O ATOM 1095 OD2 ASP A 71 8.518 0.461 10.201 1.00 0.00 O ATOM 0 H ASP A 71 5.336 -0.836 7.323 1.00 0.00 H new ATOM 0 HA ASP A 71 8.286 -1.071 7.341 1.00 0.00 H new ATOM 0 HB2 ASP A 71 6.167 -1.473 9.485 1.00 0.00 H new ATOM 0 HB3 ASP A 71 7.858 -1.878 9.702 1.00 0.00 H new ATOM 1100 N ALA A 72 6.785 -3.761 8.271 1.00 0.00 N ATOM 1101 CA ALA A 72 6.700 -5.200 8.053 1.00 0.00 C ATOM 1102 C ALA A 72 5.715 -5.847 9.021 1.00 0.00 C ATOM 1103 O ALA A 72 5.520 -5.366 10.137 1.00 0.00 O ATOM 1104 CB ALA A 72 8.074 -5.834 8.198 1.00 0.00 C ATOM 0 H ALA A 72 6.451 -3.450 9.183 1.00 0.00 H new ATOM 0 HA ALA A 72 6.336 -5.368 7.040 1.00 0.00 H new ATOM 0 HB1 ALA A 72 7.998 -6.909 8.033 1.00 0.00 H new ATOM 0 HB2 ALA A 72 8.754 -5.401 7.464 1.00 0.00 H new ATOM 0 HB3 ALA A 72 8.457 -5.647 9.201 1.00 0.00 H new ATOM 1110 N GLU A 73 5.099 -6.942 8.585 1.00 0.00 N ATOM 1111 CA GLU A 73 4.134 -7.662 9.411 1.00 0.00 C ATOM 1112 C GLU A 73 3.551 -8.849 8.653 1.00 0.00 C ATOM 1113 O GLU A 73 3.658 -8.927 7.428 1.00 0.00 O ATOM 1114 CB GLU A 73 3.007 -6.726 9.857 1.00 0.00 C ATOM 1115 CG GLU A 73 2.557 -6.958 11.290 1.00 0.00 C ATOM 1116 CD GLU A 73 2.142 -5.677 11.987 1.00 0.00 C ATOM 1117 OE1 GLU A 73 0.952 -5.313 11.901 1.00 0.00 O ATOM 1118 OE2 GLU A 73 3.011 -5.037 12.617 1.00 0.00 O ATOM 0 H GLU A 73 5.251 -7.351 7.663 1.00 0.00 H new ATOM 0 HA GLU A 73 4.656 -8.034 10.292 1.00 0.00 H new ATOM 0 HB2 GLU A 73 3.340 -5.693 9.752 1.00 0.00 H new ATOM 0 HB3 GLU A 73 2.154 -6.855 9.191 1.00 0.00 H new ATOM 0 HG2 GLU A 73 1.721 -7.657 11.295 1.00 0.00 H new ATOM 0 HG3 GLU A 73 3.367 -7.426 11.850 1.00 0.00 H new ATOM 1125 N ILE A 74 2.932 -9.771 9.385 1.00 0.00 N ATOM 1126 CA ILE A 74 2.331 -10.953 8.776 1.00 0.00 C ATOM 1127 C ILE A 74 1.370 -10.562 7.660 1.00 0.00 C ATOM 1128 O ILE A 74 1.365 -11.171 6.588 1.00 0.00 O ATOM 1129 CB ILE A 74 1.571 -11.799 9.814 1.00 0.00 C ATOM 1130 CG1 ILE A 74 0.565 -10.932 10.578 1.00 0.00 C ATOM 1131 CG2 ILE A 74 2.552 -12.464 10.769 1.00 0.00 C ATOM 1132 CD1 ILE A 74 -0.163 -11.668 11.684 1.00 0.00 C ATOM 0 H ILE A 74 2.834 -9.722 10.399 1.00 0.00 H new ATOM 0 HA ILE A 74 3.148 -11.546 8.364 1.00 0.00 H new ATOM 0 HB ILE A 74 1.017 -12.580 9.294 1.00 0.00 H new ATOM 0 HG12 ILE A 74 1.088 -10.077 11.007 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -0.168 -10.537 9.874 1.00 0.00 H new ATOM 0 HG21 ILE A 74 2.003 -13.059 11.498 1.00 0.00 H new ATOM 0 HG22 ILE A 74 3.226 -13.110 10.207 1.00 0.00 H new ATOM 0 HG23 ILE A 74 3.131 -11.699 11.287 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -0.857 -10.988 12.178 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -0.716 -12.506 11.260 1.00 0.00 H new ATOM 0 HD13 ILE A 74 0.560 -12.040 12.410 1.00 0.00 H new ATOM 1144 N ARG A 75 0.558 -9.543 7.918 1.00 0.00 N ATOM 1145 CA ARG A 75 -0.406 -9.066 6.937 1.00 0.00 C ATOM 1146 C ARG A 75 -0.358 -7.541 6.840 1.00 0.00 C ATOM 1147 O ARG A 75 -0.420 -6.852 7.858 1.00 0.00 O ATOM 1148 CB ARG A 75 -1.814 -9.522 7.323 1.00 0.00 C ATOM 1149 CG ARG A 75 -2.541 -10.271 6.217 1.00 0.00 C ATOM 1150 CD ARG A 75 -3.871 -9.617 5.874 1.00 0.00 C ATOM 1151 NE ARG A 75 -4.990 -10.551 5.989 1.00 0.00 N ATOM 1152 CZ ARG A 75 -5.385 -11.103 7.134 1.00 0.00 C ATOM 1153 NH1 ARG A 75 -4.758 -10.818 8.269 1.00 0.00 N ATOM 1154 NH2 ARG A 75 -6.412 -11.941 7.145 1.00 0.00 N ATOM 0 H ARG A 75 0.549 -9.031 8.800 1.00 0.00 H new ATOM 0 HA ARG A 75 -0.150 -9.485 5.964 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -1.750 -10.163 8.202 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -2.403 -8.650 7.607 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -1.912 -10.306 5.327 