USER MOD reduce.3.24.130724 H: found=0, std=0, add=650, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 651 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 32 ASN : amide:sc= -0.164 X(o=-0.081,f=-0.23) USER MOD Set 1.2: A 36 ASN : amide:sc= 0.0829 X(o=-0.081,f=-0.23) USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 32:sc= 0.0829 USER MOD Single : A 27 ASN : amide:sc= 0.383 K(o=0.38,f=-5.5!) USER MOD Single : A 34 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 37 SER OG : rot 36:sc= 0.297 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 27:sc= -0.594 USER MOD Single : A 68 GLN :FLIP amide:sc= -0.092 F(o=-0.66,f=-0.092) USER MOD Single : A 82 HIS : no HD1:sc= -0.32 X(o=-0.32,f=-0.036) USER MOD Single : A 84 GLN : amide:sc= -0.842 K(o=-0.84,f=-2.7!) USER MOD Single : A 85 GLN : amide:sc= 0.408 X(o=0.41,f=0) USER MOD Single : A 87 LYS NZ :NH3+ -113:sc= 0.0927 (180deg=-0.0253) USER MOD Single : A 90 GLN :FLIP amide:sc= -0.024 F(o=-2.6!,f=-0.024) USER MOD Single : A 91 LYS NZ :NH3+ 171:sc= 0.495 (180deg=0.455) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= -0.115 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 ASN : amide:sc=-0.00553 X(o=-0.0055,f=0) USER MOD Single : A 102 SER OG : rot 180:sc= -0.334 USER MOD Single : A 103 LYS NZ :NH3+ -169:sc=-0.00752 (180deg=-0.15) USER MOD Single : A 105 SER OG : rot -42:sc= 0.358 USER MOD Single : A 106 GLN : amide:sc= 0.094 K(o=0.094,f=-2.3) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 21 26.779 -11.128 -21.215 1.00 0.00 N ATOM 2 CA MET A 21 27.189 -12.151 -22.202 1.00 0.00 C ATOM 3 C MET A 21 26.006 -13.084 -22.517 1.00 0.00 C ATOM 4 O MET A 21 25.570 -13.845 -21.641 1.00 0.00 O ATOM 5 CB MET A 21 28.404 -12.971 -21.678 1.00 0.00 C ATOM 6 CG MET A 21 28.895 -14.055 -22.651 1.00 0.00 C ATOM 7 SD MET A 21 30.344 -14.947 -22.048 1.00 0.00 S ATOM 8 CE MET A 21 30.648 -16.085 -23.405 1.00 0.00 C ATOM 0 HA MET A 21 27.493 -11.645 -23.118 1.00 0.00 H new ATOM 0 HB2 MET A 21 29.226 -12.287 -21.467 1.00 0.00 H new ATOM 0 HB3 MET A 21 28.131 -13.442 -20.734 1.00 0.00 H new ATOM 0 HG2 MET A 21 28.088 -14.765 -22.831 1.00 0.00 H new ATOM 0 HG3 MET A 21 29.133 -13.593 -23.609 1.00 0.00 H new ATOM 0 HE1 MET A 21 31.516 -16.703 -23.174 1.00 0.00 H new ATOM 0 HE2 MET A 21 29.776 -16.723 -23.547 1.00 0.00 H new ATOM 0 HE3 MET A 21 30.837 -15.520 -24.318 1.00 0.00 H new ATOM 18 N ALA A 22 25.484 -13.001 -23.757 1.00 0.00 N ATOM 19 CA ALA A 22 24.408 -13.874 -24.250 1.00 0.00 C ATOM 20 C ALA A 22 24.401 -13.881 -25.794 1.00 0.00 C ATOM 21 O ALA A 22 23.644 -13.138 -26.435 1.00 0.00 O ATOM 22 CB ALA A 22 23.043 -13.442 -23.675 1.00 0.00 C ATOM 0 H ALA A 22 25.802 -12.320 -24.447 1.00 0.00 H new ATOM 0 HA ALA A 22 24.593 -14.892 -23.908 1.00 0.00 H new ATOM 0 HB1 ALA A 22 22.263 -14.102 -24.054 1.00 0.00 H new ATOM 0 HB2 ALA A 22 23.071 -13.501 -22.587 1.00 0.00 H new ATOM 0 HB3 ALA A 22 22.829 -12.417 -23.977 1.00 0.00 H new ATOM 28 N SER A 23 25.271 -14.714 -26.385 1.00 0.00 N ATOM 29 CA SER A 23 25.436 -14.823 -27.850 1.00 0.00 C ATOM 30 C SER A 23 25.832 -16.267 -28.238 1.00 0.00 C ATOM 31 O SER A 23 26.780 -16.823 -27.666 1.00 0.00 O ATOM 32 CB SER A 23 26.504 -13.804 -28.331 1.00 0.00 C ATOM 33 OG SER A 23 27.739 -13.966 -27.639 1.00 0.00 O ATOM 0 H SER A 23 25.885 -15.336 -25.860 1.00 0.00 H new ATOM 0 HA SER A 23 24.490 -14.592 -28.339 1.00 0.00 H new ATOM 0 HB2 SER A 23 26.668 -13.928 -29.401 1.00 0.00 H new ATOM 0 HB3 SER A 23 26.133 -12.790 -28.180 1.00 0.00 H new ATOM 0 HG SER A 23 27.863 -14.910 -27.409 1.00 0.00 H new ATOM 39 N GLY A 24 25.048 -16.900 -29.148 1.00 0.00 N ATOM 40 CA GLY A 24 25.379 -18.225 -29.715 1.00 0.00 C ATOM 41 C GLY A 24 24.977 -19.413 -28.826 1.00 0.00 C ATOM 42 O GLY A 24 24.709 -20.507 -29.340 1.00 0.00 O ATOM 0 H GLY A 24 24.177 -16.507 -29.504 1.00 0.00 H new ATOM 0 HA2 GLY A 24 24.886 -18.327 -30.682 1.00 0.00 H new ATOM 0 HA3 GLY A 24 26.452 -18.271 -29.898 1.00 0.00 H new ATOM 46 N TRP A 25 24.941 -19.184 -27.493 1.00 0.00 N ATOM 47 CA TRP A 25 24.631 -20.211 -26.464 1.00 0.00 C ATOM 48 C TRP A 25 23.273 -20.904 -26.707 1.00 0.00 C ATOM 49 O TRP A 25 23.153 -22.124 -26.569 1.00 0.00 O ATOM 50 CB TRP A 25 24.654 -19.562 -25.047 1.00 0.00 C ATOM 51 CG TRP A 25 23.603 -18.484 -24.833 1.00 0.00 C ATOM 52 CD1 TRP A 25 23.490 -17.306 -25.507 1.00 0.00 C ATOM 53 CD2 TRP A 25 22.517 -18.497 -23.889 1.00 0.00 C ATOM 54 NE1 TRP A 25 22.417 -16.596 -25.054 1.00 0.00 N ATOM 55 CE2 TRP A 25 21.809 -17.294 -24.054 1.00 0.00 C ATOM 56 CE3 TRP A 25 22.085 -19.398 -22.912 1.00 0.00 C ATOM 57 CZ2 TRP A 25 20.687 -16.977 -23.304 1.00 0.00 C ATOM 58 CZ3 TRP A 25 20.967 -19.085 -22.165 1.00 0.00 C ATOM 59 CH2 TRP A 25 20.282 -17.877 -22.358 1.00 0.00 C ATOM 0 H TRP A 25 25.129 -18.265 -27.092 1.00 0.00 H new ATOM 0 HA TRP A 25 25.399 -20.981 -26.534 1.00 0.00 H new ATOM 0 HB2 TRP A 25 24.513 -20.343 -24.300 1.00 0.00 H new ATOM 0 HB3 TRP A 25 25.640 -19.131 -24.874 1.00 0.00 H new ATOM 0 HD1 TRP A 25 24.157 -16.979 -26.291 1.00 0.00 H new ATOM 0 HE1 TRP A 25 22.117 -15.687 -25.407 1.00 0.00 H new ATOM 0 HE3 TRP A 25 22.617 -20.323 -22.744 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 20.152 -16.052 -23.461 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 20.614 -19.782 -21.420 1.00 0.00 H new ATOM 0 HH2 TRP A 25 19.419 -17.653 -21.748 1.00 0.00 H new ATOM 70 N ALA A 26 22.265 -20.099 -27.065 1.00 0.00 N ATOM 71 CA ALA A 26 20.889 -20.561 -27.304 1.00 0.00 C ATOM 72 C ALA A 26 20.386 -19.965 -28.619 1.00 0.00 C ATOM 73 O ALA A 26 19.884 -20.677 -29.483 1.00 0.00 O ATOM 74 CB ALA A 26 19.978 -20.147 -26.132 1.00 0.00 C ATOM 0 H ALA A 26 22.382 -19.095 -27.199 1.00 0.00 H new ATOM 0 HA ALA A 26 20.872 -21.649 -27.374 1.00 0.00 H new ATOM 0 HB1 ALA A 26 18.962 -20.495 -26.320 1.00 0.00 H new ATOM 0 HB2 ALA A 26 20.348 -20.592 -25.208 1.00 0.00 H new ATOM 0 HB3 ALA A 26 19.978 -19.061 -26.037 1.00 0.00 H new ATOM 80 N ASN A 27 20.587 -18.643 -28.757 1.00 0.00 N ATOM 81 CA ASN A 27 20.142 -17.825 -29.906 1.00 0.00 C ATOM 82 C ASN A 27 21.080 -17.985 -31.127 1.00 0.00 C ATOM 83 O ASN A 27 21.546 -17.003 -31.720 1.00 0.00 O ATOM 84 CB ASN A 27 20.036 -16.345 -29.438 1.00 0.00 C ATOM 85 CG ASN A 27 21.354 -15.743 -28.887 1.00 0.00 C ATOM 86 OD1 ASN A 27 22.223 -16.443 -28.354 1.00 0.00 O ATOM 87 ND2 ASN A 27 21.500 -14.434 -28.988 1.00 0.00 N ATOM 0 H ASN A 27 21.079 -18.094 -28.052 1.00 0.00 H new ATOM 0 HA ASN A 27 19.164 -18.169 -30.243 1.00 0.00 H new ATOM 0 HB2 ASN A 27 19.697 -15.737 -30.277 1.00 0.00 H new ATOM 0 HB3 ASN A 27 19.270 -16.277 -28.665 1.00 0.00 H new ATOM 0 HD21 ASN A 27 22.340 -13.985 -28.623 1.00 0.00 H new ATOM 0 HD22 ASN A 27 20.773 -13.872 -29.431 1.00 0.00 H new ATOM 94 N ASP A 28 21.307 -19.249 -31.520 1.00 0.00 N ATOM 95 CA ASP A 28 22.170 -19.617 -32.646 1.00 0.00 C ATOM 96 C ASP A 28 21.481 -19.276 -33.988 1.00 0.00 C ATOM 97 O ASP A 28 21.804 -18.258 -34.613 1.00 0.00 O ATOM 98 CB ASP A 28 22.536 -21.131 -32.555 1.00 0.00 C ATOM 99 CG ASP A 28 23.418 -21.621 -33.729 1.00 0.00 C ATOM 100 OD1 ASP A 28 24.639 -21.351 -33.721 1.00 0.00 O ATOM 101 OD2 ASP A 28 22.895 -22.283 -34.657 1.00 0.00 O ATOM 0 H ASP A 28 20.888 -20.054 -31.055 1.00 0.00 H new ATOM 0 HA ASP A 28 23.094 -19.041 -32.598 1.00 0.00 H new ATOM 0 HB2 ASP A 28 23.058 -21.315 -31.616 1.00 0.00 H new ATOM 0 HB3 ASP A 28 21.618 -21.718 -32.530 1.00 0.00 H new ATOM 106 N ASP A 29 20.503 -20.112 -34.392 1.00 0.00 N ATOM 107 CA ASP A 29 19.774 -19.953 -35.664 1.00 0.00 C ATOM 108 C ASP A 29 18.468 -20.757 -35.600 1.00 0.00 C ATOM 109 O ASP A 29 17.382 -20.211 -35.806 1.00 0.00 O ATOM 110 CB ASP A 29 20.657 -20.415 -36.860 1.00 0.00 C ATOM 111 CG ASP A 29 19.958 -20.317 -38.232 1.00 0.00 C ATOM 112 OD1 ASP A 29 19.870 -19.203 -38.790 1.00 0.00 O ATOM 113 OD2 ASP A 29 19.481 -21.349 -38.750 1.00 0.00 O ATOM 0 H ASP A 29 20.197 -20.916 -33.844 1.00 0.00 H new ATOM 0 HA ASP A 29 19.535 -18.901 -35.818 1.00 0.00 H new ATOM 0 HB2 ASP A 29 21.565 -19.812 -36.882 1.00 0.00 H new ATOM 0 HB3 ASP A 29 20.965 -21.447 -36.694 1.00 0.00 H new ATOM 118 N ALA A 30 18.594 -22.063 -35.274 1.00 0.00 N ATOM 119 CA ALA A 30 17.439 -22.990 -35.136 1.00 0.00 C ATOM 120 C ALA A 30 16.492 -22.584 -33.979 1.00 0.00 C ATOM 121 O ALA A 30 15.334 -23.012 -33.927 1.00 0.00 O ATOM 122 CB ALA A 30 17.934 -24.439 -34.944 1.00 0.00 C ATOM 0 H ALA A 30 19.495 -22.507 -35.099 1.00 0.00 H new ATOM 0 HA ALA A 30 16.863 -22.926 -36.059 1.00 0.00 H new ATOM 0 HB1 ALA A 30 17.078 -25.106 -34.844 1.00 0.00 H new ATOM 0 HB2 ALA A 30 18.528 -24.738 -35.808 1.00 0.00 H new ATOM 0 HB3 ALA A 30 18.546 -24.498 -34.044 1.00 0.00 H new ATOM 128 N VAL A 31 17.006 -21.751 -33.058 1.00 0.00 N ATOM 129 CA VAL A 31 16.257 -21.210 -31.910 1.00 0.00 C ATOM 130 C VAL A 31 15.964 -19.712 -32.141 1.00 0.00 C ATOM 131 O VAL A 31 14.866 -19.225 -31.835 1.00 0.00 O ATOM 132 CB VAL A 31 17.081 -21.410 -30.585 1.00 0.00 C ATOM 133 CG1 VAL A 31 16.371 -20.780 -29.355 1.00 0.00 C ATOM 134 CG2 VAL A 31 17.398 -22.918 -30.357 1.00 0.00 C ATOM 0 H VAL A 31 17.973 -21.428 -33.091 1.00 0.00 H new ATOM 0 HA VAL A 31 15.312 -21.744 -31.813 1.00 0.00 H new ATOM 0 HB VAL A 31 18.027 -20.880 -30.701 1.00 0.00 H new ATOM 0 HG11 VAL A 31 16.976 -20.942 -28.463 1.00 0.00 H new ATOM 0 HG12 VAL A 31 16.244 -19.710 -29.517 1.00 0.00 H new ATOM 0 HG13 VAL A 31 15.394 -21.245 -29.221 1.00 0.00 H new ATOM 0 HG21 VAL A 31 17.968 -23.035 -29.436 1.00 0.00 H new ATOM 0 HG22 VAL A 31 16.466 -23.478 -30.280 1.00 0.00 H new ATOM 0 HG23 VAL A 31 17.982 -23.298 -31.196 1.00 0.00 H new ATOM 144 N ASN A 32 16.964 -19.000 -32.718 1.00 0.00 N ATOM 145 CA ASN A 32 16.908 -17.534 -32.957 1.00 0.00 C ATOM 146 C ASN A 32 15.758 -17.156 -33.918 1.00 0.00 C ATOM 147 O ASN A 32 15.201 -16.065 -33.817 1.00 0.00 O ATOM 148 CB ASN A 32 18.257 -17.014 -33.520 1.00 0.00 C ATOM 149 CG ASN A 32 18.305 -15.490 -33.732 1.00 0.00 C ATOM 150 OD1 ASN A 32 18.890 -15.007 -34.699 1.00 0.00 O ATOM 151 ND2 ASN A 32 17.715 -14.712 -32.825 1.00 0.00 N ATOM 0 H ASN A 32 17.835 -19.427 -33.032 1.00 0.00 H new ATOM 0 HA ASN A 32 16.717 -17.059 -31.995 1.00 0.00 H new ATOM 0 HB2 ASN A 32 19.057 -17.300 -32.838 1.00 0.00 H new ATOM 0 HB3 ASN A 32 18.456 -17.509 -34.471 1.00 0.00 H new ATOM 0 HD21 ASN A 32 17.744 -13.698 -32.927 1.00 0.00 H new