USER MOD reduce.3.24.130724 H: found=0, std=0, add=851, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 849 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 84 MET CE :methyl -113:sc= -1.05 (180deg=-5.1!) USER MOD Set 1.2: A 86 CYS SG : rot 86:sc= -1.19 USER MOD Set 2.1: A 50 ASN : amide:sc= -0.982 K(o=-1,f=0) USER MOD Set 2.2: A 69 MET CE :methyl -145:sc= -0.0132 (180deg=0) USER MOD Set 3.1: A 68 TYR OH : rot -15:sc= -1.03 USER MOD Set 3.2: A 72 GLN : amide:sc= -0.173 X(o=-1.2,f=-1.2) USER MOD Set 4.1: A 37 GLN : amide:sc= -0.423 X(o=-6,f=-6.1) USER MOD Set 4.2: A 74 GLN : amide:sc= -5.62! C(o=-6!,f=-8.5!) USER MOD Set 5.1: A 35 THR OG1 : rot 82:sc= 0.203 USER MOD Set 5.2: A 76 LYS NZ :NH3+ 168:sc= 0.383 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 62:sc= 0.067 USER MOD Single : A 16 CYS SG : rot -89:sc= 0.193 USER MOD Single : A 22 ASN : amide:sc= 0.334 K(o=0.33,f=-1.7!) USER MOD Single : A 28 ASN : amide:sc= -0.0537 K(o=-0.054,f=-0.95) USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.444 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= -2.26 K(o=-2.3,f=-3!) USER MOD Single : A 33 SER OG : rot -16:sc= 0.254 USER MOD Single : A 39 LYS NZ :NH3+ 179:sc= -0.0384 (180deg=-0.0401) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -1.65 K(o=-1.7,f=-2.7!) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= -3.12 K(o=-3.1,f=-13!) USER MOD Single : A 65 CYS SG : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= -0.0751 X(o=-0.075,f=-0.0055) USER MOD Single : A 67 CYS SG : rot 104:sc= 0.0818! USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 156:sc= -0.0078 (180deg=-0.424) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot -169:sc= 0.808 USER MOD Single : A 94 ASN : amide:sc= -3.06! C(o=-3.1!,f=-13!) USER MOD Single : A 96 TYR OH : rot 176:sc= 0.00602 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot -65:sc= 0.438 USER MOD Single : A 102 SER OG : rot 120:sc= 0.303 USER MOD Single : A 107 TYR OH : rot 159:sc= -0.72 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 THR OG1 : rot -156:sc= -0.673 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 112 CYS SG : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 24:sc= 0.129! USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -24.580 19.243 16.714 1.00 0.00 N ATOM 2 CA GLY A 1 -24.107 19.383 15.349 1.00 0.00 C ATOM 3 C GLY A 1 -23.034 20.445 15.213 1.00 0.00 C ATOM 4 O GLY A 1 -23.209 21.576 15.666 1.00 0.00 O ATOM 0 H1 GLY A 1 -25.312 18.505 16.754 1.00 0.00 H new ATOM 0 H2 GLY A 1 -23.786 18.977 17.331 1.00 0.00 H new ATOM 0 H3 GLY A 1 -24.981 20.147 17.037 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -23.713 18.427 15.004 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -24.947 19.634 14.701 1.00 0.00 H new ATOM 8 N SER A 2 -21.918 20.080 14.589 1.00 0.00 N ATOM 9 CA SER A 2 -20.809 21.007 14.400 1.00 0.00 C ATOM 10 C SER A 2 -21.098 21.972 13.254 1.00 0.00 C ATOM 11 O SER A 2 -21.668 21.587 12.233 1.00 0.00 O ATOM 12 CB SER A 2 -19.516 20.239 14.122 1.00 0.00 C ATOM 13 OG SER A 2 -18.393 21.103 14.156 1.00 0.00 O ATOM 0 H SER A 2 -21.758 19.148 14.206 1.00 0.00 H new ATOM 0 HA SER A 2 -20.689 21.584 15.317 1.00 0.00 H new ATOM 0 HB2 SER A 2 -19.393 19.448 14.862 1.00 0.00 H new ATOM 0 HB3 SER A 2 -19.578 19.756 13.147 1.00 0.00 H new ATOM 0 HG SER A 2 -17.579 20.588 13.977 1.00 0.00 H new ATOM 19 N SER A 3 -20.699 23.228 13.431 1.00 0.00 N ATOM 20 CA SER A 3 -20.918 24.249 12.413 1.00 0.00 C ATOM 21 C SER A 3 -19.790 24.243 11.386 1.00 0.00 C ATOM 22 O SER A 3 -18.722 24.809 11.616 1.00 0.00 O ATOM 23 CB SER A 3 -21.024 25.631 13.062 1.00 0.00 C ATOM 24 OG SER A 3 -22.025 25.647 14.065 1.00 0.00 O ATOM 0 H SER A 3 -20.223 23.562 14.269 1.00 0.00 H new ATOM 0 HA SER A 3 -21.853 24.022 11.901 1.00 0.00 H new ATOM 0 HB2 SER A 3 -20.064 25.906 13.498 1.00 0.00 H new ATOM 0 HB3 SER A 3 -21.255 26.377 12.301 1.00 0.00 H new ATOM 0 HG SER A 3 -22.072 26.540 14.466 1.00 0.00 H new ATOM 30 N GLY A 4 -20.036 23.597 10.250 1.00 0.00 N ATOM 31 CA GLY A 4 -19.033 23.528 9.204 1.00 0.00 C ATOM 32 C GLY A 4 -19.502 24.161 7.908 1.00 0.00 C ATOM 33 O GLY A 4 -20.559 24.791 7.864 1.00 0.00 O ATOM 0 H GLY A 4 -20.912 23.120 10.036 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -18.125 24.028 9.542 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -18.773 22.485 9.022 1.00 0.00 H new ATOM 37 N SER A 5 -18.713 23.996 6.851 1.00 0.00 N ATOM 38 CA SER A 5 -19.050 24.561 5.550 1.00 0.00 C ATOM 39 C SER A 5 -18.074 24.082 4.480 1.00 0.00 C ATOM 40 O SER A 5 -17.000 23.566 4.790 1.00 0.00 O ATOM 41 CB SER A 5 -19.041 26.090 5.616 1.00 0.00 C ATOM 42 OG SER A 5 -17.720 26.596 5.543 1.00 0.00 O ATOM 0 H SER A 5 -17.836 23.476 6.870 1.00 0.00 H new ATOM 0 HA SER A 5 -20.051 24.221 5.283 1.00 0.00 H new ATOM 0 HB2 SER A 5 -19.635 26.496 4.797 1.00 0.00 H new ATOM 0 HB3 SER A 5 -19.509 26.420 6.543 1.00 0.00 H new ATOM 0 HG SER A 5 -17.742 27.575 5.585 1.00 0.00 H new ATOM 48 N SER A 6 -18.456 24.256 3.219 1.00 0.00 N ATOM 49 CA SER A 6 -17.617 23.838 2.102 1.00 0.00 C ATOM 50 C SER A 6 -17.815 24.758 0.900 1.00 0.00 C ATOM 51 O SER A 6 -18.911 25.264 0.666 1.00 0.00 O ATOM 52 CB SER A 6 -17.935 22.394 1.710 1.00 0.00 C ATOM 53 OG SER A 6 -16.869 21.818 0.976 1.00 0.00 O ATOM 0 H SER A 6 -19.341 24.683 2.945 1.00 0.00 H new ATOM 0 HA SER A 6 -16.576 23.900 2.419 1.00 0.00 H new ATOM 0 HB2 SER A 6 -18.124 21.804 2.607 1.00 0.00 H new ATOM 0 HB3 SER A 6 -18.847 22.368 1.114 1.00 0.00 H new ATOM 0 HG SER A 6 -17.096 20.895 0.739 1.00 0.00 H new ATOM 59 N GLY A 7 -16.743 24.969 0.142 1.00 0.00 N ATOM 60 CA GLY A 7 -16.818 25.827 -1.026 1.00 0.00 C ATOM 61 C GLY A 7 -15.528 25.837 -1.822 1.00 0.00 C ATOM 62 O GLY A 7 -14.462 26.132 -1.285 1.00 0.00 O ATOM 0 H GLY A 7 -15.824 24.561 0.316 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -17.634 25.493 -1.667 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -17.055 26.843 -0.712 1.00 0.00 H new ATOM 66 N ALA A 8 -15.626 25.511 -3.107 1.00 0.00 N ATOM 67 CA ALA A 8 -14.458 25.484 -3.978 1.00 0.00 C ATOM 68 C ALA A 8 -14.057 26.892 -4.404 1.00 0.00 C ATOM 69 O ALA A 8 -14.534 27.403 -5.417 1.00 0.00 O ATOM 70 CB ALA A 8 -14.731 24.619 -5.200 1.00 0.00 C ATOM 0 H ALA A 8 -16.502 25.262 -3.567 1.00 0.00 H new ATOM 0 HA ALA A 8 -13.628 25.052 -3.418 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -13.850 24.608 -5.842 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -14.961 23.602 -4.882 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -15.577 25.027 -5.753 1.00 0.00 H new ATOM 76 N GLU A 9 -13.179 27.514 -3.623 1.00 0.00 N ATOM 77 CA GLU A 9 -12.717 28.865 -3.920 1.00 0.00 C ATOM 78 C GLU A 9 -11.259 29.045 -3.505 1.00 0.00 C ATOM 79 O GLU A 9 -10.713 28.236 -2.754 1.00 0.00 O ATOM 80 CB GLU A 9 -13.593 29.896 -3.206 1.00 0.00 C ATOM 81 CG GLU A 9 -14.972 30.055 -3.823 1.00 0.00 C ATOM 82 CD GLU A 9 -15.936 30.794 -2.915 1.00 0.00 C ATOM 83 OE1 GLU A 9 -15.980 30.471 -1.710 1.00 0.00 O ATOM 84 OE2 GLU A 9 -16.645 31.695 -3.410 1.00 0.00 O ATOM 0 H GLU A 9 -12.774 27.105 -2.781 1.00 0.00 H new ATOM 0 HA GLU A 9 -12.792 29.019 -4.997 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -13.703 29.605 -2.161 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -13.086 30.861 -3.217 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -14.884 30.592 -4.767 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -15.378 29.070 -4.054 1.00 0.00 H new ATOM 91 N ILE A 10 -10.636 30.109 -4.000 1.00 0.00 N ATOM 92 CA ILE A 10 -9.243 30.395 -3.680 1.00 0.00 C ATOM 93 C ILE A 10 -8.464 29.111 -3.419 1.00 0.00 C ATOM 94 O ILE A 10 -7.663 29.036 -2.487 1.00 0.00 O ATOM 95 CB ILE A 10 -9.125 31.313 -2.449 1.00 0.00 C ATOM 96 CG1 ILE A 10 -9.612 30.585 -1.194 1.00 0.00 C ATOM 97 CG2 ILE A 10 -9.917 32.594 -2.665 1.00 0.00 C ATOM 98 CD1 ILE A 10 -8.905 31.020 0.070 1.00 0.00 C ATOM 0 H ILE A 10 -11.074 30.787 -4.624 1.00 0.00 H new ATOM 0 HA ILE A 10 -8.819 30.905 -4.545 1.00 0.00 H new ATOM 0 HB ILE A 10 -8.076 31.576 -2.310 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -10.683 30.754 -1.078 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -9.471 29.513 -1.328 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -9.824 33.232 -1.786 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -9.529 33.119 -3.538 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -10.967 32.350 -2.826 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -9.301 30.463 0.919 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -7.837 30.825 -0.025 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -9.067 32.086 0.229 1.00 0.00 H new ATOM 110 N PHE A 11 -8.703 28.101 -4.250 1.00 0.00 N ATOM 111 CA PHE A 11 -8.023 26.819 -4.110 1.00 0.00 C ATOM 112 C PHE A 11 -6.572 27.017 -3.680 1.00 0.00 C ATOM 113 O PHE A 11 -5.803 27.710 -4.346 1.00 0.00 O ATOM 114 CB PHE A 11 -8.074 26.044 -5.428 1.00 0.00 C ATOM 115 CG PHE A 11 -9.461 25.906 -5.989 1.00 0.00 C ATOM 116 CD1 PHE A 11 -10.032 26.935 -6.721 1.00 0.00 C ATOM 117 CD2 PHE A 11 -10.193 24.748 -5.785 1.00 0.00 C ATOM 118 CE1 PHE A 11 -11.308 26.812 -7.237 1.00 0.00 C ATOM 119 CE2 PHE A 11 -11.469 24.618 -6.300 1.00 0.00 C ATOM 120 CZ PHE A 11 -12.027 25.651 -7.027 1.00 0.00 C ATOM 0 H PHE A 11 -9.362 28.146 -5.027 1.00 0.00 H new ATOM 0 HA PHE A 11 -8.538 26.246 -3.339 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -7.443 26.547 -6.161 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -7.653 25.051 -5.273 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -9.473 27.844 -6.890 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -9.762 23.937 -5.217 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -11.743 27.622 -7.804 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -12.029 23.710 -6.134 1.00 0.00 H new ATOM 0 HZ PHE A 11 -13.024 25.552 -7.431 1.00 0.00 H new ATOM 130 N THR A 12 -6.205 26.403 -2.559 1.00 0.00 N ATOM 131 CA THR A 12 -4.849 26.512 -2.037 1.00 0.00 C ATOM 132 C THR A 12 -4.061 25.231 -2.282 1.00 0.00 C ATOM 133 O THR A 12 -4.574 24.127 -2.095 1.00 0.00 O ATOM 134 CB THR A 12 -4.850 26.820 -0.528 1.00 0.00 C ATOM 135 OG1 THR A 12 -5.626 27.995 -0.268 1.00 0.00 O ATOM 136 CG2 THR A 12 -3.432 27.019 -0.014 1.00 0.00 C ATOM 0 H THR A 12 -6.829 25.825 -1.995 1.00 0.00 H new ATOM 0 HA THR A 12 -4.372 27.336 -2.568 1.00 0.00 H new ATOM 0 HB THR A 12 -5.292 25.970 -0.007 1.00 0.00 H new ATOM 0 HG1 THR A 12 -5.623 28.183 0.694 1.00 0.00 H new ATOM 0 HG21 THR A 12 -3.459 27.235 1.054 1.00 0.00 H new ATOM 0 HG22 THR A 12 -2.852 26.112 -0.186 1.00 0.00 H new ATOM 0 HG23 THR A 12 -2.967 27.852 -0.541 1.00 0.00 H new ATOM 144 N THR A 13 -2.808 25.382 -2.702 1.00 0.00 N ATOM 145 CA THR A 13 -1.949 24.237 -2.973 1.00 0.00 C ATOM 146 C THR A 13 -1.645 23.463 -1.696 1.00 0.00 C ATOM 147 O THR A 13 -1.715 24.010 -0.594 1.00 0.00 O ATOM 148 CB THR A 13 -0.622 24.672 -3.625 1.00 0.00 C ATOM 149 OG1 THR A 13 0.098 25.535 -2.739 1.00 0.00 O ATOM 150 CG2 THR A 13 -0.876 25.386 -4.944 1.00 0.00 C ATOM 0 H THR A 13 -2.366 26.287 -2.862 1.00 0.00 H new ATOM 0 HA THR A 13 -2.491 23.592 -3.665 1.00 0.00 H new ATOM 0 HB THR A 13 -0.029 23.779 -3.823 1.00 0.00 H new ATOM 0 HG1 THR A 13 0.941 25.806 -3.159 1.00 0.00 H new ATOM 0 HG21 THR A 13 0.075 25.684 -5.386 1.00 0.00 H new ATOM 0 HG22 THR A 13 -1.399 24.715 -5.626 1.00 0.00 H new ATOM 0 HG23 THR A 13 -1.487 26.271 -4.767 1.00 0.00 H new ATOM 158 N LEU A 14 -1.307 22.188 -1.849 1.00 0.00 N ATOM 159 CA LEU A 14 -0.991 21.337 -0.706 1.00 0.00 C ATOM 160 C LEU A 14 0.440 20.814 -0.796 1.00 0.00 C ATOM 161 O LEU A 14 0.808 20.148 -1.763 1.00 0.00 O ATOM 162 CB LEU A 14 -1.971 20.165 -0.631 1.00 0.00 C ATOM 163 CG LEU A 14 -3.414 20.471 -1.032 1.00 0.00 C ATOM 164 CD1 LEU A 14 -4.179 19.183 -1.294 1.00 0.00 C ATOM 165 CD2 LEU A 14 -4.104 21.294 0.045 1.00 0.00 C ATOM 0 H LEU A 14 -1.244 21.720 -2.753 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.083 21.937 0.199 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.599 19.365 -1.271 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.972 19.783 0.390 1.00 0.00 H new ATOM 0 HG LEU A 14 -3.399 21.055 -1.953 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -5.204 19.420 -1.578 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.697 18.631 -2.101 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.185 18.573 -0.391 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -5.130 21.502 -0.258 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -4.108 20.737 0.982 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -3.569 22.233 0.184 1.00 0.00 H new ATOM 177 N SER A 15 1.240 21.119 0.220 1.00 0.00 N ATOM 178 CA SER A 15 2.631 20.681 0.256 1.00 0.00 C ATOM 179 C SER A 15 2.968 20.052 1.604 1.00 0.00 C ATOM 180 O SER A 15 3.825 20.549 2.336 1.00 0.00 O ATOM 181 CB SER A 15 3.566 21.861 -0.018 1.00 0.00 C ATOM 182 OG SER A 15 3.269 22.955 0.832 1.00 0.00 O ATOM 0 H SER A 15 0.949 21.668 1.029 1.00 0.00 H new ATOM 0 HA SER A 15 2.770 19.929 -0.520 1.00 0.00 H new ATOM 0 HB2 SER A 15 4.600 21.551 0.131 1.00 0.00 H new ATOM 0 HB3 SER A 15 3.472 22.169 -1.059 1.00 0.00 H new ATOM 0 HG SER A 15 3.406 22.690 1.766 1.00 0.00 H new ATOM 188 N CYS A 16 2.288 18.957 1.926 1.00 0.00 N ATOM 189 CA CYS A 16 2.514 18.260 3.186 1.00 0.00 C ATOM 190 C CYS A 16 2.836 16.789 2.944 1.00 0.00 C ATOM 191 O CYS A 16 3.720 16.223 3.586 1.00 0.00 O ATOM 192 CB CYS A 16 1.285 18.383 4.089 1.00 0.00 C ATOM 193 SG CYS A 16 1.558 17.827 5.788 1.00 0.00 S ATOM 0 H CYS A 16 1.576 18.533 1.331 1.00 0.00 H new ATOM 0 HA CYS A 16 3.368 18.724 3.681 1.00 0.00 H new ATOM 0 HB2 CYS A 16 0.963 19.424 4.106 1.00 0.00 H new ATOM 0 HB3 CYS A 16 0.469 17.804 3.655 1.00 0.00 H new ATOM 0 HG CYS A 16 1.302 16.556 5.875 1.00 0.00 H new ATOM 199 N GLU A 17 2.111 16.175 2.013 1.00 0.00 N ATOM 200 CA GLU A 17 2.319 14.769 1.688 1.00 0.00 C ATOM 201 C GLU A 17 1.472 14.357 0.487 1.00 0.00 C ATOM 202 O GLU A 17 0.412 14.924 0.220 1.00 0.00 O ATOM 203 CB GLU A 17 1.979 13.888 2.892 1.00 0.00 C ATOM 204 CG GLU A 17 0.511 13.931 3.281 1.00 0.00 C ATOM 205 CD GLU A 17 0.292 13.675 4.760 1.00 0.00 C ATOM 206 OE1 GLU A 17 0.786 14.476 5.581 1.00 0.00 O ATOM 207 OE2 GLU A 17 -0.374 12.673 5.095 1.00 0.00 O ATOM 0 H GLU A 17 1.375 16.629 1.472 1.00 0.00 H new ATOM 0 HA GLU A 17 3.370 14.633 1.433 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.257 12.858 2.668 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.582 14.203 3.744 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.098 14.905 3.020 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -0.036 13.187 2.702 1.00 0.00 H new ATOM 214 N PRO A 18 1.950 13.347 -0.255 1.00 0.00 N ATOM 215 CA PRO A 18 1.254 12.837 -1.440 1.00 0.00 C ATOM 216 C PRO A 18 -0.030 12.096 -1.082 1.00 0.00 C ATOM 217 O PRO A 18 -0.420 12.037 0.084 1.00 0.00 O ATOM 218 CB PRO A 18 2.270 11.876 -2.062 1.00 0.00 C ATOM 219 CG PRO A 18 3.131 11.447 -0.925 1.00 0.00 C ATOM 220 CD PRO A 18 3.208 12.626 0.005 1.00 0.00 C ATOM 0 HA PRO A 18 0.943 13.640 -2.108 1.00 0.00 H new ATOM 0 HB2 PRO A 18 1.775 11.024 -2.527 1.00 0.00 H new ATOM 0 HB3 PRO A 18 2.856 12.368 -2.839 1.00 0.00 H new ATOM 0 HG2 PRO A 18 2.707 10.579 -0.420 1.00 0.00 H new ATOM 0 HG3 PRO A 18 4.123 11.160 -1.274 1.00 0.00 H new ATOM 0 HD2 PRO A 18 3.284 12.312 1.046 1.00 0.00 H new ATOM 0 HD3 PRO A 18 4.078 13.248 -0.205 1.00 0.00 H new ATOM 228 N ASP A 19 -0.683 11.533 -2.093 1.00 0.00 N ATOM 229 CA ASP A 19 -1.923 10.794 -1.885 1.00 0.00 C ATOM 230 C ASP A 19 -1.639 9.399 -1.336 1.00 0.00 C ATOM 231 O ASP A 19 -0.548 8.859 -1.521 1.00 0.00 O ATOM 232 CB ASP A 19 -2.706 10.691 -3.194 1.00 0.00 C ATOM 233 CG ASP A 19 -4.189 10.475 -2.967 1.00 0.00 C ATOM 234 OD1 ASP A 19 -4.547 9.522 -2.243 1.00 0.00 O ATOM 235 OD2 ASP A 19 -4.993 11.260 -3.512 1.00 0.00 O ATOM 0 H ASP A 19 -0.374 11.574 -3.064 1.00 0.00 H new ATOM 0 HA ASP A 19 -2.522 11.337 -1.154 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -2.559 11.602 -3.774 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -2.309 9.868 -3.788 1.00 0.00 H new ATOM 240 N ILE A 20 -2.627 8.823 -0.660 1.00 0.00 N ATOM 241 CA ILE A 20 -2.483 7.491 -0.084 1.00 0.00 C ATOM 242 C ILE A 20 -2.464 6.422 -1.171 1.00 0.00 C ATOM 243 O ILE A 20 -3.414 6.263 -1.938 1.00 0.00 O ATOM 244 CB ILE A 20 -3.621 7.180 0.906 1.00 0.00 C ATOM 245 CG1 ILE A 20 -3.599 8.172 2.071 1.00 0.00 C ATOM 246 CG2 ILE A 20 -3.502 5.752 1.417 1.00 0.00 C ATOM 247 CD1 ILE A 20 -4.833 8.108 2.943 1.00 0.00 C ATOM 0 H ILE A 20 -3.536 9.257 -0.498 1.00 0.00 H new ATOM 0 HA ILE A 20 -1.533 7.479 0.451 1.00 0.00 H new ATOM 0 HB ILE A 20 -4.573 7.281 0.386 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -2.720 7.979 2.685 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -3.496 9.182 1.675 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -4.313 5.547 2.116 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -3.562 5.059 0.578 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -2.546 5.626 1.924 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -4.748 8.838 3.748 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -5.715 8.331 2.342 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -4.927 7.109 3.368 1.00 0.00 H new ATOM 259 N PRO A 21 -1.356 5.668 -1.240 1.00 0.00 N ATOM 260 CA PRO A 21 -1.186 4.598 -2.227 1.00 0.00 C ATOM 261 C PRO A 21 -2.098 3.407 -1.954 1.00 0.00 C ATOM 262 O PRO A 21 -2.464 3.143 -0.810 1.00 0.00 O ATOM 263 CB PRO A 21 0.282 4.196 -2.066 1.00 0.00 C ATOM 264 CG PRO A 21 0.626 4.574 -0.667 1.00 0.00 C ATOM 265 CD PRO A 21 -0.184 5.802 -0.358 1.00 0.00 C ATOM 0 HA PRO A 21 -1.443 4.928 -3.234 1.00 0.00 H new ATOM 0 HB2 PRO A 21 0.421 3.128 -2.233 1.00 0.00 H new ATOM 0 HB3 PRO A 21 0.916 4.716 -2.784 1.00 0.00 H new ATOM 0 HG2 PRO A 21 0.389 3.766 0.025 1.00 0.00 H new ATOM 0 HG3 PRO A 21 1.693 4.775 -0.568 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -0.473 5.839 0.692 1.00 0.00 H new ATOM 0 HD3 PRO A 21 0.374 6.715 -0.567 1.00 0.00 H new ATOM 273 N ASN A 22 -2.461 2.690 -3.013 1.00 0.00 N ATOM 274 CA ASN A 22 -3.331 1.527 -2.886 1.00 0.00 C ATOM 275 C ASN A 22 -2.667 0.441 -2.045 1.00 0.00 C ATOM 276 O ASN A 22 -1.443 0.337 -1.974 1.00 0.00 O ATOM 277 CB ASN A 22 -3.681 0.973 -4.269 1.00 0.00 C ATOM 278 CG ASN A 22 -3.858 2.069 -5.303 1.00 0.00 C ATOM 279 OD1 ASN A 22 -2.882 2.596 -5.838 1.00 0.00 O ATOM 280 ND2 ASN A 22 -5.107 2.417 -5.588 1.00 0.00 N ATOM 0 H ASN A 