USER MOD reduce.3.24.130724 H: found=0, std=0, add=757, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 753 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 39 SER OG : rot 180:sc= 0.274 USER MOD Set 1.2: A 43 LYS NZ :NH3+ -145:sc= 0.245 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= -2.97! C(o=-3!,f=-2.5!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -0.306 X(o=-0.31,f=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot -92:sc= 0.309 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -3.43! C(o=-3.4!,f=-4.5!) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 HIS : no HD1:sc= 0 X(o=0,f=-0.0044) USER MOD Single : A 45 HIS : no HD1:sc= -0.156 X(o=-0.16,f=-0.35) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 HIS : no HE2:sc= 0.205 K(o=0.2,f=-0.8) USER MOD Single : A 50 HIS : no HD1:sc= -0.554 X(o=-0.55,f=-0.31) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 HIS : no HD1:sc= -1.21 X(o=-1.2,f=-1.2) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl 172:sc= -7.35! (180deg=-7.74!) USER MOD Single : A 61 GLN : amide:sc= -0.42 K(o=-0.42,f=-2) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -5.92! C(o=-5.9!,f=-9.4!) USER MOD Single : A 77 TYR OH : rot -120:sc= -3.2! USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 36 N THR A 3 71.593 -3.265 -13.387 1.00 0.00 N ATOM 37 CA THR A 3 71.588 -3.687 -14.808 1.00 0.00 C ATOM 38 C THR A 3 72.212 -2.580 -15.667 1.00 0.00 C ATOM 39 O THR A 3 72.765 -1.625 -15.158 1.00 0.00 O ATOM 40 CB THR A 3 70.139 -3.997 -15.244 1.00 0.00 C ATOM 41 OG1 THR A 3 70.114 -5.251 -15.909 1.00 0.00 O ATOM 42 CG2 THR A 3 69.587 -2.918 -16.188 1.00 0.00 C ATOM 0 HA THR A 3 72.181 -4.592 -14.939 1.00 0.00 H new ATOM 0 HB THR A 3 69.514 -4.019 -14.352 1.00 0.00 H new ATOM 0 HG1 THR A 3 69.197 -5.455 -16.187 1.00 0.00 H new ATOM 0 HG21 THR A 3 68.566 -3.171 -16.473 1.00 0.00 H new ATOM 0 HG22 THR A 3 69.594 -1.953 -15.681 1.00 0.00 H new ATOM 0 HG23 THR A 3 70.209 -2.863 -17.081 1.00 0.00 H new ATOM 50 N LYS A 4 72.129 -2.705 -16.965 1.00 0.00 N ATOM 51 CA LYS A 4 72.715 -1.667 -17.859 1.00 0.00 C ATOM 52 C LYS A 4 72.423 -0.274 -17.295 1.00 0.00 C ATOM 53 O LYS A 4 73.226 0.299 -16.585 1.00 0.00 O ATOM 54 CB LYS A 4 72.098 -1.789 -19.254 1.00 0.00 C ATOM 55 CG LYS A 4 72.870 -2.830 -20.066 1.00 0.00 C ATOM 56 CD LYS A 4 73.351 -2.202 -21.376 1.00 0.00 C ATOM 57 CE LYS A 4 74.505 -1.240 -21.087 1.00 0.00 C ATOM 58 NZ LYS A 4 74.274 0.045 -21.807 1.00 0.00 N ATOM 0 H LYS A 4 71.679 -3.484 -17.445 1.00 0.00 H new ATOM 0 HA LYS A 4 73.793 -1.813 -17.921 1.00 0.00 H new ATOM 0 HB2 LYS A 4 71.050 -2.078 -19.175 1.00 0.00 H new ATOM 0 HB3 LYS A 4 72.125 -0.824 -19.761 1.00 0.00 H new ATOM 0 HG2 LYS A 4 73.721 -3.196 -19.492 1.00 0.00 H new ATOM 0 HG3 LYS A 4 72.233 -3.689 -20.275 1.00 0.00 H new ATOM 0 HD2 LYS A 4 73.676 -2.980 -22.067 1.00 0.00 H new ATOM 0 HD3 LYS A 4 72.532 -1.669 -21.859 1.00 0.00 H new ATOM 0 HE2 LYS A 4 74.582 -1.060 -20.015 1.00 0.00 H new ATOM 0 HE3 LYS A 4 75.449 -1.682 -21.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 75.058 0.699 -21.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 74.221 -0.135 -22.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 73.381 0.469 -21.483 1.00 0.00 H new ATOM 72 N GLU A 5 71.283 0.280 -17.607 1.00 0.00 N ATOM 73 CA GLU A 5 70.951 1.635 -17.094 1.00 0.00 C ATOM 74 C GLU A 5 70.229 1.524 -15.759 1.00 0.00 C ATOM 75 O GLU A 5 69.595 2.451 -15.296 1.00 0.00 O ATOM 76 CB GLU A 5 70.057 2.355 -18.095 1.00 0.00 C ATOM 77 CG GLU A 5 70.860 3.439 -18.817 1.00 0.00 C ATOM 78 CD GLU A 5 70.137 3.838 -20.104 1.00 0.00 C ATOM 79 OE1 GLU A 5 68.960 3.534 -20.218 1.00 0.00 O ATOM 80 OE2 GLU A 5 70.770 4.441 -20.954 1.00 0.00 O ATOM 0 H GLU A 5 70.569 -0.149 -18.195 1.00 0.00 H new ATOM 0 HA GLU A 5 71.874 2.199 -16.956 1.00 0.00 H new ATOM 0 HB2 GLU A 5 69.657 1.643 -18.817 1.00 0.00 H new ATOM 0 HB3 GLU A 5 69.205 2.801 -17.581 1.00 0.00 H new ATOM 0 HG2 GLU A 5 70.981 4.308 -18.171 1.00 0.00 H new ATOM 0 HG3 GLU A 5 71.860 3.072 -19.048 1.00 0.00 H new ATOM 87 N GLU A 6 70.338 0.399 -15.139 1.00 0.00 N ATOM 88 CA GLU A 6 69.683 0.202 -13.823 1.00 0.00 C ATOM 89 C GLU A 6 70.628 0.634 -12.714 1.00 0.00 C ATOM 90 O GLU A 6 70.354 0.495 -11.539 1.00 0.00 O ATOM 91 CB GLU A 6 69.335 -1.267 -13.645 1.00 0.00 C ATOM 92 CG GLU A 6 67.978 -1.556 -14.289 1.00 0.00 C ATOM 93 CD GLU A 6 66.877 -0.841 -13.505 1.00 0.00 C ATOM 94 OE1 GLU A 6 66.570 -1.289 -12.411 1.00 0.00 O ATOM 95 OE2 GLU A 6 66.361 0.143 -14.008 1.00 0.00 O ATOM 0 H GLU A 6 70.858 -0.406 -15.487 1.00 0.00 H new ATOM 0 HA GLU A 6 68.773 0.801 -13.779 1.00 0.00 H new ATOM 0 HB2 GLU A 6 70.105 -1.891 -14.100 1.00 0.00 H new ATOM 0 HB3 GLU A 6 69.306 -1.518 -12.585 1.00 0.00 H new ATOM 0 HG2 GLU A 6 67.977 -1.220 -15.326 1.00 0.00 H new ATOM 0 HG3 GLU A 6 67.791 -2.630 -14.302 1.00 0.00 H new ATOM 102 N LYS A 7 71.737 1.162 -13.098 1.00 0.00 N ATOM 103 CA LYS A 7 72.742 1.627 -12.113 1.00 0.00 C ATOM 104 C LYS A 7 73.113 3.080 -12.412 1.00 0.00 C ATOM 105 O LYS A 7 73.410 3.850 -11.521 1.00 0.00 O ATOM 106 CB LYS A 7 73.991 0.751 -12.202 1.00 0.00 C ATOM 107 CG LYS A 7 74.530 0.768 -13.634 1.00 0.00 C ATOM 108 CD LYS A 7 75.382 2.021 -13.843 1.00 0.00 C ATOM 109 CE LYS A 7 76.794 1.613 -14.268 1.00 0.00 C ATOM 110 NZ LYS A 7 77.768 2.645 -13.811 1.00 0.00 N ATOM 0 H LYS A 7 72.002 1.297 -14.074 1.00 0.00 H new ATOM 0 HA LYS A 7 72.324 1.558 -11.109 1.00 0.00 H new ATOM 0 HB2 LYS A 7 74.752 1.115 -11.512 1.00 0.00 H new ATOM 0 HB3 LYS A 7 73.753 -0.270 -11.905 1.00 0.00 H new ATOM 0 HG2 LYS A 7 75.126 -0.125 -13.820 1.00 0.00 H new ATOM 0 HG3 LYS A 7 73.704 0.754 -14.345 1.00 0.00 H new ATOM 0 HD2 LYS A 7 74.931 2.657 -14.605 1.00 0.00 H new ATOM 0 HD3 LYS A 7 75.422 2.604 -12.923 1.00 0.00 H new ATOM 0 HE2 LYS A 7 77.048 0.643 -13.840 1.00 0.00 H new ATOM 0 HE3 LYS A 7 76.843 1.506 -15.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 78.728 2.368 -14.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 77.529 3.562 -14.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 77.728 2.726 -12.775 1.00 0.00 H new ATOM 124 N GLN A 8 73.102 3.461 -13.661 1.00 0.00 N ATOM 125 CA GLN A 8 73.456 4.865 -14.011 1.00 0.00 C ATOM 126 C GLN A 8 72.564 5.828 -13.224 1.00 0.00 C ATOM 127 O GLN A 8 72.943 6.946 -12.937 1.00 0.00 O ATOM 128 CB GLN A 8 73.251 5.086 -15.512 1.00 0.00 C ATOM 129 CG GLN A 8 71.779 4.870 -15.869 1.00 0.00 C ATOM 130 CD GLN A 8 71.261 6.079 -16.649 1.00 0.00 C ATOM 131 OE1 GLN A 8 71.869 6.502 -17.612 1.00 0.00 O ATOM 132 NE2 GLN A 8 70.153 6.657 -16.272 1.00 0.00 N ATOM 0 H GLN A 8 72.864 2.862 -14.451 1.00 0.00 H new ATOM 0 HA GLN A 8 74.500 5.050 -13.758 1.00 0.00 H new ATOM 0 HB2 GLN A 8 73.557 6.096 -15.786 1.00 0.00 H new ATOM 0 HB3 GLN A 8 73.878 4.398 -16.080 1.00 0.00 H new ATOM 0 HG2 GLN A 8 71.667 3.964 -16.465 1.00 0.00 H new ATOM 0 HG3 GLN A 8 71.191 4.729 -14.962 1.00 0.00 H new ATOM 0 HE21 GLN A 8 69.642 6.302 -15.464 1.00 0.00 H new ATOM 0 HE22 GLN A 8 69.798 7.463 -16.786 1.00 0.00 H new ATOM 141 N LYS A 9 71.381 5.403 -12.873 1.00 0.00 N ATOM 142 CA LYS A 9 70.467 6.291 -12.109 1.00 0.00 C ATOM 143 C LYS A 9 70.785 6.194 -10.615 1.00 0.00 C ATOM 144 O LYS A 9 70.552 7.116 -9.860 1.00 0.00 O ATOM 145 CB LYS A 9 69.017 5.861 -12.351 1.00 0.00 C ATOM 146 CG LYS A 9 68.254 6.998 -13.032 1.00 0.00 C ATOM 147 CD LYS A 9 67.369 6.427 -14.141 1.00 0.00 C ATOM 148 CE LYS A 9 66.271 5.560 -13.522 1.00 0.00 C ATOM 149 NZ LYS A 9 64.936 6.096 -13.908 1.00 0.00 N ATOM 0 H LYS A 9 71.010 4.477 -13.084 1.00 0.00 H new ATOM 0 HA LYS A 9 70.602 7.320 -12.441 1.00 0.00 H new ATOM 0 HB2 LYS A 9 68.991 4.967 -12.974 1.00 0.00 H new ATOM 0 HB3 LYS A 9 68.540 5.604 -11.405 1.00 0.00 H new ATOM 0 HG2 LYS A 9 67.643 7.529 -12.302 1.00 0.00 H new ATOM 0 HG3 LYS A 9 68.954 7.722 -13.448 1.00 0.00 H new ATOM 0 HD2 LYS A 9 66.925 7.237 -14.720 1.00 0.00 H new ATOM 0 HD3 LYS A 9 67.969 5.834 -14.831 1.00 0.00 H new ATOM 0 HE2 LYS A 9 66.373 4.529 -13.861 1.00 0.00 H new ATOM 0 HE3 LYS A 9 66.370 5.549 -12.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 64.190 5.506 -13.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 64.841 7.073 -13.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 64.843 6.084 -14.944 1.00 0.00 H new ATOM 163 N VAL A 10 71.316 5.082 -10.183 1.00 0.00 N ATOM 164 CA VAL A 10 71.646 4.926 -8.740 1.00 0.00 C ATOM 165 C VAL A 10 72.675 5.981 -8.336 1.00 0.00 C ATOM 166 O VAL A 10 72.483 6.722 -7.394 1.00 0.00 O ATOM 167 CB VAL A 10 72.224 3.530 -8.496 1.00 0.00 C ATOM 168 CG1 VAL A 10 72.734 3.433 -7.057 1.00 0.00 C ATOM 169 CG2 VAL A 10 71.132 2.482 -8.720 1.00 0.00 C ATOM 0 H VAL A 10 71.535 4.276 -10.768 1.00 0.00 H new ATOM 0 HA VAL A 10 70.742 5.053 -8.145 1.00 0.00 H new ATOM 0 HB VAL A 10 73.048 3.352 -9.186 1.00 0.00 H new ATOM 0 HG11 VAL A 10 73.146 2.439 -6.883 1.00 0.00 H new ATOM 0 HG12 VAL A 10 73.510 4.181 -6.895 1.00 0.00 H new ATOM 0 HG13 VAL A 10 71.910 3.610 -6.366 1.00 0.00 H new ATOM 0 HG21 VAL A 10 71.542 1.487 -8.547 1.00 0.00 H new ATOM 0 HG22 VAL A 10 70.309 2.661 -8.028 1.00 0.00 H new ATOM 0 HG23 VAL A 10 70.767 2.551 -9.745 1.00 0.00 H new ATOM 179 N ILE A 11 73.765 6.049 -9.044 1.00 0.00 N ATOM 180 CA ILE A 11 74.812 7.051 -8.710 1.00 0.00 C ATOM 181 C ILE A 11 74.345 8.427 -9.147 1.00 0.00 C ATOM 182 O ILE A 11 74.445 9.399 -8.429 1.00 0.00 O ATOM 183 CB ILE A 11 76.129 6.679 -9.409 1.00 0.00 C ATOM 184 CG1 ILE A 11 76.286 7.353 -10.789 1.00 0.00 C ATOM 185 CG2 ILE A 11 76.206 5.161 -9.574 1.00 0.00 C ATOM 186 CD1 ILE A 11 75.472 6.605 -11.838 1.00 0.00 C ATOM 0 H ILE A 11 73.977 5.451 -9.843 1.00 0.00 H new ATOM 0 HA ILE A 11 74.984 7.061 -7.634 1.00 0.00 H new ATOM 0 HB ILE A 11 76.941 7.041 -8.779 1.00 0.00 H new ATOM 0 HG12 ILE A 11 75.956 8.390 -10.734 1.00 0.00 H new ATOM 0 HG13 ILE A 11 77.337 7.368 -11.077 1.00 0.00 H new ATOM 0 HG21 ILE A 11 77.140 4.896 -10.070 1.00 0.00 H new ATOM 0 HG22 ILE A 11 76.168 4.686 -8.594 1.00 0.00 H new ATOM 0 HG23 ILE A 11 75.365 4.817 -10.176 1.00 0.00 H new ATOM 0 HD11 ILE A 11 75.592 7.091 -12.806 1.00 0.00 H new ATOM 0 HD12 ILE A 11 75.822 5.575 -11.903 1.00 0.00 H new ATOM 0 HD13 ILE A 11 74.419 6.613 -11.556 1.00 0.00 H new ATOM 198 N GLN A 12 73.837 8.497 -10.330 1.00 0.00 N ATOM 199 CA GLN A 12 73.335 9.796 -10.872 