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -2.712 -11.302 6.527 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -4.039 -8.768 6.537 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -3.830 -9.225 4.858 1.00 0.00 H new ATOM 0 HE ARG A 75 -5.499 -10.795 5.139 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -3.968 -10.172 8.267 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -5.066 -11.245 9.143 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -6.899 -12.162 6.276 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -6.715 -12.364 8.022 1.00 0.00 H new ATOM 1168 N PRO A 76 -0.245 -6.989 5.619 1.00 0.00 N ATOM 1169 CA PRO A 76 -0.190 -5.540 5.413 1.00 0.00 C ATOM 1170 C PRO A 76 -1.335 -4.817 6.116 1.00 0.00 C ATOM 1171 O PRO A 76 -2.165 -5.445 6.773 1.00 0.00 O ATOM 1172 CB PRO A 76 -0.297 -5.372 3.889 1.00 0.00 C ATOM 1173 CG PRO A 76 -0.668 -6.717 3.355 1.00 0.00 C ATOM 1174 CD PRO A 76 -0.163 -7.721 4.349 1.00 0.00 C ATOM 0 HA PRO A 76 0.721 -5.108 5.827 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -1.050 -4.627 3.630 1.00 0.00 H new ATOM 0 HB3 PRO A 76 0.648 -5.031 3.466 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -1.748 -6.802 3.232 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -0.221 -6.882 2.375 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -0.776 -8.622 4.361 1.00 0.00 H new ATOM 0 HD3 PRO A 76 0.858 -8.033 4.127 1.00 0.00 H new ATOM 1182 N TRP A 77 -1.375 -3.496 5.977 1.00 0.00 N ATOM 1183 CA TRP A 77 -2.422 -2.694 6.606 1.00 0.00 C ATOM 1184 C TRP A 77 -2.661 -1.405 5.836 1.00 0.00 C ATOM 1185 O TRP A 77 -1.903 -0.443 5.957 1.00 0.00 O ATOM 1186 CB TRP A 77 -2.076 -2.373 8.070 1.00 0.00 C ATOM 1187 CG TRP A 77 -0.672 -2.728 8.466 1.00 0.00 C ATOM 1188 CD1 TRP A 77 -0.183 -3.977 8.721 1.00 0.00 C ATOM 1189 CD2 TRP A 77 0.420 -1.823 8.664 1.00 0.00 C ATOM 1190 NE1 TRP A 77 1.146 -3.905 9.057 1.00 0.00 N ATOM 1191 CE2 TRP A 77 1.540 -2.593 9.030 1.00 0.00 C ATOM 1192 CE3 TRP A 77 0.562 -0.435 8.564 1.00 0.00 C ATOM 1193 CZ2 TRP A 77 2.782 -2.024 9.297 1.00 0.00 C ATOM 1194 CZ3 TRP A 77 1.795 0.129 8.828 1.00 0.00 C ATOM 1195 CH2 TRP A 77 2.891 -0.664 9.192 1.00 0.00 C ATOM 0 H TRP A 77 -0.698 -2.958 5.437 1.00 0.00 H new ATOM 0 HA TRP A 77 -3.337 -3.286 6.589 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -2.231 -1.308 8.242 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -2.770 -2.906 8.720 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -0.758 -4.889 8.666 1.00 0.00 H new ATOM 0 HE1 TRP A 77 1.743 -4.699 9.289 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -0.277 0.185 8.285 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 3.629 -2.634 9.577 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 1.916 1.200 8.753 1.00 0.00 H new ATOM 0 HH2 TRP A 77 3.841 -0.192 9.394 1.00 0.00 H new ATOM 1206 N CYS A 78 -3.726 -1.398 5.045 1.00 0.00 N ATOM 1207 CA CYS A 78 -4.079 -0.230 4.252 1.00 0.00 C ATOM 1208 C CYS A 78 -5.555 0.107 4.432 1.00 0.00 C ATOM 1209 O CYS A 78 -6.280 -0.587 5.145 1.00 0.00 O ATOM 1210 CB CYS A 78 -3.766 -0.460 2.768 1.00 0.00 C ATOM 1211 SG CYS A 78 -3.261 -2.160 2.345 1.00 0.00 S ATOM 0 H CYS A 78 -4.360 -2.189 4.936 1.00 0.00 H new ATOM 0 HA CYS A 78 -3.480 0.611 4.602 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -4.648 -0.202 2.181 1.00 0.00 H new ATOM 0 HB3 CYS A 78 -2.972 0.224 2.469 1.00 0.00 H new ATOM 1216 N TYR A 79 -5.991 1.180 3.787 1.00 0.00 N ATOM 1217 CA TYR A 79 -7.378 1.620 3.877 1.00 0.00 C ATOM 1218 C TYR A 79 -8.216 0.963 2.775 1.00 0.00 C ATOM 1219 O TYR A 79 -7.808 -0.046 2.206 1.00 0.00 O ATOM 1220 CB TYR A 79 -7.436 3.149 3.785 1.00 0.00 C ATOM 1221 CG TYR A 79 -6.947 3.855 