22 -2.166 2.894 -3.968 1.00 0.00 H new ATOM 0 HA ASN A 22 -4.246 1.842 -2.385 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -2.894 0.293 -4.595 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -4.599 0.389 -4.202 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -5.288 3.149 -6.275 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -5.885 1.953 -5.120 1.00 0.00 H new ATOM 287 N PRO A 23 -3.494 -0.389 -1.391 1.00 0.00 N ATOM 288 CA PRO A 23 -3.010 -1.483 -0.544 1.00 0.00 C ATOM 289 C PRO A 23 -2.367 -2.603 -1.354 1.00 0.00 C ATOM 290 O PRO A 23 -2.790 -2.919 -2.466 1.00 0.00 O ATOM 291 CB PRO A 23 -4.281 -1.984 0.148 1.00 0.00 C ATOM 292 CG PRO A 23 -5.388 -1.610 -0.776 1.00 0.00 C ATOM 293 CD PRO A 23 -4.965 -0.324 -1.430 1.00 0.00 C ATOM 0 HA PRO A 23 -2.234 -1.152 0.146 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -4.246 -3.062 0.308 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -4.408 -1.520 1.126 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -5.556 -2.389 -1.520 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -6.324 -1.482 -0.232 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -5.337 -0.252 -2.452 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -5.343 0.544 -0.891 1.00 0.00 H new ATOM 301 N PRO A 24 -1.321 -3.221 -0.785 1.00 0.00 N ATOM 302 CA PRO A 24 -0.599 -4.317 -1.437 1.00 0.00 C ATOM 303 C PRO A 24 -1.432 -5.592 -1.520 1.00 0.00 C ATOM 304 O PRO A 24 -2.201 -5.902 -0.611 1.00 0.00 O ATOM 305 CB PRO A 24 0.616 -4.530 -0.530 1.00 0.00 C ATOM 306 CG PRO A 24 0.183 -4.035 0.806 1.00 0.00 C ATOM 307 CD PRO A 24 -0.764 -2.897 0.539 1.00 0.00 C ATOM 0 HA PRO A 24 -0.341 -4.079 -2.469 1.00 0.00 H new ATOM 0 HB2 PRO A 24 0.900 -5.582 -0.489 1.00 0.00 H new ATOM 0 HB3 PRO A 24 1.483 -3.979 -0.894 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -0.307 -4.825 1.375 1.00 0.00 H new ATOM 0 HG3 PRO A 24 1.038 -3.702 1.394 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -1.543 -2.836 1.299 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -0.248 -1.937 0.534 1.00 0.00 H new ATOM 315 N ARG A 25 -1.272 -6.327 -2.616 1.00 0.00 N ATOM 316 CA ARG A 25 -2.010 -7.568 -2.817 1.00 0.00 C ATOM 317 C ARG A 25 -1.089 -8.777 -2.680 1.00 0.00 C ATOM 318 O ARG A 25 0.127 -8.631 -2.551 1.00 0.00 O ATOM 319 CB ARG A 25 -2.674 -7.573 -4.196 1.00 0.00 C ATOM 320 CG ARG A 25 -1.725 -7.225 -5.330 1.00 0.00 C ATOM 321 CD ARG A 25 -2.235 -7.749 -6.664 1.00 0.00 C ATOM 322 NE ARG A 25 -1.914 -9.160 -6.856 1.00 0.00 N ATOM 323 CZ ARG A 25 -2.455 -9.914 -7.807 1.00 0.00 C ATOM 324 NH1 ARG A 25 -3.338 -9.394 -8.648 1.00 0.00 N ATOM 325 NH2 ARG A 25 -2.112 -11.191 -7.919 1.00 0.00 N ATOM 0 H ARG A 25 -0.638 -6.085 -3.378 1.00 0.00 H new ATOM 0 HA ARG A 25 -2.781 -7.632 -2.049 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -3.101 -8.559 -4.381 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -3.501 -6.863 -4.194 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -1.604 -6.143 -5.385 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -0.741 -7.646 -5.125 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -3.315 -7.612 -6.718 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -1.799 -7.164 -7.474 1.00 0.00 H new ATOM 0 HE ARG A 25 -1.237 -9.591 -6.226 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -3.604 -8.413 -8.566 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -3.752 -9.975 -9.377 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -1.432 -11.595 -7.275 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -2.528 -11.769 -8.649 1.00 0.00 H new ATOM 339 N ILE A 26 -1.676 -9.968 -2.709 1.00 0.00 N ATOM 340 CA ILE A 26 -0.909 -11.201 -2.588 1.00 0.00 C ATOM 341 C ILE A 26 -0.715 -11.864 -3.948 1.00 0.00 C ATOM 342 O ILE A 26 -1.682 -12.149 -4.653 1.00 0.00 O ATOM 343 CB ILE A 26 -1.593 -12.200 -1.636 1.00 0.00 C ATOM 344 CG1 ILE A 26 -1.237 -11.878 -0.183 1.00 0.00 C ATOM 345 CG2 ILE A 26 -1.188 -13.625 -1.983 1.00 0.00 C ATOM 346 CD1 ILE A 26 0.202 -12.183 0.168 1.00 0.00 C ATOM 0 H ILE A 26 -2.681 -10.105 -2.815 1.00 0.00 H new ATOM 0 HA ILE A 26 0.063 -10.928 -2.177 1.00 0.00 H new ATOM 0 HB ILE A 26 -2.673 -12.111 -1.754 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -1.433 -10.822 0.005 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.892 -12.446 0.478 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -1.680 -14.319 -1.301 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.487 -13.849 -3.007 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.107 -13.729 -1.890 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.383 -11.930 1.213 1.00 0.00 H new ATOM 0 HD12 ILE A 26 0.398 -13.244 0.012 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.864 -11.595 -0.468 1.00 0.00 H new ATOM 358 N ALA A 27 0.541 -12.107 -4.308 1.00 0.00 N ATOM 359 CA ALA A 27 0.861 -12.739 -5.582 1.00 0.00 C ATOM 360 C ALA A 27 1.452 -14.129 -5.371 1.00 0.00 C ATOM 361 O ALA A 27 1.525 -14.930 -6.302 1.00 0.00 O ATOM 362 CB ALA A 27 1.824 -11.869 -6.376 1.00 0.00 C ATOM 0 H ALA A 27 1.353 -11.876 -3.736 1.00 0.00 H new ATOM 0 HA ALA A 27 -0.064 -12.848 -6.148 1.00 0.00 H new ATOM 0 HB1 ALA A 27 2.054 -12.353 -7.325 1.00 0.00 H new ATOM 0 HB2 ALA A 27 1.366 -10.898 -6.566 1.00 0.00 H new ATOM 0 HB3 ALA A 27 2.743 -11.731 -5.807 1.00 0.00 H new ATOM 368 N ASN A 28 1.872 -14.408 -4.142 1.00 0.00 N ATOM 369 CA ASN A 28 2.458 -15.702 -3.809 1.00 0.00 C ATOM 370 C ASN A 28 2.746 -15.801 -2.314 1.00 0.00 C ATOM 371 O ASN A 28 3.593 -15.081 -1.786 1.00 0.00 O ATOM 372 CB ASN A 28 3.748 -15.920 -4.604 1.00 0.00 C ATOM 373 CG ASN A 28 4.087 -17.390 -4.763 1.00 0.00 C ATOM 374 OD1 ASN A 28 3.201 -18.227 -4.939 1.00 0.00 O ATOM 375 ND2 ASN A 28 5.374 -17.710 -4.701 1.00 0.00 N ATOM 0 H ASN A 28 1.818 -13.756 -3.360 1.00 0.00 H new ATOM 0 HA ASN A 28 1.739 -16.477 -4.074 1.00 0.00 H new ATOM 0 HB2 ASN A 28 3.646 -15.465 -5.589 1.00 0.00 H new ATOM 0 HB3 ASN A 28 4.571 -15.412 -4.102 1.00 0.00 H new ATOM 0 HD21 ASN A 28 5.663 -18.683 -4.801 1.00 0.00 H new ATOM 0 HD22 ASN A 28 6.074 -16.983 -4.554 1.00 0.00 H new ATOM 382 N ARG A 29 2.035 -16.698 -1.639 1.00 0.00 N ATOM 383 CA ARG A 29 2.213 -16.891 -0.205 1.00 0.00 C ATOM 384 C ARG A 29 2.409 -18.368 0.124 1.00 0.00 C ATOM 385 O ARG A 29 1.691 -19.230 -0.384 1.00 0.00 O ATOM 386 CB ARG A 29 1.007 -16.343 0.559 1.00 0.00 C ATOM 387 CG ARG A 29 -0.310 -16.993 0.166 1.00 0.00 C ATOM 388 CD ARG A 29 -1.299 -16.991 1.321 1.00 0.00 C ATOM 389 NE ARG A 29 -2.459 -17.836 1.049 1.00 0.00 N ATOM 390 CZ ARG A 29 -3.413 -17.517 0.182 1.00 0.00 C ATOM 391 NH1 ARG A 29 -3.346 -16.379 -0.494 1.00 0.00 N ATOM 392 NH2 ARG A 29 -4.438 -18.339 -0.010 1.00 0.00 N ATOM 0 H ARG A 29 1.331 -17.302 -2.062 1.00 0.00 H new ATOM 0 HA ARG A 29 3.106 -16.346 0.101 1.00 0.00 H new ATOM 0 HB2 ARG A 29 1.169 -16.486 1.627 1.00 0.00 H new ATOM 0 HB3 ARG A 29 0.937 -15.269 0.389 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -0.740 -16.462 -0.683 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -0.129 -18.018 -0.157 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -0.801 -17.339 2.226 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -1.631 -15.971 1.513 1.00 0.00 H new ATOM 0 HE ARG A 29 -2.541 -18.719 1.552 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -2.560 -15.745 -0.349 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -4.080 -16.137 -1.159 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -4.493 -19.216 0.509 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -5.171 -18.094 -0.676 1.00 0.00 H new ATOM 406 N THR A 30 3.386 -18.655 0.979 1.00 0.00 N ATOM 407 CA THR A 30 3.678 -20.027 1.375 1.00 0.00 C ATOM 408 C THR A 30 3.510 -20.212 2.879 1.00 0.00 C ATOM 409 O THR A 30 3.137 -19.280 3.592 1.00 0.00 O ATOM 410 CB THR A 30 5.108 -20.435 0.975 1.00 0.00 C ATOM 411 OG1 THR A 30 6.017 -20.144 2.043 1.00 0.00 O ATOM 412 CG2 THR A 30 5.548 -19.704 -0.284 1.00 0.00 C ATOM 0 H THR A 30 3.989 -17.955 1.411 1.00 0.00 H new ATOM 0 HA THR A 30 2.967 -20.666 0.851 1.00 0.00 H new ATOM 0 HB THR A 30 5.113 -21.506 0.774 1.00 0.00 H new ATOM 0 HG1 THR A 30 6.924 -20.408 1.782 1.00 0.00 H new ATOM 0 HG21 THR A 30 6.561 -20.009 -0.546 1.00 0.00 H new ATOM 0 HG22 THR A 30 4.872 -19.950 -1.103 1.00 0.00 H new ATOM 0 HG23 THR A 30 5.527 -18.629 -0.107 1.00 0.00 H new ATOM 420 N LYS A 31 3.788 -21.421 3.356 1.00 0.00 N ATOM 421 CA LYS A 31 3.670 -21.729 4.776 1.00 0.00 C ATOM 422 C LYS A 31 4.730 -20.986 5.584 1.00 0.00 C ATOM 423 O LYS A 31 4.559 -20.748 6.779 1.00 0.00 O ATOM 424 CB LYS A 31 3.803 -23.236 5.004 1.00 0.00 C ATOM 425 CG LYS A 31 2.893 -24.069 4.118 1.00 0.00 C ATOM 426 CD LYS A 31 2.943 -25.540 4.493 1.00 0.00 C ATOM 427 CE LYS A 31 1.652 -26.254 4.123 1.00 0.00 C ATOM 428 NZ LYS A 31 1.546 -27.586 4.780 1.00 0.00 N ATOM 0 H LYS A 31 4.097 -22.204 2.779 1.00 0.00 H new ATOM 0 HA LYS A 31 2.686 -21.402 5.113 1.00 0.00 H new ATOM 0 HB2 LYS A 31 4.837 -23.532 4.828 1.00 0.00 H new ATOM 0 HB3 LYS A 31 3.582 -23.458 6.048 1.00 0.00 H new ATOM 0 HG2 LYS A 31 1.869 -23.706 4.203 1.00 0.00 H new ATOM 0 HG3 LYS A 31 3.188 -23.948 3.076 1.00 0.00 H new ATOM 0 HD2 LYS A 31 3.782 -26.017 3.987 1.00 0.00 H new ATOM 0 HD3 LYS A 31 3.120 -25.638 5.564 1.00 0.00 H new ATOM 0 HE2 LYS A 31 0.801 -25.638 4.412 1.00 0.00 H new ATOM 0 HE3 LYS A 31 1.603 -26.378 3.