ATOM 0 HD22 ASN A 32 17.234 -15.131 -32.029 1.00 0.00 H new ATOM 158 N GLU A 33 15.424 -18.085 -34.840 1.00 0.00 N ATOM 159 CA GLU A 33 14.285 -17.940 -35.787 1.00 0.00 C ATOM 160 C GLU A 33 12.956 -17.655 -35.047 1.00 0.00 C ATOM 161 O GLU A 33 12.147 -16.835 -35.494 1.00 0.00 O ATOM 162 CB GLU A 33 14.154 -19.214 -36.669 1.00 0.00 C ATOM 163 CG GLU A 33 14.066 -20.540 -35.876 1.00 0.00 C ATOM 164 CD GLU A 33 13.738 -21.758 -36.755 1.00 0.00 C ATOM 165 OE1 GLU A 33 12.540 -22.046 -36.963 1.00 0.00 O ATOM 166 OE2 GLU A 33 14.674 -22.425 -37.248 1.00 0.00 O ATOM 0 H GLU A 33 15.935 -18.961 -34.953 1.00 0.00 H new ATOM 0 HA GLU A 33 14.493 -17.083 -36.427 1.00 0.00 H new ATOM 0 HB2 GLU A 33 13.265 -19.119 -37.292 1.00 0.00 H new ATOM 0 HB3 GLU A 33 15.010 -19.264 -37.341 1.00 0.00 H new ATOM 0 HG2 GLU A 33 15.014 -20.714 -35.367 1.00 0.00 H new ATOM 0 HG3 GLU A 33 13.303 -20.443 -35.104 1.00 0.00 H new ATOM 173 N GLN A 34 12.767 -18.340 -33.903 1.00 0.00 N ATOM 174 CA GLN A 34 11.554 -18.227 -33.064 1.00 0.00 C ATOM 175 C GLN A 34 11.582 -16.938 -32.223 1.00 0.00 C ATOM 176 O GLN A 34 10.532 -16.374 -31.891 1.00 0.00 O ATOM 177 CB GLN A 34 11.434 -19.476 -32.155 1.00 0.00 C ATOM 178 CG GLN A 34 11.313 -20.803 -32.936 1.00 0.00 C ATOM 179 CD GLN A 34 11.301 -22.045 -32.043 1.00 0.00 C ATOM 180 OE1 GLN A 34 11.908 -22.062 -30.974 1.00 0.00 O ATOM 181 NE2 GLN A 34 10.594 -23.084 -32.458 1.00 0.00 N ATOM 0 H GLN A 34 13.456 -18.993 -33.530 1.00 0.00 H new ATOM 0 HA GLN A 34 10.680 -18.175 -33.714 1.00 0.00 H new ATOM 0 HB2 GLN A 34 12.307 -19.526 -31.504 1.00 0.00 H new ATOM 0 HB3 GLN A 34 10.562 -19.363 -31.511 1.00 0.00 H new ATOM 0 HG2 GLN A 34 10.398 -20.783 -33.528 1.00 0.00 H new ATOM 0 HG3 GLN A 34 12.144 -20.879 -33.637 1.00 0.00 H new ATOM 0 HE21 GLN A 34 10.100 -23.042 -33.350 1.00 0.00 H new ATOM 0 HE22 GLN A 34 10.543 -23.927 -31.886 1.00 0.00 H new ATOM 190 N ILE A 35 12.802 -16.480 -31.892 1.00 0.00 N ATOM 191 CA ILE A 35 13.029 -15.232 -31.135 1.00 0.00 C ATOM 192 C ILE A 35 12.733 -14.008 -32.035 1.00 0.00 C ATOM 193 O ILE A 35 12.224 -12.978 -31.572 1.00 0.00 O ATOM 194 CB ILE A 35 14.509 -15.168 -30.568 1.00 0.00 C ATOM 195 CG1 ILE A 35 14.834 -16.441 -29.708 1.00 0.00 C ATOM 196 CG2 ILE A 35 14.763 -13.862 -29.755 1.00 0.00 C ATOM 197 CD1 ILE A 35 13.911 -16.667 -28.517 1.00 0.00 C ATOM 0 H ILE A 35 13.663 -16.966 -32.142 1.00 0.00 H new ATOM 0 HA ILE A 35 12.349 -15.216 -30.283 1.00 0.00 H new ATOM 0 HB ILE A 35 15.185 -15.152 -31.423 1.00 0.00 H new ATOM 0 HG12 ILE A 35 14.790 -17.318 -30.354 1.00 0.00 H new ATOM 0 HG13 ILE A 35 15.859 -16.363 -29.345 1.00 0.00 H new ATOM 0 HG21 ILE A 35 15.788 -13.858 -29.384 1.00 0.00 H new ATOM 0 HG22 ILE A 35 14.606 -12.996 -30.399 1.00 0.00 H new ATOM 0 HG23 ILE A 35 14.073 -13.818 -28.913 1.00 0.00 H new ATOM 0 HD11 ILE A 35 14.216 -17.569 -27.986 1.00 0.00 H new ATOM 0 HD12 ILE A 35 13.970 -15.812 -27.843 1.00 0.00 H new ATOM 0 HD13 ILE A 35 12.885 -16.782 -28.868 1.00 0.00 H new ATOM 209 N ASN A 36 13.013 -14.160 -33.340 1.00 0.00 N ATOM 210 CA ASN A 36 12.821 -13.093 -34.340 1.00 0.00 C ATOM 211 C ASN A 36 11.433 -13.194 -35.018 1.00 0.00 C ATOM 212 O ASN A 36 11.170 -12.486 -35.993 1.00 0.00 O ATOM 213 CB ASN A 36 13.952 -13.145 -35.407 1.00 0.00 C ATOM 214 CG ASN A 36 15.369 -13.036 -34.825 1.00 0.00 C ATOM 215 OD1 ASN A 36 15.590 -12.464 -33.754 1.00 0.00 O ATOM 216 ND2 ASN A 36 16.347 -13.566 -35.541 1.00 0.00 N ATOM 0 H ASN A 36 13.379 -15.027 -33.733 1.00 0.00 H new ATOM 0 HA ASN A 36 12.867 -12.136 -33.821 1.00 0.00 H new ATOM 0 HB2 ASN A 36 13.870 -14.079 -35.963 1.00 0.00 H new ATOM 0 HB3 ASN A 36 13.801 -12.335 -36.121 1.00 0.00 H new ATOM 0 HD21 ASN A 36 17.310 -13.507 -35.211 1.00 0.00 H new ATOM 0 HD22 ASN A 36 16.138 -14.034 -36.423 1.00 0.00 H new ATOM 223 N SER A 37 10.521 -14.031 -34.461 1.00 0.00 N ATOM 224 CA SER A 37 9.152 -14.243 -35.009 1.00 0.00 C ATOM 225 C SER A 37 8.163 -13.100 -34.664 1.00 0.00 C ATOM 226 O SER A 37 6.950 -13.264 -34.815 1.00 0.00 O ATOM 227 CB SER A 37 8.593 -15.602 -34.516 1.00 0.00 C ATOM 228 OG SER A 37 9.380 -16.669 -35.000 1.00 0.00 O ATOM 0 H SER A 37 10.711 -14.578 -33.621 1.00 0.00 H new ATOM 0 HA SER A 37 9.247 -14.246 -36.095 1.00 0.00 H new ATOM 0 HB2 SER A 37 8.577 -15.621 -33.426 1.00 0.00 H new ATOM 0 HB3 SER A 37 7.563 -15.721 -34.852 1.00 0.00 H new ATOM 0 HG SER A 37 10.321 -16.397 -35.025 1.00 0.00 H new ATOM 234 N THR A 38 8.690 -11.938 -34.257 1.00 0.00 N ATOM 235 CA THR A 38 7.888 -10.760 -33.870 1.00 0.00 C ATOM 236 C THR A 38 7.342 -10.029 -35.119 1.00 0.00 C ATOM 237 O THR A 38 6.190 -9.558 -35.129 1.00 0.00 O ATOM 238 CB THR A 38 8.757 -9.782 -33.009 1.00 0.00 C ATOM 239 OG1 THR A 38 9.265 -10.473 -31.848 1.00 0.00 O ATOM 240 CG2 THR A 38 7.971 -8.535 -32.566 1.00 0.00 C ATOM 0 H THR A 38 9.696 -11.783 -34.185 1.00 0.00 H new ATOM 0 HA THR A 38 7.039 -11.101 -33.278 1.00 0.00 H new ATOM 0 HB THR A 38 9.582 -9.443 -33.636 1.00 0.00 H new ATOM 0 HG1 THR A 38 9.809 -9.858 -31.313 1.00 0.00 H new ATOM 0 HG21 THR A 38 8.618 -7.889 -31.972 1.00 0.00 H new ATOM 0 HG22 THR A 38 7.624 -7.992 -33.445 1.00 0.00 H new ATOM 0 HG23 THR A 38 7.113 -8.840 -31.966 1.00 0.00 H new ATOM 248 N ILE A 39 8.178 -9.983 -36.173 1.00 0.00 N ATOM 249 CA ILE A 39 7.846 -9.318 -37.450 1.00 0.00 C ATOM 250 C ILE A 39 6.660 -10.052 -38.108 1.00 0.00 C ATOM 251 O ILE A 39 5.673 -9.431 -38.528 1.00 0.00 O ATOM 252 CB ILE A 39 9.089 -9.277 -38.450 1.00 0.00 C ATOM 253 CG1 ILE A 39 10.299 -8.444 -37.868 1.00 0.00 C ATOM 254 CG2 ILE A 39 8.678 -8.742 -39.851 1.00 0.00 C ATOM 255 CD1 ILE A 39 11.126 -9.133 -36.787 1.00 0.00 C ATOM 0 H ILE A 39 9.106 -10.407 -36.164 1.00 0.00 H new ATOM 0 HA ILE A 39 7.577 -8.284 -37.233 1.00 0.00 H new ATOM 0 HB ILE A 39 9.427 -10.307 -38.564 1.00 0.00 H new ATOM 0 HG12 ILE A 39 10.962 -8.180 -38.692 1.00 0.00 H new ATOM 0 HG13 ILE A 39 9.910 -7.511 -37.460 1.00 0.00 H new ATOM 0 HG21 ILE A 39 9.550 -8.728 -40.505 1.00 0.00 H new ATOM 0 HG22 ILE A 39 7.914 -9.391 -40.278 1.00 0.00 H new ATOM 0 HG23 ILE A 39 8.282 -7.731 -39.753 1.00 0.00 H new ATOM 0 HD11 ILE A 39 11.927 -8.469 -36.463 1.00 0.00 H new ATOM 0 HD12 ILE A 39 10.487 -9.372 -35.937 1.00 0.00 H new ATOM 0 HD13 ILE A 39 11.556 -10.051 -37.188 1.00 0.00 H new ATOM 267 N GLU A 40 6.752 -11.394 -38.109 1.00 0.00 N ATOM 268 CA GLU A 40 5.754 -12.276 -38.744 1.00 0.00 C ATOM 269 C GLU A 40 4.531 -12.476 -37.836 1.00 0.00 C ATOM 270 O GLU A 40 3.498 -12.937 -38.306 1.00 0.00 O ATOM 271 CB GLU A 40 6.392 -13.638 -39.122 1.00 0.00 C ATOM 272 CG GLU A 40 6.786 -14.534 -37.935 1.00 0.00 C ATOM 273 CD GLU A 40 7.615 -15.754 -38.358 1.00 0.00 C ATOM 274 OE1 GLU A 40 7.088 -16.606 -39.105 1.00 0.00 O ATOM 275 OE2 GLU A 40 8.801 -15.859 -37.972 1.00 0.00 O ATOM 0 H GLU A 40 7.521 -11.899 -37.669 1.00 0.00 H new ATOM 0 HA GLU A 40 5.411 -11.793 -39.659 1.00 0.00 H new ATOM 0 HB2 GLU A 40 5.691 -14.186 -39.752 1.00 0.00 H new ATOM 0 HB3 GLU A 40 7.281 -13.449 -39.724 1.00 0.00 H new ATOM 0 HG2 GLU A 40 7.355 -13.946 -37.215 1.00 0.00 H new ATOM 0 HG3 GLU A 40 5.883 -14.873 -37.427 1.00 0.00 H new ATOM 282 N ASP A 41 4.668 -12.142 -36.532 1.00 0.00 N ATOM 283 CA ASP A 41 3.540 -12.143 -35.571 1.00 0.00 C ATOM 284 C ASP A 41 2.590 -10.968 -35.869 1.00 0.00 C ATOM 285 O ASP A 41 1.368 -11.124 -35.832 1.00 0.00 O ATOM 286 CB ASP A 41 4.055 -12.060 -34.110 1.00 0.00 C ATOM 287 CG ASP A 41 2.916 -12.008 -33.068 1.00 0.00 C ATOM 288 OD1 ASP A 41 2.347 -13.071 -32.734 1.00 0.00 O ATOM 289 OD2 ASP A 41 2.584 -10.901 -32.576 1.00 0.00 O ATOM 0 H ASP A 41 5.558 -11.866 -36.118 1.00 0.00 H new ATOM 0 HA ASP A 41 2.994 -13.079 -35.685 1.00 0.00 H new ATOM 0 HB2 ASP A 41 4.688 -12.923 -33.905 1.00 0.00 H new ATOM 0 HB3 ASP A 41 4.680 -11.173 -34.001 1.00 0.00 H new ATOM 294 N ALA A 42 3.184 -9.793 -36.174 1.00 0.00 N ATOM 295 CA ALA A 42 2.434 -8.581 -36.580 1.00 0.00 C ATOM 296 C ALA A 42 1.642 -8.824 -37.884 1.00 0.00 C ATOM 297 O ALA A 42 0.591 -8.216 -38.119 1.00 0.00 O ATOM 298 CB ALA A 42 3.402 -7.398 -36.739 1.00 0.00 C ATOM 0 H ALA A 42 4.195 -9.657 -36.146 1.00 0.00 H new ATOM 0 HA ALA A 42 1.712 -8.343 -35.799 1.00 0.00 H new ATOM 0 HB1 ALA A 42 2.845 -6.510 -37.038 1.00 0.00 H new ATOM 0 HB2 ALA A 42 3.905 -7.209 -35.790 1.00 0.00 H new ATOM 0 HB3 ALA A 42 4.144 -7.635 -37.502 1.00 0.00 H new ATOM 304 N ILE A 43 2.172 -9.730 -38.713 1.00 0.00 N ATOM 305 CA ILE A 43 1.539 -10.169 -39.968 1.00 0.00 C ATOM 306 C ILE A 43 0.499 -11.296 -39.698 1.00 0.00 C ATOM 307 O ILE A 43 -0.573 -11.340 -40.319 1.00 0.00 O ATOM 308 CB ILE A 43 2.656 -10.646 -40.982 1.00 0.00 C ATOM 309 CG1 ILE A 43 3.714 -9.513 -41.224 1.00 0.00 C ATOM 310 CG2 ILE A 43 2.064 -11.131 -42.326 1.00 0.00 C ATOM 311 CD1 ILE A 43 3.161 -8.233 -41.842 1.00 0.00 C ATOM 0 H ILE A 43 3.065 -10.187 -38.531 1.00 0.00 H new ATOM 0 HA ILE A 43 1.000 -9.332 -40.411 1.00 0.00 H new ATOM 0 HB ILE A 43 3.154 -11.500 -40.522 1.00 0.00 H new ATOM 0 HG12 ILE A 43 4.182 -9.265 -40.272 1.00 0.00 H new ATOM 0 HG13 ILE A 43 4.498 -9.902 -41.873 1.00 0.00 H new ATOM 0 HG21 ILE A 43 2.872 -11.447 -42.986 1.00 0.00 H new ATOM 0 HG22 ILE A 43 1.393 -11.971 -42.146 1.00 0.00 H new ATOM 0 HG23 ILE A 43 1.510 -10.317 -42.794 1.00 0.00 H new ATOM 0 HD11 ILE A 43 3.969 -7.512 -41.969 1.00 0.00 H new ATOM 0 HD12 ILE A 43 2.720 -8.459 -42.813 1.00 0.00 H new ATOM 0 HD13 ILE A 43 2.399 -7.812 -41.186 1.00 0.00 H new ATOM 323 N ALA A 44 0.814 -12.176 -38.727 1.00 0.00 N ATOM 324 CA ALA A 44 0.011 -13.380 -38.414 1.00 0.00 C ATOM 325 C ALA A 44 -1.315 -13.035 -37.718 1.00 0.00 C ATOM 326 O ALA A 44 -2.338 -13.670 -37.975 1.00 0.00 O ATOM 327 CB ALA A 44 0.821 -14.351 -37.544 1.00 0.00 C ATOM 0 H ALA A 44 1.637 -12.073 -38.133 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.233 -13.856 -39.364 1.00 0.00 H new ATOM 0 HB1 ALA A 44 0.217 -15.231 -37.322 1.00 0.00 H new ATOM 0 HB2 ALA A 44 1.721 -14.654 -38.078 1.00 0.00 H new ATOM 0 HB3 ALA A 44 1.100 -13.859 -36.613 1.00 0.00 H new ATOM 333 N ARG A 45 -1.272 -12.011 -36.848 1.00 0.00 N ATOM 334 CA ARG A 45 -2.440 -11.548 -36.069 1.00 0.00 C ATOM 335 C ARG A 45 -3.555 -10.996 -36.989 1.00 0.00 C ATOM 336 O ARG A 45 -4.734 -11.009 -36.622 1.00 0.00 O ATOM 337 CB ARG A 45 -2.002 -10.458 -35.047 1.00 0.00 C ATOM 338 CG ARG A 45 -1.457 -9.169 -35.702 1.00 