1.00 0.00 C ATOM 200 C GLN A 12 72.643 10.549 -9.740 1.00 0.00 C ATOM 201 O GLN A 12 72.719 11.757 -9.632 1.00 0.00 O ATOM 202 CB GLN A 12 72.338 9.534 -12.003 1.00 0.00 C ATOM 203 CG GLN A 12 73.064 9.599 -13.348 1.00 0.00 C ATOM 204 CD GLN A 12 72.913 11.000 -13.944 1.00 0.00 C ATOM 205 OE1 GLN A 12 72.200 11.188 -14.910 1.00 0.00 O ATOM 206 NE2 GLN A 12 73.559 11.998 -13.405 1.00 0.00 N ATOM 0 H GLN A 12 73.742 7.703 -10.964 1.00 0.00 H new ATOM 0 HA GLN A 12 74.163 10.385 -11.266 1.00 0.00 H new ATOM 0 HB2 GLN A 12 71.875 8.556 -11.875 1.00 0.00 H new ATOM 0 HB3 GLN A 12 71.537 10.272 -11.974 1.00 0.00 H new ATOM 0 HG2 GLN A 12 74.119 9.361 -13.215 1.00 0.00 H new ATOM 0 HG3 GLN A 12 72.653 8.856 -14.031 1.00 0.00 H new ATOM 0 HE21 GLN A 12 74.157 11.840 -12.594 1.00 0.00 H new ATOM 0 HE22 GLN A 12 73.465 12.936 -13.795 1.00 0.00 H new ATOM 215 N GLU A 13 71.999 9.820 -8.871 1.00 0.00 N ATOM 216 CA GLU A 13 71.330 10.451 -7.710 1.00 0.00 C ATOM 217 C GLU A 13 72.325 10.488 -6.549 1.00 0.00 C ATOM 218 O GLU A 13 72.383 11.434 -5.790 1.00 0.00 O ATOM 219 CB GLU A 13 70.102 9.630 -7.312 1.00 0.00 C ATOM 220 CG GLU A 13 68.866 10.177 -8.029 1.00 0.00 C ATOM 221 CD GLU A 13 68.056 11.044 -7.063 1.00 0.00 C ATOM 222 OE1 GLU A 13 68.521 11.252 -5.954 1.00 0.00 O ATOM 223 OE2 GLU A 13 66.986 11.484 -7.449 1.00 0.00 O ATOM 0 H GLU A 13 71.910 8.805 -8.920 1.00 0.00 H new ATOM 0 HA GLU A 13 71.008 11.461 -7.963 1.00 0.00 H new ATOM 0 HB2 GLU A 13 70.252 8.582 -7.572 1.00 0.00 H new ATOM 0 HB3 GLU A 13 69.958 9.673 -6.232 1.00 0.00 H new ATOM 0 HG2 GLU A 13 69.166 10.764 -8.897 1.00 0.00 H new ATOM 0 HG3 GLU A 13 68.253 9.355 -8.397 1.00 0.00 H new ATOM 230 N PHE A 14 73.114 9.454 -6.417 1.00 0.00 N ATOM 231 CA PHE A 14 74.116 9.399 -5.327 1.00 0.00 C ATOM 232 C PHE A 14 75.413 10.069 -5.787 1.00 0.00 C ATOM 233 O PHE A 14 75.776 11.127 -5.313 1.00 0.00 O ATOM 234 CB PHE A 14 74.392 7.940 -4.967 1.00 0.00 C ATOM 235 CG PHE A 14 73.255 7.404 -4.131 1.00 0.00 C ATOM 236 CD1 PHE A 14 72.833 8.103 -2.994 1.00 0.00 C ATOM 237 CD2 PHE A 14 72.620 6.210 -4.493 1.00 0.00 C ATOM 238 CE1 PHE A 14 71.778 7.607 -2.219 1.00 0.00 C ATOM 239 CE2 PHE A 14 71.565 5.714 -3.719 1.00 0.00 C ATOM 240 CZ PHE A 14 71.144 6.412 -2.582 1.00 0.00 C ATOM 0 H PHE A 14 73.102 8.638 -7.029 1.00 0.00 H new ATOM 0 HA PHE A 14 73.732 9.924 -4.452 1.00 0.00 H new ATOM 0 HB2 PHE A 14 74.503 7.345 -5.874 1.00 0.00 H new ATOM 0 HB3 PHE A 14 75.330 7.861 -4.418 1.00 0.00 H new ATOM 0 HD1 PHE A 14 73.321 9.025 -2.715 1.00 0.00 H new ATOM 0 HD2 PHE A 14 72.945 5.671 -5.371 1.00 0.00 H new ATOM 0 HE1 PHE A 14 71.453 8.146 -1.341 1.00 0.00 H new ATOM 0 HE2 PHE A 14 71.076 4.793 -3.999 1.00 0.00 H new ATOM 0 HZ PHE A 14 70.330 6.029 -1.984 1.00 0.00 H new ATOM 250 N ALA A 15 76.119 9.466 -6.708 1.00 0.00 N ATOM 251 CA ALA A 15 77.388 10.085 -7.185 1.00 0.00 C ATOM 252 C ALA A 15 77.106 11.499 -7.681 1.00 0.00 C ATOM 253 O ALA A 15 76.304 11.707 -8.569 1.00 0.00 O ATOM 254 CB ALA A 15 77.974 9.266 -8.336 1.00 0.00 C ATOM 0 H ALA A 15 75.873 8.579 -7.147 1.00 0.00 H new ATOM 0 HA ALA A 15 78.099 10.111 -6.360 1.00 0.00 H new ATOM 0 HB1 ALA A 15 78.901 9.728 -8.676 1.00 0.00 H new ATOM 0 HB2 ALA A 15 78.178 8.252 -7.994 1.00 0.00 H new ATOM 0 HB3 ALA A 15 77.261 9.234 -9.160 1.00 0.00 H new ATOM 260 N ARG A 16 77.767 12.473 -7.127 1.00 0.00 N ATOM 261 CA ARG A 16 77.539 13.870 -7.585 1.00 0.00 C ATOM 262 C ARG A 16 78.553 14.203 -8.675 1.00 0.00 C ATOM 263 O ARG A 16 78.968 15.334 -8.834 1.00 0.00 O ATOM 264 CB ARG A 16 77.704 14.836 -6.410 1.00 0.00 C ATOM 265 CG ARG A 16 79.002 14.517 -5.665 1.00 0.00 C ATOM 266 CD ARG A 16 78.674 13.855 -4.326 1.00 0.00 C ATOM 267 NE ARG A 16 78.713 14.877 -3.243 1.00 0.00 N ATOM 268 CZ ARG A 16 78.961 14.517 -2.014 1.00 0.00 C ATOM 269 NH1 ARG A 16 78.668 13.309 -1.615 1.00 0.00 N ATOM 270 NH2 ARG A 16 79.502 15.365 -1.182 1.00 0.00 N ATOM 0 H ARG A 16 78.453 12.364 -6.380 1.00 0.00 H new ATOM 0 HA ARG A 16 76.528 13.968 -7.980 1.00 0.00 H new ATOM 0 HB2 ARG A 16 77.723 15.864 -6.771 1.00 0.00 H new ATOM 0 HB3 ARG A 16 76.854 14.751 -5.733 1.00 0.00 H new ATOM 0 HG2 ARG A 16 79.625 13.855 -6.266 1.00 0.00 H new ATOM 0 HG3 ARG A 16 79.573 15.431 -5.500 1.00 0.00 H new ATOM 0 HD2 ARG A 16 77.688 13.393 -4.369 1.00 0.00 H new ATOM 0 HD3 ARG A 16 79.390 13.060 -4.116 1.00 0.00 H new ATOM 0 HE ARG A 16 78.546 15.859 -3.463 1.00 0.00 H new ATOM 0 HH11 ARG A 16 78.245 12.646 -2.264 1.00 0.00 H new ATOM 0 HH12 ARG A 16 78.862 13.028 -0.654 1.00 0.00 H new ATOM 0 HH21 ARG A 16 79.731 16.309 -1.493 1.00 0.00 H new ATOM 0 HH22 ARG A 16 79.696 15.083 -0.221 1.00 0.00 H new ATOM 284 N PHE A 17 78.958 13.216 -9.420 1.00 0.00 N ATOM 285 CA PHE A 17 79.951 13.452 -10.500 1.00 0.00 C ATOM 286 C PHE A 17 80.129 12.159 -11.292 1.00 0.00 C ATOM 287 O PHE A 17 79.671 11.113 -10.876 1.00 0.00 O ATOM 288 CB PHE A 17 81.287 13.853 -9.866 1.00 0.00 C ATOM 289 CG PHE A 17 81.400 15.359 -9.828 1.00 0.00 C ATOM 290 CD1 PHE A 17 81.077 16.116 -10.960 1.00 0.00 C ATOM 291 CD2 PHE A 17 81.830 15.998 -8.659 1.00 0.00 C ATOM 292 CE1 PHE A 17 81.184 17.511 -10.924 1.00 0.00 C ATOM 293 CE2 PHE A 17 81.937 17.393 -8.622 1.00 0.00 C ATOM 294 CZ PHE A 17 81.613 18.150 -9.755 1.00 0.00 C ATOM 0 H PHE A 17 78.642 12.251 -9.327 1.00 0.00 H new ATOM 0 HA PHE A 17 79.609 14.246 -11.164 1.00 0.00 H new ATOM 0 HB2 PHE A 17 81.358 13.448 -8.857 1.00 0.00 H new ATOM 0 HB3 PHE A 17 82.113 13.431 -10.438 1.00 0.00 H new ATOM 0 HD1 PHE A 17 80.745 15.623 -11.862 1.00 0.00 H new ATOM 0 HD2 PHE A 17 82.079 15.414 -7.785 1.00 0.00 H new ATOM 0 HE1 PHE A 17 80.936 18.094 -11.798 1.00 0.00 H new ATOM 0 HE2 PHE A 17 82.269 17.886 -7.720 1.00 0.00 H new ATOM 0 HZ PHE A 17 81.694 19.227 -9.727 1.00 0.00 H new ATOM 304 N PRO A 18 80.807 12.262 -12.403 1.00 0.00 N ATOM 305 CA PRO A 18 81.083 11.103 -13.264 1.00 0.00 C ATOM 306 C PRO A 18 82.159 10.224 -12.620 1.00 0.00 C ATOM 307 O PRO A 18 82.562 9.215 -13.163 1.00 0.00 O ATOM 308 CB PRO A 18 81.570 11.733 -14.573 1.00 0.00 C ATOM 309 CG PRO A 18 82.064 13.153 -14.213 1.00 0.00 C ATOM 310 CD PRO A 18 81.364 13.537 -12.900 1.00 0.00 C ATOM 0 HA PRO A 18 80.221 10.455 -13.421 1.00 0.00 H new ATOM 0 HB2 PRO A 18 82.373 11.142 -15.014 1.00 0.00 H new ATOM 0 HB3 PRO A 18 80.765 11.776 -15.307 1.00 0.00 H new ATOM 0 HG2 PRO A 18 83.147 13.169 -14.094 1.00 0.00 H new ATOM 0 HG3 PRO A 18 81.820 13.861 -15.005 1.00 0.00 H new ATOM 0 HD2 PRO A 18 82.065 13.971 -12.187 1.00 0.00 H new ATOM 0 HD3 PRO A 18 80.581 14.276 -13.067 1.00 0.00 H new ATOM 318 N GLY A 19 82.615 10.598 -11.452 1.00 0.00 N ATOM 319 CA GLY A 19 83.650 9.792 -10.753 1.00 0.00 C ATOM 320 C GLY A 19 83.168 9.487 -9.331 1.00 0.00 C ATOM 321 O GLY A 19 83.809 8.764 -8.593 1.00 0.00 O ATOM 0 H GLY A 19 82.310 11.433 -10.953 1.00 0.00 H new ATOM 0 HA2 GLY A 19 83.835 8.865 -11.295 1.00 0.00 H new ATOM 0 HA3 GLY A 19 84.594 10.336 -10.722 1.00 0.00 H new ATOM 325 N ASP A 20 82.039 10.027 -8.938 1.00 0.00 N ATOM 326 CA ASP A 20 81.524 9.757 -7.572 1.00 0.00 C ATOM 327 C ASP A 20 80.619 8.533 -7.607 1.00 0.00 C ATOM 328 O ASP A 20 79.823 8.298 -6.720 1.00 0.00 O ATOM 329 CB ASP A 20 80.746 10.970 -7.058 1.00 0.00 C ATOM 330 CG ASP A 20 81.699 11.914 -6.322 1.00 0.00 C ATOM 331 OD1 ASP A 20 82.860 11.958 -6.693 1.00 0.00 O ATOM 332 OD2 ASP A 20 81.251 12.577 -5.402 1.00 0.00 O ATOM 0 H ASP A 20 81.458 10.641 -9.508 1.00 0.00 H new ATOM 0 HA ASP A 20 82.361 9.568 -6.900 1.00 0.00 H new ATOM 0 HB2 ASP A 20 80.272 11.491 -7.890 1.00 0.00 H new ATOM 0 HB3 ASP A 20 79.949 10.647 -6.389 1.00 0.00 H new ATOM 337 N THR A 21 80.756 7.750 -8.628 1.00 0.00 N ATOM 338 CA THR A 21 79.935 6.515 -8.762 1.00 0.00 C ATOM 339 C THR A 21 80.673 5.363 -8.085 1.00 0.00 C ATOM 340 O THR A 21 80.084 4.378 -7.686 1.00 0.00 O ATOM 341 CB THR A 21 79.734 6.193 -10.245 1.00 0.00 C ATOM 342 OG1 THR A 21 80.824 5.410 -10.710 1.00 0.00 O ATOM 343 CG2 THR A 21 79.660 7.493 -11.046 1.00 0.00 C ATOM 0 H THR A 21 81.412 7.911 -9.392 1.00 0.00 H new ATOM 0 HA THR A 21 78.962 6.661 -8.293 1.00 0.00 H new ATOM 0 HB THR A 21 78.805 5.637 -10.373 1.00 0.00 H new ATOM 0 HG1 THR A 21 80.696 5.202 -11.659 1.00 0.00 H new ATOM 0 HG21 THR A 21 79.517 7.262 -12.102 1.00 0.00 H new ATOM 0 HG22 THR A 21 78.823 8.093 -10.689 1.00 0.00 H new ATOM 0 HG23 THR A 21 80.587 8.052 -10.919 1.00 0.00 H new ATOM 351 N GLY A 22 81.962 5.491 -7.941 1.00 0.00 N ATOM 352 CA GLY A 22 82.751 4.418 -7.277 1.00 0.00 C ATOM 353 C GLY A 22 83.124 4.872 -5.866 1.00 0.00 C ATOM 354 O GLY A 22 83.776 4.163 -5.126 1.00 0.00 O ATOM 0 H GLY A 22 82.504 6.295 -8.256 1.00 0.00 H new ATOM 0 HA2 GLY A 22 82.171 3.496 -7.234 1.00 0.00 H new ATOM 0 HA3 GLY A 22 83.651 4.202 -7.853 1.00 0.00 H new ATOM 358 N SER A 23 82.713 6.055 -5.485 1.00 0.00 N ATOM 359 CA SER A 23 83.045 6.552 -4.120 1.00 0.00 C ATOM 360 C SER A 23 82.459 5.598 -3.077 1.00 0.00 C ATOM 361 O SER A 23 81.600 4.791 -3.374 1.00 0.00 O ATOM 362 CB SER A 23 82.449 7.947 -3.926 1.00 0.00 C ATOM 363 OG SER A 23 81.091 7.941 -4.344 1.00 0.00 O ATOM 0 H SER A 23 82.164 6.695 -6.059 1.00 0.00 H new ATOM 0 HA SER A 23 84.128 6.601 -4.003 1.00 0.00 H new ATOM 0 HB2 SER A 23 82.518 8.242 -2.879 1.00 0.00 H new ATOM 0 HB3 SER A 23 83.015 8.680 -4.501 1.00 0.00 H new ATOM 0 HG SER A 23 81.037 8.209 -5.285 1.00 0.00 H new ATOM 369 N THR A 24 82.914 5.682 -1.857 1.00 0.00 N ATOM 370 CA THR A 24 82.377 4.775 -0.804 1.00 0.00 C ATOM 371 C THR A 24 80.956 5.205 -0.438 1.00 0.00 C ATOM 372 O THR A 24 80.189 4.441 0.115 1.00 0.00 O ATOM 373 CB THR A 24 83.264 4.845 0.440 1.00 0.00 C ATOM 374 OG1 THR A 24 84.505 4.207 0.171 1.00 0.00 O ATOM 375 CG2 THR A 24 82.564 4.138 1.602 1.00 0.00 C ATOM 0 H THR A 24 83.631 6.337 -1.545 1.00 0.00 H new ATOM 0 HA THR A 24 82.365 3.753 -1.182 1.00 0.00 H new ATOM 0 HB THR A 24 83.443 5.887 0.705 1.00 0.00 H new ATOM 0 HG1 THR A 24 85.075 4.252 0.967 1.00 0.00 H new ATOM 0 HG21 THR A 24 83.194 4.186 2.490 1.00 0.00 H new ATOM 0 HG22 THR A 24 81.612 4.628 1.806 1.00 0.00 H new ATOM 0 HG23 THR A 24 82.386 3.095 1.340 1.00 0.00 H new ATOM 383 N GLU A 25 80.598 6.420 -0.741 1.00 0.00 N ATOM 384 CA GLU A 25 79.231 6.899 -0.415 1.00 0.00 C ATOM 385 C GLU A 25 78.218 6.190 -1.314 1.00 0.00 C ATOM 386 O GLU A 25 77.241 5.632 -0.854 1.00 0.00 O ATOM 387 CB GLU A 25 79.163 