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 0.652 -28.040 4.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 2.344 -28.183 4.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 1.567 -27.466 5.813 1.00 0.00 H new ATOM 442 N ASN A 32 5.824 -20.622 4.923 1.00 0.00 N ATOM 443 CA ASN A 32 6.911 -19.905 5.580 1.00 0.00 C ATOM 444 C ASN A 32 7.393 -18.741 4.720 1.00 0.00 C ATOM 445 O ASN A 32 8.586 -18.442 4.675 1.00 0.00 O ATOM 446 CB ASN A 32 8.074 -20.856 5.870 1.00 0.00 C ATOM 447 CG ASN A 32 7.775 -21.803 7.016 1.00 0.00 C ATOM 448 OD1 ASN A 32 8.299 -21.645 8.120 1.00 0.00 O ATOM 449 ND2 ASN A 32 6.929 -22.794 6.759 1.00 0.00 N ATOM 0 H ASN A 32 5.981 -20.812 3.933 1.00 0.00 H new ATOM 0 HA ASN A 32 6.533 -19.505 6.521 1.00 0.00 H new ATOM 0 HB2 ASN A 32 8.299 -21.434 4.974 1.00 0.00 H new ATOM 0 HB3 ASN A 32 8.965 -20.274 6.106 1.00 0.00 H new ATOM 0 HD21 ASN A 32 6.689 -23.463 7.491 1.00 0.00 H new ATOM 0 HD22 ASN A 32 6.519 -22.886 5.830 1.00 0.00 H new ATOM 456 N SER A 33 6.457 -18.088 4.040 1.00 0.00 N ATOM 457 CA SER A 33 6.786 -16.958 3.178 1.00 0.00 C ATOM 458 C SER A 33 5.525 -16.205 2.765 1.00 0.00 C ATOM 459 O SER A 33 4.418 -16.741 2.827 1.00 0.00 O ATOM 460 CB SER A 33 7.537 -17.439 1.935 1.00 0.00 C ATOM 461 OG SER A 33 8.796 -17.989 2.281 1.00 0.00 O ATOM 0 H SER A 33 5.464 -18.321 4.069 1.00 0.00 H new ATOM 0 HA SER A 33 7.427 -16.278 3.740 1.00 0.00 H new ATOM 0 HB2 SER A 33 6.941 -18.187 1.413 1.00 0.00 H new ATOM 0 HB3 SER A 33 7.677 -16.606 1.246 1.00 0.00 H new ATOM 0 HG SER A 33 9.033 -17.716 3.192 1.00 0.00 H new ATOM 467 N LEU A 34 5.701 -14.957 2.344 1.00 0.00 N ATOM 468 CA LEU A 34 4.579 -14.127 1.920 1.00 0.00 C ATOM 469 C LEU A 34 5.034 -13.059 0.931 1.00 0.00 C ATOM 470 O LEU A 34 5.837 -12.187 1.268 1.00 0.00 O ATOM 471 CB LEU A 34 3.919 -13.469 3.133 1.00 0.00 C ATOM 472 CG LEU A 34 2.756 -14.236 3.763 1.00 0.00 C ATOM 473 CD1 LEU A 34 2.386 -13.632 5.109 1.00 0.00 C ATOM 474 CD2 LEU A 34 1.554 -14.243 2.831 1.00 0.00 C ATOM 0 H LEU A 34 6.610 -14.498 2.287 1.00 0.00 H new ATOM 0 HA LEU A 34 3.852 -14.769 1.423 1.00 0.00 H new ATOM 0 HB2 LEU A 34 4.681 -13.314 3.896 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.560 -12.484 2.836 1.00 0.00 H new ATOM 0 HG LEU A 34 3.071 -15.267 3.924 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.557 -14.191 5.543 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.245 -13.680 5.778 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.091 -12.592 4.972 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.736 -14.793 3.296 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.238 -13.218 2.637 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.826 -14.723 1.891 1.00 0.00 H new ATOM 486 N THR A 35 4.515 -13.129 -0.290 1.00 0.00 N ATOM 487 CA THR A 35 4.867 -12.168 -1.327 1.00 0.00 C ATOM 488 C THR A 35 3.772 -11.122 -1.502 1.00 0.00 C ATOM 489 O THR A 35 2.600 -11.459 -1.681 1.00 0.00 O ATOM 490 CB THR A 35 5.116 -12.865 -2.678 1.00 0.00 C ATOM 491 OG1 THR A 35 5.990 -13.984 -2.498 1.00 0.00 O ATOM 492 CG2 THR A 35 5.724 -11.897 -3.682 1.00 0.00 C ATOM 0 H THR A 35 3.848 -13.842 -0.585 1.00 0.00 H new ATOM 0 HA THR A 35 5.786 -11.678 -1.005 1.00 0.00 H new ATOM 0 HB THR A 35 4.158 -13.211 -3.065 1.00 0.00 H new ATOM 0 HG1 THR A 35 5.473 -14.756 -2.187 1.00 0.00 H new ATOM 0 HG21 THR A 35 5.891 -12.412 -4.628 1.00 0.00 H new ATOM 0 HG22 THR A 35 5.043 -11.060 -3.839 1.00 0.00 H new ATOM 0 HG23 THR A 35 6.674 -11.525 -3.299 1.00 0.00 H new ATOM 500 N LEU A 36 4.159 -9.852 -1.451 1.00 0.00 N ATOM 501 CA LEU A 36 3.209 -8.756 -1.605 1.00 0.00 C ATOM 502 C LEU A 36 3.646 -7.809 -2.718 1.00 0.00 C ATOM 503 O LEU A 36 4.804 -7.395 -2.774 1.00 0.00 O ATOM 504 CB LEU A 36 3.071 -7.987 -0.290 1.00 0.00 C ATOM 505 CG LEU A 36 2.609 -8.801 0.919 1.00 0.00 C ATOM 506 CD1 LEU A 36 3.119 -8.178 2.209 1.00 0.00 C ATOM 507 CD2 LEU A 36 1.091 -8.910 0.940 1.00 0.00 C ATOM 0 H LEU A 36 5.124 -9.556 -1.304 1.00 0.00 H new ATOM 0 HA LEU A 36 2.242 -9.181 -1.874 1.00 0.00 H new ATOM 0 HB2 LEU A 36 4.035 -7.537 -0.053 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.367 -7.169 -0.443 1.00 0.00 H new ATOM 0 HG LEU A 36 3.024 -9.805 0.837 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.780 -8.771 3.058 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.209 -8.153 2.195 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.734 -7.162 2.299 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.780 -9.493 1.807 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.655 -7.913 0.998 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.749 -9.403 0.030 1.00 0.00 H new ATOM 519 N GLN A 37 2.712 -7.469 -3.600 1.00 0.00 N ATOM 520 CA GLN A 37 3.001 -6.569 -4.710 1.00 0.00 C ATOM 521 C GLN A 37 2.066 -5.364 -4.692 1.00 0.00 C ATOM 522 O GLN A 37 0.853 -5.510 -4.545 1.00 0.00 O ATOM 523 CB GLN A 37 2.871 -7.310 -6.042 1.00 0.00 C ATOM 524 CG GLN A 37 3.987 -8.312 -6.292 1.00 0.00 C ATOM 525 CD GLN A 37 4.219 -8.571 -7.768 1.00 0.00 C ATOM 526 OE1 GLN A 37 4.342 -7.637 -8.561 1.00 0.00 O ATOM 527 NE2 GLN A 37 4.282 -9.843 -8.144 1.00 0.00 N ATOM 0 H GLN A 37 1.749 -7.803 -3.568 1.00 0.00 H new ATOM 0 HA GLN A 37 4.025 -6.213 -4.598 1.00 0.00 H new ATOM 0 HB2 GLN A 37 1.914 -7.831 -6.067 1.00 0.00 H new ATOM 0 HB3 GLN A 37 2.859 -6.582 -6.853 1.00 0.00 H new ATOM 0 HG2 GLN A 37 4.909 -7.943 -5.842 1.00 0.00 H new ATOM 0 HG3 GLN A 37 3.744 -9.252 -5.796 1.00 0.00 H new ATOM 0 HE21 GLN A 37 4.175 -10.585 -7.453 1.00 0.00 H new ATOM 0 HE22 GLN A 37 4.438 -10.078 -9.124 1.00 0.00 H new ATOM 536 N TRP A 38 2.639 -4.176 -4.842 1.00 0.00 N ATOM 537 CA TRP A 38 1.856 -2.945 -4.843 1.00 0.00 C ATOM 538 C TRP A 38 2.267 -2.039 -5.998 1.00 0.00 C ATOM 539 O TRP A 38 3.220 -2.331 -6.722 1.00 0.00 O ATOM 540 CB TRP A 38 2.028 -2.207 -3.514 1.00 0.00 C ATOM 541 CG TRP A 38 3.447 -1.815 -3.231 1.00 0.00 C ATOM 542 CD1 TRP A 38 4.086 -0.686 -3.657 1.00 0.00 C ATOM 543 CD2 TRP A 38 4.402 -2.553 -2.461 1.00 0.00 C ATOM 544 NE1 TRP A 38 5.381 -0.677 -3.198 1.00 0.00 N ATOM 545 CE2 TRP A 38 5.599 -1.811 -2.462 1.00 0.00 C ATOM 546 CE3 TRP A 38 4.362 -3.767 -1.771 1.00 0.00 C ATOM 547 CZ2 TRP A 38 6.744 -2.246 -1.799 1.00 0.00 C ATOM 548 CZ3 TRP A 38 5.499 -4.197 -1.114 1.00 0.00 C ATOM 549 CH2 TRP A 38 6.677 -3.438 -1.131 1.00 0.00 C ATOM 0 H TRP A 38 3.642 -4.038 -4.964 1.00 0.00 H new ATOM 0 HA TRP A 38 0.807 -3.211 -4.971 1.00 0.00 H new ATOM 0 HB2 TRP A 38 1.406 -1.312 -3.521 1.00 0.00 H new ATOM 0 HB3 TRP A 38 1.666 -2.841 -2.705 1.00 0.00 H new ATOM 0 HD1 TRP A 38 3.639 0.086 -4.265 1.00 0.00 H new ATOM 0 HE1 TRP A 38 6.068 0.055 -3.376 1.00 0.00 H new ATOM 0 HE3 TRP A 38 3.459 -4.359 -1.751 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 7.653 -1.663 -1.812 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 5.480 -5.134 -0.578 1.00 0.00 H new ATOM 0 HH2 TRP A 38 7.549 -3.801 -0.607 1.00 0.00 H new ATOM 560 N LYS A 39 1.543 -0.938 -6.168 1.00 0.00 N ATOM 561 CA LYS A 39 1.833 0.012 -7.235 1.00 0.00 C ATOM 562 C LYS A 39 2.230 1.369 -6.662 1.00 0.00 C ATOM 563 O LYS A 39 2.237 1.563 -5.447 1.00 0.00 O ATOM 564 CB LYS A 39 0.616 0.170 -8.149 1.00 0.00 C ATOM 565 CG LYS A 39 0.022 -1.152 -8.604 1.00 0.00 C ATOM 566 CD LYS A 39 -0.982 -1.688 -7.598 1.00 0.00 C ATOM 567 CE LYS A 39 -1.414 -3.105 -7.941 1.00 0.00 C ATOM 568 NZ LYS A 39 -1.832 -3.866 -6.731 1.00 0.00 N ATOM 0 H LYS A 39 0.750 -0.682 -5.580 1.00 0.00 H new ATOM 0 HA LYS A 39 2.669 -0.377 -7.816 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -0.150 0.742 -7.625 1.00 0.00 H new ATOM 0 HB3 LYS A 39 0.903 0.751 -9.026 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -0.465 -1.020 -9.570 1.00 0.00 H new ATOM 0 HG3 LYS A 39 0.820 -1.881 -8.746 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -0.543 -1.672 -6.601 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -1.856 -1.037 -7.572 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -2.240 -3.071 -8.652 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -0.592 -3.626 -8.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -2.135 -4.821 -7.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -1.031 -3.935 -6.