5.035 1.00 0.00 C ATOM 1222 CD1 TYR A 79 -6.026 3.257 5.895 1.00 0.00 C ATOM 1223 CD2 TYR A 79 -7.412 5.124 5.359 1.00 0.00 C ATOM 1224 CE1 TYR A 79 -5.589 3.906 7.034 1.00 0.00 C ATOM 1225 CE2 TYR A 79 -6.976 5.776 6.496 1.00 0.00 C ATOM 1226 CZ TYR A 79 -6.066 5.164 7.329 1.00 0.00 C ATOM 1227 OH TYR A 79 -5.631 5.812 8.463 1.00 0.00 O ATOM 0 H TYR A 79 -5.402 1.764 3.193 1.00 0.00 H new ATOM 0 HA TYR A 79 -7.796 1.315 4.836 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -6.836 3.476 2.936 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -8.463 3.453 3.585 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -5.648 2.271 5.667 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -8.127 5.609 4.710 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -4.876 3.429 7.690 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -7.348 6.762 6.731 1.00 0.00 H new ATOM 0 HH TYR A 79 -4.792 6.281 8.271 1.00 0.00 H new ATOM 1237 N THR A 80 -9.386 1.526 2.480 1.00 0.00 N ATOM 1238 CA THR A 80 -10.258 0.974 1.452 1.00 0.00 C ATOM 1239 C THR A 80 -11.043 2.079 0.760 1.00 0.00 C ATOM 1240 O THR A 80 -11.453 3.053 1.391 1.00 0.00 O ATOM 1241 CB THR A 80 -11.222 -0.049 2.059 1.00 0.00 C ATOM 1242 OG1 THR A 80 -12.338 0.599 2.645 1.00 0.00 O ATOM 1243 CG2 THR A 80 -10.589 -0.920 3.124 1.00 0.00 C ATOM 0 H THR A 80 -9.749 2.362 2.938 1.00 0.00 H new ATOM 0 HA THR A 80 -9.633 0.475 0.712 1.00 0.00 H new ATOM 0 HB THR A 80 -11.523 -0.685 1.226 1.00 0.00 H new ATOM 0 HG1 THR A 80 -12.044 1.425 3.082 1.00 0.00 H new ATOM 0 HG21 THR A 80 -11.330 -1.620 3.509 1.00 0.00 H new ATOM 0 HG22 THR A 80 -9.756 -1.474 2.693 1.00 0.00 H new ATOM 0 HG23 THR A 80 -10.225 -0.293 3.938 1.00 0.00 H new ATOM 1251 N MET A 81 -11.254 1.921 -0.544 1.00 0.00 N ATOM 1252 CA MET A 81 -11.993 2.907 -1.326 1.00 0.00 C ATOM 1253 C MET A 81 -13.301 3.285 -0.634 1.00 0.00 C ATOM 1254 O MET A 81 -13.811 4.391 -0.811 1.00 0.00 O ATOM 1255 CB MET A 81 -12.273 2.364 -2.730 1.00 0.00 C ATOM 1256 CG MET A 81 -12.964 3.357 -3.652 1.00 0.00 C ATOM 1257 SD MET A 81 -12.196 4.990 -3.638 1.00 0.00 S ATOM 1258 CE MET A 81 -10.465 4.554 -3.782 1.00 0.00 C ATOM 0 H MET A 81 -10.923 1.119 -1.081 1.00 0.00 H new ATOM 0 HA MET A 81 -11.381 3.805 -1.409 1.00 0.00 H new ATOM 0 HB2 MET A 81 -11.331 2.057 -3.184 1.00 0.00 H new ATOM 0 HB3 MET A 81 -12.892 1.471 -2.646 1.00 0.00 H new ATOM 0 HG2 MET A 81 -12.954 2.966 -4.670 1.00 0.00 H new ATOM 0 HG3 MET A 81 -14.009 3.451 -3.357 1.00 0.00 H new ATOM 0 HE1 MET A 81 -9.863 5.462 -3.823 1.00 0.00 H new ATOM 0 HE2 MET A 81 -10.167 3.959 -2.919 1.00 0.00 H new ATOM 0 HE3 MET A 81 -10.310 3.975 -4.692 1.00 0.00 H new ATOM 1268 N ASP A 82 -13.832 2.362 0.163 1.00 0.00 N ATOM 1269 CA ASP A 82 -15.069 2.600 0.891 1.00 0.00 C ATOM 1270 C ASP A 82 -14.804 3.469 2.120 1.00 0.00 C ATOM 1271 O ASP A 82 -14.045 3.082 3.008 1.00 0.00 O ATOM 1272 CB ASP A 82 -15.699 1.272 1.316 1.00 0.00 C ATOM 1273 CG ASP A 82 -16.088 0.409 0.131 1.00 0.00 C ATOM 1274 OD1 ASP A 82 -15.185 -0.203 -0.477 1.00 0.00 O ATOM 1275 OD2 ASP A 82 -17.293 0.348 -0.188 1.00 0.00 O ATOM 0 H ASP A 82 -13.422 1.441 0.320 1.00 0.00 H new ATOM 0 HA ASP A 82 -15.762 3.124 0.233 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -14.997 0.725 1.945 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -16.583 1.470 1.923 1.00 0.00 H new ATOM 1280 N PRO A 83 -15.422 4.659 2.185 1.00 0.00 N ATOM 1281 CA PRO A 83 -15.242 5.586 3.312 1.00 0.00 C ATOM 1282 C PRO A 83 -15.812 5.052 4.626 1.00 0.00 C ATOM 1283 O PRO A 83 -15.644 5.669 5.676 1.00 0.00 O ATOM 1284 CB PRO A 83 -16.010 6.836 2.870 1.00 0.00 C ATOM 1285 CG PRO A 83 -17.005 6.339 1.880 1.00 0.00 C ATOM 