8.403 -0.665 1.00 0.00 C ATOM 388 CG GLU A 25 80.178 9.116 0.230 1.00 0.00 C ATOM 389 CD GLU A 25 80.734 10.338 -0.503 1.00 0.00 C ATOM 390 OE1 GLU A 25 79.939 11.096 -1.036 1.00 0.00 O ATOM 391 OE2 GLU A 25 81.942 10.496 -0.519 1.00 0.00 O ATOM 0 H GLU A 25 81.198 7.104 -1.203 1.00 0.00 H new ATOM 0 HA GLU A 25 79.002 6.685 0.629 1.00 0.00 H new ATOM 0 HB2 GLU A 25 79.372 8.618 -1.713 1.00 0.00 H new ATOM 0 HB3 GLU A 25 78.158 8.772 -0.459 1.00 0.00 H new ATOM 0 HG2 GLU A 25 79.704 9.422 1.163 1.00 0.00 H new ATOM 0 HG3 GLU A 25 80.988 8.436 0.492 1.00 0.00 H new ATOM 398 N VAL A 26 78.446 6.215 -2.597 1.00 0.00 N ATOM 399 CA VAL A 26 77.505 5.554 -3.541 1.00 0.00 C ATOM 400 C VAL A 26 77.364 4.073 -3.185 1.00 0.00 C ATOM 401 O VAL A 26 76.279 3.526 -3.205 1.00 0.00 O ATOM 402 CB VAL A 26 78.043 5.691 -4.966 1.00 0.00 C ATOM 403 CG1 VAL A 26 77.212 4.824 -5.913 1.00 0.00 C ATOM 404 CG2 VAL A 26 77.951 7.153 -5.404 1.00 0.00 C ATOM 0 H VAL A 26 79.249 6.668 -3.034 1.00 0.00 H new ATOM 0 HA VAL A 26 76.527 6.030 -3.470 1.00 0.00 H new ATOM 0 HB VAL A 26 79.083 5.365 -4.994 1.00 0.00 H new ATOM 0 HG11 VAL A 26 77.596 4.923 -6.928 1.00 0.00 H new ATOM 0 HG12 VAL A 26 77.274 3.781 -5.601 1.00 0.00 H new ATOM 0 HG13 VAL A 26 76.172 5.149 -5.886 1.00 0.00 H new ATOM 0 HG21 VAL A 26 78.334 7.253 -6.420 1.00 0.00 H new ATOM 0 HG22 VAL A 26 76.911 7.477 -5.375 1.00 0.00 H new ATOM 0 HG23 VAL A 26 78.543 7.773 -4.730 1.00 0.00 H new ATOM 414 N GLN A 27 78.443 3.415 -2.859 1.00 0.00 N ATOM 415 CA GLN A 27 78.341 1.974 -2.507 1.00 0.00 C ATOM 416 C GLN A 27 77.535 1.831 -1.220 1.00 0.00 C ATOM 417 O GLN A 27 76.688 0.971 -1.105 1.00 0.00 O ATOM 418 CB GLN A 27 79.740 1.381 -2.316 1.00 0.00 C ATOM 419 CG GLN A 27 80.476 2.143 -1.214 1.00 0.00 C ATOM 420 CD GLN A 27 81.841 1.497 -0.973 1.00 0.00 C ATOM 421 OE1 GLN A 27 82.202 1.212 0.152 1.00 0.00 O ATOM 422 NE2 GLN A 27 82.622 1.253 -1.991 1.00 0.00 N ATOM 0 H GLN A 27 79.383 3.810 -2.822 1.00 0.00 H new ATOM 0 HA GLN A 27 77.841 1.436 -3.313 1.00 0.00 H new ATOM 0 HB2 GLN A 27 79.666 0.325 -2.054 1.00 0.00 H new ATOM 0 HB3 GLN A 27 80.301 1.439 -3.249 1.00 0.00 H new ATOM 0 HG2 GLN A 27 80.601 3.187 -1.500 1.00 0.00 H new ATOM 0 HG3 GLN A 27 79.889 2.132 -0.295 1.00 0.00 H new ATOM 0 HE21 GLN A 27 82.319 1.492 -2.935 1.00 0.00 H new ATOM 0 HE22 GLN A 27 83.535 0.823 -1.842 1.00 0.00 H new ATOM 431 N VAL A 28 77.772 2.674 -0.256 1.00 0.00 N ATOM 432 CA VAL A 28 76.990 2.577 1.001 1.00 0.00 C ATOM 433 C VAL A 28 75.512 2.494 0.627 1.00 0.00 C ATOM 434 O VAL A 28 74.733 1.832 1.277 1.00 0.00 O ATOM 435 CB VAL A 28 77.244 3.819 1.861 1.00 0.00 C ATOM 436 CG1 VAL A 28 76.265 3.844 3.037 1.00 0.00 C ATOM 437 CG2 VAL A 28 78.678 3.780 2.397 1.00 0.00 C ATOM 0 H VAL A 28 78.468 3.419 -0.285 1.00 0.00 H new ATOM 0 HA VAL A 28 77.285 1.696 1.570 1.00 0.00 H new ATOM 0 HB VAL A 28 77.101 4.713 1.254 1.00 0.00 H new ATOM 0 HG11 VAL A 28 76.450 4.729 3.646 1.00 0.00 H new ATOM 0 HG12 VAL A 28 75.243 3.870 2.659 1.00 0.00 H new ATOM 0 HG13 VAL A 28 76.404 2.950 3.645 1.00 0.00 H new ATOM 0 HG21 VAL A 28 78.862 4.663 3.009 1.00 0.00 H new ATOM 0 HG22 VAL A 28 78.816 2.884 3.002 1.00 0.00 H new ATOM 0 HG23 VAL A 28 79.378 3.766 1.562 1.00 0.00 H new ATOM 447 N ALA A 29 75.119 3.143 -0.434 1.00 0.00 N ATOM 448 CA ALA A 29 73.697 3.067 -0.850 1.00 0.00 C ATOM 449 C ALA A 29 73.408 1.641 -1.302 1.00 0.00 C ATOM 450 O ALA A 29 72.407 1.056 -0.942 1.00 0.00 O ATOM 451 CB ALA A 29 73.435 4.041 -2.001 1.00 0.00 C ATOM 0 H ALA A 29 75.719 3.718 -1.025 1.00 0.00 H new ATOM 0 HA ALA A 29 73.049 3.336 -0.016 1.00 0.00 H new ATOM 0 HB1 ALA A 29 72.389 3.978 -2.300 1.00 0.00 H new ATOM 0 HB2 ALA A 29 73.659 5.057 -1.676 1.00 0.00 H new ATOM 0 HB3 ALA A 29 74.070 3.782 -2.848 1.00 0.00 H new ATOM 457 N LEU A 30 74.289 1.065 -2.073 1.00 0.00 N ATOM 458 CA LEU A 30 74.067 -0.328 -2.519 1.00 0.00 C ATOM 459 C LEU A 30 74.148 -1.245 -1.294 1.00 0.00 C ATOM 460 O LEU A 30 73.742 -2.390 -1.332 1.00 0.00 O ATOM 461 CB LEU A 30 75.127 -0.711 -3.566 1.00 0.00 C ATOM 462 CG LEU A 30 76.364 -1.317 -2.895 1.00 0.00 C ATOM 463 CD1 LEU A 30 76.238 -2.842 -2.876 1.00 0.00 C ATOM 464 CD2 LEU A 30 77.615 -0.921 -3.682 1.00 0.00 C ATOM 0 H LEU A 30 75.148 1.501 -2.409 1.00 0.00 H new ATOM 0 HA LEU A 30 73.085 -0.432 -2.982 1.00 0.00 H new ATOM 0 HB2 LEU A 30 74.705 -1.426 -4.272 1.00 0.00 H new ATOM 0 HB3 LEU A 30 75.414 0.171 -4.138 1.00 0.00 H new ATOM 0 HG LEU A 30 76.442 -0.945 -1.873 1.00 0.00 H new ATOM 0 HD11 LEU A 30 77.118 -3.274 -2.399 1.00 0.00 H new ATOM 0 HD12 LEU A 30 75.346 -3.126 -2.318 1.00 0.00 H new ATOM 0 HD13 LEU A 30 76.160 -3.213 -3.898 1.00 0.00 H new ATOM 0 HD21 LEU A 30 78.496 -1.351 -3.206 1.00 0.00 H new ATOM 0 HD22 LEU A 30 77.536 -1.294 -4.703 1.00 0.00 H new ATOM 0 HD23 LEU A 30 77.706 0.165 -3.699 1.00 0.00 H new ATOM 476 N LEU A 31 74.669 -0.740 -0.203 1.00 0.00 N ATOM 477 CA LEU A 31 74.772 -1.568 1.023 1.00 0.00 C ATOM 478 C LEU A 31 73.352 -1.835 1.523 1.00 0.00 C ATOM 479 O LEU A 31 73.055 -2.867 2.094 1.00 0.00 O ATOM 480 CB LEU A 31 75.596 -0.810 2.088 1.00 0.00 C ATOM 481 CG LEU A 31 74.671 -0.023 3.017 1.00 0.00 C ATOM 482 CD1 LEU A 31 74.150 -0.947 4.119 1.00 0.00 C ATOM 483 CD2 LEU A 31 75.432 1.142 3.650 1.00 0.00 C ATOM 0 H LEU A 31 75.026 0.211 -0.115 1.00 0.00 H new ATOM 0 HA LEU A 31 75.275 -2.513 0.818 1.00 0.00 H new ATOM 0 HB2 LEU A 31 76.189 -1.516 2.668 1.00 0.00 H new ATOM 0 HB3 LEU A 31 76.296 -0.131 1.600 1.00 0.00 H new ATOM 0 HG LEU A 31 73.834 0.369 2.438 1.00 0.00 H new ATOM 0 HD11 LEU A 31 73.490 -0.387 4.782 1.00 0.00 H new ATOM 0 HD12 LEU A 31 73.598 -1.773 3.671 1.00 0.00 H new ATOM 0 HD13 LEU A 31 74.990 -1.341 4.691 1.00 0.00 H new ATOM 0 HD21 LEU A 31 74.765 1.697 4.310 1.00 0.00 H new ATOM 0 HD22 LEU A 31 76.274 0.757 4.225 1.00 0.00 H new ATOM 0 HD23 LEU A 31 75.801 1.804 2.867 1.00 0.00 H new ATOM 495 N THR A 32 72.473 -0.894 1.302 1.00 0.00 N ATOM 496 CA THR A 32 71.064 -1.051 1.747 1.00 0.00 C ATOM 497 C THR A 32 70.370 -2.086 0.855 1.00 0.00 C ATOM 498 O THR A 32 69.684 -2.970 1.326 1.00 0.00 O ATOM 499 CB THR A 32 70.360 0.318 1.652 1.00 0.00 C ATOM 500 OG1 THR A 32 69.380 0.413 2.675 1.00 0.00 O ATOM 501 CG2 THR A 32 69.687 0.489 0.285 1.00 0.00 C ATOM 0 H THR A 32 72.677 -0.015 0.827 1.00 0.00 H new ATOM 0 HA THR A 32 71.021 -1.399 2.779 1.00 0.00 H new ATOM 0 HB THR A 32 71.105 1.104 1.773 1.00 0.00 H new ATOM 0 HG1 THR A 32 68.932 1.283 2.619 1.00 0.00 H new ATOM 0 HG21 THR A 32 69.197 1.461 0.240 1.00 0.00 H new ATOM 0 HG22 THR A 32 70.439 0.425 -0.501 1.00 0.00 H new ATOM 0 HG23 THR A 32 68.946 -0.298 0.143 1.00 0.00 H new ATOM 509 N LEU A 33 70.551 -1.978 -0.433 1.00 0.00 N ATOM 510 CA LEU A 33 69.910 -2.950 -1.360 1.00 0.00 C ATOM 511 C LEU A 33 70.345 -4.369 -0.988 1.00 0.00 C ATOM 512 O LEU A 33 69.529 -5.237 -0.753 1.00 0.00 O ATOM 513 CB LEU A 33 70.340 -2.644 -2.796 1.00 0.00 C ATOM 514 CG LEU A 33 69.104 -2.548 -3.689 1.00 0.00 C ATOM 515 CD1 LEU A 33 68.397 -3.904 -3.730 1.00 0.00 C ATOM 516 CD2 LEU A 33 68.150 -1.493 -3.125 1.00 0.00 C ATOM 0 H LEU A 33 71.116 -1.257 -0.883 1.00 0.00 H new ATOM 0 HA LEU A 33 68.826 -2.869 -1.281 1.00 0.00 H new ATOM 0 HB2 LEU A 33 70.898 -1.708 -2.828 1.00 0.00 H new ATOM 0 HB3 LEU A 33 71.006 -3.425 -3.162 1.00 0.00 H new ATOM 0 HG LEU A 33 69.405 -2.265 -4.698 1.00 0.00 H new ATOM 0 HD11 LEU A 33 67.515 -3.835 -4.367 1.00 0.00 H new ATOM 0 HD12 LEU A 33 69.076 -4.657 -4.130 1.00 0.00 H new ATOM 0 HD13 LEU A 33 68.095 -4.188 -2.722 1.00 0.00 H new ATOM 0 HD21 LEU A 33 67.268 -1.423 -3.761 1.00 0.00 H new ATOM 0 HD22 LEU A 33 67.849 -1.777 -2.117 1.00 0.00 H new ATOM 0 HD23 LEU A 33 68.653 -0.526 -3.095 1.00 0.00 H new ATOM 528 N ARG A 34 71.627 -4.612 -0.936 1.00 0.00 N ATOM 529 CA ARG A 34 72.116 -5.973 -0.581 1.00 0.00 C ATOM 530 C ARG A 34 71.488 -6.415 0.743 1.00 0.00 C ATOM 531 O ARG A 34 71.408 -7.590 1.042 1.00 0.00 O ATOM 532 CB ARG A 34 73.639 -5.946 -0.439 1.00 0.00 C ATOM 533 CG ARG A 34 74.268 -5.496 -1.759 1.00 0.00 C ATOM 534 CD ARG A 34 74.149 -6.619 -2.790 1.00 0.00 C ATOM 535 NE ARG A 34 74.756 -6.176 -4.078 1.00 0.00 N ATOM 536 CZ ARG A 34 74.096 -6.323 -5.194 1.00 0.00 C ATOM 537 NH1 ARG A 34 72.886 -5.847 -5.305 1.00 0.00 N ATOM 538 NH2 ARG A 34 74.647 -6.945 -6.201 1.00 0.00 N ATOM 0 H ARG A 34 72.357 -3.925 -1.125 1.00 0.00 H new ATOM 0 HA ARG A 34 71.836 -6.675 -1.366 1.00 0.00 H new ATOM 0 HB2 ARG A 34 73.928 -5.267 0.363 1.00 0.00 H new ATOM 0 HB3 ARG A 34 74.007 -6.935 -0.167 1.00 0.00 H new ATOM 0 HG2 ARG A 34 73.769 -4.598 -2.124 1.00 0.00 H new ATOM 0 HG3 ARG A 34 75.316 -5.238 -1.606 1.00 0.00 H new ATOM 0 HD2 ARG A 34 74.652 -7.515 -2.427 1.00 0.00 H new ATOM 0 HD3 ARG A 34 73.101 -6.880 -2.940 1.00 0.00 H new ATOM 0 HE ARG A 34 75.687 -5.758 -4.087 1.00 0.00 H new ATOM 0 HH11 ARG A 34 72.456 -5.360 -4.519 1.00 0.00 H new ATOM 0 HH12 ARG A 34 72.371 -5.962 -6.178 1.00 0.00 H new ATOM 0 HH21 ARG A 34 75.593 -7.316 -6.115 1.00 0.00 H new ATOM 0 HH22 ARG A 34 74.131 -7.060 -7.073 1.00 0.00 H new ATOM 552 N ILE A 35 71.039 -5.483 1.538 1.00 0.00 N ATOM 553 CA ILE A 35 70.419 -5.838 2.832 1.00 0.00 C ATOM 554 C ILE A 35 69.019 -6.396 2.568 1.00 0.00 C ATOM 555 O ILE A 35 68.644 -7.437 3.066 1.00 0.00 O ATOM 556 CB ILE A 35 70.359 -4.560 3.688 1.00 0.00 C ATOM 557 CG1 ILE A 35 71.385 -4.661 4.817 1.00 0.00 C ATOM 558 CG2 ILE A 35 68.968 -4.355 4.284 1.00 0.00 C ATOM 559 CD1 ILE A 35 72.676 -3.965 4.384 1.00 0.00 C ATOM 0 H ILE A 35 71.079 -4.483 1.339 1.00 0.00 H new ATOM 0 HA ILE A 35 70.994 -6.598 3.361 1.00 0.00 H new ATOM 0 HB ILE A 35 70.584 -3.707 3.047 1.00 0.00 H new ATOM 0 HG12 ILE A 35 70.994 -4.198 5.723 1.00 0.00 H new ATOM 0 HG13 ILE A 35 71.583 -5.707 5.053 1.00 0.00 H new ATOM 0 HG21 ILE A 35 68.959 -3.444 4.883 1.00 0.00 H new ATOM 0 HG22 ILE A 35 68.237 -4.268 3.480 1.00 0.00 H new ATOM 0 HG23 ILE A 35 68.713 -5.206 4.915 1.00 0.00 H new ATOM 0 HD11 ILE A 35 73.412 -4.033 5.185 1.00 0.00 H new ATOM 0 HD12 ILE A 35 73.067 -4.448 3.489 1.00 0.00 H new ATOM 0 HD13 ILE A 35 72.470 -2.916 4.169 1.00 0.00 H new ATOM 571 N ASN A 36 68.246 -5.693 1.791 1.00 0.00 N ATOM 572 CA ASN A 36 66.865 -6.156 1.485 1.00 0.00 C ATOM 573 C ASN A 36 66.912 -7.519 0.789 1.00 0.00 C ATOM 574 O ASN A 36 66.131 -8.402 1.086 1.00 0.00 O ATOM 575 CB ASN A 36 66.178 -5.140 