0.00 C ATOM 339 CD ARG A 45 -1.009 -8.097 -34.697 1.00 0.00 C ATOM 340 NE ARG A 45 -0.496 -6.900 -35.394 1.00 0.00 N ATOM 341 CZ ARG A 45 -0.123 -5.753 -34.808 1.00 0.00 C ATOM 342 NH1 ARG A 45 -0.147 -5.613 -33.487 1.00 0.00 N ATOM 343 NH2 ARG A 45 0.288 -4.747 -35.568 1.00 0.00 N ATOM 0 H ARG A 45 -0.423 -11.477 -36.663 1.00 0.00 H new ATOM 0 HA ARG A 45 -2.845 -12.406 -35.532 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -2.854 -10.202 -34.417 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -1.235 -10.874 -34.393 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -0.613 -9.428 -36.341 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -2.228 -8.748 -36.347 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -1.847 -7.819 -34.058 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -0.234 -8.504 -34.047 1.00 0.00 H new ATOM 0 HE ARG A 45 -0.419 -6.950 -36.410 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -0.453 -6.387 -32.898 1.00 0.00 H new ATOM 0 HH12 ARG A 45 0.141 -4.732 -33.062 1.00 0.00 H new ATOM 0 HH21 ARG A 45 0.317 -4.853 -36.582 1.00 0.00 H new ATOM 0 HH22 ARG A 45 0.575 -3.868 -35.138 1.00 0.00 H new ATOM 357 N ALA A 46 -3.158 -10.528 -38.193 1.00 0.00 N ATOM 358 CA ALA A 46 -4.058 -9.853 -39.137 1.00 0.00 C ATOM 359 C ALA A 46 -4.453 -10.788 -40.301 1.00 0.00 C ATOM 360 O ALA A 46 -5.602 -11.222 -40.372 1.00 0.00 O ATOM 361 CB ALA A 46 -3.386 -8.575 -39.651 1.00 0.00 C ATOM 0 H ALA A 46 -2.200 -10.611 -38.533 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.979 -9.585 -38.620 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -4.051 -8.071 -40.352 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -3.174 -7.913 -38.812 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.454 -8.831 -40.155 1.00 0.00 H new ATOM 367 N ARG A 47 -3.485 -11.115 -41.201 1.00 0.00 N ATOM 368 CA ARG A 47 -3.764 -11.900 -42.438 1.00 0.00 C ATOM 369 C ARG A 47 -3.569 -13.415 -42.226 1.00 0.00 C ATOM 370 O ARG A 47 -4.077 -14.219 -43.013 1.00 0.00 O ATOM 371 CB ARG A 47 -2.904 -11.369 -43.637 1.00 0.00 C ATOM 372 CG ARG A 47 -1.349 -11.512 -43.517 1.00 0.00 C ATOM 373 CD ARG A 47 -0.783 -12.855 -44.055 1.00 0.00 C ATOM 374 NE ARG A 47 -1.032 -13.016 -45.499 1.00 0.00 N ATOM 375 CZ ARG A 47 -1.015 -14.176 -46.178 1.00 0.00 C ATOM 376 NH1 ARG A 47 -0.804 -15.334 -45.565 1.00 0.00 N ATOM 377 NH2 ARG A 47 -1.230 -14.165 -47.483 1.00 0.00 N ATOM 0 H ARG A 47 -2.506 -10.848 -41.094 1.00 0.00 H new ATOM 0 HA ARG A 47 -4.816 -11.757 -42.685 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -3.223 -11.890 -44.539 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -3.137 -10.314 -43.779 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -0.878 -10.691 -44.058 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -1.067 -11.407 -42.469 1.00 0.00 H new ATOM 0 HD2 ARG A 47 0.289 -12.900 -43.864 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -1.238 -13.684 -43.513 1.00 0.00 H new ATOM 0 HE ARG A 47 -1.236 -12.170 -46.031 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -0.650 -15.357 -44.557 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -0.796 -16.201 -46.102 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -1.406 -13.283 -47.963 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -1.220 -15.039 -48.009 1.00 0.00 H new ATOM 391 N GLY A 48 -2.838 -13.799 -41.163 1.00 0.00 N ATOM 392 CA GLY A 48 -2.523 -15.214 -40.898 1.00 0.00 C ATOM 393 C GLY A 48 -1.287 -15.672 -41.671 1.00 0.00 C ATOM 394 O GLY A 48 -1.383 -16.026 -42.854 1.00 0.00 O ATOM 0 H GLY A 48 -2.455 -13.150 -40.475 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -2.358 -15.356 -39.830 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -3.376 -15.835 -41.174 1.00 0.00 H new ATOM 398 N GLU A 49 -0.123 -15.646 -41.003 1.00 0.00 N ATOM 399 CA GLU A 49 1.185 -15.932 -41.620 1.00 0.00 C ATOM 400 C GLU A 49 1.767 -17.212 -41.021 1.00 0.00 C ATOM 401 O GLU A 49 2.211 -18.109 -41.745 1.00 0.00 O ATOM 402 CB GLU A 49 2.151 -14.739 -41.402 1.00 0.00 C ATOM 403 CG GLU A 49 3.514 -14.884 -42.104 1.00 0.00 C ATOM 404 CD GLU A 49 3.373 -15.104 -43.624 1.00 0.00 C ATOM 405 OE1 GLU A 49 3.109 -14.120 -44.357 1.00 0.00 O ATOM 406 OE2 GLU A 49 3.519 -16.255 -44.094 1.00 0.00 O ATOM 0 H GLU A 49 -0.061 -15.424 -40.009 1.00 0.00 H new ATOM 0 HA GLU A 49 1.053 -16.074 -42.693 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.669 -13.828 -41.757 1.00 0.00 H new ATOM 0 HB3 GLU A 49 2.319 -14.615 -40.332 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.110 -13.989 -41.923 1.00 0.00 H new ATOM 0 HG3 GLU A 49 4.057 -15.722 -41.667 1.00 0.00 H new ATOM 413 N ILE A 50 1.799 -17.258 -39.681 1.00 0.00 N ATOM 414 CA ILE A 50 2.085 -18.484 -38.931 1.00 0.00 C ATOM 415 C ILE A 50 1.034 -19.566 -39.324 1.00 0.00 C ATOM 416 O ILE A 50 -0.141 -19.232 -39.507 1.00 0.00 O ATOM 417 CB ILE A 50 2.059 -18.198 -37.372 1.00 0.00 C ATOM 418 CG1 ILE A 50 3.177 -17.184 -36.962 1.00 0.00 C ATOM 419 CG2 ILE A 50 2.172 -19.499 -36.542 1.00 0.00 C ATOM 420 CD1 ILE A 50 4.599 -17.697 -37.145 1.00 0.00 C ATOM 0 H ILE A 50 1.627 -16.445 -39.089 1.00 0.00 H new ATOM 0 HA ILE A 50 3.082 -18.848 -39.178 1.00 0.00 H new ATOM 0 HB ILE A 50 1.091 -17.749 -37.149 1.00 0.00 H new ATOM 0 HG12 ILE A 50 3.055 -16.273 -37.548 1.00 0.00 H new ATOM 0 HG13 ILE A 50 3.035 -16.911 -35.916 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.150 -19.256 -35.480 1.00 0.00 H new ATOM 0 HG22 ILE A 50 1.336 -20.157 -36.781 1.00 0.00 H new ATOM 0 HG23 ILE A 50 3.109 -20.002 -36.780 1.00 0.00 H new ATOM 0 HD11 ILE A 50 5.306 -16.927 -36.836 1.00 0.00 H new ATOM 0 HD12 ILE A 50 4.745 -18.590 -36.537 1.00 0.00 H new ATOM 0 HD13 ILE A 50 4.765 -17.942 -38.194 1.00 0.00 H new ATOM 432 N PRO A 51 1.437 -20.852 -39.540 1.00 0.00 N ATOM 433 CA PRO A 51 0.472 -21.941 -39.818 1.00 0.00 C ATOM 434 C PRO A 51 -0.249 -22.449 -38.541 1.00 0.00 C ATOM 435 O PRO A 51 -0.300 -21.759 -37.510 1.00 0.00 O ATOM 436 CB PRO A 51 1.382 -23.021 -40.453 1.00 0.00 C ATOM 437 CG PRO A 51 2.696 -22.839 -39.773 1.00 0.00 C ATOM 438 CD PRO A 51 2.846 -21.345 -39.576 1.00 0.00 C ATOM 0 HA PRO A 51 -0.354 -21.632 -40.458 1.00 0.00 H new ATOM 0 HB2 PRO A 51 0.985 -24.023 -40.290 1.00 0.00 H new ATOM 0 HB3 PRO A 51 1.469 -22.885 -41.531 1.00 0.00 H new ATOM 0 HG2 PRO A 51 2.720 -23.365 -38.819 1.00 0.00 H new ATOM 0 HG3 PRO A 51 3.510 -23.239 -40.378 1.00 0.00 H new ATOM 0 HD2 PRO A 51 3.375 -21.114 -38.652 1.00 0.00 H new ATOM 0 HD3 PRO A 51 3.410 -20.888 -40.389 1.00 0.00 H new ATOM 446 N ARG A 52 -0.783 -23.678 -38.638 1.00 0.00 N ATOM 447 CA ARG A 52 -1.483 -24.401 -37.546 1.00 0.00 C ATOM 448 C ARG A 52 -0.539 -24.888 -36.399 1.00 0.00 C ATOM 449 O ARG A 52 -0.931 -25.763 -35.612 1.00 0.00 O ATOM 450 CB ARG A 52 -2.324 -25.596 -38.158 1.00 0.00 C ATOM 451 CG ARG A 52 -1.688 -26.349 -39.378 1.00 0.00 C ATOM 452 CD ARG A 52 -0.316 -27.003 -39.092 1.00 0.00 C ATOM 453 NE ARG A 52 -0.398 -28.049 -38.057 1.00 0.00 N ATOM 454 CZ ARG A 52 0.632 -28.739 -37.564 1.00 0.00 C ATOM 455 NH1 ARG A 52 1.873 -28.459 -37.917 1.00 0.00 N ATOM 456 NH2 ARG A 52 0.410 -29.700 -36.695 1.00 0.00 N ATOM 0 H ARG A 52 -0.742 -24.218 -39.502 1.00 0.00 H new ATOM 0 HA ARG A 52 -2.154 -23.687 -37.068 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -2.508 -26.323 -37.367 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -3.295 -25.207 -38.466 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -2.381 -27.122 -39.711 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -1.575 -25.645 -40.203 1.00 0.00 H new ATOM 0 HD2 ARG A 52 0.076 -27.436 -40.012 1.00 0.00 H new ATOM 0 HD3 ARG A 52 0.390 -26.236 -38.774 1.00 0.00 H new ATOM 0 HE ARG A 52 -1.323 -28.264 -37.685 1.00 0.00 H new ATOM 0 HH11 ARG A 52 2.057 -27.704 -38.577 1.00 0.00 H new ATOM 0 HH12 ARG A 52 2.647 -28.998 -37.529 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -0.544 -29.913 -36.403 1.00 0.00 H new ATOM 0 HH22 ARG A 52 1.191 -30.233 -36.313 1.00 0.00 H new ATOM 470 N GLY A 53 0.679 -24.309 -36.299 1.00 0.00 N ATOM 471 CA GLY A 53 1.646 -24.684 -35.272 1.00 0.00 C ATOM 472 C GLY A 53 1.278 -24.154 -33.889 1.00 0.00 C ATOM 473 O GLY A 53 1.151 -24.931 -32.937 1.00 0.00 O ATOM 0 H GLY A 53 1.006 -23.576 -36.928 1.00 0.00 H new ATOM 0 HA2 GLY A 53 1.722 -25.771 -35.231 1.00 0.00 H new ATOM 0 HA3 GLY A 53 2.630 -24.306 -35.551 1.00 0.00 H new ATOM 477 N GLU A 54 1.103 -22.819 -33.785 1.00 0.00 N ATOM 478 CA GLU A 54 0.792 -22.139 -32.496 1.00 0.00 C ATOM 479 C GLU A 54 -0.635 -22.456 -32.001 1.00 0.00 C ATOM 480 O GLU A 54 -0.913 -22.395 -30.799 1.00 0.00 O ATOM 481 CB GLU A 54 0.988 -20.597 -32.605 1.00 0.00 C ATOM 482 CG GLU A 54 2.412 -20.141 -32.979 1.00 0.00 C ATOM 483 CD GLU A 54 3.496 -20.593 -31.983 1.00 0.00 C ATOM 484 OE1 GLU A 54 3.613 -19.981 -30.902 1.00 0.00 O ATOM 485 OE2 GLU A 54 4.212 -21.586 -32.262 1.00 0.00 O ATOM 0 H GLU A 54 1.171 -22.183 -34.579 1.00 0.00 H new ATOM 0 HA GLU A 54 1.497 -22.531 -31.762 1.00 0.00 H new ATOM 0 HB2 GLU A 54 0.293 -20.210 -33.350 1.00 0.00 H new ATOM 0 HB3 GLU A 54 0.718 -20.144 -31.651 1.00 0.00 H new ATOM 0 HG2 GLU A 54 2.658 -20.527 -33.968 1.00 0.00 H new ATOM 0 HG3 GLU A 54 2.428 -19.053 -33.049 1.00 0.00 H new ATOM 492 N SER A 55 -1.531 -22.782 -32.944 1.00 0.00 N ATOM 493 CA SER A 55 -2.937 -23.090 -32.657 1.00 0.00 C ATOM 494 C SER A 55 -3.083 -24.542 -32.152 1.00 0.00 C ATOM 495 O SER A 55 -2.624 -25.488 -32.806 1.00 0.00 O ATOM 496 CB SER A 55 -3.766 -22.833 -33.929 1.00 0.00 C ATOM 497 OG SER A 55 -3.245 -23.511 -35.050 1.00 0.00 O ATOM 0 H SER A 55 -1.297 -22.839 -33.935 1.00 0.00 H new ATOM 0 HA SER A 55 -3.309 -22.445 -31.861 1.00 0.00 H new ATOM 0 HB2 SER A 55 -4.795 -23.151 -33.760 1.00 0.00 H new ATOM 0 HB3 SER A 55 -3.792 -21.763 -34.134 1.00 0.00 H new ATOM 0 HG SER A 55 -2.765 -24.312 -34.754 1.00 0.00 H new ATOM 503 N LEU A 56 -3.712 -24.691 -30.969 1.00 0.00 N ATOM 504 CA LEU A 56 -3.845 -25.990 -30.260 1.00 0.00 C ATOM 505 C LEU A 56 -5.091 -26.783 -30.732 1.00 0.00 C ATOM 506 O LEU A 56 -5.822 -26.333 -31.622 1.00 0.00 O ATOM 507 CB LEU A 56 -3.845 -25.740 -28.707 1.00 0.00 C ATOM 508 CG LEU A 56 -4.734 -24.551 -28.174 1.00 0.00 C ATOM 509 CD1 LEU A 56 -6.233 -24.764 -28.418 1.00 0.00 C ATOM 510 CD2 LEU A 56 -4.470 -24.234 -26.686 1.00 0.00 C ATOM 0 H LEU A 56 -4.146 -23.913 -30.472 1.00 0.00 H new ATOM 0 HA LEU A 56 -2.988 -26.616 -30.507 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.174 -26.656 -28.216 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -2.817 -25.562 -28.392 1.00 0.00 H new ATOM 0 HG LEU A 56 -4.428 -23.685 -28.762 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -6.790 -23.912 -28.029 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -6.417 -24.860 -29.488 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -6.559 -25.672 -27.911 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -5.108 -23.408 -26.371 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -4.691 -25.114 -26.082 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -3.425 -23.956 -26.553 1.00 0.00 H new ATOM 522 N ASP A 57 -5.338 -27.937 -30.085 1.00 0.00 N ATOM 523 CA ASP A 57 -6.426 -28.871 -30.451 1.00 0.00 C ATOM 524 C ASP A 57 -7.519 -28.926 -29.344 1.00 0.00 C ATOM 525 O ASP A 57 -8.618 -29.438 -29.568 1.00 0.00 O ATOM 526 CB ASP A 57 -5.814 -30.277 -30.689 1.00 0.00 C ATOM 527 CG ASP A 57 -6.820 -31.293 -31.253 1.00 0.00 C ATOM 528 OD1 ASP A 57 -7.190 -31.155 -32.435 1.00 0.00 O ATOM 529 OD2 ASP A 57 -7.256 -32.213 -30.523 1.00 0.00 O ATOM 0 H ASP A 57 -4.786 -28.252 -29.287 1.00 0.00 H new ATOM 0 HA ASP A 57 -6.910 -28.520 -31.362 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -4.974 -30.188 -31.378 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -5.415 -30.656 -29.748 1.00 0.00 H new ATOM 534 N GLU A 58 -7.239 -28.315 -28.175 1.00 0.00 N ATOM 535 CA GLU A 58 -8.069 -28.431 -26.945 1.00 0.00 C ATOM 536 C GLU A 58 -8.221 -27.048 -26.295 1.00 0.00 C ATOM 537 O GLU A 58 -7.229 -26.436 -25.900 1.00 0.00 O ATOM 538 CB GLU A 58 -7.437 -29.426 -25.927 1.00 0.00 C ATOM 539 CG GLU A 58 -7.492 -30.897 -26.372 1.00 0.00 C ATOM 540 CD GLU A 58 -6.647 -31.818 -25.484 1.00 0.00 C ATOM 541 OE1 GLU A 58 -5.400 -31.759 -25.577 1.00 0.00 O ATOM 542 OE2 GLU A 58 -7.207 -32.598 -24.689 1.00 0.00 O ATOM 0 H GLU A 58 -6.421 -27.718 -28.051 1.00 0.00 H new ATOM 0 HA GLU A 58 -9.049 -28.816 -27.229 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -6.397 -29.147 -25.760 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -7.951 -29.327 -24.971 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -8.527 -31.237 -26.359 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -7.144 -30.974 -27.402 1.00 0.00 H new ATOM 549 N CYS A 59 -9.472 -26.569 -26.240 1.00 0.00 N ATOM 550 CA CYS A 59 -9.861 -25.279 -25.628 1.00 0.00 C ATOM 551 C CYS A 59 -9.316 -25.114 -24.189 1.00 0.00 C ATOM 552 O CYS A 59 -9.495 -26.003 -23.367 1.00 0.00 O ATOM 553 CB CYS A 59 -11.395 -25.218 -25.626 1.00 0.00 C ATOM 554 SG CYS A 59 -12.126 -23.739 -24.890 1.00 0.00 S ATOM 0 H CYS A 59 -10.266 -27.077 -26.629 1.00 0.00 H new ATOM 0 HA CYS A 59 -9.429 -24.464 -26.209 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -11.744 -25.298 -26.656 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -11.773 -26.090 -25.093 1.00 0.00 H new ATOM 559 N GLU A 60 -8.658 -23.971 -23.902 1.00 0.00 N ATOM 560 CA GLU A 60 -8.088 -23.675 -22.565 1.00 0.00 C ATOM 561 C GLU A 60 -9.186 -23.441 -21.497 1.00 0.00 C ATOM 562 O GLU A 60 -8.932 -23.565 -20.294 1.00 0.00 O ATOM 563 CB GLU A 60 -7.151 -22.434 -22.638 1.00 0.00 C ATOM 564 CG GLU A 60 -7.868 -21.111 -23.013 1.00 0.00 C ATOM 565 CD GLU A 60 -7.058 -19.848 -22.680 1.00 0.00 C ATOM 566 OE1 GLU A 60 -6.816 -19.595 -21.482 1.00 0.00 O ATOM 567 OE2 GLU A 60 -6.677 -19.091 -23.592 1.00 0.00 O ATOM 0 H GLU A 60 -8.506 -23.229 -24.585 1.00 0.00 H new ATOM 0 HA GLU A 60 -7.514 -24.551 -22.262 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -6.661 -22.307 -21.673 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -6.367 -22.628 -23.370 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -8.088 -21.119 -24.080 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -8.824 -21.066 -22.491 1.00 0.00 H new ATOM 574 N GLU A 61 -10.400 -23.112 -21.966 1.00 0.00 N ATOM 575 CA GLU A 61 -11.529 -22.717 -21.108 1.00 0.00 C ATOM 576 C GLU A 61 -12.311 -23.946 -20.650 1.00 0.00 C ATOM 577 O GLU A 61 -12.435 -24.206 -19.453 1.00 0.00 O ATOM 578 CB GLU A 61 -12.453 -21.753 -21.902 1.00 0.00 C ATOM 579 CG GLU A 61 -11.730 -20.537 -22.503 1.00 0.00 C ATOM 580 CD GLU A 61 -11.241 -19.509 -21.466 1.00 0.00 C ATOM 581 OE1 GLU A 61 -10.233 -19.766 -20.781 1.00 0.00 O ATOM 582 OE2 GLU A 61 -11.878 -18.442 -21.325 1.00 0.00 O ATOM 0 H GLU A 61 -10.628 -23.113 -22.960 1.00 0.00 H new ATOM 0 HA GLU A 61 -11.149 -22.211 -20.220 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -12.934 -22.309 -22.707 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -13.245 -21.400 -21.241 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -10.874 -20.887 -23.080 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -12.403 -20.039 -23.201 1.00 0.00 H new ATOM 589 N CYS A 62 -12.811 -24.725 -21.626 1.00 0.00 N ATOM 590 CA CYS A 62 -13.747 -25.837 -21.348 1.00 0.00 C ATOM 591 C CYS A 62 -13.274 -27.180 -21.949 1.00 0.00 C ATOM 592 O CYS A 62 -14.042 -28.147 -21.957 1.00 0.00 O ATOM 593 CB CYS A 62 -15.162 -25.450 -21.853 1.00 0.00 C ATOM 594 SG CYS A 62 -15.381 -25.431 -23.672 1.00 0.00 S ATOM 0 H CYS A 62 -12.585 -24.608 -22.614 1.00 0.00 H new ATOM 0 HA CYS A 62 -13.779 -25.995 -20.270 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -15.883 -26.147 -21.426 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -15.408 -24.461 -21.466 1.00 0.00 H new ATOM 599 N GLY A 63 -11.995 -27.232 -22.407 1.00 0.00 N ATOM 600 CA GLY A 63 -11.389 -28.439 -23.029 1.00 0.00 C ATOM 601 C GLY A 63 -12.173 -29.022 -24.201 1.00 0.00 C ATOM 602 O GLY A 63 -12.056 -30.214 -24.505 1.00 0.00 O ATOM 0 H GLY A 63 -11.356 -26.439 -22.355 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -10.385 -28.188 -23.372 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -11.282 -29.208 -22.264 1.00 0.00 H new ATOM 606 N ALA A 64 -12.965 -28.169 -24.859 1.00 0.00 N ATOM 607 CA ALA A 64 -13.798 -28.559 -26.008 1.00 0.00 C ATOM 608 C ALA A 64 -12.926 -28.724 -27.269 1.00 0.00 C ATOM 609 O ALA A 64 -11.911 -28.009 -27.400 1.00 0.00 O ATOM 610 CB ALA A 64 -14.892 -27.512 -26.231 1.00 0.00 C ATOM 0 H ALA A 64 -13.049 -27.183 -24.611 1.00 0.00 H new ATOM 0 HA ALA A 64 -14.273 -29.518 -25.800 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -15.507 -27.804 -27.082 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -15.516 -27.442 -25.340 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -14.433 -26.543 -26.430 1.00 0.00 H new ATOM 616 N PRO A 65 -13.314 -29.636 -28.218 1.00 0.00 N ATOM 617 CA PRO A 65 -12.561 -29.856 -29.471 1.00 0.00 C ATOM 618 C PRO A 65 -12.461 -28.570 -30.330 1.00 0.00 C ATOM 619 O PRO A 65 -13.473 -28.019 -30.771 1.00 0.00 O ATOM 620 CB PRO A 65 -13.360 -30.982 -30.195 1.00 0.00 C ATOM 621 CG PRO A 65 -14.721 -30.955 -29.568 1.00 0.00 C ATOM 622 CD PRO A 65 -14.500 -30.538 -28.133 1.00 0.00 C ATOM 0 HA PRO A 65 -11.523 -30.134 -29.286 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -13.416 -30.799 -31.268 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -12.883 -31.953 -30.062 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -15.376 -30.253 -30.084 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -15.197 -31.934 -29.623 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -15.369 -30.022 -27.725 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -14.308 -31.396 -27.489 1.00 0.00 H new ATOM 630 N ILE A 66 -11.225 -28.076 -30.479 1.00 0.00 N ATOM 631 CA ILE A 66 -10.888 -26.952 -31.362 1.00 0.00 C ATOM 632 C ILE A 66 -10.942 -27.420 -32.833 1.00 0.00 C ATOM 633 O ILE A 66 -10.156 -28.301 -33.207 1.00 0.00 O ATOM 634 CB ILE A 66 -9.441 -26.415 -31.029 1.00 0.00 C ATOM 635 CG1 ILE A 66 -9.356 -25.933 -29.555 1.00 0.00 C ATOM 636 CG2 ILE A 66 -9.001 -25.299 -32.015 1.00 0.00 C ATOM 637 CD1 ILE A 66 -9.901 -24.561 -29.305 1.00 0.00 C ATOM 0 H ILE A 66 -10.418 -28.452 -29.981 1.00 0.00 H new ATOM 0 HA ILE A 66 -11.608 -26.148 -31.207 1.00 0.00 H new ATOM 0 HB ILE A 66 -8.745 -27.244 -31.153 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -9.894 -26.642 -28.925 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -8.313 -25.956 -29.241 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -8.000 -24.956 -31.753 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -8.995 -25.693 -33.031 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -9.699 -24.464 -31.954 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -9.797 -24.315 -28.248 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -9.349 -23.836 -29.902 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -10.955 -24.532 -29.582 1.00 0.00 H new ATOM 649 N PRO A 67 -11.873 -26.880 -33.682 1.00 0.00 N ATOM 650 CA PRO A 67 -11.923 -27.222 -35.122 1.00 0.00 C ATOM 651 C PRO A 67 -10.794 -26.507 -35.893 1.00 0.00 C ATOM 652 O PRO A 67 -10.312 -25.445 -35.460 1.00 0.00 O ATOM 653 CB PRO A 67 -13.325 -26.722 -35.551 1.00 0.00 C ATOM 654 CG PRO A 67 -13.590 -25.553 -34.647 1.00 0.00 C ATOM 655 CD PRO A 67 -12.932 -25.896 -33.319 1.00 0.00 C ATOM 0 HA PRO A 67 -11.777 -28.283 -35.326 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -13.339 -26.426 -36.600 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -14.080 -27.499 -35.429 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -13.175 -24.635 -35.063 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -14.661 -25.390 -34.522 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -12.508 -25.011 -32.844 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -13.649 -26.322 -32.617 1.00 0.00 H new ATOM 663 N GLN A 68 -10.393 -27.085 -37.042 1.00 0.00 N ATOM 664 CA GLN A 68 -9.301 -26.541 -37.864 1.00 0.00 C ATOM 665 C GLN A 68 -9.648 -25.163 -38.448 1.00 0.00 C ATOM 666 O GLN A 68 -8.742 -24.434 -38.814 1.00 0.00 O ATOM 667 CB GLN A 68 -8.881 -27.501 -39.000 1.00 0.00 C ATOM 668 CG GLN A 68 -10.010 -27.908 -39.985 1.00 0.00 C ATOM 669 CD GLN A 68 -9.540 -28.092 -41.427 1.00 0.00 C ATOM 670 OE1 GLN A 68 -8.716 -27.171 -41.914 1.00 0.00 O flip ATOM 671 NE2 GLN A 68 -10.000 -28.987 -42.137 1.00 0.00 N flip ATOM 0 H GLN A 68 -10.814 -27.933 -37.421 1.00 0.00 H new ATOM 0 HA GLN A 68 -8.454 -26.427 -37.187 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -8.078 -27.033 -39.569 