1286 CD PRO A 83 -16.339 5.203 1.166 1.00 0.00 C ATOM 0 HA PRO A 83 -14.186 5.760 3.519 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -16.500 7.319 3.715 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -15.343 7.574 2.424 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -17.918 6.008 2.376 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -17.289 7.127 1.182 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -17.061 4.457 0.834 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -15.802 5.543 0.281 1.00 0.00 H new ATOM 1294 N SER A 84 -16.489 3.906 4.567 1.00 0.00 N ATOM 1295 CA SER A 84 -17.075 3.307 5.759 1.00 0.00 C ATOM 1296 C SER A 84 -16.149 2.256 6.362 1.00 0.00 C ATOM 1297 O SER A 84 -16.604 1.224 6.855 1.00 0.00 O ATOM 1298 CB SER A 84 -18.430 2.678 5.425 1.00 0.00 C ATOM 1299 OG SER A 84 -19.433 3.669 5.287 1.00 0.00 O ATOM 0 H SER A 84 -16.643 3.377 3.708 1.00 0.00 H new ATOM 0 HA SER A 84 -17.218 4.098 6.495 1.00 0.00 H new ATOM 0 HB2 SER A 84 -18.351 2.106 4.501 1.00 0.00 H new ATOM 0 HB3 SER A 84 -18.713 1.977 6.211 1.00 0.00 H new ATOM 0 HG SER A 84 -20.288 3.241 5.072 1.00 0.00 H new ATOM 1305 N VAL A 85 -14.849 2.525 6.322 1.00 0.00 N ATOM 1306 CA VAL A 85 -13.861 1.598 6.867 1.00 0.00 C ATOM 1307 C VAL A 85 -12.713 2.342 7.536 1.00 0.00 C ATOM 1308 O VAL A 85 -12.537 2.265 8.752 1.00 0.00 O ATOM 1309 CB VAL A 85 -13.276 0.684 5.776 1.00 0.00 C ATOM 1310 CG1 VAL A 85 -12.489 -0.459 6.398 1.00 0.00 C ATOM 1311 CG2 VAL A 85 -14.376 0.154 4.873 1.00 0.00 C ATOM 0 H VAL A 85 -14.454 3.375 5.919 1.00 0.00 H new ATOM 0 HA VAL A 85 -14.386 0.991 7.604 1.00 0.00 H new ATOM 0 HB VAL A 85 -12.592 1.274 5.166 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -12.084 -1.093 5.610 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -11.671 -0.055 6.995 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -13.147 -1.049 7.036 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -13.941 -0.490 4.109 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -15.090 -0.418 5.466 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -14.888 0.989 4.395 1.00 0.00 H new ATOM 1321 N ARG A 86 -11.926 3.049 6.726 1.00 0.00 N ATOM 1322 CA ARG A 86 -10.771 3.809 7.209 1.00 0.00 C ATOM 1323 C ARG A 86 -9.532 2.921 7.312 1.00 0.00 C ATOM 1324 O ARG A 86 -8.405 3.410 7.245 1.00 0.00 O ATOM 1325 CB ARG A 86 -11.062 4.461 8.566 1.00 0.00 C ATOM 1326 CG ARG A 86 -12.441 5.094 8.655 1.00 0.00 C ATOM 1327 CD ARG A 86 -12.414 6.381 9.463 1.00 0.00 C ATOM 1328 NE ARG A 86 -13.672 6.612 10.170 1.00 0.00 N ATOM 1329 CZ ARG A 86 -14.811 6.946 9.567 1.00 0.00 C ATOM 1330 NH1 ARG A 86 -14.855 7.090 8.249 1.00 0.00 N ATOM 1331 NH2 ARG A 86 -15.908 7.138 10.285 1.00 0.00 N ATOM 0 H ARG A 86 -12.070 3.112 5.718 1.00 0.00 H new ATOM 0 HA ARG A 86 -10.575 4.597 6.482 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -10.966 3.709 9.349 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -10.308 5.224 8.762 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -12.812 5.301 7.651 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -13.136 4.390 9.113 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -11.596 6.340 10.183 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -12.212 7.221 8.799 1.00 0.00 H new ATOM 0 HE ARG A 86 -13.678 6.511 11.185 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -14.013 6.945 7.692 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -15.731 7.346 7.793 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -15.879 7.030 11.299 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -16.781 7.394 9.824 1.00 0.00 H new ATOM 1345 N TRP A 87 -9.740 1.616 7.473 1.00 0.00 