0.569 1.00 0.00 C ATOM 576 CG ASN A 36 65.562 -4.024 1.416 1.00 0.00 C ATOM 577 OD1 ASN A 36 64.452 -4.151 1.896 1.00 0.00 O ATOM 578 ND2 ASN A 36 66.239 -2.928 1.620 1.00 0.00 N ATOM 0 H ASN A 36 68.513 -4.812 1.352 1.00 0.00 H new ATOM 0 HA ASN A 36 66.305 -6.249 2.416 1.00 0.00 H new ATOM 0 HB2 ASN A 36 66.899 -4.722 -0.134 1.00 0.00 H new ATOM 0 HB3 ASN A 36 65.405 -5.631 -0.022 1.00 0.00 H new ATOM 0 HD21 ASN A 36 65.837 -2.178 2.182 1.00 0.00 H new ATOM 0 HD22 ASN A 36 67.170 -2.821 1.217 1.00 0.00 H new ATOM 585 N ARG A 37 67.813 -7.701 -0.142 1.00 0.00 N ATOM 586 CA ARG A 37 67.889 -9.007 -0.850 1.00 0.00 C ATOM 587 C ARG A 37 68.720 -9.996 -0.043 1.00 0.00 C ATOM 588 O ARG A 37 69.061 -11.069 -0.500 1.00 0.00 O ATOM 589 CB ARG A 37 68.517 -8.811 -2.228 1.00 0.00 C ATOM 590 CG ARG A 37 67.421 -8.810 -3.296 1.00 0.00 C ATOM 591 CD ARG A 37 67.821 -7.874 -4.439 1.00 0.00 C ATOM 592 NE ARG A 37 67.967 -8.659 -5.697 1.00 0.00 N ATOM 593 CZ ARG A 37 67.632 -8.126 -6.840 1.00 0.00 C ATOM 594 NH1 ARG A 37 68.173 -7.001 -7.220 1.00 0.00 N ATOM 595 NH2 ARG A 37 66.756 -8.720 -7.603 1.00 0.00 N ATOM 0 H ARG A 37 68.495 -7.003 -0.439 1.00 0.00 H new ATOM 0 HA ARG A 37 66.881 -9.404 -0.965 1.00 0.00 H new ATOM 0 HB2 ARG A 37 69.068 -7.871 -2.257 1.00 0.00 H new ATOM 0 HB3 ARG A 37 69.234 -9.607 -2.429 1.00 0.00 H new ATOM 0 HG2 ARG A 37 67.268 -9.820 -3.676 1.00 0.00 H new ATOM 0 HG3 ARG A 37 66.475 -8.486 -2.861 1.00 0.00 H new ATOM 0 HD2 ARG A 37 67.067 -7.097 -4.568 1.00 0.00 H new ATOM 0 HD3 ARG A 37 68.758 -7.372 -4.201 1.00 0.00 H new ATOM 0 HE ARG A 37 68.329 -9.612 -5.665 1.00 0.00 H new ATOM 0 HH11 ARG A 37 68.858 -6.538 -6.623 1.00 0.00 H new ATOM 0 HH12 ARG A 37 67.911 -6.585 -8.114 1.00 0.00 H new ATOM 0 HH21 ARG A 37 66.334 -9.600 -7.306 1.00 0.00 H new ATOM 0 HH22 ARG A 37 66.493 -8.305 -8.497 1.00 0.00 H new ATOM 609 N LEU A 38 69.032 -9.641 1.157 1.00 0.00 N ATOM 610 CA LEU A 38 69.826 -10.538 2.033 1.00 0.00 C ATOM 611 C LEU A 38 68.873 -11.413 2.847 1.00 0.00 C ATOM 612 O LEU A 38 69.203 -12.514 3.241 1.00 0.00 O ATOM 613 CB LEU A 38 70.691 -9.702 2.978 1.00 0.00 C ATOM 614 CG LEU A 38 71.355 -10.619 4.006 1.00 0.00 C ATOM 615 CD1 LEU A 38 72.433 -11.460 3.321 1.00 0.00 C ATOM 616 CD2 LEU A 38 71.996 -9.770 5.107 1.00 0.00 C ATOM 0 H LEU A 38 68.768 -8.752 1.581 1.00 0.00 H new ATOM 0 HA LEU A 38 70.472 -11.169 1.423 1.00 0.00 H new ATOM 0 HB2 LEU A 38 71.450 -9.163 2.412 1.00 0.00 H new ATOM 0 HB3 LEU A 38 70.079 -8.955 3.483 1.00 0.00 H new ATOM 0 HG LEU A 38 70.604 -11.277 4.443 1.00 0.00 H new ATOM 0 HD11 LEU A 38 72.906 -12.113 4.055 1.00 0.00 H new ATOM 0 HD12 LEU A 38 71.979 -12.065 2.536 1.00 0.00 H new ATOM 0 HD13 LEU A 38 73.184 -10.802 2.883 1.00 0.00 H new ATOM 0 HD21 LEU A 38 72.470 -10.423 5.840 1.00 0.00 H new ATOM 0 HD22 LEU A 38 72.746 -9.112 4.669 1.00 0.00 H new ATOM 0 HD23 LEU A 38 71.229 -9.170 5.597 1.00 0.00 H new ATOM 628 N SER A 39 67.692 -10.921 3.107 1.00 0.00 N ATOM 629 CA SER A 39 66.708 -11.708 3.900 1.00 0.00 C ATOM 630 C SER A 39 66.152 -12.850 3.047 1.00 0.00 C ATOM 631 O SER A 39 65.676 -13.843 3.559 1.00 0.00 O ATOM 632 CB SER A 39 65.564 -10.790 4.336 1.00 0.00 C ATOM 633 OG SER A 39 64.500 -11.578 4.851 1.00 0.00 O ATOM 0 H SER A 39 67.366 -10.004 2.802 1.00 0.00 H new ATOM 0 HA SER A 39 67.199 -12.125 4.779 1.00 0.00 H new ATOM 0 HB2 SER A 39 65.913 -10.090 5.095 1.00 0.00 H new ATOM 0 HB3 SER A 39 65.216 -10.197 3.490 1.00 0.00 H new ATOM 0 HG SER A 39 63.766 -10.993 5.133 1.00 0.00 H new ATOM 639 N GLU A 40 66.207 -12.719 1.749 1.00 0.00 N ATOM 640 CA GLU A 40 65.680 -13.795 0.870 1.00 0.00 C ATOM 641 C GLU A 40 66.796 -14.775 0.535 1.00 0.00 C ATOM 642 O GLU A 40 66.734 -15.514 -0.427 1.00 0.00 O ATOM 643 CB GLU A 40 65.144 -13.184 -0.417 1.00 0.00 C ATOM 644 CG GLU A 40 63.625 -13.362 -0.479 1.00 0.00 C ATOM 645 CD GLU A 40 62.973 -12.041 -0.890 1.00 0.00 C ATOM 646 OE1 GLU A 40 62.868 -11.799 -2.081 1.00 0.00 O ATOM 647 OE2 GLU A 40 62.591 -11.292 -0.006 1.00 0.00 O ATOM 0 H GLU A 40 66.595 -11.911 1.262 1.00 0.00 H new ATOM 0 HA GLU A 40 64.877 -14.321 1.387 1.00 0.00 H new ATOM 0 HB2 GLU A 40 65.398 -12.125 -0.461 1.00 0.00 H new ATOM 0 HB3 GLU A 40 65.611 -13.660 -1.279 1.00 0.00 H new ATOM 0 HG2 GLU A 40 63.369 -14.144 -1.194 1.00 0.00 H new ATOM 0 HG3 GLU A 40 63.246 -13.681 0.492 1.00 0.00 H new ATOM 654 N HIS A 41 67.811 -14.777 1.330 1.00 0.00 N ATOM 655 CA HIS A 41 68.956 -15.694 1.095 1.00 0.00 C ATOM 656 C HIS A 41 68.679 -17.041 1.762 1.00 0.00 C ATOM 657 O HIS A 41 68.410 -18.027 1.106 1.00 0.00 O ATOM 658 CB HIS A 41 70.229 -15.085 1.687 1.00 0.00 C ATOM 659 CG HIS A 41 71.216 -14.818 0.584 1.00 0.00 C ATOM 660 ND1 HIS A 41 72.450 -15.447 0.530 1.00 0.00 N ATOM 661 CD2 HIS A 41 71.167 -13.994 -0.512 1.00 0.00 C ATOM 662 CE1 HIS A 41 73.087 -14.995 -0.566 1.00 0.00 C ATOM 663 NE2 HIS A 41 72.349 -14.107 -1.237 1.00 0.00 N ATOM 0 H HIS A 41 67.904 -14.175 2.148 1.00 0.00 H new ATOM 0 HA HIS A 41 69.087 -15.840 0.023 1.00 0.00 H new ATOM 0 HB2 HIS A 41 69.993 -14.159 2.210 1.00 0.00 H new ATOM 0 HB3 HIS A 41 70.663 -15.764 2.421 1.00 0.00 H new ATOM 0 HD2 HIS A 41 70.337 -13.355 -0.772 1.00 0.00 H new ATOM 0 HE1 HIS A 41 74.075 -15.312 -0.866 1.00 0.00 H new ATOM 0 HE2 HIS A 41 72.598 -13.617 -2.096 1.00 0.00 H new ATOM 671 N LEU A 42 68.749 -17.087 3.061 1.00 0.00 N ATOM 672 CA LEU A 42 68.499 -18.360 3.786 1.00 0.00 C ATOM 673 C LEU A 42 67.023 -18.757 3.660 1.00 0.00 C ATOM 674 O LEU A 42 66.618 -19.812 4.105 1.00 0.00 O ATOM 675 CB LEU A 42 68.843 -18.166 5.261 1.00 0.00 C ATOM 676 CG LEU A 42 70.070 -17.261 5.385 1.00 0.00 C ATOM 677 CD1 LEU A 42 69.628 -15.854 5.793 1.00 0.00 C ATOM 678 CD2 LEU A 42 71.014 -17.826 6.448 1.00 0.00 C ATOM 0 H LEU A 42 68.971 -16.289 3.657 1.00 0.00 H new ATOM 0 HA LEU A 42 69.117 -19.148 3.356 1.00 0.00 H new ATOM 0 HB2 LEU A 42 67.997 -17.724 5.787 1.00 0.00 H new ATOM 0 HB3 LEU A 42 69.041 -19.130 5.729 1.00 0.00 H new ATOM 0 HG LEU A 42 70.586 -17.216 4.426 1.00 0.00 H new ATOM 0 HD11 LEU A 42 70.502 -15.209 5.881 1.00 0.00 H new ATOM 0 HD12 LEU A 42 68.955 -15.451 5.037 1.00 0.00 H new ATOM 0 HD13 LEU A 42 69.112 -15.899 6.752 1.00 0.00 H new ATOM 0 HD21 LEU A 42 71.889 -17.182 6.537 1.00 0.00 H new ATOM 0 HD22 LEU A 42 70.497 -17.871 7.407 1.00 0.00 H new ATOM 0 HD23 LEU A 42 71.330 -18.828 6.159 1.00 0.00 H new ATOM 690 N LYS A 43 66.216 -17.922 3.059 1.00 0.00 N ATOM 691 CA LYS A 43 64.770 -18.257 2.909 1.00 0.00 C ATOM 692 C LYS A 43 64.558 -19.120 1.667 1.00 0.00 C ATOM 693 O LYS A 43 63.463 -19.255 1.158 1.00 0.00 O ATOM 694 CB LYS A 43 63.962 -16.971 2.774 1.00 0.00 C ATOM 695 CG LYS A 43 63.138 -16.747 4.044 1.00 0.00 C ATOM 696 CD LYS A 43 61.976 -15.800 3.739 1.00 0.00 C ATOM 697 CE LYS A 43 62.148 -14.506 4.535 1.00 0.00 C ATOM 698 NZ LYS A 43 62.246 -13.353 3.596 1.00 0.00 N ATOM 0 H LYS A 43 66.496 -17.023 2.666 1.00 0.00 H new ATOM 0 HA LYS A 43 64.440 -18.809 3.789 1.00 0.00 H new ATOM 0 HB2 LYS A 43 64.630 -16.126 2.608 1.00 0.00 H new ATOM 0 HB3 LYS A 43 63.304 -17.032 1.907 1.00 0.00 H new ATOM 0 HG2 LYS A 43 62.758 -17.698 4.416 1.00 0.00 H new ATOM 0 HG3 LYS A 43 63.767 -16.327 4.829 1.00 0.00 H new ATOM 0 HD2 LYS A 43 61.942 -15.581 2.672 1.00 0.00 H new ATOM 0 HD3 LYS A 43 61.029 -16.275 3.997 1.00 0.00 H new ATOM 0 HE2 LYS A 43 61.304 -14.367 5.211 1.00 0.00 H new ATOM 0 HE3 LYS A 43 63.045 -14.563 5.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 62.905 -12.646 3.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 62.595 -13.685 2.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 61.307 -12.922 3.476 1.00 0.00 H new ATOM 712 N VAL A 44 65.606 -19.701 1.193 1.00 0.00 N ATOM 713 CA VAL A 44 65.532 -20.572 -0.005 1.00 0.00 C ATOM 714 C VAL A 44 66.767 -21.475 -0.016 1.00 0.00 C ATOM 715 O VAL A 44 66.697 -22.644 -0.342 1.00 0.00 O ATOM 716 CB VAL A 44 65.515 -19.699 -1.259 1.00 0.00 C ATOM 717 CG1 VAL A 44 65.833 -20.553 -2.489 1.00 0.00 C ATOM 718 CG2 VAL A 44 64.129 -19.070 -1.422 1.00 0.00 C ATOM 0 H VAL A 44 66.540 -19.610 1.593 1.00 0.00 H new ATOM 0 HA VAL A 44 64.627 -21.180 0.016 1.00 0.00 H new ATOM 0 HB VAL A 44 66.265 -18.914 -1.161 1.00 0.00 H new ATOM 0 HG11 VAL A 44 65.820 -19.926 -3.381 1.00 0.00 H new ATOM 0 HG12 VAL A 44 66.820 -21.001 -2.375 1.00 0.00 H new ATOM 0 HG13 VAL A 44 65.086 -21.341 -2.588 1.00 0.00 H new ATOM 0 HG21 VAL A 44 64.115 -18.447 -2.316 1.00 0.00 H new ATOM 0 HG22 VAL A 44 63.381 -19.857 -1.517 1.00 0.00 H new ATOM 0 HG23 VAL A 44 63.903 -18.457 -0.549 1.00 0.00 H new ATOM 728 N HIS A 45 67.895 -20.934 0.355 1.00 0.00 N ATOM 729 CA HIS A 45 69.145 -21.735 0.392 1.00 0.00 C ATOM 730 C HIS A 45 68.861 -23.104 1.012 1.00 0.00 C ATOM 731 O HIS A 45 69.521 -24.080 0.715 1.00 0.00 O ATOM 732 CB HIS A 45 70.177 -20.987 1.240 1.00 0.00 C ATOM 733 CG HIS A 45 70.995 -20.085 0.357 1.00 0.00 C ATOM 734 ND1 HIS A 45 70.567 -19.698 -0.903 1.00 0.00 N ATOM 735 CD2 HIS A 45 72.217 -19.486 0.539 1.00 0.00 C ATOM 736 CE1 HIS A 45 71.516 -18.900 -1.426 1.00 0.00 C ATOM 737 NE2 HIS A 45 72.544 -18.738 -0.589 1.00 0.00 N ATOM 0 H HIS A 45 68.002 -19.960 0.637 1.00 0.00 H new ATOM 0 HA HIS A 45 69.527 -21.879 -0.619 1.00 0.00 H new ATOM 0 HB2 HIS A 45 69.675 -20.401 2.010 1.00 0.00 H new ATOM 0 HB3 HIS A 45 70.826 -21.697 1.752 1.00 0.00 H new ATOM 0 HD2 HIS A 45 72.831 -19.581 1.422 1.00 0.00 H new ATOM 0 HE1 HIS A 45 71.454 -18.446 -2.404 1.00 0.00 H new ATOM 0 HE2 HIS A 45 73.387 -18.185 -0.743 1.00 0.00 H new ATOM 745 N LYS A 46 67.883 -23.184 1.872 1.00 0.00 N ATOM 746 CA LYS A 46 67.555 -24.491 2.509 1.00 0.00 C ATOM 747 C LYS A 46 68.846 -25.168 2.978 1.00 0.00 C ATOM 748 O LYS A 46 68.934 -26.378 3.039 1.00 0.00 O ATOM 749 CB LYS A 46 66.847 -25.390 1.494 1.00 0.00 C ATOM 750 CG LYS A 46 65.335 -25.179 1.591 1.00 0.00 C ATOM 751 CD LYS A 46 64.676 -26.446 2.137 1.00 0.00 C ATOM 752 CE LYS A 46 65.121 -27.653 1.309 1.00 0.00 C ATOM 753 NZ LYS A 46 63.996 -28.624 1.199 1.00 0.00 N ATOM 0 H LYS A 46 67.297 -22.401 2.161 1.00 0.00 H new ATOM 0 HA LYS A 46 66.901 -24.324 3.365 1.00 0.00 H new ATOM 0 HB2 LYS A 46 67.193 -25.161 0.486 1.00 0.00 H new ATOM 0 HB3 LYS A 46 67.092 -26.435 1.685 1.00 0.00 H new ATOM 0 HG2 LYS A 46 65.116 -24.333 2.243 1.00 0.00 H new ATOM 0 HG3 LYS A 46 64.927 -24.939 0.609 1.00 0.00 H new ATOM 0 HD2 LYS A 46 64.949 -26.589 3.182 1.00 0.00 H new ATOM 0 HD3 LYS A 46 63.591 -26.348 2.102 1.00 0.00 H new ATOM 0 HE2 LYS A 46 65.435 -27.330 0.316 1.00 0.00 H new ATOM 0 HE3 LYS A 46 65.982 -28.130 1.