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -2.622 -3.374 -6.267 1.00 0.00 H new ATOM 582 N ALA A 40 2.560 2.306 -7.546 1.00 0.00 N ATOM 583 CA ALA A 40 2.955 3.645 -7.128 1.00 0.00 C ATOM 584 C ALA A 40 1.828 4.646 -7.354 1.00 0.00 C ATOM 585 O ALA A 40 1.206 4.687 -8.417 1.00 0.00 O ATOM 586 CB ALA A 40 4.209 4.082 -7.871 1.00 0.00 C ATOM 0 H ALA A 40 2.561 2.162 -8.556 1.00 0.00 H new ATOM 0 HA ALA A 40 3.171 3.616 -6.060 1.00 0.00 H new ATOM 0 HB1 ALA A 40 4.492 5.084 -7.549 1.00 0.00 H new ATOM 0 HB2 ALA A 40 5.021 3.388 -7.654 1.00 0.00 H new ATOM 0 HB3 ALA A 40 4.013 4.088 -8.943 1.00 0.00 H new ATOM 592 N PRO A 41 1.555 5.472 -6.334 1.00 0.00 N ATOM 593 CA PRO A 41 0.500 6.489 -6.399 1.00 0.00 C ATOM 594 C PRO A 41 0.848 7.625 -7.354 1.00 0.00 C ATOM 595 O PRO A 41 1.753 7.500 -8.179 1.00 0.00 O ATOM 596 CB PRO A 41 0.417 7.006 -4.960 1.00 0.00 C ATOM 597 CG PRO A 41 1.766 6.742 -4.385 1.00 0.00 C ATOM 598 CD PRO A 41 2.255 5.479 -5.039 1.00 0.00 C ATOM 0 HA PRO A 41 -0.438 6.080 -6.774 1.00 0.00 H new ATOM 0 HB2 PRO A 41 0.177 8.069 -4.934 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -0.361 6.490 -4.398 1.00 0.00 H new ATOM 0 HG2 PRO A 41 2.444 7.572 -4.583 1.00 0.00 H new ATOM 0 HG3 PRO A 41 1.713 6.626 -3.303 1.00 0.00 H new ATOM 0 HD2 PRO A 41 3.337 5.486 -5.167 1.00 0.00 H new ATOM 0 HD3 PRO A 41 2.010 4.598 -4.445 1.00 0.00 H new ATOM 606 N SER A 42 0.123 8.733 -7.237 1.00 0.00 N ATOM 607 CA SER A 42 0.353 9.891 -8.094 1.00 0.00 C ATOM 608 C SER A 42 1.385 10.828 -7.475 1.00 0.00 C ATOM 609 O SER A 42 1.215 11.301 -6.351 1.00 0.00 O ATOM 610 CB SER A 42 -0.958 10.643 -8.332 1.00 0.00 C ATOM 611 OG SER A 42 -0.723 11.886 -8.972 1.00 0.00 O ATOM 0 H SER A 42 -0.628 8.853 -6.558 1.00 0.00 H new ATOM 0 HA SER A 42 0.738 9.535 -9.049 1.00 0.00 H new ATOM 0 HB2 SER A 42 -1.624 10.035 -8.944 1.00 0.00 H new ATOM 0 HB3 SER A 42 -1.463 10.810 -7.381 1.00 0.00 H new ATOM 0 HG SER A 42 -1.576 12.347 -9.115 1.00 0.00 H new ATOM 617 N ASP A 43 2.456 11.090 -8.216 1.00 0.00 N ATOM 618 CA ASP A 43 3.517 11.971 -7.742 1.00 0.00 C ATOM 619 C ASP A 43 3.106 13.434 -7.869 1.00 0.00 C ATOM 620 O ASP A 43 3.255 14.041 -8.928 1.00 0.00 O ATOM 621 CB ASP A 43 4.806 11.720 -8.527 1.00 0.00 C ATOM 622 CG ASP A 43 4.717 12.212 -9.958 1.00 0.00 C ATOM 623 OD1 ASP A 43 3.628 12.096 -10.559 1.00 0.00 O ATOM 624 OD2 ASP A 43 5.735 12.714 -10.477 1.00 0.00 O ATOM 0 H ASP A 43 2.612 10.705 -9.147 1.00 0.00 H new ATOM 0 HA ASP A 43 3.694 11.752 -6.689 1.00 0.00 H new ATOM 0 HB2 ASP A 43 5.636 12.218 -8.026 1.00 0.00 H new ATOM 0 HB3 ASP A 43 5.027 10.653 -8.526 1.00 0.00 H new ATOM 629 N ASN A 44 2.586 13.994 -6.781 1.00 0.00 N ATOM 630 CA ASN A 44 2.151 15.386 -6.772 1.00 0.00 C ATOM 631 C ASN A 44 2.974 16.206 -5.783 1.00 0.00 C ATOM 632 O ASN A 44 2.833 16.058 -4.569 1.00 0.00 O ATOM 633 CB ASN A 44 0.666 15.475 -6.414 1.00 0.00 C ATOM 634 CG ASN A 44 0.377 14.974 -5.012 1.00 0.00 C ATOM 635 OD1 ASN A 44 0.515 15.712 -4.036 1.00 0.00 O ATOM 636 ND2 ASN A 44 -0.025 13.713 -4.906 1.00 0.00 N ATOM 0 H ASN A 44 2.456 13.505 -5.895 1.00 0.00 H new ATOM 0 HA ASN A 44 2.302 15.795 -7.771 1.00 0.00 H new ATOM 0 HB2 ASN A 44 0.335 16.510 -6.502 1.00 0.00 H new ATOM 0 HB3 ASN A 44 0.087 14.893 -7.131 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -0.233 13.320 -3.988 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -0.126 13.138 -5.742 1.00 0.00 H new ATOM 643 N GLY A 45 3.833 17.072 -6.311 1.00 0.00 N ATOM 644 CA GLY A 45 4.666 17.903 -5.462 1.00 0.00 C ATOM 645 C GLY A 45 6.145 17.634 -5.658 1.00 0.00 C ATOM 646 O GLY A 45 6.919 18.553 -5.926 1.00 0.00 O ATOM 0 H GLY A 45 3.967 17.213 -7.312 1.00 0.00 H new ATOM 0 HA2 GLY A 45 4.460 18.953 -5.672 1.00 0.00 H new ATOM 0 HA3 GLY A 45 4.403 17.729 -4.419 1.00 0.00 H new ATOM 650 N SER A 46 6.538 16.372 -5.523 1.00 0.00 N ATOM 651 CA SER A 46 7.936 15.986 -5.681 1.00 0.00 C ATOM 652 C SER A 46 8.074 14.469 -5.763 1.00 0.00 C ATOM 653 O SER A 46 7.432 13.733 -5.013 1.00 0.00 O ATOM 654 CB SER A 46 8.771 16.523 -4.518 1.00 0.00 C ATOM 655 OG SER A 46 10.124 16.700 -4.900 1.00 0.00 O ATOM 0 H SER A 46 5.909 15.599 -5.305 1.00 0.00 H new ATOM 0 HA SER A 46 8.303 16.418 -6.612 1.00 0.00 H new ATOM 0 HB2 SER A 46 8.359 17.473 -4.178 1.00 0.00 H new ATOM 0 HB3 SER A 46 8.715 15.832 -3.677 1.00 0.00 H new ATOM 0 HG SER A 46 10.636 17.046 -4.139 1.00 0.00 H new ATOM 661 N LYS A 47 8.917 14.007 -6.680 1.00 0.00 N ATOM 662 CA LYS A 47 9.143 12.578 -6.862 1.00 0.00 C ATOM 663 C LYS A 47 9.146 11.852 -5.520 1.00 0.00 C ATOM 664 O LYS A 47 9.794 12.289 -4.569 1.00 0.00 O ATOM 665 CB LYS A 47 10.470 12.338 -7.586 1.00 0.00 C ATOM 666 CG LYS A 47 10.887 10.878 -7.623 1.00 0.00 C ATOM 667 CD LYS A 47 11.702 10.563 -8.867 1.00 0.00 C ATOM 668 CE LYS A 47 13.152 10.993 -8.707 1.00 0.00 C ATOM 669 NZ LYS A 47 13.972 9.942 -8.042 1.00 0.00 N ATOM 0 H LYS A 47 9.456 14.602 -7.309 1.00 0.00 H new ATOM 0 HA LYS A 47 8.328 12.182 -7.468 1.00 0.00 H new ATOM 0 HB2 LYS A 47 10.390 12.710 -8.607 1.00 0.00 H new ATOM 0 HB3 LYS A 47 11.252 12.918 -7.096 1.00 0.00 H new ATOM 0 HG2 LYS A 47 11.472 10.643 -6.734 1.00 0.00 H new ATOM 0 HG3 LYS A 47 10.000 10.244 -7.597 1.00 0.00 H new ATOM 0 HD2 LYS A 47 11.659 9.493 -9.070 1.00 0.00 H new ATOM 0 HD3 LYS A 47 11.264 11.069 -9.728 1.00 0.00 H new ATOM 0 HE2 LYS A 47 13.574 11.218 -9.686 1.00 0.00 H new ATOM 0 HE3 LYS A 47 13.196 11.912 -8.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 14.954 10.273 -7.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 13.584 9.745 -7.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 13.951 9.073 -8.613 1.00 0.00 H new ATOM 683 N ILE A 48 8.418 10.743 -5.451 1.00 0.00 N ATOM 684 CA ILE A 48 8.339 9.956 -4.226 1.00 0.00 C ATOM 685 C ILE A 48 9.668 9.270 -3.927 1.00 0.00 C ATOM 686 O ILE A 48 10.017 8.273 -4.558 1.00 0.00 O ATOM 687 CB ILE A 48 7.231 8.890 -4.312 1.00 0.00 C ATOM 688 CG1 ILE A 48 5.852 9.549 -4.231 1.00 0.00 C ATOM 689 CG2 ILE A 48 7.399 7.862 -3.203 1.00 0.00 C ATOM 690 CD1 ILE A 48 4.732 8.670 -4.743 1.00 0.00 C ATOM 0 H ILE A 48 7.874 10.369 -6.229 1.00 0.00 H new ATOM 0 HA ILE A 48 8.102 10.650 -3.420 1.00 0.00 H new ATOM 0 HB ILE A 48 7.312 8.378 -5.271 1.00 0.00 H new ATOM 0 HG12 ILE A 48 5.647 9.818 -3.195 1.00 0.00 H new ATOM 0 HG13 ILE A 48 5.867 10.476 -4.804 1.00 0.00 H new ATOM 0 HG21 ILE A 48 6.609 7.115 -3.277 1.00 0.00 H new ATOM 0 HG22 ILE A 48 8.369 7.375 -3.302 1.00 0.00 H new ATOM 0 HG23 ILE A 48 7.340 8.359 -2.235 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.784 9.201 -4.656 1.00 0.00 H new ATOM 0 HD12 ILE A 48 4.914 8.421 -5.789 1.00 0.00 H new ATOM 0 HD13 ILE A 48 4.690 7.754 -4.154 1.00 0.00 H new ATOM 702 N GLN A 49 10.402 9.810 -2.960 1.00 0.00 N ATOM 703 CA GLN A 49 11.692 9.248 -2.577 1.00 0.00 C ATOM 704 C GLN A 49 11.647 7.723 -2.590 1.00 0.00 C ATOM 705 O GLN A 49 12.269 7.082 -3.436 1.00 0.00 O ATOM 706 CB GLN A 49 12.097 9.746 -1.189 1.00 0.00 C ATOM 707 CG GLN A 49 12.049 11.259 -1.047 1.00 0.00 C ATOM 708 CD GLN A 49 13.007 11.778 0.006 1.00 0.00 C ATOM 709 OE1 GLN A 49 14.178 12.035 -0.276 1.00 0.00 O ATOM 710 NE2 GLN A 49 12.515 11.934 1.230 1.00 0.00 N ATOM 0 H GLN A 49 10.126 10.635 -2.428 1.00 0.00 H new ATOM 0 HA GLN A 49 12.434 9.578 -3.304 1.00 0.00 H new ATOM 0 HB2 GLN A 49 11.438 9.299 -0.445 1.00 0.00 H new ATOM 0 HB3 GLN A 49 13.107 9.401 -0.969 1.00 0.00 H new ATOM 0 HG2 GLN A 49 12.287 11.718 -2.007 1.00 0.00 H new ATOM 0 HG3 GLN A 49 11.034 11.564 -0.791 1.00 0.00 H new ATOM 0 HE21 GLN A 49 11.538 11.709 1.420 1.00 0.00 H new ATOM 0 HE22 GLN A 49 13.114 12.279 1.980 1.00 0.00 H new ATOM 719 N ASN A 50 10.908 7.150 -1.646 1.00 0.00 N ATOM 720 CA ASN A 50 10.783 5.700 -1.548 1.00 0.00 C ATOM 721 C ASN A 50 9.477 5.312 -0.861 1.00 0.00 C ATOM 722 O ASN A 50 8.720 6.172 -0.411 1.00 0.00 O ATOM 723 CB ASN A 50 11.970 5.116 -0.780 1.00 0.00 C ATOM 724 CG ASN A 50 12.505 6.069 0.270 1.00 0.00 C ATOM 725 OD1 ASN A 50 13.712 6.294 0.364 1.00 0.00 O ATOM 726 ND2 ASN A 50 11.607 6.635 1.068 1.00 0.00 N ATOM 0 H ASN A 50 10.387 7.667 -0.938 1.00 0.00 H new ATOM 0 HA ASN A 50 10.776 5.291 -2.558 1.00 0.00 H new ATOM 0 HB2 ASN A 50 11.667 4.185 -0.301 1.00 0.00 H new ATOM 0 HB3 ASN A 50 12.767 4.868 -1.482 1.00 0.00 H new ATOM 0 HD21 ASN A 50 11.908 7.285 1.794 1.00 0.00 H new ATOM 0 HD22 ASN A 50 10.616 6.420 0.955 1.00 0.00 H new ATOM 733 N PHE A 51 9.220 4.010 -0.784 1.00 0.00 N ATOM 734 CA PHE A 51 8.006 3.507 -0.152 1.00 0.00 C ATOM 735 C PHE A 51 8.276 3.094 1.292 1.00 0.00 C ATOM 736 O PHE A 51 9.412 2.802 1.664 1.00 0.00 O ATOM 737 CB PHE A 51 7.451 2.319 -0.940 1.00 0.00 C ATOM 738 CG PHE A 51 6.803 2.709 -2.237 1.00 0.00 C ATOM 739 CD1 PHE A 51 5.700 3.547 -2.252 1.00 0.00 C ATOM 740 CD2 PHE A 51 7.298 2.239 -3.443 1.00 0.00 C ATOM 741 CE1 PHE A 51 5.102 3.908 -3.444 1.00 0.00 C ATOM 742 CE2 PHE A 51 6.705 2.596 -4.639 1.00 0.00 C ATOM 743 CZ PHE A 51 5.606 3.432 -4.640 1.00 0.00 C ATOM 0 H PHE A 51 9.836 3.285 -1.151 1.00 0.00 H new ATOM 0 HA PHE A 51 7.268 4.309 -0.149 1.00 0.00 H new ATOM 0 HB2 PHE A 51 8.261 1.619 -1.144 1.00 0.00 H new ATOM 0 HB3 PHE A 51 6.723 1.793 -0.323 1.00 0.00 H new ATOM 0 HD1 PHE A 51 5.303 3.923 -1.321 1.00 0.00 H new ATOM 0 HD2 PHE A 51 8.158 1.586 -3.448 1.00 0.00 H new ATOM 0 HE1 PHE A 51 4.242 4.561 -3.441 1.00 0.00 H new ATOM 0 HE2 PHE A 51 7.101 2.222 -5.572 1.00 0.00 H new ATOM 0 HZ PHE A 51 5.141 3.713 -5.573 1.00 0.00 H new ATOM 753 N VAL A 52 7.221 3.071 2.101 1.00 0.00 N ATOM 754 CA VAL A 52 7.343 2.693 3.504 1.00 0.00 C ATOM 755 C VAL A 52 6.300 1.647 3.884 1.00 0.00 C ATOM 756 O VAL A 52 5.116 1.956 4.019 1.00 0.00 O ATOM 757 CB VAL A 52 7.189 3.915 4.430 1.00 0.00 C ATOM 758 CG1 VAL A 52 7.330 3.502 5.887 1.00 0.00 C ATOM 759 CG2 VAL A 52 8.207 4.986 4.070 1.00 0.00 C ATOM 0 H VAL A 52 6.273 3.309 1.809 1.00 0.00 H new ATOM 0 HA VAL A 52 8.340 2.272 3.633 1.00 0.00 H new ATOM 0 HB VAL A 52 6.192 4.332 4.291 1.00 0.00 H new ATOM 0 HG11 VAL A 52 7.218 4.378 6.526 1.00 0.00 H new ATOM 0 HG12 VAL A 52 6.559 2.772 6.134 1.00 0.00 H new ATOM 0 HG13 VAL A 52 8.313 3.060 6.046 1.00 0.00 H new ATOM 0 HG21 VAL A 52 8.085 5.842 4.733 