N ATOM 1346 CA TRP A 87 -8.630 0.673 7.576 1.00 0.00 C ATOM 1347 C TRP A 87 -9.125 -0.759 7.371 1.00 0.00 C ATOM 1348 O TRP A 87 -10.226 -1.110 7.795 1.00 0.00 O ATOM 1349 CB TRP A 87 -7.920 0.838 8.931 1.00 0.00 C ATOM 1350 CG TRP A 87 -7.556 -0.449 9.612 1.00 0.00 C ATOM 1351 CD1 TRP A 87 -8.415 -1.406 10.067 1.00 0.00 C ATOM 1352 CD2 TRP A 87 -6.238 -0.910 9.920 1.00 0.00 C ATOM 1353 NE1 TRP A 87 -7.711 -2.439 10.634 1.00 0.00 N ATOM 1354 CE2 TRP A 87 -6.371 -2.157 10.558 1.00 0.00 C ATOM 1355 CE3 TRP A 87 -4.956 -0.391 9.718 1.00 0.00 C ATOM 1356 CZ2 TRP A 87 -5.273 -2.890 10.994 1.00 0.00 C ATOM 1357 CZ3 TRP A 87 -3.866 -1.121 10.152 1.00 0.00 C ATOM 1358 CH2 TRP A 87 -4.031 -2.359 10.785 1.00 0.00 C ATOM 0 H TRP A 87 -10.664 1.189 7.535 1.00 0.00 H new ATOM 0 HA TRP A 87 -7.906 0.886 6.790 1.00 0.00 H new ATOM 0 HB2 TRP A 87 -7.012 1.423 8.781 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -8.564 1.414 9.595 1.00 0.00 H new ATOM 0 HD1 TRP A 87 -9.491 -1.358 9.992 1.00 0.00 H new ATOM 0 HE1 TRP A 87 -8.118 -3.279 11.045 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -4.820 0.564 9.231 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -5.397 -3.846 11.481 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -2.871 -0.730 10.001 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -3.160 -2.905 11.115 1.00 0.00 H new ATOM 1369 N GLU A 88 -8.303 -1.583 6.732 1.00 0.00 N ATOM 1370 CA GLU A 88 -8.661 -2.975 6.484 1.00 0.00 C ATOM 1371 C GLU A 88 -7.429 -3.806 6.154 1.00 0.00 C ATOM 1372 O GLU A 88 -6.380 -3.267 5.802 1.00 0.00 O ATOM 1373 CB GLU A 88 -9.674 -3.071 5.349 1.00 0.00 C ATOM 1374 CG GLU A 88 -10.723 -4.152 5.555 1.00 0.00 C ATOM 1375 CD GLU A 88 -11.967 -3.632 6.251 1.00 0.00 C ATOM 1376 OE1 GLU A 88 -11.824 -2.968 7.300 1.00 0.00 O ATOM 1377 OE2 GLU A 88 -13.079 -3.889 5.749 1.00 0.00 O ATOM 0 H GLU A 88 -7.386 -1.313 6.377 1.00 0.00 H new ATOM 0 HA GLU A 88 -9.110 -3.372 7.394 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -10.174 -2.109 5.238 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -9.144 -3.265 4.416 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -11.001 -4.573 4.589 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -10.294 -4.963 6.144 1.00 0.00 H new ATOM 1384 N TYR A 89 -7.565 -5.123 6.259 1.00 0.00 N ATOM 1385 CA TYR A 89 -6.461 -6.026 5.959 1.00 0.00 C ATOM 1386 C TYR A 89 -6.493 -6.442 4.497 1.00 0.00 C ATOM 1387 O TYR A 89 -7.400 -6.065 3.760 1.00 0.00 O ATOM 1388 CB TYR A 89 -6.515 -7.250 6.871 1.00 0.00 C ATOM 1389 CG TYR A 89 -6.137 -6.926 8.294 1.00 0.00 C ATOM 1390 CD1 TYR A 89 -6.851 -5.981 9.014 1.00 0.00 C ATOM 1391 CD2 TYR A 89 -5.059 -7.548 8.910 1.00 0.00 C ATOM 1392 CE1 TYR A 89 -6.507 -5.663 10.310 1.00 0.00 C ATOM 1393 CE2 TYR A 89 -4.706 -7.238 10.210 1.00 0.00 C ATOM 1394 CZ TYR A 89 -5.435 -6.294 10.907 1.00 0.00 C ATOM 1395 OH TYR A 89 -5.086 -5.980 12.200 1.00 0.00 O ATOM 0 H TYR A 89 -8.426 -5.588 6.549 1.00 0.00 H new ATOM 0 HA TYR A 89 -5.523 -5.501 6.142 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -7.521 -7.669 6.852 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -5.843 -8.017 6.485 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -7.692 -5.485 8.551 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -4.488 -8.285 8.365 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -7.074 -4.923 10.856 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -3.866 -7.730 10.678 1.00 0.00 H new ATOM 0 HH TYR A 89 -4.310 -6.515 12.469 1.00 0.00 H new ATOM 1405 N CYS A 90 -5.494 -7.210 4.078 1.00 0.00 N ATOM 1406 CA CYS A 90 -5.411 -7.664 2.695 1.00 0.00 C ATOM 1407 C CYS A 90 -5.639 -9.168 2.593 1.00 