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 64.299 -29.444 0.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 63.716 -28.941 2.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 63.186 -28.166 0.735 1.00 0.00 H new ATOM 767 N LYS A 47 69.845 -24.397 3.308 1.00 0.00 N ATOM 768 CA LYS A 47 71.128 -24.997 3.773 1.00 0.00 C ATOM 769 C LYS A 47 72.152 -23.887 4.013 1.00 0.00 C ATOM 770 O LYS A 47 73.331 -24.056 3.778 1.00 0.00 O ATOM 771 CB LYS A 47 71.659 -25.959 2.707 1.00 0.00 C ATOM 772 CG LYS A 47 71.882 -25.197 1.399 1.00 0.00 C ATOM 773 CD LYS A 47 73.254 -25.560 0.826 1.00 0.00 C ATOM 774 CE LYS A 47 73.079 -26.219 -0.542 1.00 0.00 C ATOM 775 NZ LYS A 47 73.838 -27.500 -0.578 1.00 0.00 N ATOM 0 H LYS A 47 69.829 -23.378 3.276 1.00 0.00 H new ATOM 0 HA LYS A 47 70.958 -25.542 4.701 1.00 0.00 H new ATOM 0 HB2 LYS A 47 72.593 -26.410 3.042 1.00 0.00 H new ATOM 0 HB3 LYS A 47 70.951 -26.772 2.550 1.00 0.00 H new ATOM 0 HG2 LYS A 47 71.099 -25.446 0.682 1.00 0.00 H new ATOM 0 HG3 LYS A 47 71.822 -24.123 1.576 1.00 0.00 H new ATOM 0 HD2 LYS A 47 73.869 -24.665 0.734 1.00 0.00 H new ATOM 0 HD3 LYS A 47 73.775 -26.237 1.503 1.00 0.00 H new ATOM 0 HE2 LYS A 47 72.022 -26.405 -0.735 1.00 0.00 H new ATOM 0 HE3 LYS A 47 73.434 -25.551 -1.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 73.719 -27.948 -1.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 74.847 -27.310 -0.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 73.479 -28.137 0.161 1.00 0.00 H new ATOM 789 N ASP A 48 71.711 -22.750 4.479 1.00 0.00 N ATOM 790 CA ASP A 48 72.660 -21.631 4.733 1.00 0.00 C ATOM 791 C ASP A 48 73.822 -22.131 5.594 1.00 0.00 C ATOM 792 O ASP A 48 74.975 -21.923 5.278 1.00 0.00 O ATOM 793 CB ASP A 48 71.933 -20.501 5.465 1.00 0.00 C ATOM 794 CG ASP A 48 71.106 -21.085 6.612 1.00 0.00 C ATOM 795 OD1 ASP A 48 69.956 -21.419 6.376 1.00 0.00 O ATOM 796 OD2 ASP A 48 71.636 -21.188 7.705 1.00 0.00 O ATOM 0 H ASP A 48 70.735 -22.549 4.694 1.00 0.00 H new ATOM 0 HA ASP A 48 73.045 -21.260 3.783 1.00 0.00 H new ATOM 0 HB2 ASP A 48 72.654 -19.781 5.852 1.00 0.00 H new ATOM 0 HB3 ASP A 48 71.285 -19.963 4.773 1.00 0.00 H new ATOM 801 N HIS A 49 73.525 -22.788 6.682 1.00 0.00 N ATOM 802 CA HIS A 49 74.613 -23.299 7.564 1.00 0.00 C ATOM 803 C HIS A 49 75.414 -22.120 8.118 1.00 0.00 C ATOM 804 O HIS A 49 75.121 -21.600 9.176 1.00 0.00 O ATOM 805 CB HIS A 49 75.539 -24.212 6.757 1.00 0.00 C ATOM 806 CG HIS A 49 75.046 -25.630 6.844 1.00 0.00 C ATOM 807 ND1 HIS A 49 74.174 -26.168 5.912 1.00 0.00 N ATOM 808 CD2 HIS A 49 75.296 -26.633 7.747 1.00 0.00 C ATOM 809 CE1 HIS A 49 73.931 -27.443 6.271 1.00 0.00 C ATOM 810 NE2 HIS A 49 74.591 -27.778 7.383 1.00 0.00 N ATOM 0 H HIS A 49 72.577 -22.993 6.998 1.00 0.00 H new ATOM 0 HA HIS A 49 74.178 -23.863 8.389 1.00 0.00 H new ATOM 0 HB2 HIS A 49 75.569 -23.889 5.716 1.00 0.00 H new ATOM 0 HB3 HIS A 49 76.557 -24.146 7.140 1.00 0.00 H new ATOM 0 HD1 HIS A 49 73.786 -25.686 5.101 1.00 0.00 H new ATOM 0 HD2 HIS A 49 75.941 -26.547 8.609 1.00 0.00 H new ATOM 0 HE1 HIS A 49 73.282 -28.113 5.726 1.00 0.00 H new ATOM 818 N HIS A 50 76.425 -21.694 7.412 1.00 0.00 N ATOM 819 CA HIS A 50 77.244 -20.547 7.898 1.00 0.00 C ATOM 820 C HIS A 50 77.172 -19.413 6.887 1.00 0.00 C ATOM 821 O HIS A 50 78.039 -18.565 6.809 1.00 0.00 O ATOM 822 CB HIS A 50 78.692 -20.991 8.051 1.00 0.00 C ATOM 823 CG HIS A 50 79.098 -20.905 9.496 1.00 0.00 C ATOM 824 ND1 HIS A 50 80.420 -20.753 9.885 1.00 0.00 N ATOM 825 CD2 HIS A 50 78.368 -20.947 10.658 1.00 0.00 C ATOM 826 CE1 HIS A 50 80.444 -20.710 11.229 1.00 0.00 C ATOM 827 NE2 HIS A 50 79.221 -20.825 11.751 1.00 0.00 N ATOM 0 H HIS A 50 76.720 -22.090 6.520 1.00 0.00 H new ATOM 0 HA HIS A 50 76.861 -20.206 8.860 1.00 0.00 H new ATOM 0 HB2 HIS A 50 78.809 -22.013 7.690 1.00 0.00 H new ATOM 0 HB3 HIS A 50 79.342 -20.362 7.443 1.00 0.00 H new ATOM 0 HD2 HIS A 50 77.295 -21.058 10.715 1.00 0.00 H new ATOM 0 HE1 HIS A 50 81.344 -20.596 11.815 1.00 0.00 H new ATOM 0 HE2 HIS A 50 78.966 -20.824 12.739 1.00 0.00 H new ATOM 835 N SER A 51 76.138 -19.406 6.118 1.00 0.00 N ATOM 836 CA SER A 51 75.964 -18.342 5.088 1.00 0.00 C ATOM 837 C SER A 51 76.351 -16.986 5.682 1.00 0.00 C ATOM 838 O SER A 51 75.597 -16.381 6.418 1.00 0.00 O ATOM 839 CB SER A 51 74.503 -18.301 4.639 1.00 0.00 C ATOM 840 OG SER A 51 74.247 -17.066 3.983 1.00 0.00 O ATOM 0 H SER A 51 75.389 -20.098 6.151 1.00 0.00 H new ATOM 0 HA SER A 51 76.603 -18.559 4.232 1.00 0.00 H new ATOM 0 HB2 SER A 51 74.294 -19.133 3.967 1.00 0.00 H new ATOM 0 HB3 SER A 51 73.843 -18.413 5.499 1.00 0.00 H new ATOM 0 HG SER A 51 73.311 -17.038 3.693 1.00 0.00 H new ATOM 846 N HIS A 52 77.523 -16.504 5.368 1.00 0.00 N ATOM 847 CA HIS A 52 77.959 -15.189 5.914 1.00 0.00 C ATOM 848 C HIS A 52 79.435 -14.962 5.578 1.00 0.00 C ATOM 849 O HIS A 52 80.180 -14.402 6.357 1.00 0.00 O ATOM 850 CB HIS A 52 77.774 -15.180 7.433 1.00 0.00 C ATOM 851 CG HIS A 52 76.668 -14.227 7.798 1.00 0.00 C ATOM 852 ND1 HIS A 52 75.673 -14.562 8.704 1.00 0.00 N ATOM 853 CD2 HIS A 52 76.387 -12.948 7.388 1.00 0.00 C ATOM 854 CE1 HIS A 52 74.848 -13.504 8.808 1.00 0.00 C ATOM 855 NE2 HIS A 52 75.236 -12.493 8.026 1.00 0.00 N ATOM 0 H HIS A 52 78.197 -16.965 4.757 1.00 0.00 H new ATOM 0 HA HIS A 52 77.359 -14.394 5.471 1.00 0.00 H new ATOM 0 HB2 HIS A 52 77.536 -16.183 7.787 1.00 0.00 H new ATOM 0 HB3 HIS A 52 78.702 -14.882 7.921 1.00 0.00 H new ATOM 0 HD2 HIS A 52 76.970 -12.380 6.678 1.00 0.00 H new ATOM 0 HE1 HIS A 52 73.977 -13.476 9.447 1.00 0.00 H new ATOM 0 HE2 HIS A 52 74.786 -11.584 7.919 1.00 0.00 H new ATOM 863 N ARG A 53 79.861 -15.394 4.423 1.00 0.00 N ATOM 864 CA ARG A 53 81.289 -15.205 4.037 1.00 0.00 C ATOM 865 C ARG A 53 81.711 -13.766 4.338 1.00 0.00 C ATOM 866 O ARG A 53 82.515 -13.515 5.214 1.00 0.00 O ATOM 867 CB ARG A 53 81.454 -15.484 2.542 1.00 0.00 C ATOM 868 CG ARG A 53 82.895 -15.186 2.124 1.00 0.00 C ATOM 869 CD ARG A 53 82.893 -14.313 0.868 1.00 0.00 C ATOM 870 NE ARG A 53 84.293 -14.117 0.398 1.00 0.00 N ATOM 871 CZ ARG A 53 84.724 -14.755 -0.656 1.00 0.00 C ATOM 872 NH1 ARG A 53 85.115 -15.995 -0.553 1.00 0.00 N ATOM 873 NH2 ARG A 53 84.761 -14.152 -1.814 1.00 0.00 N ATOM 0 H ARG A 53 79.283 -15.869 3.730 1.00 0.00 H new ATOM 0 HA ARG A 53 81.914 -15.893 4.605 1.00 0.00 H new ATOM 0 HB2 ARG A 53 81.209 -16.524 2.326 1.00 0.00 H new ATOM 0 HB3 ARG A 53 80.762 -14.868 1.968 1.00 0.00 H new ATOM 0 HG2 ARG A 53 83.421 -14.678 2.932 1.00 0.00 H new ATOM 0 HG3 ARG A 53 83.429 -16.117 1.932 1.00 0.00 H new ATOM 0 HD2 ARG A 53 82.298 -14.784 0.086 1.00 0.00 H new ATOM 0 HD3 ARG A 53 82.432 -13.349 1.083 1.00 0.00 H new ATOM 0 HE ARG A 53 84.915 -13.484 0.900 1.00 0.00 H new ATOM 0 HH11 ARG A 53 85.084 -16.466 0.351 1.00 0.00 H new ATOM 0 HH12 ARG A 53 85.452 -16.494 -1.377 1.00 0.00 H new ATOM 0 HH21 ARG A 53 84.453 -13.183 -1.894 1.00 0.00 H new ATOM 0 HH22 ARG A 53 85.098 -14.650 -2.638 1.00 0.00 H new ATOM 887 N GLY A 54 81.180 -12.818 3.616 1.00 0.00 N ATOM 888 CA GLY A 54 81.553 -11.396 3.861 1.00 0.00 C ATOM 889 C GLY A 54 80.314 -10.510 3.738 1.00 0.00 C ATOM 890 O GLY A 54 80.376 -9.409 3.226 1.00 0.00 O ATOM 0 H GLY A 54 80.504 -12.966 2.867 1.00 0.00 H new ATOM 0 HA2 GLY A 54 81.990 -11.291 4.854 1.00 0.00 H new ATOM 0 HA3 GLY A 54 82.311 -11.080 3.144 1.00 0.00 H new ATOM 894 N LEU A 55 79.185 -10.976 4.201 1.00 0.00 N ATOM 895 CA LEU A 55 77.951 -10.156 4.107 1.00 0.00 C ATOM 896 C LEU A 55 77.814 -9.295 5.360 1.00 0.00 C ATOM 897 O LEU A 55 76.727 -8.974 5.795 1.00 0.00 O ATOM 898 CB LEU A 55 76.731 -11.070 3.971 1.00 0.00 C ATOM 899 CG LEU A 55 76.538 -11.448 2.502 1.00 0.00 C ATOM 900 CD1 LEU A 55 76.047 -10.226 1.721 1.00 0.00 C ATOM 901 CD2 LEU A 55 77.870 -11.922 1.918 1.00 0.00 C ATOM 0 H LEU A 55 79.068 -11.889 4.640 1.00 0.00 H new ATOM 0 HA LEU A 55 78.012 -9.511 3.231 1.00 0.00 H new ATOM 0 HB2 LEU A 55 76.867 -11.968 4.574 1.00 0.00 H new ATOM 0 HB3 LEU A 55 75.841 -10.565 4.348 1.00 0.00 H new ATOM 0 HG LEU A 55 75.802 -12.248 2.427 1.00 0.00 H new ATOM 0 HD11 LEU A 55 75.909 -10.495 0.674 1.00 0.00 H new ATOM 0 HD12 LEU A 55 75.098 -9.886 2.136 1.00 0.00 H new ATOM 0 HD13 LEU A 55 76.784 -9.426 1.796 1.00 0.00 H new ATOM 0 HD21 LEU A 55 77.733 -12.192 0.871 1.00 0.00 H new ATOM 0 HD22 LEU A 55 78.606 -11.121 1.993 1.00 0.00 H new ATOM 0 HD23 LEU A 55 78.222 -12.791 2.473 1.00 0.00 H new ATOM 913 N LEU A 56 78.916 -8.922 5.940 1.00 0.00 N ATOM 914 CA LEU A 56 78.880 -8.087 7.158 1.00 0.00 C ATOM 915 C LEU A 56 79.342 -6.674 6.816 1.00 0.00 C ATOM 916 O LEU A 56 78.801 -5.694 7.289 1.00 0.00 O ATOM 917 CB LEU A 56 79.820 -8.694 8.194 1.00 0.00 C ATOM 918 CG LEU A 56 79.223 -9.999 8.717 1.00 0.00 C ATOM 919 CD1 LEU A 56 80.201 -10.655 9.693 1.00 0.00 C ATOM 920 CD2 LEU A 56 77.904 -9.704 9.437 1.00 0.00 C ATOM 0 H LEU A 56 79.851 -9.166 5.614 1.00 0.00 H new ATOM 0 HA LEU A 56 77.866 -8.047 7.555 1.00 0.00 H new ATOM 0 HB2 LEU A 56 80.797 -8.881 7.749 1.00 0.00 H new ATOM 0 HB3 LEU A 56 79.972 -7.995 9.017 1.00 0.00 H new ATOM 0 HG LEU A 56 79.039 -10.674 7.881 1.00 0.00 H new ATOM 0 HD11 LEU A 56 79.774 -11.586 10.065 1.00 0.00 H new ATOM 0 HD12 LEU A 56 81.140 -10.866 9.181 1.00 0.00 H new ATOM 0 HD13 LEU A 56 80.387 -9.981 10.529 1.00 0.00 H new ATOM 0 HD21 LEU A 56 77.477 -10.635 9.811 1.00 0.00 H new ATOM 0 HD22 LEU A 56 78.089 -9.029 10.272 1.00 0.00 H new ATOM 0 HD23 LEU A 56 77.206 -9.238 8.741 1.00 0.00 H new ATOM 932 N MET A 57 80.343 -6.570 5.997 1.00 0.00 N ATOM 933 CA MET A 57 80.864 -5.232 5.605 1.00 0.00 C ATOM 934 C MET A 57 79.698 -4.320 5.218 1.00 0.00 C ATOM 935 O MET A 57 79.604 -3.193 5.663 1.00 0.00 O ATOM 936 CB MET A 57 81.810 -5.389 4.411 1.00 0.00 C ATOM 937 CG MET A 57 82.985 -4.420 4.558 1.00 0.00 C ATOM 938 SD MET A 57 84.438 -5.105 3.724 1.00 0.00 S ATOM 939 CE MET A 57 85.523 -3.675 3.944 1.00 0.00 C ATOM 0 H MET A 57 80.830 -7.361 5.576 1.00 0.00 H new ATOM 0 HA MET A 57 81.403 -4.790 6.443 1.00 0.00 H new ATOM 0 HB2 MET A 57 82.176 -6.414 4.356 1.00 0.00 H new ATOM 0 HB3 MET A 57 81.276 -5.191 3.482 1.00 0.00 H new ATOM 0 HG2 MET A 57 82.728 -3.452 4.128 1.00 0.00 H new