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -8.469 -28.406 -38.553 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -10.462 -28.838 -39.640 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -10.790 -27.147 -39.962 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -10.631 -29.682 -41.737 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -9.750 -29.034 -43.125 1.00 0.00 H new ATOM 680 N ALA A 69 -10.956 -24.822 -38.507 1.00 0.00 N ATOM 681 CA ALA A 69 -11.433 -23.507 -38.996 1.00 0.00 C ATOM 682 C ALA A 69 -10.929 -22.377 -38.083 1.00 0.00 C ATOM 683 O ALA A 69 -10.647 -21.271 -38.541 1.00 0.00 O ATOM 684 CB ALA A 69 -12.970 -23.489 -39.088 1.00 0.00 C ATOM 0 H ALA A 69 -11.708 -25.448 -38.218 1.00 0.00 H new ATOM 0 HA ALA A 69 -11.030 -23.344 -39.996 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -13.302 -22.515 -39.449 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -13.302 -24.264 -39.778 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -13.396 -23.675 -38.102 1.00 0.00 H new ATOM 690 N ARG A 70 -10.838 -22.676 -36.773 1.00 0.00 N ATOM 691 CA ARG A 70 -10.236 -21.766 -35.777 1.00 0.00 C ATOM 692 C ARG A 70 -8.704 -21.728 -35.914 1.00 0.00 C ATOM 693 O ARG A 70 -8.085 -20.682 -35.732 1.00 0.00 O ATOM 694 CB ARG A 70 -10.630 -22.193 -34.331 1.00 0.00 C ATOM 695 CG ARG A 70 -12.128 -22.023 -33.957 1.00 0.00 C ATOM 696 CD ARG A 70 -12.595 -20.544 -33.890 1.00 0.00 C ATOM 697 NE ARG A 70 -12.659 -19.899 -35.220 1.00 0.00 N ATOM 698 CZ ARG A 70 -12.692 -18.574 -35.450 1.00 0.00 C ATOM 699 NH1 ARG A 70 -12.742 -17.703 -34.451 1.00 0.00 N ATOM 700 NH2 ARG A 70 -12.685 -18.130 -36.697 1.00 0.00 N ATOM 0 H ARG A 70 -11.178 -23.552 -36.375 1.00 0.00 H new ATOM 0 HA ARG A 70 -10.624 -20.765 -35.967 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -10.358 -23.240 -34.196 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -10.032 -21.615 -33.627 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -12.738 -22.554 -34.688 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -12.307 -22.495 -32.991 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -13.579 -20.500 -33.423 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -11.913 -19.982 -33.252 1.00 0.00 H new ATOM 0 HE ARG A 70 -12.680 -20.513 -36.034 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -12.756 -18.034 -33.486 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -12.766 -16.702 -34.648 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -12.655 -18.791 -37.473 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -12.710 -17.127 -36.881 1.00 0.00 H new ATOM 714 N ARG A 71 -8.111 -22.887 -36.246 1.00 0.00 N ATOM 715 CA ARG A 71 -6.642 -23.085 -36.242 1.00 0.00 C ATOM 716 C ARG A 71 -5.956 -22.442 -37.458 1.00 0.00 C ATOM 717 O ARG A 71 -4.812 -21.985 -37.358 1.00 0.00 O ATOM 718 CB ARG A 71 -6.316 -24.599 -36.173 1.00 0.00 C ATOM 719 CG ARG A 71 -6.968 -25.305 -34.969 1.00 0.00 C ATOM 720 CD ARG A 71 -6.559 -26.775 -34.833 1.00 0.00 C ATOM 721 NE ARG A 71 -5.137 -26.915 -34.497 1.00 0.00 N ATOM 722 CZ ARG A 71 -4.486 -28.073 -34.379 1.00 0.00 C ATOM 723 NH1 ARG A 71 -5.090 -29.231 -34.606 1.00 0.00 N ATOM 724 NH2 ARG A 71 -3.218 -28.069 -34.048 1.00 0.00 N ATOM 0 H ARG A 71 -8.633 -23.717 -36.526 1.00 0.00 H new ATOM 0 HA ARG A 71 -6.247 -22.584 -35.358 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -6.651 -25.079 -37.093 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -5.235 -24.730 -36.121 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -6.698 -24.774 -34.056 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -8.052 -25.244 -35.065 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -7.164 -27.251 -34.061 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -6.765 -27.298 -35.767 1.00 0.00 H new ATOM 0 HE ARG A 71 -4.605 -26.059 -34.341 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -6.073 -29.249 -34.877 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -4.572 -30.104 -34.509 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -2.737 -27.185 -33.883 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -2.712 -28.950 -33.955 1.00 0.00 H new ATOM 738 N GLU A 72 -6.661 -22.428 -38.599 1.00 0.00 N ATOM 739 CA GLU A 72 -6.142 -21.874 -39.862 1.00 0.00 C ATOM 740 C GLU A 72 -6.370 -20.356 -39.878 1.00 0.00 C ATOM 741 O GLU A 72 -5.458 -19.584 -40.211 1.00 0.00 O ATOM 742 CB GLU A 72 -6.809 -22.562 -41.092 1.00 0.00 C ATOM 743 CG GLU A 72 -8.347 -22.440 -41.152 1.00 0.00 C ATOM 744 CD GLU A 72 -8.978 -23.149 -42.353 1.00 0.00 C ATOM 745 OE1 GLU A 72 -9.050 -22.538 -43.441 1.00 0.00 O ATOM 746 OE2 GLU A 72 -9.384 -24.327 -42.224 1.00 0.00 O ATOM 0 H GLU A 72 -7.608 -22.800 -38.674 1.00 0.00 H new ATOM 0 HA GLU A 72 -5.072 -22.072 -39.929 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -6.390 -22.132 -42.002 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -6.543 -23.619 -41.087 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -8.771 -22.851 -40.236 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -8.617 -21.384 -41.182 1.00 0.00 H new ATOM 753 N ALA A 73 -7.589 -19.942 -39.468 1.00 0.00 N ATOM 754 CA ALA A 73 -7.986 -18.521 -39.419 1.00 0.00 C ATOM 755 C ALA A 73 -7.139 -17.755 -38.393 1.00 0.00 C ATOM 756 O ALA A 73 -6.600 -16.685 -38.683 1.00 0.00 O ATOM 757 CB ALA A 73 -9.480 -18.390 -39.063 1.00 0.00 C ATOM 0 H ALA A 73 -8.322 -20.583 -39.163 1.00 0.00 H new ATOM 0 HA ALA A 73 -7.817 -18.090 -40.406 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -9.755 -17.336 -39.031 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -10.080 -18.899 -39.817 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -9.663 -18.842 -38.088 1.00 0.00 H new ATOM 763 N ILE A 74 -7.038 -18.334 -37.184 1.00 0.00 N ATOM 764 CA ILE A 74 -6.292 -17.747 -36.064 1.00 0.00 C ATOM 765 C ILE A 74 -5.052 -18.615 -35.766 1.00 0.00 C ATOM 766 O ILE A 74 -5.181 -19.693 -35.157 1.00 0.00 O ATOM 767 CB ILE A 74 -7.193 -17.629 -34.777 1.00 0.00 C ATOM 768 CG1 ILE A 74 -8.578 -16.994 -35.135 1.00 0.00 C ATOM 769 CG2 ILE A 74 -6.466 -16.822 -33.666 1.00 0.00 C ATOM 770 CD1 ILE A 74 -9.544 -16.890 -33.972 1.00 0.00 C ATOM 0 H ILE A 74 -7.475 -19.227 -36.958 1.00 0.00 H new ATOM 0 HA ILE A 74 -5.979 -16.741 -36.344 1.00 0.00 H new ATOM 0 HB ILE A 74 -7.375 -18.631 -34.388 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -8.411 -15.997 -35.542 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -9.042 -17.587 -35.924 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -7.107 -16.754 -32.787 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -5.537 -17.326 -33.399 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -6.243 -15.820 -34.031 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -10.476 -16.439 -34.312 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -9.746 -17.885 -33.577 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -9.106 -16.271 -33.189 1.00 0.00 H new ATOM 782 N PRO A 75 -3.834 -18.178 -36.217 1.00 0.00 N ATOM 783 CA PRO A 75 -2.571 -18.916 -35.988 1.00 0.00 C ATOM 784 C PRO A 75 -2.049 -18.736 -34.545 1.00 0.00 C ATOM 785 O PRO A 75 -1.035 -18.071 -34.290 1.00 0.00 O ATOM 786 CB PRO A 75 -1.633 -18.293 -37.038 1.00 0.00 C ATOM 787 CG PRO A 75 -2.096 -16.878 -37.178 1.00 0.00 C ATOM 788 CD PRO A 75 -3.597 -16.923 -36.996 1.00 0.00 C ATOM 0 HA PRO A 75 -2.671 -19.997 -36.091 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -0.593 -18.338 -36.715 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -1.695 -18.825 -37.988 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -1.629 -16.237 -36.430 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -1.831 -16.473 -38.155 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -3.960 -16.046 -36.459 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -4.114 -16.946 -37.955 1.00 0.00 H new ATOM 796 N GLY A 76 -2.779 -19.346 -33.615 1.00 0.00 N ATOM 797 CA GLY A 76 -2.530 -19.208 -32.181 1.00 0.00 C ATOM 798 C GLY A 76 -3.826 -19.173 -31.392 1.00 0.00 C ATOM 799 O GLY A 76 -3.917 -18.493 -30.361 1.00 0.00 O ATOM 0 H GLY A 76 -3.567 -19.955 -33.836 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -1.915 -20.039 -31.836 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -1.965 -18.295 -31.995 1.00 0.00 H new ATOM 803 N VAL A 77 -4.848 -19.910 -31.886 1.00 0.00 N ATOM 804 CA VAL A 77 -6.151 -19.996 -31.222 1.00 0.00 C ATOM 805 C VAL A 77 -6.037 -20.912 -29.996 1.00 0.00 C ATOM 806 O VAL A 77 -5.318 -21.919 -30.023 1.00 0.00 O ATOM 807 CB VAL A 77 -7.296 -20.508 -32.180 1.00 0.00 C ATOM 808 CG1 VAL A 77 -7.069 -21.971 -32.636 1.00 0.00 C ATOM 809 CG2 VAL A 77 -8.688 -20.333 -31.526 1.00 0.00 C ATOM 0 H VAL A 77 -4.785 -20.453 -32.747 1.00 0.00 H new ATOM 0 HA VAL A 77 -6.430 -18.987 -30.916 1.00 0.00 H new ATOM 0 HB VAL A 77 -7.263 -19.890 -33.077 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -7.883 -22.278 -33.293 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -6.123 -22.042 -33.172 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -7.042 -22.624 -31.764 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -9.458 -20.694 -32.208 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -8.728 -20.904 -30.598 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -8.859 -19.278 -31.311 1.00 0.00 H new ATOM 819 N ARG A 78 -6.723 -20.523 -28.918 1.00 0.00 N ATOM 820 CA ARG A 78 -6.735 -21.263 -27.640 1.00 0.00 C ATOM 821 C ARG A 78 -8.188 -21.529 -27.206 1.00 0.00 C ATOM 822 O ARG A 78 -8.444 -22.252 -26.250 1.00 0.00 O ATOM 823 CB ARG A 78 -5.927 -20.507 -26.515 1.00 0.00 C ATOM 824 CG ARG A 78 -5.035 -19.323 -26.992 1.00 0.00 C ATOM 825 CD ARG A 78 -5.836 -18.024 -27.239 1.00 0.00 C ATOM 826 NE ARG A 78 -6.323 -17.444 -25.973 1.00 0.00 N ATOM 827 CZ ARG A 78 -6.071 -16.207 -25.533 1.00 0.00 C ATOM 828 NH1 ARG A 78 -5.449 -15.321 -26.300 1.00 0.00 N ATOM 829 NH2 ARG A 78 -6.461 -15.861 -24.323 1.00 0.00 N ATOM 0 H ARG A 78 -7.294 -19.678 -28.901 1.00 0.00 H new ATOM 0 HA ARG A 78 -6.234 -22.219 -27.793 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -6.636 -20.128 -25.779 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -5.292 -21.230 -26.003 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -4.265 -19.132 -26.245 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -4.523 -19.608 -27.911 