0.00 C ATOM 1408 O CYS A 90 -5.533 -9.888 3.585 1.00 0.00 O ATOM 1409 CB CYS A 90 -4.046 -7.303 2.110 1.00 0.00 C ATOM 1410 SG CYS A 90 -4.121 -6.529 0.465 1.00 0.00 S ATOM 0 H CYS A 90 -4.732 -7.531 4.675 1.00 0.00 H new ATOM 0 HA CYS A 90 -6.194 -7.163 2.126 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -3.537 -6.625 2.795 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -3.440 -8.207 2.047 1.00 0.00 H new ATOM 1415 N ASN A 91 -5.941 -9.639 1.387 1.00 0.00 N ATOM 1416 CA ASN A 91 -6.167 -11.061 1.164 1.00 0.00 C ATOM 1417 C ASN A 91 -4.890 -11.842 1.454 1.00 0.00 C ATOM 1418 O ASN A 91 -4.105 -12.132 0.554 1.00 0.00 O ATOM 1419 CB ASN A 91 -6.622 -11.319 -0.271 1.00 0.00 C ATOM 1420 CG ASN A 91 -5.607 -10.843 -1.287 1.00 0.00 C ATOM 1421 OD1 ASN A 91 -4.781 -11.619 -1.767 1.00 0.00 O ATOM 1422 ND2 ASN A 91 -5.664 -9.561 -1.624 1.00 0.00 N ATOM 0 H ASN A 91 -6.034 -9.059 0.553 1.00 0.00 H new ATOM 0 HA ASN A 91 -6.954 -11.395 1.840 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -6.798 -12.386 -0.408 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -7.572 -10.814 -0.445 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -5.006 -9.183 -2.306 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -6.365 -8.953 -1.201 1.00 0.00 H new ATOM 1429 N LEU A 92 -4.686 -12.159 2.724 1.00 0.00 N ATOM 1430 CA LEU A 92 -3.504 -12.880 3.159 1.00 0.00 C ATOM 1431 C LEU A 92 -3.754 -13.525 4.520 1.00 0.00 C ATOM 1432 O LEU A 92 -3.944 -12.838 5.520 1.00 0.00 O ATOM 1433 CB LEU A 92 -2.318 -11.914 3.240 1.00 0.00 C ATOM 1434 CG LEU A 92 -1.357 -11.958 2.051 1.00 0.00 C ATOM 1435 CD1 LEU A 92 -1.759 -10.935 0.997 1.00 0.00 C ATOM 1436 CD2 LEU A 92 0.070 -11.710 2.514 1.00 0.00 C ATOM 0 H LEU A 92 -5.333 -11.924 3.477 1.00 0.00 H new ATOM 0 HA LEU A 92 -3.276 -13.667 2.440 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -2.703 -10.899 3.337 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -1.756 -12.130 4.149 1.00 0.00 H new ATOM 0 HG LEU A 92 -1.410 -12.950 1.603 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -1.063 -10.982 0.160 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -2.767 -11.153 0.644 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -1.736 -9.936 1.432 1.00 0.00 H new ATOM 0 HD21 LEU A 92 0.742 -11.744 1.656 1.00 0.00 H new ATOM 0 HD22 LEU A 92 0.134 -10.730 2.986 1.00 0.00 H new ATOM 0 HD23 LEU A 92 0.358 -12.478 3.232 1.00 0.00 H new ATOM 1448 N THR A 93 -3.751 -14.848 4.543 1.00 0.00 N ATOM 1449 CA THR A 93 -3.977 -15.597 5.773 1.00 0.00 C ATOM 1450 C THR A 93 -3.068 -16.810 5.840 1.00 0.00 C ATOM 1451 O THR A 93 -2.550 -17.274 4.831 1.00 0.00 O ATOM 1452 CB THR A 93 -5.437 -16.040 5.890 1.00 0.00 C ATOM 1453 OG1 THR A 93 -5.793 -16.930 4.850 1.00 0.00 O ATOM 1454 CG2 THR A 93 -6.407 -14.885 5.864 1.00 0.00 C ATOM 0 H THR A 93 -3.594 -15.430 3.720 1.00 0.00 H new ATOM 0 HA THR A 93 -3.746 -14.934 6.607 1.00 0.00 H new ATOM 0 HB THR A 93 -5.506 -16.537 6.858 1.00 0.00 H new ATOM 0 HG1 THR A 93 -6.470 -16.511 4.279 1.00 0.00 H new ATOM 0 HG21 THR A 93 -7.426 -15.263 5.951 1.00 0.00 H new ATOM 0 HG22 THR A 93 -6.197 -14.215 6.697 1.00 0.00 H new ATOM 0 HG23 THR A 93 -6.300 -14.341 4.925 1.00 0.00 H new ATOM 1462 N ARG A 94 -2.876 -17.316 7.040 1.00 0.00 N ATOM 1463 CA ARG A 94 -2.023 -18.470 7.244 1.00 0.00 C ATOM 1464 C ARG A 94 -2.569 -19.692 6.512 1.00 0.00 C ATOM 1465 O ARG A 94 -3.628 -20.216 6.857 1.00 0.00 O ATOM 1466 CB ARG A 94 -1.913 -18.741 8.738 1.00 0.00 C ATOM 1467 CG ARG A 94 -0.677 -18.124 9.368 1.00 0.00 C ATOM 1468 CD ARG A 94 -0.948 -17.640 10.783 1.00 0.00 C ATOM 1469 NE ARG A 94 -2.132 -16.787 10.853 1.00 0.00 N ATOM 1470 CZ ARG A 94 -2.785 -16.515 11.981 1.00 0.00 C ATOM 1471 NH1 ARG A 94 -2.372 -17.027 13.135 1.00 0.00 N ATOM 1472 NH2 ARG A 94 -3.851 -15.728 11.957 1.00 0.00 N ATOM 0 H ARG A 94 -3.300 -16.946 7.891 1.00 0.00 H new ATOM 0 HA ARG A 94 -1.034 -18.263 6.836 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -2.800 -18.352 9.238 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -1.899 -19.818 8.905 1.00 0.00 H new ATOM 0 HG2 ARG A 94 0.129 -18.858 9.383 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -0.336 -17.288 8.757 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -1.081 -18.499 11.441 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -0.082 -17.089 11.150 1.00 0.00 H new ATOM 0 HE ARG A 94 -2.479 -16.376 9.987 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -1.551 -17.632 13.160 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -2.876 -16.815 13.996 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -4.172 -15.330 11.074 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -4.351 -15.520 12.821 1.00 0.00 H new ATOM 1486 N CYS A 95 -1.835 -20.134 5.491 1.00 0.00 N ATOM 1487 CA CYS A 95 -2.240 -21.292 4.697 1.00 0.00 C ATOM 1488 C CYS A 95 -1.804 -22.600 5.353 1.00 0.00 C ATOM 1489 O CYS A 95 -2.642 -23.417 5.736 1.00 0.00 O ATOM 1490 CB CYS A 95 -1.674 -21.193 3.276 1.00 0.00 C ATOM 1491 SG CYS A 95 -2.887 -21.550 1.962 1.00 0.00 S ATOM 0 H CYS A 95 -0.957 -19.707 5.195 1.00 0.00 H new ATOM 0 HA CYS A 95 -3.329 -21.292 4.643 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -1.276 -20.190 3.125 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -0.838 -21.886 3.181 1.00 0.00 H new ATOM 1496 N PRO A 96 -0.485 -22.823 5.498 1.00 0.00 N ATOM 1497 CA PRO A 96 0.049 -24.042 6.117 1.00 0.00 C ATOM 1498 C PRO A 96 -0.550 -24.307 7.493 1.00 0.00 C ATOM 1499 O PRO A 96 -0.386 -23.510 8.418 1.00 0.00 O ATOM 1500 CB PRO A 96 1.556 -23.760 6.236 1.00 0.00 C ATOM 1501 CG PRO A 96 1.693 -22.290 6.022 1.00 0.00 C ATOM 1502 CD PRO A 96 0.593 -21.917 5.082 1.00 0.00 C ATOM 0 HA PRO A 96 -0.186 -24.928 5.528 1.00 0.00 H new ATOM 0 HB2 PRO A 96 1.936 -24.053 7.215 1.00 0.00 H new ATOM 0 HB3 PRO A 96 2.122 -24.321 5.493 1.00 0.00 H new ATOM 0 HG2 PRO A 96 1.606 -21.747 6.963 1.00 0.00 H new ATOM 0 HG3 PRO A 96 2.668 -22.044 5.602 1.00 0.00 H new ATOM 0 HD2 PRO A 96 0.308 -20.870 5.183 1.00 0.00 H new ATOM 0 HD3 PRO A 96 0.876 -22.071 4.041 1.00 0.00 H new ATOM 1510 N VAL A 97 -1.241 -25.434 7.626 1.00 0.00 N ATOM 1511 CA VAL A 97 -1.861 -25.808 8.891 1.00 0.00 C ATOM 1512 C VAL A 97 -1.705 -27.301 9.158 1.00 0.00 C ATOM 1513 O VAL A 97 -0.929 -27.708 10.022 1.00 0.00 O ATOM 1514 CB VAL A 97 -3.358 -25.441 8.919 1.00 0.00 C ATOM 1515 CG1 VAL A 97 -3.949 -25.707 10.296 1.00 0.00 C ATOM 1516 CG2 VAL A 97 -3.560 -23.989 8.513 1.00 0.00 C ATOM 0 H VAL A 97 -1.386 -26.105 6.872 1.00 0.00 H new ATOM 0 HA VAL A 97 -1.348 -25.247 9.672 1.00 0.00 H new ATOM 0 HB VAL A 97 -3.881 -26.070 8.199 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -5.006 -25.442 10.296 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -3.840 -26.764 10.541 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -3.425 -25.106 11.039 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -4.623 -23.748 8.539 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -3.024 -23.340 9.205 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -3.178 -23.837 7.504 1.00 0.00 H new ATOM 1526 N THR A 98 -2.442 -28.115 8.406 1.00 0.00 N ATOM 1527 CA THR A 98 -2.383 -29.565 8.557 1.00 0.00 C ATOM 1528 C THR A 98 -2.741 -29.985 9.985 1.00 0.00 C ATOM 1529 O THR A 98 -3.888 -30.331 10.268 1.00 0.00 O ATOM 1530 CB THR A 98 -0.992 -30.083 8.177 1.00 