ATOM 0 HG3 MET A 57 83.203 -4.253 5.613 1.00 0.00 H new ATOM 0 HE1 MET A 57 86.494 -3.883 3.495 1.00 0.00 H new ATOM 0 HE2 MET A 57 85.079 -2.804 3.462 1.00 0.00 H new ATOM 0 HE3 MET A 57 85.650 -3.475 5.008 1.00 0.00 H new ATOM 949 N MET A 58 78.809 -4.796 4.389 1.00 0.00 N ATOM 950 CA MET A 58 77.653 -3.955 3.973 1.00 0.00 C ATOM 951 C MET A 58 76.853 -3.535 5.208 1.00 0.00 C ATOM 952 O MET A 58 76.460 -2.393 5.346 1.00 0.00 O ATOM 953 CB MET A 58 76.752 -4.757 3.031 1.00 0.00 C ATOM 954 CG MET A 58 76.043 -5.861 3.818 1.00 0.00 C ATOM 955 SD MET A 58 75.193 -6.970 2.669 1.00 0.00 S ATOM 956 CE MET A 58 74.344 -7.976 3.910 1.00 0.00 C ATOM 0 H MET A 58 78.834 -5.731 3.982 1.00 0.00 H new ATOM 0 HA MET A 58 78.019 -3.066 3.459 1.00 0.00 H new ATOM 0 HB2 MET A 58 76.018 -4.099 2.565 1.00 0.00 H new ATOM 0 HB3 MET A 58 77.345 -5.193 2.227 1.00 0.00 H new ATOM 0 HG2 MET A 58 76.766 -6.420 4.412 1.00 0.00 H new ATOM 0 HG3 MET A 58 75.328 -5.424 4.515 1.00 0.00 H new ATOM 0 HE1 MET A 58 73.640 -8.646 3.416 1.00 0.00 H new ATOM 0 HE2 MET A 58 75.076 -8.563 4.465 1.00 0.00 H new ATOM 0 HE3 MET A 58 73.804 -7.326 4.598 1.00 0.00 H new ATOM 966 N VAL A 59 76.605 -4.448 6.106 1.00 0.00 N ATOM 967 CA VAL A 59 75.829 -4.102 7.328 1.00 0.00 C ATOM 968 C VAL A 59 76.653 -3.161 8.210 1.00 0.00 C ATOM 969 O VAL A 59 76.129 -2.499 9.084 1.00 0.00 O ATOM 970 CB VAL A 59 75.508 -5.379 8.107 1.00 0.00 C ATOM 971 CG1 VAL A 59 74.575 -5.044 9.272 1.00 0.00 C ATOM 972 CG2 VAL A 59 74.820 -6.383 7.178 1.00 0.00 C ATOM 0 H VAL A 59 76.907 -5.420 6.045 1.00 0.00 H new ATOM 0 HA VAL A 59 74.901 -3.608 7.039 1.00 0.00 H new ATOM 0 HB VAL A 59 76.431 -5.812 8.492 1.00 0.00 H new ATOM 0 HG11 VAL A 59 74.346 -5.953 9.828 1.00 0.00 H new ATOM 0 HG12 VAL A 59 75.062 -4.328 9.934 1.00 0.00 H new ATOM 0 HG13 VAL A 59 73.652 -4.612 8.886 1.00 0.00 H new ATOM 0 HG21 VAL A 59 74.591 -7.293 7.732 1.00 0.00 H new ATOM 0 HG22 VAL A 59 73.897 -5.950 6.794 1.00 0.00 H new ATOM 0 HG23 VAL A 59 75.482 -6.622 6.346 1.00 0.00 H new ATOM 982 N GLY A 60 77.938 -3.099 7.991 1.00 0.00 N ATOM 983 CA GLY A 60 78.792 -2.203 8.822 1.00 0.00 C ATOM 984 C GLY A 60 78.939 -0.845 8.132 1.00 0.00 C ATOM 985 O GLY A 60 79.576 0.054 8.643 1.00 0.00 O ATOM 0 H GLY A 60 78.433 -3.629 7.274 1.00 0.00 H new ATOM 0 HA2 GLY A 60 78.348 -2.074 9.809 1.00 0.00 H new ATOM 0 HA3 GLY A 60 79.773 -2.654 8.970 1.00 0.00 H new ATOM 989 N GLN A 61 78.358 -0.689 6.975 1.00 0.00 N ATOM 990 CA GLN A 61 78.467 0.607 6.256 1.00 0.00 C ATOM 991 C GLN A 61 77.295 1.503 6.632 1.00 0.00 C ATOM 992 O GLN A 61 76.946 2.431 5.932 1.00 0.00 O ATOM 993 CB GLN A 61 78.448 0.358 4.755 1.00 0.00 C ATOM 994 CG GLN A 61 79.803 0.728 4.153 1.00 0.00 C ATOM 995 CD GLN A 61 80.732 -0.487 4.198 1.00 0.00 C ATOM 996 OE1 GLN A 61 80.987 -1.033 5.254 1.00 0.00 O ATOM 997 NE2 GLN A 61 81.252 -0.938 3.089 1.00 0.00 N ATOM 0 H GLN A 61 77.812 -1.406 6.497 1.00 0.00 H new ATOM 0 HA GLN A 61 79.401 1.095 6.535 1.00 0.00 H new ATOM 0 HB2 GLN A 61 78.224 -0.689 4.553 1.00 0.00 H new ATOM 0 HB3 GLN A 61 77.659 0.948 4.289 1.00 0.00 H new ATOM 0 HG2 GLN A 61 79.676 1.064 3.124 1.00 0.00 H new ATOM 0 HG3 GLN A 61 80.244 1.557 4.706 1.00 0.00 H new ATOM 0 HE21 GLN A 61 81.039 -0.481 2.203 1.00 0.00 H new ATOM 0 HE22 GLN A 61 81.872 -1.748 3.109 1.00 0.00 H new ATOM 1006 N ARG A 62 76.698 1.223 7.741 1.00 0.00 N ATOM 1007 CA ARG A 62 75.541 2.039 8.205 1.00 0.00 C ATOM 1008 C ARG A 62 75.467 1.987 9.728 1.00 0.00 C ATOM 1009 O ARG A 62 75.257 2.986 10.387 1.00 0.00 O ATOM 1010 CB ARG A 62 74.247 1.481 7.608 1.00 0.00 C ATOM 1011 CG ARG A 62 73.306 2.635 7.257 1.00 0.00 C ATOM 1012 CD ARG A 62 72.497 2.271 6.012 1.00 0.00 C ATOM 1013 NE ARG A 62 72.058 0.850 6.104 1.00 0.00 N ATOM 1014 CZ ARG A 62 71.468 0.418 7.184 1.00 0.00 C ATOM 1015 NH1 ARG A 62 70.592 1.169 7.793 1.00 0.00 N ATOM 1016 NH2 ARG A 62 71.754 -0.765 7.655 1.00 0.00 N ATOM 0 H ARG A 62 76.959 0.456 8.360 1.00 0.00 H new ATOM 0 HA ARG A 62 75.669 3.072 7.881 1.00 0.00 H new ATOM 0 HB2 ARG A 62 74.469 0.895 6.716 1.00 0.00 H new ATOM 0 HB3 ARG A 62 73.766 0.809 8.319 1.00 0.00 H new ATOM 0 HG2 ARG A 62 72.636 2.839 8.092 1.00 0.00 H new ATOM 0 HG3 ARG A 62 73.879 3.545 7.078 1.00 0.00 H new ATOM 0 HD2 ARG A 62 71.630 2.926 5.924 1.00 0.00 H new ATOM 0 HD3 ARG A 62 73.101 2.419 5.117 1.00 0.00 H new ATOM 0 HE ARG A 62 72.219 0.215 5.322 1.00 0.00 H new ATOM 0 HH11 ARG A 62 70.369 2.094 7.424 1.00 0.00 H new ATOM 0 HH12 ARG A 62 70.130 0.832 8.638 1.00 0.00 H new ATOM 0 HH21 ARG A 62 72.439 -1.352 7.179 1.00 0.00 H new ATOM 0 HH22 ARG A 62 71.293 -1.103 8.500 1.00 0.00 H new ATOM 1030 N ARG A 63 75.647 0.830 10.287 1.00 0.00 N ATOM 1031 CA ARG A 63 75.598 0.701 11.767 1.00 0.00 C ATOM 1032 C ARG A 63 76.693 1.575 12.381 1.00 0.00 C ATOM 1033 O ARG A 63 76.690 1.856 13.564 1.00 0.00 O ATOM 1034 CB ARG A 63 75.829 -0.761 12.160 1.00 0.00 C ATOM 1035 CG ARG A 63 74.669 -1.246 13.031 1.00 0.00 C ATOM 1036 CD ARG A 63 75.081 -1.200 14.503 1.00 0.00 C ATOM 1037 NE ARG A 63 73.904 -0.828 15.338 1.00 0.00 N ATOM 1038 CZ ARG A 63 73.995 -0.847 16.639 1.00 0.00 C ATOM 1039 NH1 ARG A 63 74.440 0.201 17.278 1.00 0.00 N ATOM 1040 NH2 ARG A 63 73.642 -1.915 17.302 1.00 0.00 N ATOM 0 H ARG A 63 75.827 -0.038 9.782 1.00 0.00 H new ATOM 0 HA ARG A 63 74.623 1.022 12.133 1.00 0.00 H new ATOM 0 HB2 ARG A 63 75.910 -1.380 11.267 1.00 0.00 H new ATOM 0 HB3 ARG A 63 76.770 -0.858 12.702 1.00 0.00 H new ATOM 0 HG2 ARG A 63 73.792 -0.620 12.868 1.00 0.00 H new ATOM 0 HG3 ARG A 63 74.391 -2.262 12.752 1.00 0.00 H new ATOM 0 HD2 ARG A 63 75.468 -2.170 14.814 1.00 0.00 H new ATOM 0 HD3 ARG A 63 75.884 -0.476 14.644 1.00 0.00 H new ATOM 0 HE ARG A 63 73.027 -0.558 14.892 1.00 0.00 H new ATOM 0 HH11 ARG A 63 74.717 1.035 16.760 1.00 0.00 H new ATOM 0 HH12 ARG A 63 74.511 0.186 18.295 1.00 0.00 H new ATOM 0 HH21 ARG A 63 73.295 -2.734 16.803 1.00 0.00 H new ATOM 0 HH22 ARG A 63 73.713 -1.930 18.319 1.00 0.00 H new ATOM 1054 N ARG A 64 77.628 2.009 11.581 1.00 0.00 N ATOM 1055 CA ARG A 64 78.722 2.867 12.103 1.00 0.00 C ATOM 1056 C ARG A 64 79.475 3.495 10.927 1.00 0.00 C ATOM 1057 O ARG A 64 80.683 3.616 10.945 1.00 0.00 O ATOM 1058 CB ARG A 64 79.687 2.017 12.933 1.00 0.00 C ATOM 1059 CG ARG A 64 79.167 1.905 14.367 1.00 0.00 C ATOM 1060 CD ARG A 64 80.334 1.616 15.312 1.00 0.00 C ATOM 1061 NE ARG A 64 81.144 0.490 14.771 1.00 0.00 N ATOM 1062 CZ ARG A 64 80.711 -0.736 14.876 1.00 0.00 C ATOM 1063 NH1 ARG A 64 80.504 -1.255 16.055 1.00 0.00 N ATOM 1064 NH2 ARG A 64 80.483 -1.442 13.803 1.00 0.00 N ATOM 0 H ARG A 64 77.679 1.803 10.583 1.00 0.00 H new ATOM 0 HA ARG A 64 78.303 3.653 12.731 1.00 0.00 H new ATOM 0 HB2 ARG A 64 79.785 1.025 12.492 1.00 0.00 H new ATOM 0 HB3 ARG A 64 80.680 2.467 12.929 1.00 0.00 H new ATOM 0 HG2 ARG A 64 78.670 2.830 14.658 1.00 0.00 H new ATOM 0 HG3 ARG A 64 78.425 1.110 14.435 1.00 0.00 H new ATOM 0 HD2 ARG A 64 80.955 2.505 15.422 1.00 0.00 H new ATOM 0 HD3 ARG A 64 79.959 1.364 16.304 1.00 0.00 H new ATOM 0 HE ARG A 64 82.038 0.677 14.318 1.00 0.00 H new ATOM 0 HH11 ARG A 64 80.681 -0.702 16.894 1.00 0.00 H new ATOM 0 HH12 ARG A 64 80.165 -2.214 16.138 1.00 0.00 H new ATOM 0 HH21 ARG A 64 80.643 -1.035 12.881 1.00 0.00 H new ATOM 0 HH22 ARG A 64 80.144 -2.401 13.886 1.00 0.00 H new ATOM 1078 N LEU A 65 78.769 3.891 9.902 1.00 0.00 N ATOM 1079 CA LEU A 65 79.441 4.508 8.725 1.00 0.00 C ATOM 1080 C LEU A 65 80.146 5.795 9.155 1.00 0.00 C ATOM 1081 O LEU A 65 81.012 6.300 8.470 1.00 0.00 O ATOM 1082 CB LEU A 65 78.398 4.832 7.653 1.00 0.00 C ATOM 1083 CG LEU A 65 79.035 5.698 6.564 1.00 0.00 C ATOM 1084 CD1 LEU A 65 80.076 4.875 5.803 1.00 0.00 C ATOM 1085 CD2 LEU A 65 77.952 6.170 5.592 1.00 0.00 C ATOM 0 H LEU A 65 77.755 3.813 9.830 1.00 0.00 H new ATOM 0 HA LEU A 65 80.174 3.811 8.320 1.00 0.00 H new ATOM 0 HB2 LEU A 65 78.010 3.911 7.219 1.00 0.00 H new ATOM 0 HB3 LEU A 65 77.552 5.355 8.100 1.00 0.00 H new ATOM 0 HG LEU A 65 79.517 6.562 7.022 1.00 0.00 H new ATOM 0 HD11 LEU A 65 80.530 5.491 5.027 1.00 0.00 H new ATOM 0 HD12 LEU A 65 80.847 4.535 6.494 1.00 0.00 H new ATOM 0 HD13 LEU A 65 79.593 4.012 5.345 1.00 0.00 H new ATOM 0 HD21 LEU A 65 78.404 6.787 4.815 1.00 0.00 H new ATOM 0 HD22 LEU A 65 77.472 5.305 5.134 1.00 0.00 H new ATOM 0 HD23 LEU A 65 77.208 6.755 6.133 1.00 0.00 H new ATOM 1097 N LEU A 66 79.780 6.328 10.286 1.00 0.00 N ATOM 1098 CA LEU A 66 80.426 7.583 10.765 1.00 0.00 C ATOM 1099 C LEU A 66 81.940 7.377 10.859 1.00 0.00 C ATOM 1100 O LEU A 66 82.700 8.322 10.933 1.00 0.00 O ATOM 1101 CB LEU A 66 79.875 7.943 12.146 1.00 0.00 C ATOM 1102 CG LEU A 66 78.516 8.627 11.992 1.00 0.00 C ATOM 1103 CD1 LEU A 66 77.406 7.661 12.409 1.00 0.00 C ATOM 1104 CD2 LEU A 66 78.469 9.870 12.884 1.00 0.00 C ATOM 0 H LEU A 66 79.060 5.949 10.901 1.00 0.00 H new ATOM 0 HA LEU A 66 80.213 8.391 10.065 1.00 0.00 H new ATOM 0 HB2 LEU A 66 79.775 7.044 12.754 1.00 0.00 H new ATOM 0 HB3 LEU A 66 80.569 8.603 12.665 1.00 0.00 H new ATOM 0 HG LEU A 66 78.372 8.917 10.951 1.00 0.00 H new ATOM 0 HD11 LEU A 66 76.438 8.150 12.299 1.00 0.00 H new ATOM 0 HD12 LEU A 66 77.439 6.774 11.776 1.00 0.00 H new ATOM 0 HD13 LEU A 66 77.549 7.370 13.450 1.00 0.00 H new ATOM 0 HD21 LEU A 66 77.501 10.359 12.776 1.00 0.00 H new ATOM 0 HD22 LEU A 66 78.613 9.577 13.924 1.00 0.00 H new ATOM 0 HD23 LEU A 66 79.259 10.560 12.588 1.00 0.00 H new ATOM 1116 N ARG A 67 82.383 6.150 10.862 1.00 0.00 N ATOM 1117 CA ARG A 67 83.839 5.882 10.958 1.00 0.00 C ATOM 1118 C ARG A 67 84.424 5.691 9.556 1.00 0.00 C ATOM 1119 O ARG A 67 85.418 5.015 9.376 1.00 0.00 O ATOM 1120 CB ARG A 67 84.073 4.616 11.785 1.00 0.00 C ATOM 1121 CG ARG A 67 83.620 3.392 10.985 1.00 0.00 C ATOM 1122 CD ARG A 67 84.828 2.506 10.677 1.00 0.00 C ATOM 1123 NE ARG A 67 84.578 1.130 11.191 1.00 0.00 N ATOM 1124 CZ ARG A 67 85.356 0.625 12.110 1.00 0.00 C ATOM 1125 NH1 ARG A 67 86.653 0.704 11.982 1.00 0.00 N ATOM 1126 NH2 ARG A 67 84.837 0.039 13.154 1.00 0.00 N ATOM 0 H ARG A 67 81.793 5.320 10.802 1.00 0.00 H new ATOM 0 HA ARG A 67 84.329 6.728 11.440 1.00 0.00 H new ATOM 0 HB2 ARG A 67 85.129 4.526 12.041 1.00 0.00 H new ATOM 0 HB3 ARG A 67 83.522 4.675 12.723 1.00 0.00 H new ATOM 0 HG2 ARG A 67 82.878 2.829 11.551 1.00 0.00 H new ATOM 0 HG3 ARG A 67 83.142 3.707 10.058 1.00 0.00 H new ATOM 0 HD2 ARG