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -5.207 -17.299 -27.755 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -6.682 -18.235 -27.894 1.00 0.00 H new ATOM 0 HE ARG A 78 -6.903 -18.039 -25.381 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -5.155 -15.579 -27.242 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -5.265 -14.382 -25.948 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -6.950 -16.534 -23.733 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -6.274 -14.920 -23.977 1.00 0.00 H new ATOM 843 N LEU A 79 -9.136 -20.964 -27.958 1.00 0.00 N ATOM 844 CA LEU A 79 -10.557 -20.910 -27.595 1.00 0.00 C ATOM 845 C LEU A 79 -11.393 -21.621 -28.663 1.00 0.00 C ATOM 846 O LEU A 79 -11.243 -21.332 -29.853 1.00 0.00 O ATOM 847 CB LEU A 79 -10.970 -19.423 -27.494 1.00 0.00 C ATOM 848 CG LEU A 79 -10.093 -18.548 -26.552 1.00 0.00 C ATOM 849 CD1 LEU A 79 -10.366 -17.048 -26.759 1.00 0.00 C ATOM 850 CD2 LEU A 79 -10.296 -18.954 -25.091 1.00 0.00 C ATOM 0 H LEU A 79 -8.934 -20.522 -28.855 1.00 0.00 H new ATOM 0 HA LEU A 79 -10.725 -21.409 -26.641 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -10.945 -18.988 -28.493 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -12.003 -19.373 -27.150 1.00 0.00 H new ATOM 0 HG LEU A 79 -9.049 -18.724 -26.809 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -9.736 -16.467 -26.085 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -10.141 -16.776 -27.790 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -11.414 -16.837 -26.549 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -9.674 -18.330 -24.450 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -11.343 -18.823 -24.819 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -10.016 -19.999 -24.962 1.00 0.00 H new ATOM 862 N CYS A 80 -12.253 -22.572 -28.240 1.00 0.00 N ATOM 863 CA CYS A 80 -13.204 -23.253 -29.153 1.00 0.00 C ATOM 864 C CYS A 80 -14.210 -22.219 -29.644 1.00 0.00 C ATOM 865 O CYS A 80 -14.396 -21.221 -28.956 1.00 0.00 O ATOM 866 CB CYS A 80 -13.908 -24.429 -28.435 1.00 0.00 C ATOM 867 SG CYS A 80 -15.156 -23.925 -27.216 1.00 0.00 S ATOM 0 H CYS A 80 -12.310 -22.888 -27.272 1.00 0.00 H new ATOM 0 HA CYS A 80 -12.671 -23.677 -30.004 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -14.384 -25.063 -29.183 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -13.154 -25.037 -27.935 1.00 0.00 H new ATOM 872 N ILE A 81 -14.887 -22.481 -30.780 1.00 0.00 N ATOM 873 CA ILE A 81 -15.681 -21.460 -31.523 1.00 0.00 C ATOM 874 C ILE A 81 -16.678 -20.690 -30.609 1.00 0.00 C ATOM 875 O ILE A 81 -16.941 -19.506 -30.821 1.00 0.00 O ATOM 876 CB ILE A 81 -16.431 -22.122 -32.755 1.00 0.00 C ATOM 877 CG1 ILE A 81 -17.301 -21.073 -33.544 1.00 0.00 C ATOM 878 CG2 ILE A 81 -17.269 -23.353 -32.321 1.00 0.00 C ATOM 879 CD1 ILE A 81 -18.047 -21.622 -34.753 1.00 0.00 C ATOM 0 H ILE A 81 -14.904 -23.404 -31.215 1.00 0.00 H new ATOM 0 HA ILE A 81 -14.974 -20.721 -31.899 1.00 0.00 H new ATOM 0 HB ILE A 81 -15.664 -22.480 -33.442 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -18.027 -20.638 -32.857 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -16.651 -20.263 -33.876 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -17.768 -23.779 -33.192 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -16.613 -24.101 -31.876 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -18.016 -23.045 -31.590 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -18.615 -20.820 -35.225 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -17.332 -22.029 -35.468 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -18.729 -22.410 -34.433 1.00 0.00 H new ATOM 891 N HIS A 82 -17.127 -21.362 -29.539 1.00 0.00 N ATOM 892 CA HIS A 82 -18.101 -20.824 -28.563 1.00 0.00 C ATOM 893 C HIS A 82 -17.421 -19.832 -27.591 1.00 0.00 C ATOM 894 O HIS A 82 -17.917 -18.724 -27.374 1.00 0.00 O ATOM 895 CB HIS A 82 -18.753 -22.000 -27.791 1.00 0.00 C ATOM 896 CG HIS A 82 -19.305 -23.057 -28.704 1.00 0.00 C ATOM 897 ND1 HIS A 82 -20.583 -23.026 -29.207 1.00 0.00 N ATOM 898 CD2 HIS A 82 -18.723 -24.154 -29.237 1.00 0.00 C ATOM 899 CE1 HIS A 82 -20.759 -24.049 -30.012 1.00 0.00 C ATOM 900 NE2 HIS A 82 -19.647 -24.748 -30.047 1.00 0.00 N ATOM 0 H HIS A 82 -16.822 -22.310 -29.319 1.00 0.00 H new ATOM 0 HA HIS A 82 -18.876 -20.274 -29.097 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -18.013 -22.449 -27.128 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -19.555 -21.615 -27.161 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -17.715 -24.497 -29.056 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -21.665 -24.277 -30.554 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -19.498 -25.597 -30.592 1.00 0.00 H new ATOM 909 N CYS A 83 -16.253 -20.233 -27.035 1.00 0.00 N ATOM 910 CA CYS A 83 -15.465 -19.381 -26.115 1.00 0.00 C ATOM 911 C CYS A 83 -14.684 -18.307 -26.900 1.00 0.00 C ATOM 912 O CYS A 83 -14.229 -17.332 -26.319 1.00 0.00 O ATOM 913 CB CYS A 83 -14.459 -20.219 -25.290 1.00 0.00 C ATOM 914 SG CYS A 83 -15.173 -21.556 -24.292 1.00 0.00 S ATOM 0 H CYS A 83 -15.835 -21.147 -27.210 1.00 0.00 H new ATOM 0 HA CYS A 83 -16.173 -18.904 -25.438 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -13.729 -20.652 -25.974 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -13.914 -19.547 -24.626 1.00 0.00 H new ATOM 919 N GLN A 84 -14.503 -18.513 -28.223 1.00 0.00 N ATOM 920 CA GLN A 84 -13.711 -17.603 -29.068 1.00 0.00 C ATOM 921 C GLN A 84 -14.568 -16.393 -29.452 1.00 0.00 C ATOM 922 O GLN A 84 -14.140 -15.265 -29.258 1.00 0.00 O ATOM 923 CB GLN A 84 -13.169 -18.339 -30.348 1.00 0.00 C ATOM 924 CG GLN A 84 -11.826 -17.808 -30.935 1.00 0.00 C ATOM 925 CD GLN A 84 -11.777 -16.290 -31.147 1.00 0.00 C ATOM 926 OE1 GLN A 84 -12.191 -15.783 -32.187 1.00 0.00 O ATOM 927 NE2 GLN A 84 -11.254 -15.563 -30.161 1.00 0.00 N ATOM 0 H GLN A 84 -14.898 -19.307 -28.727 1.00 0.00 H new ATOM 0 HA GLN A 84 -12.844 -17.262 -28.502 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -13.043 -19.395 -30.108 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -13.930 -18.277 -31.126 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -11.014 -18.095 -30.266 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -11.642 -18.301 -31.890 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -10.921 -16.020 -29.312 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -11.187 -14.550 -30.255 1.00 0.00 H new ATOM 936 N GLN A 85 -15.786 -16.656 -29.968 1.00 0.00 N ATOM 937 CA GLN A 85 -16.678 -15.613 -30.521 1.00 0.00 C ATOM 938 C GLN A 85 -17.043 -14.528 -29.479 1.00 0.00 C ATOM 939 O GLN A 85 -17.229 -13.361 -29.844 1.00 0.00 O ATOM 940 CB GLN A 85 -17.959 -16.245 -31.124 1.00 0.00 C ATOM 941 CG GLN A 85 -18.814 -17.056 -30.134 1.00 0.00 C ATOM 942 CD GLN A 85 -20.025 -17.700 -30.800 1.00 0.00 C ATOM 943 OE1 GLN A 85 -21.107 -17.127 -30.840 1.00 0.00 O ATOM 944 NE2 GLN A 85 -19.839 -18.886 -31.364 1.00 0.00 N ATOM 0 H GLN A 85 -16.180 -17.596 -30.014 1.00 0.00 H new ATOM 0 HA GLN A 85 -16.123 -15.115 -31.316 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -18.574 -15.450 -31.545 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -17.671 -16.896 -31.949 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -18.199 -17.832 -29.678 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -19.151 -16.402 -29.329 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -18.926 -19.337 -31.313 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -20.609 -19.347 -31.849 1.00 0.00 H new ATOM 953 N GLU A 86 -17.126 -14.923 -28.186 1.00 0.00 N ATOM 954 CA GLU A 86 -17.394 -13.978 -27.076 1.00 0.00 C ATOM 955 C GLU A 86 -16.154 -13.089 -26.810 1.00 0.00 C ATOM 956 O GLU A 86 -16.287 -11.893 -26.535 1.00 0.00 O ATOM 957 CB GLU A 86 -17.820 -14.726 -25.779 1.00 0.00 C ATOM 958 CG GLU A 86 -16.752 -15.667 -25.194 1.00 0.00 C ATOM 959 CD GLU A 86 -17.124 -16.218 -23.815 1.00 0.00 C ATOM 960 OE1 GLU A 86 -17.019 -15.466 -22.817 1.00 0.00 O ATOM 961 OE2 GLU A 86 -17.534 -17.389 -23.711 1.00 0.00 O ATOM 0 H GLU A 86 -17.011 -15.891 -27.886 1.00 0.00 H new ATOM 0 HA GLU A 86 -18.225 -13.339 -27.377 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -18.087 -13.988 -25.022 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -18.718 -15.306 -25.990 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -16.595 -16.499 -25.880 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -15.806 -15.131 -25.121 1.00 0.00 H new ATOM 968 N LYS A 87 -14.950 -13.686 -26.911 1.00 0.00 N ATOM 969 CA LYS A 87 -13.666 -12.971 -26.724 1.00 0.00 C ATOM 970 C LYS A 87 -13.317 -12.135 -27.974 1.00 0.00 C ATOM 971 O LYS A 87 -12.553 -11.165 -27.899 1.00 0.00 O ATOM 972 CB LYS A 87 -12.541 -13.970 -26.359 1.00 0.00 C ATOM 973 CG LYS A 87 -12.828 -14.789 -25.075 1.00 0.00 C ATOM 974 CD LYS A 87 -13.058 -13.904 -23.827 1.00 0.00 C ATOM 975 CE LYS A 87 -13.435 -14.716 -22.574 1.00 0.00 C ATOM 976 NZ LYS A 87 -12.390 -15.705 -22.199 1.00 0.00 N ATOM 0 H LYS A 87 -14.837 -14.677 -27.124 1.00 0.00 H new ATOM 0 HA LYS A 87 -13.768 -12.274 -25.892 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -12.393 -14.657 -27.192 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -11.608 -13.421 -26.229 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -13.708 -15.412 -25.238 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -11.991 -15.462 -24.886 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -12.153 -13.331 -23.623 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -13.850 -13.185 -24.039 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -13.601 -14.034 -21.740 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -14.376 -15.237 -22.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -12.758 -16.668 -22.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -11.551 -15.567 -22.