0.00 C ATOM 1531 OG1 THR A 98 -0.717 -29.818 6.814 1.00 0.00 O ATOM 1532 CG2 THR A 98 -0.822 -31.572 8.396 1.00 0.00 C ATOM 0 H THR A 98 -3.088 -27.793 7.685 1.00 0.00 H new ATOM 0 HA THR A 98 -3.117 -30.007 7.883 1.00 0.00 H new ATOM 0 HB THR A 98 -0.300 -29.556 8.834 1.00 0.00 H new ATOM 0 HG1 THR A 98 0.176 -30.154 6.589 1.00 0.00 H new ATOM 0 HG21 THR A 98 0.186 -31.870 8.106 1.00 0.00 H new ATOM 0 HG22 THR A 98 -0.981 -31.805 9.449 1.00 0.00 H new ATOM 0 HG23 THR A 98 -1.549 -32.114 7.791 1.00 0.00 H new ATOM 1540 N GLU A 99 -1.758 -29.952 10.879 1.00 0.00 N ATOM 1541 CA GLU A 99 -1.976 -30.329 12.271 1.00 0.00 C ATOM 1542 C GLU A 99 -0.701 -30.152 13.088 1.00 0.00 C ATOM 1543 O GLU A 99 0.046 -31.104 13.308 1.00 0.00 O ATOM 1544 CB GLU A 99 -2.453 -31.781 12.361 1.00 0.00 C ATOM 1545 CG GLU A 99 -2.737 -32.242 13.781 1.00 0.00 C ATOM 1546 CD GLU A 99 -3.088 -33.715 13.857 1.00 0.00 C ATOM 1547 OE1 GLU A 99 -4.276 -34.051 13.670 1.00 0.00 O ATOM 1548 OE2 GLU A 99 -2.176 -34.531 14.103 1.00 0.00 O ATOM 0 H GLU A 99 -0.802 -29.668 10.664 1.00 0.00 H new ATOM 0 HA GLU A 99 -2.745 -29.674 12.681 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -3.357 -31.895 11.763 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -1.696 -32.431 11.922 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -1.864 -32.048 14.404 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -3.558 -31.655 14.192 1.00 0.00 H new ATOM 1555 N SER A 100 -0.458 -28.925 13.537 1.00 0.00 N ATOM 1556 CA SER A 100 0.728 -28.620 14.330 1.00 0.00 C ATOM 1557 C SER A 100 0.766 -29.463 15.601 1.00 0.00 C ATOM 1558 O SER A 100 -0.252 -29.631 16.275 1.00 0.00 O ATOM 1559 CB SER A 100 0.760 -27.134 14.686 1.00 0.00 C ATOM 1560 OG SER A 100 2.082 -26.624 14.633 1.00 0.00 O ATOM 0 H SER A 100 -1.067 -28.125 13.365 1.00 0.00 H new ATOM 0 HA SER A 100 1.607 -28.861 13.732 1.00 0.00 H new ATOM 0 HB2 SER A 100 0.125 -26.578 13.996 1.00 0.00 H new ATOM 0 HB3 SER A 100 0.350 -26.988 15.685 1.00 0.00 H new ATOM 0 HG SER A 100 2.075 -25.671 14.863 1.00 0.00 H new ATOM 1566 N SER A 101 1.943 -29.986 15.923 1.00 0.00 N ATOM 1567 CA SER A 101 2.112 -30.812 17.115 1.00 0.00 C ATOM 1568 C SER A 101 1.237 -32.059 17.043 1.00 0.00 C ATOM 1569 O SER A 101 0.217 -32.075 16.352 1.00 0.00 O ATOM 1570 CB SER A 101 1.772 -30.008 18.370 1.00 0.00 C ATOM 1571 OG SER A 101 2.900 -29.284 18.833 1.00 0.00 O ATOM 0 H SER A 101 2.794 -29.854 15.377 1.00 0.00 H new ATOM 0 HA SER A 101 3.155 -31.125 17.164 1.00 0.00 H new ATOM 0 HB2 SER A 101 0.957 -29.318 18.154 1.00 0.00 H new ATOM 0 HB3 SER A 101 1.421 -30.681 19.153 1.00 0.00 H new ATOM 0 HG SER A 101 2.656 -28.777 19.635 1.00 0.00 H new ATOM 1577 N VAL A 102 1.641 -33.102 17.760 1.00 0.00 N ATOM 1578 CA VAL A 102 0.895 -34.352 17.779 1.00 0.00 C ATOM 1579 C VAL A 102 0.078 -34.486 19.059 1.00 0.00 C ATOM 1580 O VAL A 102 -1.146 -34.716 18.958 1.00 0.00 O ATOM 1581 CB VAL A 102 1.830 -35.570 17.653 1.00 0.00 C ATOM 1582 CG1 VAL A 102 1.026 -36.846 17.463 1.00 0.00 C ATOM 1583 CG2 VAL A 102 2.811 -35.373 16.507 1.00 0.00 C ATOM 1584 OXT VAL A 102 0.667 -34.360 20.152 1.00 0.00 O ATOM 0 H VAL A 102 2.483 -33.105 18.336 1.00 0.00 H new ATOM 0 HA VAL A 102 0.223 -34.329 16.921 1.00 0.00 H new ATOM 0 HB VAL A 102 2.400 -35.664 18.577 1.00 0.00 H new ATOM 0 HG11 VAL A 102 1.705 -37.694 17.376 1.00 0.00 H new ATOM 0 HG12 VAL A 102 0.369 -36.993 18.320 1.00 0.00 H new ATOM 0 HG13 VAL A 102 0.427 -36.767 16.556 1.00 0.00 H new ATOM 0 HG21 VAL A 102 3.463 -36.243 16.433 1.00 0.00 H new ATOM 0 HG22 VAL A 102 2.261 -35.252 15.574 1.00 0.00 H new ATOM 0 HG23 VAL A 102 3.413 -34.483 16.692 1.00 0.00 H new TER 1594 VAL A 102