A 67 85.007 2.477 9.602 1.00 0.00 H new ATOM 0 HD3 ARG A 67 85.724 2.921 11.138 1.00 0.00 H new ATOM 0 HE ARG A 67 83.799 0.583 10.825 1.00 0.00 H new ATOM 0 HH11 ARG A 67 87.058 1.160 11.164 1.00 0.00 H new ATOM 0 HH12 ARG A 67 87.261 0.310 12.700 1.00 0.00 H new ATOM 0 HH21 ARG A 67 83.824 -0.025 13.252 1.00 0.00 H new ATOM 0 HH22 ARG A 67 85.445 -0.356 13.872 1.00 0.00 H new ATOM 1140 N TYR A 68 83.819 6.280 8.563 1.00 0.00 N ATOM 1141 CA TYR A 68 84.339 6.134 7.182 1.00 0.00 C ATOM 1142 C TYR A 68 84.387 7.507 6.511 1.00 0.00 C ATOM 1143 O TYR A 68 85.410 8.161 6.483 1.00 0.00 O ATOM 1144 CB TYR A 68 83.419 5.208 6.383 1.00 0.00 C ATOM 1145 CG TYR A 68 83.961 3.799 6.418 1.00 0.00 C ATOM 1146 CD1 TYR A 68 85.280 3.546 6.023 1.00 0.00 C ATOM 1147 CD2 TYR A 68 83.144 2.745 6.844 1.00 0.00 C ATOM 1148 CE1 TYR A 68 85.782 2.239 6.054 1.00 0.00 C ATOM 1149 CE2 TYR A 68 83.645 1.439 6.875 1.00 0.00 C ATOM 1150 CZ TYR A 68 84.964 1.185 6.481 1.00 0.00 C ATOM 1151 OH TYR A 68 85.458 -0.103 6.511 1.00 0.00 O ATOM 0 H TYR A 68 82.983 6.858 8.652 1.00 0.00 H new ATOM 0 HA TYR A 68 85.342 5.708 7.214 1.00 0.00 H new ATOM 0 HB2 TYR A 68 82.412 5.231 6.800 1.00 0.00 H new ATOM 0 HB3 TYR A 68 83.345 5.554 5.352 1.00 0.00 H new ATOM 0 HD1 TYR A 68 85.911 4.359 5.694 1.00 0.00 H new ATOM 0 HD2 TYR A 68 82.126 2.940 7.149 1.00 0.00 H new ATOM 0 HE1 TYR A 68 86.799 2.044 5.749 1.00 0.00 H new ATOM 0 HE2 TYR A 68 83.014 0.626 7.203 1.00 0.00 H new ATOM 0 HH TYR A 68 84.762 -0.713 6.833 1.00 0.00 H new ATOM 1161 N LEU A 69 83.285 7.950 5.973 1.00 0.00 N ATOM 1162 CA LEU A 69 83.261 9.278 5.309 1.00 0.00 C ATOM 1163 C LEU A 69 83.225 10.373 6.372 1.00 0.00 C ATOM 1164 O LEU A 69 84.089 11.224 6.429 1.00 0.00 O ATOM 1165 CB LEU A 69 82.019 9.385 4.421 1.00 0.00 C ATOM 1166 CG LEU A 69 82.074 10.686 3.620 1.00 0.00 C ATOM 1167 CD1 LEU A 69 82.243 10.364 2.134 1.00 0.00 C ATOM 1168 CD2 LEU A 69 80.774 11.466 3.826 1.00 0.00 C ATOM 0 H LEU A 69 82.398 7.446 5.966 1.00 0.00 H new ATOM 0 HA LEU A 69 84.154 9.395 4.695 1.00 0.00 H new ATOM 0 HB2 LEU A 69 81.968 8.531 3.745 1.00 0.00 H new ATOM 0 HB3 LEU A 69 81.118 9.361 5.034 1.00 0.00 H new ATOM 0 HG LEU A 69 82.918 11.286 3.960 1.00 0.00 H new ATOM 0 HD11 LEU A 69 82.282 11.292 1.563 1.00 0.00 H new ATOM 0 HD12 LEU A 69 83.168 9.807 1.985 1.00 0.00 H new ATOM 0 HD13 LEU A 69 81.399 9.764 1.794 1.00 0.00 H new ATOM 0 HD21 LEU A 69 80.812 12.394 3.255 1.00 0.00 H new ATOM 0 HD22 LEU A 69 79.931 10.865 3.485 1.00 0.00 H new ATOM 0 HD23 LEU A 69 80.651 11.696 4.884 1.00 0.00 H new ATOM 1180 N GLN A 70 82.235 10.356 7.220 1.00 0.00 N ATOM 1181 CA GLN A 70 82.150 11.393 8.280 1.00 0.00 C ATOM 1182 C GLN A 70 83.526 11.560 8.930 1.00 0.00 C ATOM 1183 O GLN A 70 83.859 12.605 9.452 1.00 0.00 O ATOM 1184 CB GLN A 70 81.144 10.944 9.340 1.00 0.00 C ATOM 1185 CG GLN A 70 81.110 11.968 10.474 1.00 0.00 C ATOM 1186 CD GLN A 70 82.238 11.673 11.464 1.00 0.00 C ATOM 1187 OE1 GLN A 70 82.911 10.667 11.356 1.00 0.00 O ATOM 1188 NE2 GLN A 70 82.476 12.516 12.432 1.00 0.00 N ATOM 0 H GLN A 70 81.482 9.668 7.223 1.00 0.00 H new ATOM 0 HA GLN A 70 81.830 12.340 7.846 1.00 0.00 H new ATOM 0 HB2 GLN A 70 80.153 10.843 8.897 1.00 0.00 H new ATOM 0 HB3 GLN A 70 81.421 9.964 9.728 1.00 0.00 H new ATOM 0 HG2 GLN A 70 81.219 12.975 10.072 1.00 0.00 H new ATOM 0 HG3 GLN A 70 80.147 11.931 10.983 1.00 0.00 H new ATOM 0 HE21 GLN A 70 81.911 13.361 12.523 1.00 0.00 H new ATOM 0 HE22 GLN A 70 83.227 12.330 13.097 1.00 0.00 H new ATOM 1197 N ARG A 71 84.320 10.525 8.908 1.00 0.00 N ATOM 1198 CA ARG A 71 85.672 10.592 9.527 1.00 0.00 C ATOM 1199 C ARG A 71 86.582 11.516 8.712 1.00 0.00 C ATOM 1200 O ARG A 71 87.277 12.351 9.256 1.00 0.00 O ATOM 1201 CB ARG A 71 86.282 9.190 9.562 1.00 0.00 C ATOM 1202 CG ARG A 71 86.325 8.685 11.005 1.00 0.00 C ATOM 1203 CD ARG A 71 86.915 7.274 11.030 1.00 0.00 C ATOM 1204 NE ARG A 71 87.681 7.078 12.294 1.00 0.00 N ATOM 1205 CZ ARG A 71 87.125 6.472 13.307 1.00 0.00 C ATOM 1206 NH1 ARG A 71 85.885 6.731 13.622 1.00 0.00 N ATOM 1207 NH2 ARG A 71 87.809 5.608 14.006 1.00 0.00 N ATOM 0 H ARG A 71 84.087 9.628 8.483 1.00 0.00 H new ATOM 0 HA ARG A 71 85.579 10.984 10.540 1.00 0.00 H new ATOM 0 HB2 ARG A 71 85.693 8.511 8.946 1.00 0.00 H new ATOM 0 HB3 ARG A 71 87.288 9.210 9.143 1.00 0.00 H new ATOM 0 HG2 ARG A 71 86.928 9.354 11.619 1.00 0.00 H new ATOM 0 HG3 ARG A 71 85.321 8.679 11.430 1.00 0.00 H new ATOM 0 HD2 ARG A 71 86.118 6.534 10.957 1.00 0.00 H new ATOM 0 HD3 ARG A 71 87.568 7.126 10.170 1.00 0.00 H new ATOM 0 HE ARG A 71 88.640 7.418 12.367 1.00 0.00 H new ATOM 0 HH11 ARG A 71 85.351 7.407 13.076 1.00 0.00 H new ATOM 0 HH12 ARG A 71 85.450 6.257 14.414 1.00 0.00 H new ATOM 0 HH21 ARG A 71 88.778 5.406 13.760 1.00 0.00 H new ATOM 0 HH22 ARG A 71 87.374 5.134 14.798 1.00 0.00 H new ATOM 1221 N GLU A 72 86.591 11.369 7.414 1.00 0.00 N ATOM 1222 CA GLU A 72 87.463 12.233 6.573 1.00 0.00 C ATOM 1223 C GLU A 72 86.757 13.542 6.248 1.00 0.00 C ATOM 1224 O GLU A 72 87.134 14.269 5.350 1.00 0.00 O ATOM 1225 CB GLU A 72 87.794 11.507 5.277 1.00 0.00 C ATOM 1226 CG GLU A 72 88.745 10.349 5.571 1.00 0.00 C ATOM 1227 CD GLU A 72 89.452 9.927 4.281 1.00 0.00 C ATOM 1228 OE1 GLU A 72 88.823 9.985 3.238 1.00 0.00 O ATOM 1229 OE2 GLU A 72 90.611 9.554 4.360 1.00 0.00 O ATOM 0 H GLU A 72 86.031 10.687 6.902 1.00 0.00 H new ATOM 0 HA GLU A 72 88.379 12.451 7.123 1.00 0.00 H new ATOM 0 HB2 GLU A 72 86.881 11.133 4.814 1.00 0.00 H new ATOM 0 HB3 GLU A 72 88.252 12.197 4.568 1.00 0.00 H new ATOM 0 HG2 GLU A 72 89.479 10.649 6.319 1.00 0.00 H new ATOM 0 HG3 GLU A 72 88.192 9.507 5.987 1.00 0.00 H new ATOM 1236 N ASP A 73 85.740 13.837 6.977 1.00 0.00 N ATOM 1237 CA ASP A 73 84.979 15.094 6.748 1.00 0.00 C ATOM 1238 C ASP A 73 83.716 15.083 7.616 1.00 0.00 C ATOM 1239 O ASP A 73 82.809 14.313 7.368 1.00 0.00 O ATOM 1240 CB ASP A 73 84.579 15.191 5.271 1.00 0.00 C ATOM 1241 CG ASP A 73 84.418 13.787 4.683 1.00 0.00 C ATOM 1242 OD1 ASP A 73 83.536 13.075 5.132 1.00 0.00 O ATOM 1243 OD2 ASP A 73 85.180 13.449 3.793 1.00 0.00 O ATOM 0 H ASP A 73 85.389 13.256 7.739 1.00 0.00 H new ATOM 0 HA ASP A 73 85.601 15.950 7.011 1.00 0.00 H new ATOM 0 HB2 ASP A 73 83.645 15.745 5.173 1.00 0.00 H new ATOM 0 HB3 ASP A 73 85.337 15.743 4.715 1.00 0.00 H new ATOM 1248 N PRO A 74 83.687 15.939 8.608 1.00 0.00 N ATOM 1249 CA PRO A 74 82.536 16.041 9.520 1.00 0.00 C ATOM 1250 C PRO A 74 81.393 16.764 8.816 1.00 0.00 C ATOM 1251 O PRO A 74 80.231 16.528 9.084 1.00 0.00 O ATOM 1252 CB PRO A 74 83.077 16.852 10.700 1.00 0.00 C ATOM 1253 CG PRO A 74 84.299 17.634 10.166 1.00 0.00 C ATOM 1254 CD PRO A 74 84.782 16.883 8.909 1.00 0.00 C ATOM 0 HA PRO A 74 82.139 15.078 9.840 1.00 0.00 H new ATOM 0 HB2 PRO A 74 82.318 17.533 11.084 1.00 0.00 H new ATOM 0 HB3 PRO A 74 83.364 16.197 11.523 1.00 0.00 H new ATOM 0 HG2 PRO A 74 84.027 18.661 9.924 1.00 0.00 H new ATOM 0 HG3 PRO A 74 85.088 17.682 10.917 1.00 0.00 H new ATOM 0 HD2 PRO A 74 84.957 17.567 8.079 1.00 0.00 H new ATOM 0 HD3 PRO A 74 85.720 16.359 9.094 1.00 0.00 H new ATOM 1262 N GLU A 75 81.720 17.623 7.897 1.00 0.00 N ATOM 1263 CA GLU A 75 80.665 18.345 7.146 1.00 0.00 C ATOM 1264 C GLU A 75 80.051 17.372 6.145 1.00 0.00 C ATOM 1265 O GLU A 75 78.849 17.279 6.005 1.00 0.00 O ATOM 1266 CB GLU A 75 81.284 19.533 6.403 1.00 0.00 C ATOM 1267 CG GLU A 75 80.183 20.520 6.010 1.00 0.00 C ATOM 1268 CD GLU A 75 80.803 21.710 5.276 1.00 0.00 C ATOM 1269 OE1 GLU A 75 81.446 21.486 4.264 1.00 0.00 O ATOM 1270 OE2 GLU A 75 80.625 22.824 5.739 1.00 0.00 O ATOM 0 H GLU A 75 82.677 17.857 7.633 1.00 0.00 H new ATOM 0 HA GLU A 75 79.901 18.720 7.827 1.00 0.00 H new ATOM 0 HB2 GLU A 75 82.021 20.027 7.036 1.00 0.00 H new ATOM 0 HB3 GLU A 75 81.810 19.185 5.514 1.00 0.00 H new ATOM 0 HG2 GLU A 75 79.449 20.028 5.372 1.00 0.00 H new ATOM 0 HG3 GLU A 75 79.653 20.863 6.899 1.00 0.00 H new ATOM 1277 N ARG A 76 80.873 16.628 5.458 1.00 0.00 N ATOM 1278 CA ARG A 76 80.340 15.643 4.485 1.00 0.00 C ATOM 1279 C ARG A 76 79.412 14.684 5.228 1.00 0.00 C ATOM 1280 O ARG A 76 78.607 13.995 4.632 1.00 0.00 O ATOM 1281 CB ARG A 76 81.496 14.864 3.856 1.00 0.00 C ATOM 1282 CG ARG A 76 82.163 15.719 2.776 1.00 0.00 C ATOM 1283 CD ARG A 76 81.304 15.706 1.510 1.00 0.00 C ATOM 1284 NE ARG A 76 82.121 15.224 0.361 1.00 0.00 N ATOM 1285 CZ ARG A 76 83.043 15.991 -0.153 1.00 0.00 C ATOM 1286 NH1 ARG A 76 82.704 17.005 -0.902 1.00 0.00 N ATOM 1287 NH2 ARG A 76 84.302 15.744 0.081 1.00 0.00 N ATOM 0 H ARG A 76 81.890 16.662 5.531 1.00 0.00 H new ATOM 0 HA ARG A 76 79.791 16.155 3.695 1.00 0.00 H new ATOM 0 HB2 ARG A 76 82.224 14.593 4.621 1.00 0.00 H new ATOM 0 HB3 ARG A 76 81.128 13.934 3.422 1.00 0.00 H new ATOM 0 HG2 ARG A 76 82.288 16.741 3.133 1.00 0.00 H new ATOM 0 HG3 ARG A 76 83.159 15.334 2.556 1.00 0.00 H new ATOM 0 HD2 ARG A 76 80.438 15.059 1.652 1.00 0.00 H new ATOM 0 HD3 ARG A 76 80.924 16.707 1.305 1.00 0.00 H new ATOM 0 HE ARG A 76 81.959 14.293 -0.024 1.00 0.00 H new ATOM 0 HH11 ARG A 76 81.719 17.197 -1.085 1.00 0.00 H new ATOM 0 HH12 ARG A 76 83.424 17.605 -1.304 1.00 0.00 H new ATOM 0 HH21 ARG A 76 84.566 14.951 0.666 1.00 0.00 H new ATOM 0 HH22 ARG A 76 85.023 16.344 -0.321 1.00 0.00 H new ATOM 1301 N TYR A 77 79.514 14.636 6.533 1.00 0.00 N ATOM 1302 CA TYR A 77 78.637 13.729 7.316 1.00 0.00 C ATOM 1303 C TYR A 77 77.289 14.408 7.578 1.00 0.00 C ATOM 1304 O TYR A 77 76.712 14.270 8.639 1.00 0.00 O ATOM 1305 CB TYR A 77 79.288 13.403 8.658 1.00 0.00 C ATOM 1306 CG TYR A 77 78.374 12.491 9.443 1.00 0.00 C ATOM 1307 CD1 TYR A 77 77.873 11.325 8.851 1.00 0.00 C ATOM 1308 CD2 TYR A 77 78.024 12.813 10.760 1.00 0.00 C ATOM 1309 CE1 TYR A 77 77.023 10.481 9.577 1.00 0.00 C ATOM 1310 CE2 TYR A 77 77.174 11.969 11.486 1.00 0.00 C ATOM 1311 CZ TYR A 77 76.675 10.802 10.893 1.00 0.00 C ATOM 1312 OH TYR A 77 75.837 9.970 11.607 1.00 0.00 O ATOM 0 H TYR A 77 80.169 15.189 7.086 1.00 0.00 H new ATOM 0 HA TYR A 77 78.487 12.812 6.746 1.00 0.00 H new ATOM 0 HB2 TYR A 77 80.254 12.923 8.501 1.00 0.00 H new ATOM 0 HB3 TYR A 77 79.475 14.320 9.217 1.00 0.00 H new ATOM 0 HD1 TYR A 77 78.142 11.077 7.835 1.00 0.00 H new ATOM 0 HD2 TYR A 77 78.410 13.713 11.216 1.00 0.00 H new ATOM 0 HE1 TYR A 77 76.636 9.582 9.120 1.00 0.00 H new ATOM 0 HE2 TYR A 77 76.904 12.218 12.502 1.00 0.00 H new ATOM 