1.00 0.00 H new ATOM 0 HG22 VAL A 52 9.214 4.583 4.180 1.00 0.00 H new ATOM 0 HG23 VAL A 52 8.053 5.302 3.038 1.00 0.00 H new ATOM 769 N LEU A 53 6.748 0.409 4.056 1.00 0.00 N ATOM 770 CA LEU A 53 5.854 -0.684 4.421 1.00 0.00 C ATOM 771 C LEU A 53 5.947 -0.989 5.913 1.00 0.00 C ATOM 772 O LEU A 53 6.990 -0.784 6.533 1.00 0.00 O ATOM 773 CB LEU A 53 6.192 -1.938 3.611 1.00 0.00 C ATOM 774 CG LEU A 53 5.336 -3.172 3.897 1.00 0.00 C ATOM 775 CD1 LEU A 53 3.919 -2.970 3.383 1.00 0.00 C ATOM 776 CD2 LEU A 53 5.960 -4.411 3.272 1.00 0.00 C ATOM 0 H LEU A 53 7.725 0.137 3.949 1.00 0.00 H new ATOM 0 HA LEU A 53 4.833 -0.376 4.195 1.00 0.00 H new ATOM 0 HB2 LEU A 53 6.104 -1.697 2.552 1.00 0.00 H new ATOM 0 HB3 LEU A 53 7.236 -2.194 3.794 1.00 0.00 H new ATOM 0 HG LEU A 53 5.292 -3.317 4.976 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.325 -3.859 3.596 1.00 0.00 H new ATOM 0 HD12 LEU A 53 3.472 -2.108 3.878 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.943 -2.799 2.307 1.00 0.00 H new ATOM 0 HD21 LEU A 53 5.337 -5.279 3.486 1.00 0.00 H new ATOM 0 HD22 LEU A 53 6.036 -4.276 2.193 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.955 -4.567 3.689 1.00 0.00 H new ATOM 788 N GLU A 54 4.851 -1.480 6.481 1.00 0.00 N ATOM 789 CA GLU A 54 4.810 -1.814 7.900 1.00 0.00 C ATOM 790 C GLU A 54 3.921 -3.029 8.148 1.00 0.00 C ATOM 791 O GLU A 54 2.927 -3.236 7.452 1.00 0.00 O ATOM 792 CB GLU A 54 4.302 -0.622 8.713 1.00 0.00 C ATOM 793 CG GLU A 54 5.354 0.450 8.944 1.00 0.00 C ATOM 794 CD GLU A 54 4.754 1.770 9.389 1.00 0.00 C ATOM 795 OE1 GLU A 54 3.697 1.746 10.054 1.00 0.00 O ATOM 796 OE2 GLU A 54 5.340 2.825 9.071 1.00 0.00 O ATOM 0 H GLU A 54 3.980 -1.655 5.981 1.00 0.00 H new ATOM 0 HA GLU A 54 5.824 -2.056 8.219 1.00 0.00 H new ATOM 0 HB2 GLU A 54 3.450 -0.178 8.198 1.00 0.00 H new ATOM 0 HB3 GLU A 54 3.941 -0.978 9.678 1.00 0.00 H new ATOM 0 HG2 GLU A 54 6.061 0.104 9.698 1.00 0.00 H new ATOM 0 HG3 GLU A 54 5.919 0.604 8.025 1.00 0.00 H new ATOM 803 N TRP A 55 4.286 -3.829 9.143 1.00 0.00 N ATOM 804 CA TRP A 55 3.522 -5.024 9.483 1.00 0.00 C ATOM 805 C TRP A 55 3.654 -5.351 10.966 1.00 0.00 C ATOM 806 O TRP A 55 4.677 -5.060 11.587 1.00 0.00 O ATOM 807 CB TRP A 55 3.994 -6.212 8.643 1.00 0.00 C ATOM 808 CG TRP A 55 5.256 -6.837 9.154 1.00 0.00 C ATOM 809 CD1 TRP A 55 6.373 -6.187 9.595 1.00 0.00 C ATOM 810 CD2 TRP A 55 5.530 -8.237 9.276 1.00 0.00 C ATOM 811 NE1 TRP A 55 7.325 -7.099 9.983 1.00 0.00 N ATOM 812 CE2 TRP A 55 6.832 -8.363 9.798 1.00 0.00 C ATOM 813 CE3 TRP A 55 4.802 -9.397 8.996 1.00 0.00 C ATOM 814 CZ2 TRP A 55 7.419 -9.602 10.044 1.00 0.00 C ATOM 815 CZ3 TRP A 55 5.386 -10.625 9.240 1.00 0.00 C ATOM 816 CH2 TRP A 55 6.684 -10.720 9.761 1.00 0.00 C ATOM 0 H TRP A 55 5.106 -3.672 9.729 1.00 0.00 H new ATOM 0 HA TRP A 55 2.472 -4.828 9.265 1.00 0.00 H new ATOM 0 HB2 TRP A 55 3.207 -6.966 8.619 1.00 0.00 H new ATOM 0 HB3 TRP A 55 4.150 -5.882 7.616 1.00 0.00 H new ATOM 0 HD1 TRP A 55 6.491 -5.114 9.633 1.00 0.00 H new ATOM 0 HE1 TRP A 55 8.249 -6.871 10.349 1.00 0.00 H new ATOM 0 HE3 TRP A 55 3.801 -9.334 8.596 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 8.419 -9.677 10.444 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 4.833 -11.528 9.026 1.00 0.00 H new ATOM 0 HH2 TRP A 55 7.112 -11.695 9.942 1.00 0.00 H new ATOM 827 N ASP A 56 2.614 -5.956 11.529 1.00 0.00 N ATOM 828 CA ASP A 56 2.615 -6.323 12.940 1.00 0.00 C ATOM 829 C ASP A 56 3.269 -7.686 13.147 1.00 0.00 C ATOM 830 O ASP A 56 2.861 -8.455 14.017 1.00 0.00 O ATOM 831 CB ASP A 56 1.186 -6.342 13.485 1.00 0.00 C ATOM 832 CG ASP A 56 0.167 -6.713 12.426 1.00 0.00 C ATOM 833 OD1 ASP A 56 0.058 -7.915 12.102 1.00 0.00 O ATOM 834 OD2 ASP A 56 -0.522 -5.803 11.921 1.00 0.00 O ATOM 0 H ASP A 56 1.759 -6.203 11.030 1.00 0.00 H new ATOM 0 HA ASP A 56 3.193 -5.576 13.484 1.00 0.00 H new ATOM 0 HB2 ASP A 56 1.124 -7.053 14.309 1.00 0.00 H new ATOM 0 HB3 ASP A 56 0.942 -5.360 13.891 1.00 0.00 H new ATOM 839 N GLU A 57 4.284 -7.978 12.340 1.00 0.00 N ATOM 840 CA GLU A 57 4.992 -9.249 12.434 1.00 0.00 C ATOM 841 C GLU A 57 4.025 -10.390 12.733 1.00 0.00 C ATOM 842 O GLU A 57 4.369 -11.343 13.432 1.00 0.00 O ATOM 843 CB GLU A 57 6.069 -9.180 13.519 1.00 0.00 C ATOM 844 CG GLU A 57 7.240 -8.281 13.158 1.00 0.00 C ATOM 845 CD GLU A 57 8.391 -8.402 14.138 1.00 0.00 C ATOM 846 OE1 GLU A 57 9.024 -9.477 14.181 1.00 0.00 O ATOM 847 OE2 GLU A 57 8.658 -7.420 14.862 1.00 0.00 O ATOM 0 H GLU A 57 4.634 -7.352 11.615 1.00 0.00 H new ATOM 0 HA GLU A 57 5.468 -9.442 11.472 1.00 0.00 H new ATOM 0 HB2 GLU A 57 5.618 -8.821 14.444 1.00 0.00 H new ATOM 0 HB3 GLU A 57 6.441 -10.186 13.715 1.00 0.00 H new ATOM 0 HG2 GLU A 57 7.592 -8.532 12.157 1.00 0.00 H new ATOM 0 HG3 GLU A 57 6.902 -7.245 13.126 1.00 0.00 H new ATOM 854 N GLY A 58 2.812 -10.286 12.199 1.00 0.00 N ATOM 855 CA GLY A 58 1.812 -11.314 12.421 1.00 0.00 C ATOM 856 C GLY A 58 1.765 -11.775 13.865 1.00 0.00 C ATOM 857 O GLY A 58 1.803 -12.973 14.144 1.00 0.00 O ATOM 0 H GLY A 58 2.504 -9.508 11.616 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.833 -10.932 12.133 1.00 0.00 H new ATOM 0 HA3 GLY A 58 2.024 -12.168 11.777 1.00 0.00 H new ATOM 861 N LYS A 59 1.683 -10.821 14.786 1.00 0.00 N ATOM 862 CA LYS A 59 1.630 -11.133 16.209 1.00 0.00 C ATOM 863 C LYS A 59 0.195 -11.091 16.723 1.00 0.00 C ATOM 864 O LYS A 59 -0.244 -11.986 17.443 1.00 0.00 O ATOM 865 CB LYS A 59 2.496 -10.150 17.000 1.00 0.00 C ATOM 866 CG LYS A 59 3.970 -10.208 16.636 1.00 0.00 C ATOM 867 CD LYS A 59 4.822 -9.445 17.636 1.00 0.00 C ATOM 868 CE LYS A 59 6.304 -9.721 17.431 1.00 0.00 C ATOM 869 NZ LYS A 59 7.152 -8.627 17.979 1.00 0.00 N ATOM 0 H LYS A 59 1.652 -9.824 14.572 1.00 0.00 H new ATOM 0 HA LYS A 59 2.017 -12.142 16.349 1.00 0.00 H new ATOM 0 HB2 LYS A 59 2.128 -9.138 16.831 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.385 -10.356 18.065 1.00 0.00 H new ATOM 0 HG2 LYS A 59 4.296 -11.248 16.598 1.00 0.00 H new ATOM 0 HG3 LYS A 59 4.116 -9.791 15.639 1.00 0.00 H new ATOM 0 HD2 LYS A 59 4.633 -8.376 17.536 1.00 0.00 H new ATOM 0 HD3 LYS A 59 4.535 -9.726 18.649 1.00 0.00 H new ATOM 0 HE2 LYS A 59 6.568 -10.662 17.913 1.00 0.00 H new ATOM 0 HE3 LYS A 59 6.508 -9.840 16.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 8.155 -8.852 17.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 6.918 -7.734 17.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 6.977 -8.530 19.000 1.00 0.00 H new ATOM 883 N GLY A 60 -0.533 -10.043 16.347 1.00 0.00 N ATOM 884 CA GLY A 60 -1.911 -9.904 16.778 1.00 0.00 C ATOM 885 C GLY A 60 -2.048 -9.032 18.010 1.00 0.00 C ATOM 886 O GLY A 60 -2.822 -9.341 18.915 1.00 0.00 O ATOM 0 H GLY A 60 -0.192 -9.288 15.752 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -2.501 -9.477 15.967 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -2.324 -10.891 16.987 1.00 0.00 H new ATOM 890 N ASN A 61 -1.293 -7.939 18.046 1.00 0.00 N ATOM 891 CA ASN A 61 -1.332 -7.020 19.178 1.00 0.00 C ATOM 892 C ASN A 61 -1.850 -5.650 18.749 1.00 0.00 C ATOM 893 O ASN A 61 -2.648 -5.029 19.450 1.00 0.00 O ATOM 894 CB ASN A 61 0.061 -6.880 19.796 1.00 0.00 C ATOM 895 CG ASN A 61 0.964 -5.971 18.986 1.00 0.00 C ATOM 896 OD1 ASN A 61 0.841 -4.747 19.039 1.00 0.00 O ATOM 897 ND2 ASN A 61 1.879 -6.567 18.230 1.00 0.00 N ATOM 0 H ASN A 61 -0.647 -7.668 17.305 1.00 0.00 H new ATOM 0 HA ASN A 61 -2.014 -7.430 19.923 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -0.032 -6.487 20.809 1.00 0.00 H new ATOM 0 HB3 ASN A 61 0.520 -7.865 19.877 1.00 0.00 H new ATOM 0 HD21 ASN A 61 2.515 -6.007 17.663 1.00 0.00 H new ATOM 0 HD22 ASN A 61 1.945 -7.585 18.217 1.00 0.00 H new ATOM 904 N GLY A 62 -1.390 -5.185 17.591 1.00 0.00 N ATOM 905 CA GLY A 62 -1.818 -3.893 17.088 1.00 0.00 C ATOM 906 C GLY A 62 -0.677 -2.899 16.999 1.00 0.00 C ATOM 907 O GLY A 62 -0.877 -1.699 17.181 1.00 0.00 O ATOM 0 H GLY A 62 -0.729 -5.680 16.993 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -2.263 -4.020 16.101 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -2.595 -3.492 17.739 1.00 0.00 H new ATOM 911 N GLU A 63 0.522 -3.400 16.720 1.00 0.00 N ATOM 912 CA GLU A 63 1.699 -2.547 16.611 1.00 0.00 C ATOM 913 C GLU A 63 2.390 -2.742 15.264 1.00 0.00 C ATOM 914 O GLU A 63 3.014 -3.775 15.018 1.00 0.00 O ATOM 915 CB GLU A 63 2.680 -2.844 17.747 1.00 0.00 C ATOM 916 CG GLU A 63 2.384 -2.074 19.023 1.00 0.00 C ATOM 917 CD GLU A 63 3.517 -2.153 20.028 1.00 0.00 C ATOM 918 OE1 GLU A 63 4.688 -2.024 19.612 1.00 0.00 O ATOM 919 OE2 GLU A 63 3.234 -2.344 21.229 1.00 0.00 O ATOM 0 H GLU A 63 0.704 -4.392 16.565 1.00 0.00 H new ATOM 0 HA GLU A 63 1.372 -1.510 16.686 1.00 0.00 H new ATOM 0 HB2 GLU A 63 2.659 -3.912 17.964 1.00 0.00 H new ATOM 0 HB3 GLU A 63 3.690 -2.606 17.415 1.00 0.00 H new ATOM 0 HG2 GLU A 63 2.194 -1.029 18.777 1.00 0.00 H new ATOM 0 HG3 GLU A 63 1.473 -2.465 19.476 1.00 0.00 H new ATOM 926 N PHE A 64 2.272 -1.744 14.395 1.00 0.00 N ATOM 927 CA PHE A 64 2.883 -1.806 13.072 1.00 0.00 C ATOM 928 C PHE A 64 4.295 -1.230 13.097 1.00 0.00 C ATOM 929 O PHE A 64 4.519 -0.131 13.606 1.00 0.00 O ATOM 930 CB PHE A 64 2.028 -1.046 12.056 1.00 0.00 C ATOM 931 CG PHE A 64 0.790 -1.788 11.639 1.00 0.00 C ATOM 932 CD1 PHE A 64 -0.261 -1.962 