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -12.129 -15.573 -21.201 1.00 0.00 H new ATOM 990 N ASP A 88 -13.902 -12.534 -29.114 1.00 0.00 N ATOM 991 CA ASP A 88 -13.768 -11.852 -30.408 1.00 0.00 C ATOM 992 C ASP A 88 -14.575 -10.529 -30.405 1.00 0.00 C ATOM 993 O ASP A 88 -14.341 -9.645 -31.230 1.00 0.00 O ATOM 994 CB ASP A 88 -14.235 -12.810 -31.539 1.00 0.00 C ATOM 995 CG ASP A 88 -13.991 -12.272 -32.962 1.00 0.00 C ATOM 996 OD1 ASP A 88 -12.832 -12.299 -33.429 1.00 0.00 O ATOM 997 OD2 ASP A 88 -14.954 -11.825 -33.622 1.00 0.00 O ATOM 0 H ASP A 88 -14.496 -13.362 -29.161 1.00 0.00 H new ATOM 0 HA ASP A 88 -12.724 -11.592 -30.585 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -13.718 -13.763 -31.429 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -15.300 -13.009 -31.415 1.00 0.00 H new ATOM 1002 N LEU A 89 -15.529 -10.411 -29.453 1.00 0.00 N ATOM 1003 CA LEU A 89 -16.218 -9.135 -29.158 1.00 0.00 C ATOM 1004 C LEU A 89 -15.263 -8.199 -28.384 1.00 0.00 C ATOM 1005 O LEU A 89 -15.224 -6.993 -28.623 1.00 0.00 O ATOM 1006 CB LEU A 89 -17.497 -9.359 -28.288 1.00 0.00 C ATOM 1007 CG LEU A 89 -18.443 -10.522 -28.694 1.00 0.00 C ATOM 1008 CD1 LEU A 89 -19.637 -10.652 -27.715 1.00 0.00 C ATOM 1009 CD2 LEU A 89 -18.920 -10.387 -30.158 1.00 0.00 C ATOM 0 H LEU A 89 -15.840 -11.190 -28.873 1.00 0.00 H new ATOM 0 HA LEU A 89 -16.512 -8.692 -30.109 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -17.179 -9.527 -27.259 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -18.076 -8.435 -28.296 1.00 0.00 H new ATOM 0 HG LEU A 89 -17.866 -11.445 -28.628 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -20.278 -11.476 -28.030 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -19.264 -10.847 -26.710 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -20.211 -9.725 -27.716 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -19.580 -11.219 -30.404 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -19.460 -9.448 -30.280 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -18.057 -10.399 -30.824 1.00 0.00 H new ATOM 1021 N GLN A 90 -14.482 -8.810 -27.466 1.00 0.00 N ATOM 1022 CA GLN A 90 -13.681 -8.098 -26.447 1.00 0.00 C ATOM 1023 C GLN A 90 -12.428 -7.453 -27.058 1.00 0.00 C ATOM 1024 O GLN A 90 -11.934 -6.444 -26.536 1.00 0.00 O ATOM 1025 CB GLN A 90 -13.265 -9.079 -25.301 1.00 0.00 C ATOM 1026 CG GLN A 90 -14.415 -9.929 -24.712 1.00 0.00 C ATOM 1027 CD GLN A 90 -15.562 -9.113 -24.112 1.00 0.00 C ATOM 1028 OE1 GLN A 90 -16.545 -8.795 -24.932 1.00 0.00 O flip ATOM 1029 NE2 GLN A 90 -15.560 -8.779 -22.929 1.00 0.00 N flip ATOM 0 H GLN A 90 -14.389 -9.824 -27.412 1.00 0.00 H new ATOM 0 HA GLN A 90 -14.304 -7.303 -26.038 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -12.496 -9.751 -25.681 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -12.813 -8.500 -24.495 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -14.814 -10.571 -25.497 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -14.009 -10.583 -23.941 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -14.781 -9.044 -22.326 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -16.337 -8.237 -22.551 1.00 0.00 H new ATOM 1038 N LYS A 91 -11.907 -8.059 -28.148 1.00 0.00 N ATOM 1039 CA LYS A 91 -10.706 -7.566 -28.834 1.00 0.00 C ATOM 1040 C LYS A 91 -11.002 -6.192 -29.499 1.00 0.00 C ATOM 1041 O LYS A 91 -11.981 -6.079 -30.254 1.00 0.00 O ATOM 1042 CB LYS A 91 -10.184 -8.603 -29.881 1.00 0.00 C ATOM 1043 CG LYS A 91 -11.162 -8.927 -31.039 1.00 0.00 C ATOM 1044 CD LYS A 91 -10.574 -9.872 -32.118 1.00 0.00 C ATOM 1045 CE LYS A 91 -10.186 -11.262 -31.570 1.00 0.00 C ATOM 1046 NZ LYS A 91 -9.945 -12.232 -32.664 1.00 0.00 N ATOM 0 H LYS A 91 -12.308 -8.897 -28.569 1.00 0.00 H new ATOM 0 HA LYS A 91 -9.916 -7.431 -28.096 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -9.254 -8.227 -30.308 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -9.944 -9.530 -29.361 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -12.061 -9.382 -30.624 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -11.467 -7.995 -31.515 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -11.303 -9.996 -32.918 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -9.693 -9.405 -32.559 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -9.289 -11.174 -30.957 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -10.980 -11.633 -30.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -9.541 -13.106 -32.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -10.844 -12.450 -33.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -9.280 -11.822 -33.351 1.00 0.00 H new ATOM 1060 N PRO A 92 -10.228 -5.108 -29.154 1.00 0.00 N ATOM 1061 CA PRO A 92 -10.356 -3.774 -29.800 1.00 0.00 C ATOM 1062 C PRO A 92 -10.266 -3.831 -31.341 1.00 0.00 C ATOM 1063 O PRO A 92 -10.958 -3.079 -32.039 1.00 0.00 O ATOM 1064 CB PRO A 92 -9.165 -2.974 -29.208 1.00 0.00 C ATOM 1065 CG PRO A 92 -8.914 -3.608 -27.877 1.00 0.00 C ATOM 1066 CD PRO A 92 -9.215 -5.084 -28.063 1.00 0.00 C ATOM 0 HA PRO A 92 -11.331 -3.327 -29.605 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -8.286 -3.037 -29.850 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -9.409 -1.917 -29.105 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -7.883 -3.456 -27.559 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -9.552 -3.172 -27.109 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -8.320 -5.643 -28.336 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -9.603 -5.531 -27.148 1.00 0.00 H new ATOM 1074 N ALA A 93 -9.382 -4.731 -31.831 1.00 0.00 N ATOM 1075 CA ALA A 93 -9.063 -4.914 -33.271 1.00 0.00 C ATOM 1076 C ALA A 93 -8.321 -3.687 -33.855 1.00 0.00 C ATOM 1077 O ALA A 93 -8.189 -3.551 -35.075 1.00 0.00 O ATOM 1078 CB ALA A 93 -10.326 -5.276 -34.090 1.00 0.00 C ATOM 0 H ALA A 93 -8.859 -5.364 -31.226 1.00 0.00 H new ATOM 0 HA ALA A 93 -8.379 -5.760 -33.349 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -10.056 -5.402 -35.138 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -10.752 -6.205 -33.710 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -11.061 -4.476 -33.999 1.00 0.00 H new ATOM 1084 N TYR A 94 -7.816 -2.817 -32.960 1.00 0.00 N ATOM 1085 CA TYR A 94 -7.022 -1.628 -33.315 1.00 0.00 C ATOM 1086 C TYR A 94 -5.981 -1.378 -32.208 1.00 0.00 C ATOM 1087 O TYR A 94 -6.077 -1.965 -31.123 1.00 0.00 O ATOM 1088 CB TYR A 94 -7.947 -0.376 -33.520 1.00 0.00 C ATOM 1089 CG TYR A 94 -8.559 0.216 -32.210 1.00 0.00 C ATOM 1090 CD1 TYR A 94 -7.875 1.197 -31.486 1.00 0.00 C ATOM 1091 CD2 TYR A 94 -9.793 -0.204 -31.711 1.00 0.00 C ATOM 1092 CE1 TYR A 94 -8.379 1.714 -30.320 1.00 0.00 C ATOM 1093 CE2 TYR A 94 -10.308 0.324 -30.535 1.00 0.00 C ATOM 1094 CZ TYR A 94 -9.594 1.282 -29.849 1.00 0.00 C ATOM 1095 OH TYR A 94 -10.100 1.822 -28.685 1.00 0.00 O ATOM 0 H TYR A 94 -7.951 -2.923 -31.955 1.00 0.00 H new ATOM 0 HA TYR A 94 -6.507 -1.802 -34.260 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -7.372 0.404 -34.019 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -8.761 -0.651 -34.191 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -6.926 1.557 -31.854 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -10.356 -0.952 -32.249 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -7.821 2.460 -29.773 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -11.263 -0.014 -30.160 1.00 0.00 H new ATOM 0 HH TYR A 94 -10.968 1.413 -28.485 1.00 0.00 H new ATOM 1105 N THR A 95 -5.010 -0.485 -32.467 1.00 0.00 N ATOM 1106 CA THR A 95 -4.017 -0.073 -31.458 1.00 0.00 C ATOM 1107 C THR A 95 -4.494 1.191 -30.715 1.00 0.00 C ATOM 1108 O THR A 95 -4.712 1.158 -29.491 1.00 0.00 O ATOM 1109 CB THR A 95 -2.615 0.170 -32.120 1.00 0.00 C ATOM 1110 OG1 THR A 95 -2.742 1.136 -33.183 1.00 0.00 O ATOM 1111 CG2 THR A 95 -2.017 -1.137 -32.681 1.00 0.00 C ATOM 0 H THR A 95 -4.891 -0.032 -33.373 1.00 0.00 H new ATOM 0 HA THR A 95 -3.913 -0.880 -30.733 1.00 0.00 H new ATOM 0 HB THR A 95 -1.942 0.547 -31.350 1.00 0.00 H new ATOM 0 HG1 THR A 95 -1.865 1.288 -33.594 1.00 0.00 H new ATOM 0 HG21 THR A 95 -1.046 -0.929 -33.131 1.00 0.00 H new ATOM 0 HG22 THR A 95 -1.895 -1.858 -31.872 1.00 0.00 H new ATOM 0 HG23 THR A 95 -2.687 -1.549 -33.436 1.00 0.00 H new ATOM 1119 N GLY A 96 -4.682 2.293 -31.476 1.00 0.00 N ATOM 1120 CA GLY A 96 -5.045 3.592 -30.902 1.00 0.00 C ATOM 1121 C GLY A 96 -3.976 4.089 -29.937 1.00 0.00 C ATOM 1122 O GLY A 96 -4.281 4.554 -28.828 1.00 0.00 O ATOM 0 H GLY A 96 -4.586 2.300 -32.491 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -5.183 4.320 -31.702 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -5.998 3.508 -30.380 1.00 0.00 H new ATOM 1126 N TYR A 97 -2.715 3.960 -30.373 1.00 0.00 N ATOM 1127 CA TYR A 97 -1.537 4.191 -29.533 1.00 0.00 C ATOM 1128 C TYR A 97 -1.294 5.705 -29.385 1.00 0.00 C ATOM 1129 O TYR A 97 -0.646 6.326 -30.232 1.00 0.00 O ATOM 1130 CB TYR A 97 -0.302 3.455 -30.142 1.00 0.00 C ATOM 1131 CG TYR A 97 0.602 2.774 -29.095 1.00 0.00 C ATOM 1132 CD1 TYR A 97 1.547 3.498 -28.357 1.00 0.00 C ATOM 1133 CD2 TYR A 97 0.495 1.396 -28.845 1.00 0.00 C ATOM 1134 CE1 TYR A 97 2.347 2.868 -27.429 1.00 0.00 C ATOM 1135 CE2 TYR A 97 1.298 0.775 -27.911 1.00 0.00 C ATOM 1136 CZ TYR A 97 2.219 1.518 -27.208 1.00 0.00 C ATOM 1137 OH TYR A 97 3.032 0.907 -26.285 1.00 0.00 O ATOM 0 H TYR A 97 -2.485 3.689 -31.329 1.00 0.00 H new ATOM 0 HA TYR A 97 -1.703 3.784 -28.536 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -0.653 2.703 -30.849 1.00 0.00 H new ATOM 0 HB3 TYR A 97 0.292 4.172 -30.709 1.00 0.00 H new ATOM 0 HD1 TYR A 97 1.650 4.561 -28.517 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -0.229 0.812 -29.394 1.00 0.00 H new ATOM 0 HE1 TYR A 97 3.077 3.437 -26.873 1.00 0.00 H new ATOM 0 HE2 TYR A 97 1.205 -0.286 -27.733 1.00 0.00 H new ATOM 0 HH TYR A 97 2.819 -0.049 -26.243 1.00 0.00 H new ATOM 1147 N ASN A 98 -1.876 6.280 -28.327 1.00 0.00 N ATOM 1148 CA ASN A 98 -1.812 7.720 -28.038 1.00 0.00 C ATOM 1149 C ASN A 98 -0.542 8.032 -27.220 1.00 0.00 C ATOM 1150 O ASN A 98 -0.506 7.808 -26.007 1.00 0.00 O ATOM 1151 CB ASN A 98 -3.099 8.151 -27.271 1.00 0.00 C ATOM 1152 CG ASN A 98 -3.128 9.644 -26.907 1.00 0.00 C ATOM 1153 OD1 ASN A 98 -3.598 10.472 -27.679 1.00 0.00 O ATOM 1154 ND2 ASN A 98 -2.627 9.995 -25.729 1.00 0.00 N ATOM 0 H ASN A 98 -2.412 5.753 -27.637 1.00 0.00 H new ATOM 0 HA ASN A 98 -1.760 8.285 -28.969 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -3.971 7.918 -27.882 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -3.182 7.561 -26.358 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -2.627 10.975 -25.446 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -2.242 9.285 -25.106 1.00 0.00 H new ATOM 1161 N ARG A 99 0.523 8.478 -27.910 1.00 0.00 N ATOM 1162 CA ARG A 99 1.762 8.986 -27.283 1.00 0.00 C ATOM 1163 C ARG A 99 2.157 