0 HH TYR A 77 75.034 10.465 11.874 1.00 0.00 H new ATOM 1322 N ARG A 78 76.783 15.144 6.631 1.00 0.00 N ATOM 1323 CA ARG A 78 75.482 15.826 6.845 1.00 0.00 C ATOM 1324 C ARG A 78 74.763 16.011 5.505 1.00 0.00 C ATOM 1325 O ARG A 78 73.988 16.930 5.330 1.00 0.00 O ATOM 1326 CB ARG A 78 75.727 17.188 7.511 1.00 0.00 C ATOM 1327 CG ARG A 78 76.091 18.237 6.456 1.00 0.00 C ATOM 1328 CD ARG A 78 77.279 19.061 6.948 1.00 0.00 C ATOM 1329 NE ARG A 78 76.795 20.370 7.470 1.00 0.00 N ATOM 1330 CZ ARG A 78 77.431 21.470 7.169 1.00 0.00 C ATOM 1331 NH1 ARG A 78 77.396 21.930 5.949 1.00 0.00 N ATOM 1332 NH2 ARG A 78 78.102 22.108 8.089 1.00 0.00 N ATOM 0 H ARG A 78 77.214 15.302 5.720 1.00 0.00 H new ATOM 0 HA ARG A 78 74.853 15.217 7.495 1.00 0.00 H new ATOM 0 HB2 ARG A 78 74.835 17.501 8.053 1.00 0.00 H new ATOM 0 HB3 ARG A 78 76.531 17.104 8.242 1.00 0.00 H new ATOM 0 HG2 ARG A 78 76.338 17.750 5.513 1.00 0.00 H new ATOM 0 HG3 ARG A 78 75.238 18.887 6.265 1.00 0.00 H new ATOM 0 HD2 ARG A 78 77.811 18.520 7.730 1.00 0.00 H new ATOM 0 HD3 ARG A 78 77.986 19.221 6.134 1.00 0.00 H new ATOM 0 HE ARG A 78 75.966 20.407 8.063 1.00 0.00 H new ATOM 0 HH11 ARG A 78 76.872 21.431 5.230 1.00 0.00 H new ATOM 0 HH12 ARG A 78 77.893 22.789 5.713 1.00 0.00 H new ATOM 0 HH21 ARG A 78 78.129 21.747 9.043 1.00 0.00 H new ATOM 0 HH22 ARG A 78 78.599 22.967 7.854 1.00 0.00 H new ATOM 1346 N ALA A 79 75.008 15.147 4.559 1.00 0.00 N ATOM 1347 CA ALA A 79 74.334 15.282 3.246 1.00 0.00 C ATOM 1348 C ALA A 79 73.749 13.944 2.829 1.00 0.00 C ATOM 1349 O ALA A 79 72.548 13.776 2.747 1.00 0.00 O ATOM 1350 CB ALA A 79 75.337 15.762 2.197 1.00 0.00 C ATOM 0 H ALA A 79 75.646 14.355 4.642 1.00 0.00 H new ATOM 0 HA ALA A 79 73.529 16.012 3.329 1.00 0.00 H new ATOM 0 HB1 ALA A 79 74.837 15.860 1.233 1.00 0.00 H new ATOM 0 HB2 ALA A 79 75.741 16.729 2.496 1.00 0.00 H new ATOM 0 HB3 ALA A 79 76.149 15.040 2.113 1.00 0.00 H new ATOM 1356 N LEU A 80 74.582 12.984 2.587 1.00 0.00 N ATOM 1357 CA LEU A 80 74.069 11.646 2.199 1.00 0.00 C ATOM 1358 C LEU A 80 73.426 10.994 3.421 1.00 0.00 C ATOM 1359 O LEU A 80 72.872 9.918 3.341 1.00 0.00 O ATOM 1360 CB LEU A 80 75.219 10.778 1.686 1.00 0.00 C ATOM 1361 CG LEU A 80 76.117 11.609 0.771 1.00 0.00 C ATOM 1362 CD1 LEU A 80 77.562 11.539 1.269 1.00 0.00 C ATOM 1363 CD2 LEU A 80 76.044 11.053 -0.654 1.00 0.00 C ATOM 0 H LEU A 80 75.597 13.064 2.640 1.00 0.00 H new ATOM 0 HA LEU A 80 73.329 11.748 1.405 1.00 0.00 H new ATOM 0 HB2 LEU A 80 75.797 10.389 2.524 1.00 0.00 H new ATOM 0 HB3 LEU A 80 74.826 9.918 1.144 1.00 0.00 H new ATOM 0 HG LEU A 80 75.781 12.646 0.778 1.00 0.00 H new ATOM 0 HD11 LEU A 80 78.201 12.132 0.615 1.00 0.00 H new ATOM 0 HD12 LEU A 80 77.616 11.932 2.284 1.00 0.00 H new ATOM 0 HD13 LEU A 80 77.899 10.502 1.263 1.00 0.00 H new ATOM 0 HD21 LEU A 80 76.684 11.645 -1.309 1.00 0.00 H new ATOM 0 HD22 LEU A 80 76.380 10.016 -0.658 1.00 0.00 H new ATOM 0 HD23 LEU A 80 75.015 11.102 -1.011 1.00 0.00 H new ATOM 1375 N ILE A 81 73.462 11.651 4.549 1.00 0.00 N ATOM 1376 CA ILE A 81 72.816 11.065 5.748 1.00 0.00 C ATOM 1377 C ILE A 81 71.308 11.143 5.511 1.00 0.00 C ATOM 1378 O ILE A 81 70.528 10.351 5.998 1.00 0.00 O ATOM 1379 CB ILE A 81 73.252 11.821 7.031 1.00 0.00 C ATOM 1380 CG1 ILE A 81 72.112 12.679 7.595 1.00 0.00 C ATOM 1381 CG2 ILE A 81 74.448 12.713 6.745 1.00 0.00 C ATOM 1382 CD1 ILE A 81 71.244 11.814 8.506 1.00 0.00 C ATOM 0 H ILE A 81 73.907 12.558 4.687 1.00 0.00 H new ATOM 0 HA ILE A 81 73.116 10.028 5.900 1.00 0.00 H new ATOM 0 HB ILE A 81 73.523 11.068 7.771 1.00 0.00 H new ATOM 0 HG12 ILE A 81 72.517 13.524 8.152 1.00 0.00 H new ATOM 0 HG13 ILE A 81 71.513 13.090 6.783 1.00 0.00 H new ATOM 0 HG21 ILE A 81 74.739 13.235 7.657 1.00 0.00 H new ATOM 0 HG22 ILE A 81 75.281 12.104 6.394 1.00 0.00 H new ATOM 0 HG23 ILE A 81 74.184 13.442 5.979 1.00 0.00 H new ATOM 0 HD11 ILE A 81 70.431 12.415 8.912 1.00 0.00 H new ATOM 0 HD12 ILE A 81 70.831 10.984 7.934 1.00 0.00 H new ATOM 0 HD13 ILE A 81 71.850 11.425 9.324 1.00 0.00 H new ATOM 1394 N GLU A 82 70.900 12.098 4.736 1.00 0.00 N ATOM 1395 CA GLU A 82 69.458 12.238 4.434 1.00 0.00 C ATOM 1396 C GLU A 82 69.059 11.257 3.325 1.00 0.00 C ATOM 1397 O GLU A 82 67.889 11.055 3.065 1.00 0.00 O ATOM 1398 CB GLU A 82 69.168 13.670 3.980 1.00 0.00 C ATOM 1399 CG GLU A 82 69.825 13.920 2.622 1.00 0.00 C ATOM 1400 CD GLU A 82 68.769 14.396 1.623 1.00 0.00 C ATOM 1401 OE1 GLU A 82 67.750 14.900 2.063 1.00 0.00 O ATOM 1402 OE2 GLU A 82 68.999 14.249 0.434 1.00 0.00 O ATOM 0 H GLU A 82 71.506 12.791 4.297 1.00 0.00 H new ATOM 0 HA GLU A 82 68.881 12.016 5.332 1.00 0.00 H new ATOM 0 HB2 GLU A 82 68.092 13.829 3.910 1.00 0.00 H new ATOM 0 HB3 GLU A 82 69.548 14.379 4.715 1.00 0.00 H new ATOM 0 HG2 GLU A 82 70.612 14.668 2.719 1.00 0.00 H new ATOM 0 HG3 GLU A 82 70.297 13.006 2.261 1.00 0.00 H new ATOM 1409 N LYS A 83 70.009 10.649 2.654 1.00 0.00 N ATOM 1410 CA LYS A 83 69.639 9.705 1.565 1.00 0.00 C ATOM 1411 C LYS A 83 70.386 8.369 1.700 1.00 0.00 C ATOM 1412 O LYS A 83 70.350 7.547 0.807 1.00 0.00 O ATOM 1413 CB LYS A 83 69.975 10.336 0.213 1.00 0.00 C ATOM 1414 CG LYS A 83 68.879 11.330 -0.175 1.00 0.00 C ATOM 1415 CD LYS A 83 68.109 10.798 -1.385 1.00 0.00 C ATOM 1416 CE LYS A 83 67.032 11.806 -1.790 1.00 0.00 C ATOM 1417 NZ LYS A 83 65.807 11.078 -2.225 1.00 0.00 N ATOM 0 H LYS A 83 71.010 10.766 2.814 1.00 0.00 H new ATOM 0 HA LYS A 83 68.570 9.506 1.637 1.00 0.00 H new ATOM 0 HB2 LYS A 83 70.938 10.844 0.266 1.00 0.00 H new ATOM 0 HB3 LYS A 83 70.064 9.562 -0.549 1.00 0.00 H new ATOM 0 HG2 LYS A 83 68.199 11.483 0.663 1.00 0.00 H new ATOM 0 HG3 LYS A 83 69.319 12.299 -0.409 1.00 0.00 H new ATOM 0 HD2 LYS A 83 68.792 10.626 -2.217 1.00 0.00 H new ATOM 0 HD3 LYS A 83 67.652 9.838 -1.145 1.00 0.00 H new ATOM 0 HE2 LYS A 83 66.799 12.462 -0.951 1.00 0.00 H new ATOM 0 HE3 LYS A 83 67.398 12.439 -2.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 65.075 11.764 -2.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 66.035 10.470 -3.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 65.455 10.492 -1.441 1.00 0.00 H new ATOM 1431 N LEU A 84 71.071 8.137 2.790 1.00 0.00 N ATOM 1432 CA LEU A 84 71.810 6.853 2.931 1.00 0.00 C ATOM 1433 C LEU A 84 71.230 5.996 4.062 1.00 0.00 C ATOM 1434 O LEU A 84 71.823 5.014 4.462 1.00 0.00 O ATOM 1435 CB LEU A 84 73.279 7.144 3.230 1.00 0.00 C ATOM 1436 CG LEU A 84 73.930 7.756 1.995 1.00 0.00 C ATOM 1437 CD1 LEU A 84 75.417 7.994 2.269 1.00 0.00 C ATOM 1438 CD2 LEU A 84 73.778 6.798 0.812 1.00 0.00 C ATOM 0 H LEU A 84 71.149 8.777 3.581 1.00 0.00 H new ATOM 0 HA LEU A 84 71.713 6.302 1.996 1.00 0.00 H new ATOM 0 HB2 LEU A 84 73.362 7.827 4.076 1.00 0.00 H new ATOM 0 HB3 LEU A 84 73.794 6.225 3.510 1.00 0.00 H new ATOM 0 HG LEU A 84 73.446 8.704 1.760 1.00 0.00 H new ATOM 0 HD11 LEU A 84 75.884 8.432 1.387 1.00 0.00 H new ATOM 0 HD12 LEU A 84 75.527 8.675 3.113 1.00 0.00 H new ATOM 0 HD13 LEU A 84 75.900 7.045 2.503 1.00 0.00 H new ATOM 0 HD21 LEU A 84 74.243 7.235 -0.072 1.00 0.00 H new ATOM 0 HD22 LEU A 84 74.263 5.850 1.047 1.00 0.00 H new ATOM 0 HD23 LEU A 84 72.720 6.626 0.617 1.00 0.00 H new ATOM 1450 N GLY A 85 70.089 6.344 4.590 1.00 0.00 N ATOM 1451 CA GLY A 85 69.516 5.518 5.696 1.00 0.00 C ATOM 1452 C GLY A 85 70.545 5.426 6.824 1.00 0.00 C ATOM 1453 O GLY A 85 70.892 4.359 7.289 1.00 0.00 O ATOM 0 H GLY A 85 69.533 7.152 4.310 1.00 0.00 H new ATOM 0 HA2 GLY A 85 68.593 5.966 6.063 1.00 0.00 H new ATOM 0 HA3 GLY A 85 69.264 4.522 5.332 1.00 0.00 H new ATOM 1457 N ILE A 86 71.052 6.550 7.235 1.00 0.00 N ATOM 1458 CA ILE A 86 72.079 6.603 8.295 1.00 0.00 C ATOM 1459 C ILE A 86 71.414 6.664 9.680 1.00 0.00 C ATOM 1460 O ILE A 86 71.197 5.649 10.313 1.00 0.00 O ATOM 1461 CB ILE A 86 72.905 7.861 8.021 1.00 0.00 C ATOM 1462 CG1 ILE A 86 73.638 8.344 9.259 1.00 0.00 C ATOM 1463 CG2 ILE A 86 71.983 8.973 7.548 1.00 0.00 C ATOM 1464 CD1 ILE A 86 74.149 7.154 10.075 1.00 0.00 C ATOM 0 H ILE A 86 70.785 7.462 6.864 1.00 0.00 H new ATOM 0 HA ILE A 86 72.711 5.715 8.291 1.00 0.00 H new ATOM 0 HB ILE A 86 73.643 7.608 7.260 1.00 0.00 H new ATOM 0 HG12 ILE A 86 74.474 8.980 8.969 1.00 0.00 H new ATOM 0 HG13 ILE A 86 72.971 8.953 9.870 1.00 0.00 H new ATOM 0 HG21 ILE A 86 72.568 9.872 7.352 1.00 0.00 H new ATOM 0 HG22 ILE A 86 71.477 8.662 6.634 1.00 0.00 H new ATOM 0 HG23 ILE A 86 71.242 9.184 8.319 1.00 0.00 H new ATOM 0 HD11 ILE A 86 74.672 7.517 10.959 1.00 0.00 H new ATOM 0 HD12 ILE A 86 73.306 6.534 10.381 1.00 0.00 H new ATOM 0 HD13 ILE A 86 74.833 6.562 9.466 1.00 0.00 H new ATOM 1476 N ARG A 87 71.086 7.833 10.159 1.00 0.00 N ATOM 1477 CA ARG A 87 70.447 7.954 11.474 1.00 0.00 C ATOM 1478 C ARG A 87 68.959 8.225 11.275 1.00 0.00 C ATOM 1479 O ARG A 87 68.265 7.495 10.596 1.00 0.00 O ATOM 1480 CB ARG A 87 71.123 9.100 12.229 1.00 0.00 C ATOM 1481 CG ARG A 87 72.588 8.748 12.491 1.00 0.00 C ATOM 1482 CD ARG A 87 73.032 9.366 13.817 1.00 0.00 C ATOM 1483 NE ARG A 87 73.464 8.287 14.749 1.00 0.00 N ATOM 1484 CZ ARG A 87 74.184 8.579 15.799 1.00 0.00 C ATOM 1485 NH1 ARG A 87 73.775 9.494 16.635 1.00 0.00 N ATOM 1486 NH2 ARG A 87 75.311 7.957 16.011 1.00 0.00 N ATOM 0 H ARG A 87 71.242 8.718 9.676 1.00 0.00 H new ATOM 0 HA ARG A 87 70.553 7.037 12.053 1.00 0.00 H new ATOM 0 HB2 ARG A 87 71.058 10.020 11.648 1.00 0.00 H new ATOM 0 HB3 ARG A 87 70.608 9.281 13.172 1.00 0.00 H new ATOM 0 HG2 ARG A 87 72.713 7.666 12.522 1.00 0.00 H new ATOM 0 HG3 ARG A 87 73.213 9.118 11.678 1.00 0.00 H new ATOM 0 HD2 ARG A 87 73.851 10.065 13.648 1.00 0.00 H new ATOM 0 HD3 ARG A 87 72.213 9.935 14.257 1.00 0.00 H new ATOM 0 HE ARG A 87 73.197 7.319 14.567 1.00 0.00 H new ATOM 0 HH11 ARG A 87 72.894 9.980 16.468 1.00 0.00 H new ATOM 0 HH12 ARG A 87 74.336 9.723 17.455 1.00 0.00 H new ATOM 0 HH21 ARG A 87 75.630 7.243 15.357 1.00 0.00 H new ATOM 0 HH22 ARG A 87 75.873 8.185 16.831 1.00 0.00 H new ATOM 1500 N GLY A 88 68.470 9.265 11.858 1.00 0.00 N ATOM 1501 CA GLY A 88 67.026 9.603 11.717 1.00 0.00 C ATOM 1502 C GLY A 88 66.842 10.576 10.550 1.00 0.00 C ATOM 1503 O GLY A 88 67.841 10.977 9.976 1.00 0.00 O ATOM 1504 OXT GLY A 88 65.705 10.902 10.250 1.00 0.00 O ATOM 0 H GLY A 88 69.008 9.910 12.436 1.00 0.00 H new ATOM 0 HA2 GLY A 88 66.445 8.697 11.545 1.00 0.00 H new ATOM 0 HA3 GLY A 88 66.654 10.050 12.639 1.00 0.00 H new