12.526 1.00 0.00 C ATOM 933 CD2 PHE A 64 0.677 -2.311 10.361 1.00 0.00 C ATOM 934 CE1 PHE A 64 -1.400 -2.645 12.145 1.00 0.00 C ATOM 935 CE2 PHE A 64 -0.461 -2.995 9.975 1.00 0.00 C ATOM 936 CZ PHE A 64 -1.501 -3.161 10.868 1.00 0.00 C ATOM 0 H PHE A 64 1.759 -0.883 14.583 1.00 0.00 H new ATOM 0 HA PHE A 64 2.942 -2.853 12.776 1.00 0.00 H new ATOM 0 HB2 PHE A 64 1.740 -0.085 12.482 1.00 0.00 H new ATOM 0 HB3 PHE A 64 2.630 -0.835 11.172 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -0.189 -1.559 13.526 1.00 0.00 H new ATOM 0 HD2 PHE A 64 1.487 -2.183 9.658 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -2.211 -2.775 12.846 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -0.536 -3.399 8.976 1.00 0.00 H new ATOM 0 HZ PHE A 64 -2.392 -3.693 10.568 1.00 0.00 H new ATOM 946 N CYS A 65 5.243 -1.979 12.547 1.00 0.00 N ATOM 947 CA CYS A 65 6.635 -1.544 12.507 1.00 0.00 C ATOM 948 C CYS A 65 7.172 -1.570 11.080 1.00 0.00 C ATOM 949 O CYS A 65 6.751 -2.388 10.263 1.00 0.00 O ATOM 950 CB CYS A 65 7.495 -2.435 13.404 1.00 0.00 C ATOM 951 SG CYS A 65 7.386 -2.035 15.164 1.00 0.00 S ATOM 0 H CYS A 65 5.074 -2.891 12.122 1.00 0.00 H new ATOM 0 HA CYS A 65 6.680 -0.519 12.874 1.00 0.00 H new ATOM 0 HB2 CYS A 65 7.197 -3.473 13.259 1.00 0.00 H new ATOM 0 HB3 CYS A 65 8.535 -2.355 13.088 1.00 0.00 H new ATOM 0 HG CYS A 65 8.146 -2.844 15.841 1.00 0.00 H new ATOM 957 N GLN A 66 8.103 -0.667 10.787 1.00 0.00 N ATOM 958 CA GLN A 66 8.695 -0.585 9.457 1.00 0.00 C ATOM 959 C GLN A 66 9.263 -1.934 9.030 1.00 0.00 C ATOM 960 O GLN A 66 10.248 -2.412 9.595 1.00 0.00 O ATOM 961 CB GLN A 66 9.797 0.476 9.431 1.00 0.00 C ATOM 962 CG GLN A 66 10.020 1.088 8.058 1.00 0.00 C ATOM 963 CD GLN A 66 10.933 2.298 8.099 1.00 0.00 C ATOM 964 OE1 GLN A 66 10.638 3.290 8.766 1.00 0.00 O ATOM 965 NE2 GLN A 66 12.049 2.222 7.384 1.00 0.00 N ATOM 0 H GLN A 66 8.463 0.017 11.452 1.00 0.00 H new ATOM 0 HA GLN A 66 7.911 -0.302 8.755 1.00 0.00 H new ATOM 0 HB2 GLN A 66 9.544 1.268 10.136 1.00 0.00 H new ATOM 0 HB3 GLN A 66 10.729 0.028 9.776 1.00 0.00 H new ATOM 0 HG2 GLN A 66 10.449 0.337 7.395 1.00 0.00 H new ATOM 0 HG3 GLN A 66 9.059 1.377 7.633 1.00 0.00 H new ATOM 0 HE21 GLN A 66 12.254 1.380 6.846 1.00 0.00 H new ATOM 0 HE22 GLN A 66 12.702 3.006 7.373 1.00 0.00 H new ATOM 974 N CYS A 67 8.635 -2.544 8.030 1.00 0.00 N ATOM 975 CA CYS A 67 9.077 -3.840 7.528 1.00 0.00 C ATOM 976 C CYS A 67 10.064 -3.670 6.377 1.00 0.00 C ATOM 977 O CYS A 67 11.154 -4.242 6.391 1.00 0.00 O ATOM 978 CB CYS A 67 7.877 -4.669 7.068 1.00 0.00 C ATOM 979 SG CYS A 67 8.140 -6.456 7.143 1.00 0.00 S ATOM 0 H CYS A 67 7.819 -2.162 7.552 1.00 0.00 H new ATOM 0 HA CYS A 67 9.581 -4.363 8.341 1.00 0.00 H new ATOM 0 HB2 CYS A 67 7.015 -4.414 7.684 1.00 0.00 H new ATOM 0 HB3 CYS A 67 7.629 -4.392 6.043 1.00 0.00 H new ATOM 0 HG CYS A 67 7.509 -6.945 8.169 1.00 0.00 H new ATOM 985 N TYR A 68 9.673 -2.881 5.382 1.00 0.00 N ATOM 986 CA TYR A 68 10.521 -2.639 4.221 1.00 0.00 C ATOM 987 C TYR A 68 10.368 -1.204 3.725 1.00 0.00 C ATOM 988 O TYR A 68 9.258 -0.679 3.645 1.00 0.00 O ATOM 989 CB TYR A 68 10.177 -3.619 3.098 1.00 0.00 C ATOM 990 CG TYR A 68 10.972 -3.392 1.832 1.00 0.00 C ATOM 991 CD1 TYR A 68 12.212 -3.994 1.651 1.00 0.00 C ATOM 992 CD2 TYR A 68 10.485 -2.577 0.819 1.00 0.00 C ATOM 993 CE1 TYR A 68 12.942 -3.789 0.496 1.00 0.00 C ATOM 994 CE2 TYR A 68 11.208 -2.368 -0.340 1.00 0.00 C ATOM 995 CZ TYR A 68 12.436 -2.976 -0.496 1.00 0.00 C ATOM 996 OH TYR A 68 13.160 -2.770 -1.648 1.00 0.00 O ATOM 0 H TYR A 68 8.775 -2.399 5.356 1.00 0.00 H new ATOM 0 HA TYR A 68 11.558 -2.792 4.521 1.00 0.00 H new ATOM 0 HB2 TYR A 68 10.351 -4.636 3.449 1.00 0.00 H new ATOM 0 HB3 TYR A 68 9.114 -3.538 2.869 1.00 0.00 H new ATOM 0 HD1 TYR A 68 12.611 -4.632 2.426 1.00 0.00 H new ATOM 0 HD2 TYR A 68 9.524 -2.098 0.939 1.00 0.00 H new ATOM 0 HE1 TYR A 68 13.904 -4.263 0.371 1.00 0.00 H new ATOM 0 HE2 TYR A 68 10.814 -1.732 -1.119 1.00 0.00 H new ATOM 0 HH TYR A 68 14.085 -3.061 -1.509 1.00 0.00 H new ATOM 1006 N MET A 69 11.491 -0.577 3.391 1.00 0.00 N ATOM 1007 CA MET A 69 11.482 0.796 2.900 1.00 0.00 C ATOM 1008 C MET A 69 12.429 0.955 1.715 1.00 0.00 C ATOM 1009 O MET A 69 13.648 0.911 1.871 1.00 0.00 O ATOM 1010 CB MET A 69 11.879 1.762 4.018 1.00 0.00 C ATOM 1011 CG MET A 69 11.975 3.210 3.564 1.00 0.00 C ATOM 1012 SD MET A 69 11.837 4.377 4.931 1.00 0.00 S ATOM 1013 CE MET A 69 12.308 5.904 4.122 1.00 0.00 C ATOM 0 H MET A 69 12.418 -0.998 3.451 1.00 0.00 H new ATOM 0 HA MET A 69 10.471 1.031 2.569 1.00 0.00 H new ATOM 0 HB2 MET A 69 11.150 1.690 4.825 1.00 0.00 H new ATOM 0 HB3 MET A 69 12.840 1.454 4.429 1.00 0.00 H new ATOM 0 HG2 MET A 69 12.926 3.365 3.054 1.00 0.00 H new ATOM 0 HG3 MET A 69 11.187 3.412 2.838 1.00 0.00 H new ATOM 0 HE1 MET A 69 12.859 6.532 4.822 1.00 0.00 H new ATOM 0 HE2 MET A 69 12.939 5.680 3.261 1.00 0.00 H new ATOM 0 HE3 MET A 69 11.413 6.430 3.789 1.00 0.00 H new ATOM 1023 N GLY A 70 11.859 1.141 0.528 1.00 0.00 N ATOM 1024 CA GLY A 70 12.667 1.304 -0.666 1.00 0.00 C ATOM 1025 C GLY A 70 11.828 1.549 -1.905 1.00 0.00 C ATOM 1026 O GLY A 70 10.599 1.539 -1.842 1.00 0.00 O ATOM 0 H GLY A 70 10.852 1.182 0.372 1.00 0.00 H new ATOM 0 HA2 GLY A 70 13.354 2.139 -0.525 1.00 0.00 H new ATOM 0 HA3 GLY A 70 13.276 0.412 -0.814 1.00 0.00 H new ATOM 1030 N SER A 71 12.494 1.772 -3.034 1.00 0.00 N ATOM 1031 CA SER A 71 11.802 2.027 -4.292 1.00 0.00 C ATOM 1032 C SER A 71 11.055 0.782 -4.762 1.00 0.00 C ATOM 1033 O SER A 71 9.872 0.844 -5.094 1.00 0.00 O ATOM 1034 CB SER A 71 12.796 2.475 -5.364 1.00 0.00 C ATOM 1035 OG SER A 71 12.131 3.098 -6.448 1.00 0.00 O ATOM 0 H SER A 71 13.512 1.781 -3.103 1.00 0.00 H new ATOM 0 HA SER A 71 11.077 2.823 -4.125 1.00 0.00 H new ATOM 0 HB2 SER A 71 13.517 3.167 -4.929 1.00 0.00 H new ATOM 0 HB3 SER A 71 13.359 1.614 -5.725 1.00 0.00 H new ATOM 0 HG SER A 71 12.789 3.377 -7.119 1.00 0.00 H new ATOM 1041 N GLN A 72 11.756 -0.347 -4.788 1.00 0.00 N ATOM 1042 CA GLN A 72 11.161 -1.606 -5.219 1.00 0.00 C ATOM 1043 C GLN A 72 9.712 -1.709 -4.756 1.00 0.00 C ATOM 1044 O GLN A 72 9.379 -1.332 -3.631 1.00 0.00 O ATOM 1045 CB GLN A 72 11.967 -2.787 -4.677 1.00 0.00 C ATOM 1046 CG GLN A 72 13.377 -2.871 -5.240 1.00 0.00 C ATOM 1047 CD GLN A 72 14.356 -3.502 -4.271 1.00 0.00 C ATOM 1048 OE1 GLN A 72 15.344 -2.882 -3.875 1.00 0.00 O ATOM 1049 NE2 GLN A 72 14.088 -4.743 -3.881 1.00 0.00 N ATOM 0 H GLN A 72 12.737 -0.415 -4.516 1.00 0.00 H new ATOM 0 HA GLN A 72 11.178 -1.633 -6.309 1.00 0.00 H new ATOM 0 HB2 GLN A 72 12.022 -2.711 -3.591 1.00 0.00 H new ATOM 0 HB3 GLN A 72 11.438 -3.712 -4.905 1.00 0.00 H new ATOM 0 HG2 GLN A 72 13.361 -3.450 -6.163 1.00 0.00 H new ATOM 0 HG3 GLN A 72 13.721 -1.869 -5.498 1.00 0.00 H new ATOM 0 HE21 GLN A 72 13.258 -5.220 -4.233 1.00 0.00 H new ATOM 0 HE22 GLN A 72 14.712 -5.219 -3.229 1.00 0.00 H new ATOM 1058 N LYS A 73 8.852 -2.222 -5.629 1.00 0.00 N ATOM 1059 CA LYS A 73 7.437 -2.376 -5.310 1.00 0.00 C ATOM 1060 C LYS A 73 7.090 -3.842 -5.071 1.00 0.00 C ATOM 1061 O LYS A 73 5.956 -4.265 -5.293 1.00 0.00 O ATOM 1062 CB LYS A 73 6.574 -1.816 -6.442 1.00 0.00 C ATOM 1063 CG LYS A 73 6.815 -0.342 -6.718 1.00 0.00 C ATOM 1064 CD LYS A 73 6.531 0.008 -8.169 1.00 0.00 C ATOM 1065 CE LYS A 73 5.040 -0.018 -8.468 1.00 0.00 C ATOM 1066 NZ LYS A 73 4.769 -0.128 -9.928 1.00 0.00 N ATOM 0 H LYS A 73 9.110 -2.538 -6.564 1.00 0.00 H new ATOM 0 HA LYS A 73 7.234 -1.818 -4.396 1.00 0.00 H new ATOM 0 HB2 LYS A 73 6.769 -2.384 -7.352 1.00 0.00 H new ATOM 0 HB3 LYS A 73 5.523 -1.963 -6.193 1.00 0.00 H new ATOM 0 HG2 LYS A 73 6.180 0.259 -6.067 1.00 0.00 H new ATOM 0 HG3 LYS A 73 7.848 -0.090 -6.478 1.00 0.00 H new ATOM 0 HD2 LYS A 73 6.930 0.998 -8.390 1.00 0.00 H new ATOM 0 HD3 LYS A 73 7.046 -0.697 -8.822 1.00 0.00 H new ATOM 0 HE2 LYS A 73 4.580 -0.859 -7.949 1.00 0.00 H new ATOM 0 HE3 LYS A 73 4.576 0.889 -8.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 3.742 -0.143 -10.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 5.186 0.687 -10.