10.311 -27.954 1.00 0.00 C ATOM 1164 O ARG A 99 2.878 10.330 -28.961 1.00 0.00 O ATOM 1165 CB ARG A 99 2.920 7.943 -27.343 1.00 0.00 C ATOM 1166 CG ARG A 99 2.767 6.780 -26.339 1.00 0.00 C ATOM 1167 CD ARG A 99 3.992 5.865 -26.293 1.00 0.00 C ATOM 1168 NE ARG A 99 3.889 4.866 -25.211 1.00 0.00 N ATOM 1169 CZ ARG A 99 4.759 3.876 -24.987 1.00 0.00 C ATOM 1170 NH1 ARG A 99 5.777 3.661 -25.800 1.00 0.00 N ATOM 1171 NH2 ARG A 99 4.579 3.076 -23.957 1.00 0.00 N ATOM 0 H ARG A 99 0.550 8.497 -28.929 1.00 0.00 H new ATOM 0 HA ARG A 99 1.572 9.163 -26.224 1.00 0.00 H new ATOM 0 HB2 ARG A 99 2.976 7.534 -28.352 1.00 0.00 H new ATOM 0 HB3 ARG A 99 3.865 8.452 -27.153 1.00 0.00 H new ATOM 0 HG2 ARG A 99 2.587 7.187 -25.344 1.00 0.00 H new ATOM 0 HG3 ARG A 99 1.890 6.190 -26.605 1.00 0.00 H new ATOM 0 HD2 ARG A 99 4.101 5.355 -27.250 1.00 0.00 H new ATOM 0 HD3 ARG A 99 4.890 6.466 -26.149 1.00 0.00 H new ATOM 0 HE ARG A 99 3.088 4.937 -24.583 1.00 0.00 H new ATOM 0 HH11 ARG A 99 5.911 4.256 -26.618 1.00 0.00 H new ATOM 0 HH12 ARG A 99 6.429 2.900 -25.610 1.00 0.00 H new ATOM 0 HH21 ARG A 99 3.781 3.214 -23.337 1.00 0.00 H new ATOM 0 HH22 ARG A 99 5.238 2.318 -23.779 1.00 0.00 H new ATOM 1185 N ARG A 100 1.626 11.408 -27.401 1.00 0.00 N ATOM 1186 CA ARG A 100 1.854 12.773 -27.893 1.00 0.00 C ATOM 1187 C ARG A 100 1.695 13.743 -26.714 1.00 0.00 C ATOM 1188 O ARG A 100 0.612 13.815 -26.116 1.00 0.00 O ATOM 1189 CB ARG A 100 0.842 13.113 -29.019 1.00 0.00 C ATOM 1190 CG ARG A 100 0.966 14.540 -29.596 1.00 0.00 C ATOM 1191 CD ARG A 100 -0.192 14.900 -30.548 1.00 0.00 C ATOM 1192 NE ARG A 100 -1.511 14.756 -29.890 1.00 0.00 N ATOM 1193 CZ ARG A 100 -2.665 15.258 -30.344 1.00 0.00 C ATOM 1194 NH1 ARG A 100 -2.701 16.025 -31.422 1.00 0.00 N ATOM 1195 NH2 ARG A 100 -3.786 14.992 -29.699 1.00 0.00 N ATOM 0 H ARG A 100 1.015 11.372 -26.585 1.00 0.00 H new ATOM 0 HA ARG A 100 2.858 12.859 -28.309 1.00 0.00 H new ATOM 0 HB2 ARG A 100 0.969 12.396 -29.830 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -0.168 12.980 -28.632 1.00 0.00 H new ATOM 0 HG2 ARG A 100 0.993 15.258 -28.776 1.00 0.00 H new ATOM 0 HG3 ARG A 100 1.912 14.630 -30.130 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -0.070 15.925 -30.897 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -0.153 14.257 -31.427 1.00 0.00 H new ATOM 0 HE ARG A 100 -1.542 14.230 -29.017 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -1.839 16.243 -31.922 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -3.591 16.398 -31.753 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -3.767 14.409 -28.863 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -4.671 15.370 -30.037 1.00 0.00 H new ATOM 1209 N GLY A 101 2.783 14.456 -26.370 1.00 0.00 N ATOM 1210 CA GLY A 101 2.800 15.385 -25.237 1.00 0.00 C ATOM 1211 C GLY A 101 2.046 16.684 -25.513 1.00 0.00 C ATOM 1212 O GLY A 101 2.657 17.727 -25.762 1.00 0.00 O ATOM 0 H GLY A 101 3.670 14.401 -26.871 1.00 0.00 H new ATOM 0 HA2 GLY A 101 2.361 14.896 -24.367 1.00 0.00 H new ATOM 0 HA3 GLY A 101 3.834 15.619 -24.983 1.00 0.00 H new ATOM 1216 N SER A 102 0.705 16.601 -25.480 1.00 0.00 N ATOM 1217 CA SER A 102 -0.209 17.736 -25.748 1.00 0.00 C ATOM 1218 C SER A 102 -1.156 17.980 -24.557 1.00 0.00 C ATOM 1219 O SER A 102 -1.836 19.012 -24.501 1.00 0.00 O ATOM 1220 CB SER A 102 -1.023 17.450 -27.035 1.00 0.00 C ATOM 1221 OG SER A 102 -0.156 17.242 -28.140 1.00 0.00 O ATOM 0 H SER A 102 0.214 15.734 -25.264 1.00 0.00 H new ATOM 0 HA SER A 102 0.387 18.638 -25.888 1.00 0.00 H new ATOM 0 HB2 SER A 102 -1.650 16.570 -26.887 1.00 0.00 H new ATOM 0 HB3 SER A 102 -1.691 18.286 -27.242 1.00 0.00 H new ATOM 0 HG SER A 102 -0.687 17.061 -28.943 1.00 0.00 H new ATOM 1227 N LYS A 103 -1.212 17.013 -23.615 1.00 0.00 N ATOM 1228 CA LYS A 103 -2.081 17.083 -22.431 1.00 0.00 C ATOM 1229 C LYS A 103 -1.267 17.600 -21.227 1.00 0.00 C ATOM 1230 O LYS A 103 -0.639 16.826 -20.495 1.00 0.00 O ATOM 1231 CB LYS A 103 -2.711 15.685 -22.148 1.00 0.00 C ATOM 1232 CG LYS A 103 -3.756 15.663 -21.012 1.00 0.00 C ATOM 1233 CD LYS A 103 -4.980 16.568 -21.305 1.00 0.00 C ATOM 1234 CE LYS A 103 -6.053 16.503 -20.206 1.00 0.00 C ATOM 1235 NZ LYS A 103 -6.576 15.124 -20.033 1.00 0.00 N ATOM 0 H LYS A 103 -0.652 16.162 -23.659 1.00 0.00 H new ATOM 0 HA LYS A 103 -2.899 17.780 -22.610 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -3.181 15.322 -23.062 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -1.912 14.986 -21.901 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -4.096 14.639 -20.857 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -3.284 15.987 -20.084 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -4.644 17.599 -21.416 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -5.424 16.273 -22.256 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -5.631 16.854 -19.264 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -6.874 17.175 -20.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -7.419 15.146 -19.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -6.829 14.730 -20.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -5.846 14.529 -19.592 1.00 0.00 H new ATOM 1249 N ASP A 104 -1.229 18.930 -21.078 1.00 0.00 N ATOM 1250 CA ASP A 104 -0.503 19.607 -19.992 1.00 0.00 C ATOM 1251 C ASP A 104 -1.418 19.790 -18.777 1.00 0.00 C ATOM 1252 O ASP A 104 -2.452 20.451 -18.859 1.00 0.00 O ATOM 1253 CB ASP A 104 0.060 20.967 -20.483 1.00 0.00 C ATOM 1254 CG ASP A 104 1.091 20.770 -21.604 1.00 0.00 C ATOM 1255 OD1 ASP A 104 2.291 20.586 -21.299 1.00 0.00 O ATOM 1256 OD2 ASP A 104 0.705 20.762 -22.796 1.00 0.00 O ATOM 0 H ASP A 104 -1.704 19.573 -21.712 1.00 0.00 H new ATOM 0 HA ASP A 104 0.340 18.986 -19.689 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -0.757 21.593 -20.843 1.00 0.00 H new ATOM 0 HB3 ASP A 104 0.522 21.494 -19.649 1.00 0.00 H new ATOM 1261 N SER A 105 -0.998 19.227 -17.640 1.00 0.00 N ATOM 1262 CA SER A 105 -1.772 19.207 -16.395 1.00 0.00 C ATOM 1263 C SER A 105 -1.305 20.358 -15.475 1.00 0.00 C ATOM 1264 O SER A 105 -1.139 20.175 -14.266 1.00 0.00 O ATOM 1265 CB SER A 105 -1.598 17.805 -15.730 1.00 0.00 C ATOM 1266 OG SER A 105 -2.382 17.676 -14.556 1.00 0.00 O ATOM 0 H SER A 105 -0.093 18.763 -17.558 1.00 0.00 H new ATOM 0 HA SER A 105 -2.833 19.364 -16.589 1.00 0.00 H new ATOM 0 HB2 SER A 105 -1.879 17.028 -16.441 1.00 0.00 H new ATOM 0 HB3 SER A 105 -0.548 17.647 -15.484 1.00 0.00 H new ATOM 0 HG SER A 105 -2.330 18.504 -14.035 1.00 0.00 H new ATOM 1272 N GLN A 106 -1.094 21.553 -16.072 1.00 0.00 N ATOM 1273 CA GLN A 106 -0.694 22.765 -15.339 1.00 0.00 C ATOM 1274 C GLN A 106 -1.887 23.300 -14.528 1.00 0.00 C ATOM 1275 O GLN A 106 -2.694 24.098 -15.019 1.00 0.00 O ATOM 1276 CB GLN A 106 -0.148 23.831 -16.319 1.00 0.00 C ATOM 1277 CG GLN A 106 1.124 23.390 -17.078 1.00 0.00 C ATOM 1278 CD GLN A 106 1.608 24.387 -18.138 1.00 0.00 C ATOM 1279 OE1 GLN A 106 1.408 25.595 -18.016 1.00 0.00 O ATOM 1280 NE2 GLN A 106 2.259 23.884 -19.180 1.00 0.00 N ATOM 0 H GLN A 106 -1.198 21.699 -17.076 1.00 0.00 H new ATOM 0 HA GLN A 106 0.107 22.519 -14.642 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -0.925 24.076 -17.043 1.00 0.00 H new ATOM 0 HB3 GLN A 106 0.070 24.743 -15.764 1.00 0.00 H new ATOM 0 HG2 GLN A 106 1.925 23.228 -16.357 1.00 0.00 H new ATOM 0 HG3 GLN A 106 0.931 22.432 -17.560 1.00 0.00 H new ATOM 0 HE21 GLN A 106 2.408 22.877 -19.251 1.00 0.00 H new ATOM 0 HE22 GLN A 106 2.610 24.504 -19.910 1.00 0.00 H new ATOM 1289 N LEU A 107 -1.989 22.820 -13.287 1.00 0.00 N ATOM 1290 CA LEU A 107 -3.136 23.080 -12.407 1.00 0.00 C ATOM 1291 C LEU A 107 -3.020 24.487 -11.786 1.00 0.00 C ATOM 1292 O LEU A 107 -2.368 24.681 -10.755 1.00 0.00 O ATOM 1293 CB LEU A 107 -3.306 21.967 -11.310 1.00 0.00 C ATOM 1294 CG LEU A 107 -2.061 21.622 -10.390 1.00 0.00 C ATOM 1295 CD1 LEU A 107 -2.511 21.135 -8.992 1.00 0.00 C ATOM 1296 CD2 LEU A 107 -1.116 20.575 -11.044 1.00 0.00 C ATOM 0 H LEU A 107 -1.272 22.234 -12.858 1.00 0.00 H new ATOM 0 HA LEU A 107 -4.041 23.047 -13.014 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -4.128 22.265 -10.659 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -3.613 21.049 -11.812 1.00 0.00 H new ATOM 0 HG LEU A 107 -1.499 22.548 -10.273 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -1.634 20.907 -8.386 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -3.095 21.916 -8.505 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -3.122 20.238 -9.098 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -0.279 20.372 -10.375 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -1.666 19.652 -11.227 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -0.739 20.966 -11.989 1.00 0.00 H new ATOM 1308 N ARG A 108 -3.613 25.478 -12.471 1.00 0.00 N ATOM 1309 CA ARG A 108 -3.608 26.883 -12.030 1.00 0.00 C ATOM 1310 C ARG A 108 -4.778 27.113 -11.028 1.00 0.00 C ATOM 1311 O ARG A 108 -4.586 26.890 -9.810 1.00 0.00 O ATOM 1312 CB ARG A 108 -3.687 27.833 -13.272 1.00 0.00 C ATOM 1313 CG ARG A 108 -2.604 27.586 -14.357 1.00 0.00 C ATOM 1314 CD ARG A 108 -1.167 27.685 -13.807 1.00 0.00 C ATOM 1315 NE ARG A 108 -0.145 27.534 -14.866 1.00 0.00 N ATOM 1316 CZ ARG A 108 1.157 27.303 -14.658 1.00 0.00 C ATOM 1317 NH1 ARG A 108 1.646 27.172 -13.436 1.00 0.00 N ATOM 1318 NH2 ARG A 108 1.966 27.197 -15.691 1.00 0.00 N ATOM 1319 OXT ARG A 108 -5.893 27.479 -11.460 1.00 0.00 O ATOM 0 H ARG A 108 -4.111 25.327 -13.348 1.00 0.00 H new ATOM 0 HA ARG A 108 -2.678 27.114 -11.511 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -4.670 27.726 -13.730 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -3.606 28.864 -12.928 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -2.753 26.598 -14.793 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -2.730 28.312 -15.161 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -1.035 28.648 -13.314 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -1.017 26.916 -13.049 1.00 0.00 H new ATOM 0 HE ARG A 108 -0.458 27.612 -15.834 1.00 0.00 H new ATOM 0 HH11 ARG A 108 1.027 27.247 -12.628 1.00 0.00 H new ATOM 0 HH12 ARG A 108 2.642 26.996 -13.301 1.00 0.00 H new ATOM 0 HH21 ARG A 108 1.599 27.291 -16.638 1.00 0.00 H new ATOM 0 HH22 ARG A 108 2.960 27.021 -15.544 1.00 0.00 H new TER 1333 ARG A 108 HETATM 1334 ZN ZN A 109 -14.476 -23.668 -24.978 1.00 0.00 ZN