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 5.190 -1.006 -10.294 1.00 0.00 H new ATOM 1080 N GLN A 74 8.074 -4.612 -4.615 1.00 0.00 N ATOM 1081 CA GLN A 74 7.871 -6.030 -4.344 1.00 0.00 C ATOM 1082 C GLN A 74 8.760 -6.499 -3.198 1.00 0.00 C ATOM 1083 O GLN A 74 9.977 -6.311 -3.226 1.00 0.00 O ATOM 1084 CB GLN A 74 8.158 -6.856 -5.599 1.00 0.00 C ATOM 1085 CG GLN A 74 8.263 -8.349 -5.334 1.00 0.00 C ATOM 1086 CD GLN A 74 6.912 -8.996 -5.096 1.00 0.00 C ATOM 1087 OE1 GLN A 74 6.284 -8.784 -4.059 1.00 0.00 O ATOM 1088 NE2 GLN A 74 6.459 -9.790 -6.059 1.00 0.00 N ATOM 0 H GLN A 74 9.019 -4.277 -4.426 1.00 0.00 H new ATOM 0 HA GLN A 74 6.830 -6.173 -4.053 1.00 0.00 H new ATOM 0 HB2 GLN A 74 7.368 -6.680 -6.328 1.00 0.00 H new ATOM 0 HB3 GLN A 74 9.089 -6.509 -6.047 1.00 0.00 H new ATOM 0 HG2 GLN A 74 8.748 -8.832 -6.182 1.00 0.00 H new ATOM 0 HG3 GLN A 74 8.900 -8.516 -4.465 1.00 0.00 H new ATOM 0 HE21 GLN A 74 7.014 -9.937 -6.902 1.00 0.00 H new ATOM 0 HE22 GLN A 74 5.556 -10.253 -5.956 1.00 0.00 H new ATOM 1097 N PHE A 75 8.146 -7.108 -2.189 1.00 0.00 N ATOM 1098 CA PHE A 75 8.882 -7.602 -1.032 1.00 0.00 C ATOM 1099 C PHE A 75 8.314 -8.935 -0.554 1.00 0.00 C ATOM 1100 O PHE A 75 7.130 -9.040 -0.236 1.00 0.00 O ATOM 1101 CB PHE A 75 8.835 -6.579 0.104 1.00 0.00 C ATOM 1102 CG PHE A 75 9.432 -7.080 1.388 1.00 0.00 C ATOM 1103 CD1 PHE A 75 10.701 -7.636 1.407 1.00 0.00 C ATOM 1104 CD2 PHE A 75 8.725 -6.995 2.577 1.00 0.00 C ATOM 1105 CE1 PHE A 75 11.253 -8.098 2.587 1.00 0.00 C ATOM 1106 CE2 PHE A 75 9.271 -7.456 3.760 1.00 0.00 C ATOM 1107 CZ PHE A 75 10.537 -8.007 3.765 1.00 0.00 C ATOM 0 H PHE A 75 7.140 -7.271 -2.150 1.00 0.00 H new ATOM 0 HA PHE A 75 9.919 -7.755 -1.331 1.00 0.00 H new ATOM 0 HB2 PHE A 75 9.365 -5.679 -0.207 1.00 0.00 H new ATOM 0 HB3 PHE A 75 7.798 -6.293 0.282 1.00 0.00 H new ATOM 0 HD1 PHE A 75 11.265 -7.709 0.489 1.00 0.00 H new ATOM 0 HD2 PHE A 75 7.735 -6.563 2.579 1.00 0.00 H new ATOM 0 HE1 PHE A 75 12.243 -8.530 2.588 1.00 0.00 H new ATOM 0 HE2 PHE A 75 8.708 -7.385 4.679 1.00 0.00 H new ATOM 0 HZ PHE A 75 10.967 -8.366 4.688 1.00 0.00 H new ATOM 1117 N LYS A 76 9.167 -9.953 -0.508 1.00 0.00 N ATOM 1118 CA LYS A 76 8.753 -11.280 -0.070 1.00 0.00 C ATOM 1119 C LYS A 76 9.249 -11.565 1.344 1.00 0.00 C ATOM 1120 O LYS A 76 10.446 -11.749 1.567 1.00 0.00 O ATOM 1121 CB LYS A 76 9.282 -12.346 -1.032 1.00 0.00 C ATOM 1122 CG LYS A 76 8.781 -13.746 -0.724 1.00 0.00 C ATOM 1123 CD LYS A 76 9.671 -14.807 -1.349 1.00 0.00 C ATOM 1124 CE LYS A 76 8.894 -16.081 -1.648 1.00 0.00 C ATOM 1125 NZ LYS A 76 8.246 -16.033 -2.988 1.00 0.00 N ATOM 0 H LYS A 76 10.151 -9.884 -0.769 1.00 0.00 H new ATOM 0 HA LYS A 76 7.663 -11.311 -0.068 1.00 0.00 H new ATOM 0 HB2 LYS A 76 8.993 -12.081 -2.049 1.00 0.00 H new ATOM 0 HB3 LYS A 76 10.372 -12.344 -1.000 1.00 0.00 H new ATOM 0 HG2 LYS A 76 8.744 -13.891 0.356 1.00 0.00 H new ATOM 0 HG3 LYS A 76 7.763 -13.859 -1.096 1.00 0.00 H new ATOM 0 HD2 LYS A 76 10.107 -14.421 -2.270 1.00 0.00 H new ATOM 0 HD3 LYS A 76 10.497 -15.033 -0.675 1.00 0.00 H new ATOM 0 HE2 LYS A 76 9.567 -16.937 -1.601 1.00 0.00 H new ATOM 0 HE3 LYS A 76 8.133 -16.231 -0.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 7.902 -16.981 -3.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 7.446 -15.369 -2.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 8.938 -15.715 -3.697 1.00 0.00 H new ATOM 1139 N ILE A 77 8.322 -11.602 2.295 1.00 0.00 N ATOM 1140 CA ILE A 77 8.666 -11.868 3.687 1.00 0.00 C ATOM 1141 C ILE A 77 8.809 -13.364 3.942 1.00 0.00 C ATOM 1142 O ILE A 77 7.841 -14.119 3.838 1.00 0.00 O ATOM 1143 CB ILE A 77 7.608 -11.294 4.648 1.00 0.00 C ATOM 1144 CG1 ILE A 77 7.555 -9.769 4.530 1.00 0.00 C ATOM 1145 CG2 ILE A 77 7.911 -11.710 6.079 1.00 0.00 C ATOM 1146 CD1 ILE A 77 6.199 -9.185 4.860 1.00 0.00 C ATOM 0 H ILE A 77 7.327 -11.451 2.128 1.00 0.00 H new ATOM 0 HA ILE A 77 9.621 -11.377 3.875 1.00 0.00 H new ATOM 0 HB ILE A 77 6.633 -11.695 4.373 1.00 0.00 H new ATOM 0 HG12 ILE A 77 8.301 -9.335 5.196 1.00 0.00 H new ATOM 0 HG13 ILE A 77 7.828 -9.481 3.515 1.00 0.00 H new ATOM 0 HG21 ILE A 77 7.155 -11.297 6.746 1.00 0.00 H new ATOM 0 HG22 ILE A 77 7.903 -12.798 6.151 1.00 0.00 H new ATOM 0 HG23 ILE A 77 8.893 -11.334 6.367 1.00 0.00 H new ATOM 0 HD11 ILE A 77 6.235 -8.101 4.756 1.00 0.00 H new ATOM 0 HD12 ILE A 77 5.452 -9.591 4.178 1.00 0.00 H new ATOM 0 HD13 ILE A 77 5.932 -9.442 5.885 1.00 0.00 H new ATOM 1158 N THR A 78 10.023 -13.789 4.278 1.00 0.00 N ATOM 1159 CA THR A 78 10.294 -15.195 4.549 1.00 0.00 C ATOM 1160 C THR A 78 10.422 -15.452 6.046 1.00 0.00 C ATOM 1161 O THR A 78 10.254 -14.543 6.859 1.00 0.00 O ATOM 1162 CB THR A 78 11.582 -15.664 3.847 1.00 0.00 C ATOM 1163 OG1 THR A 78 12.644 -14.738 4.103 1.00 0.00 O ATOM 1164 CG2 THR A 78 11.365 -15.793 2.347 1.00 0.00 C ATOM 0 H THR A 78 10.835 -13.178 4.369 1.00 0.00 H new ATOM 0 HA THR A 78 9.449 -15.761 4.157 1.00 0.00 H new ATOM 0 HB THR A 78 11.850 -16.643 4.244 1.00 0.00 H new ATOM 0 HG1 THR A 78 13.460 -15.044 3.655 1.00 0.00 H new ATOM 0 HG21 THR A 78 12.289 -16.125 1.873 1.00 0.00 H new ATOM 0 HG22 THR A 78 10.576 -16.520 2.155 1.00 0.00 H new ATOM 0 HG23 THR A 78 11.075 -14.826 1.937 1.00 0.00 H new ATOM 1172 N LYS A 79 10.720 -16.696 6.405 1.00 0.00 N ATOM 1173 CA LYS A 79 10.872 -17.073 7.805 1.00 0.00 C ATOM 1174 C LYS A 79 9.571 -16.858 8.571 1.00 0.00 C ATOM 1175 O LYS A 79 9.565 -16.258 9.647 1.00 0.00 O ATOM 1176 CB LYS A 79 11.998 -16.264 8.453 1.00 0.00 C ATOM 1177 CG LYS A 79 13.388 -16.749 8.080 1.00 0.00 C ATOM 1178 CD LYS A 79 14.392 -16.472 9.187 1.00 0.00 C ATOM 1179 CE LYS A 79 14.862 -15.026 9.163 1.00 0.00 C ATOM 1180 NZ LYS A 79 13.932 -14.128 9.904 1.00 0.00 N ATOM 0 H LYS A 79 10.861 -17.461 5.745 1.00 0.00 H new ATOM 0 HA LYS A 79 11.125 -18.132 7.845 1.00 0.00 H new ATOM 0 HB2 LYS A 79 11.897 -15.219 8.162 1.00 0.00 H new ATOM 0 HB3 LYS A 79 11.887 -16.305 9.537 1.00 0.00 H new ATOM 0 HG2 LYS A 79 13.358 -17.819 7.875 1.00 0.00 H new ATOM 0 HG3 LYS A 79 13.712 -16.257 7.163 1.00 0.00 H new ATOM 0 HD2 LYS A 79 13.940 -16.693 10.154 1.00 0.00 H new ATOM 0 HD3 LYS A 79 15.249 -17.136 9.077 1.00 0.00 H new ATOM 0 HE2 LYS A 79 15.857 -14.960 9.602 1.00 0.00 H new ATOM 0 HE3 LYS A 79 14.947 -14.689 8.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 14.445 -13.280 10.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 13.149 -13.848 9.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 13.552 -14.629 10.732 1.00 0.00 H new ATOM 1194 N LEU A 80 8.472 -17.352 8.012 1.00 0.00 N ATOM 1195 CA LEU A 80 7.165 -17.215 8.645 1.00 0.00 C ATOM 1196 C LEU A 80 6.581 -18.581 8.989 1.00 0.00 C ATOM 1197 O LEU A 80 7.230 -19.610 8.803 1.00 0.00 O ATOM 1198 CB LEU A 80 6.208 -16.456 7.723 1.00 0.00 C ATOM 1199 CG LEU A 80 6.569 -14.999 7.434 1.00 0.00 C ATOM 1200 CD1 LEU A 80 5.550 -14.373 6.495 1.00 0.00 C ATOM 1201 CD2 LEU A 80 6.662 -14.205 8.729 1.00 0.00 C ATOM 0 H LEU A 80 8.460 -17.851 7.122 1.00 0.00 H new ATOM 0 HA LEU A 80 7.293 -16.652 9.570 1.00 0.00 H new ATOM 0 HB2 LEU A 80 6.149 -16.990 6.774 1.00 0.00 H new ATOM 0 HB3 LEU A 80 5.212 -16.482 8.165 1.00 0.00 H new ATOM 0 HG LEU A 80 7.544 -14.976 6.947 1.00 0.00 H new ATOM 0 HD11 LEU A 80 5.823 -13.336 6.301 1.00 0.00 H new ATOM 0 HD12 LEU A 80 5.533 -14.926 5.556 1.00 0.00 H new ATOM 0 HD13 LEU A 80 4.562 -14.408 6.955 1.00 0.00 H new ATOM 0 HD21 LEU A 80 6.920 -13.170 8.504 1.00 0.00 H new ATOM 0 HD22 LEU A 80 5.702 -14.236 9.244 1.00 0.00 H new ATOM 0 HD23 LEU A 80 7.431 -14.640 9.368 1.00 0.00 H new ATOM 1213 N SER A 81 5.349 -18.584 9.490 1.00 0.00 N ATOM 1214 CA SER A 81 4.678 -19.823 9.862 1.00 0.00 C ATOM 1215 C SER A 81 3.269 -19.874 9.279 1.00 0.00 C ATOM 1216 O SER A 81 2.625 -18.849 9.056 1.00 0.00 O ATOM 1217 CB SER A 81 4.617 -19.958 11.385 1.00 0.00 C ATOM 1218 OG SER A 81 5.883 -19.710 11.970 1.00 0.00 O ATOM 0 H SER A 81 4.796 -17.741 9.647 1.00 0.00 H new ATOM 0 HA SER A 81 5.252 -20.655 9.453 1.00 0.00 H new ATOM 0 HB2 SER A 81 3.884 -19.258 11.786 1.00 0.00 H new ATOM 0 HB3 SER A 81 4.280 -20.960 11.651 1.00 0.00 H new ATOM 0 HG SER A 81 5.817 -19.801 12.944 1.00 0.00 H new ATOM 1224 N PRO A 82 2.778 -21.096 9.026 1.00 0.00 N ATOM 1225 CA PRO A 82 1.440 -21.312 8.466 1.00 0.00 C ATOM 1226 C PRO A 82 0.334 -20.966 9.457 1.00 0.00 C ATOM 1227 O PRO A 82 0.507 -21.104 10.667 1.00 0.00 O ATOM 1228 CB PRO A 82 1.426 -22.809 8.149 1.00 0.00 C ATOM 1229 CG PRO A 82 2.422 -23.404 9.083 1.00 0.00 C ATOM 1230 CD PRO A 82 3.491 -22.362 9.267 1.00 0.00 C ATOM 0 HA PRO A 82 1.253 -20.677 7.600 1.00 0.00 H new ATOM 0 HB2 PRO A 82 0.435 -23.237 8.302 1.00 0.00 H new ATOM 0 HB3 PRO A 82 1.697 -22.996 7.110 1.00 0.00 H new ATOM 0 HG2 PRO A 82 1.959 -23.660 10.036 1.00 0.00 H new ATOM 0 HG3 PRO A 82 2.840 -24.324 8.674 1.00 0.00 H new ATOM 0 HD2 PRO A 82 3.919 -22.398 10.269 1.00 0.00 H new ATOM 0 HD3 PRO A 82 4.313 -22.501 8.564 1.00 0.00 H new ATOM 1238 N ALA A 83 -0.802 -20.516 8.935 1.00 0.00 N ATOM 1239 CA ALA A 83 -1.937 -20.153 9.774 1.00 0.00 C ATOM 1240 C ALA A 83 -1.588 -18.990 10.696 1.00 0.00 C ATOM 1241 O ALA A 83 -1.862 -19.033 11.895 1.00 0.00 O ATOM 1242 CB ALA A 83 -2.398 -21.354 10.586 1.00 0.00 C ATOM 0 H ALA A 83 -0.961 -20.394 7.935 1.00 0.00 H new ATOM 0 HA ALA A 83 -2.751 -19.834 9.123 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -3.246 -21.069 11.208 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -2.696 -22.156 9.911 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.582 -21.699 11.221 1.00 0.00 H new ATOM 1248 N MET A 84 -0.981 -17.952 10.129 1.00 0.00 N ATOM 1249 CA MET A 84 -0.595 -16.777 10.902 1.00 0.00 C ATOM 1250 C MET A 84 -1.140 -15.504 10.263 1.00 0.00 C ATOM 1251 O MET A 84 -0.641 -15.052 9.233 1.00 0.00 O ATOM 1252 CB MET A 84 0.928 -16.694 11.016 1.00 0.00 C ATOM 1253 CG MET A 84 1.422 -15.382 11.605 1.00 0.00 C ATOM 1254 SD MET A 84 3.171 -15.090 11.280 1.00 0.00 S ATOM 1255 CE MET A 84 3.075 -14.015 9.851 1.00 0.00 C ATOM 0 H MET A 84 -0.746 -17.901 9.138 1.00 0.00 H new ATOM 0 HA MET A 84 -1.022 -16.872 11.900 1.00 0.00 H new ATOM 0 HB2 MET A 84 1.283 -17.518 11.635 1.00 0.00 H new ATOM 0 HB3 MET A 84 1.366 -16.827 10.027 1.00 0.00 H new ATOM 0 HG2 MET A 84 0.837 -14.560 11.192 1.00 0.00 H new ATOM 0 HG3 MET A 84 1.252 -15.385 12.682 1.00 0.00 H new ATOM 0 HE1 MET A 84 3.476 -14.532 8.979 1.00 0.00 H new ATOM 0 HE2 MET A 84 2.035 -13.747 9.667 1.00 0.00 H new ATOM 0 HE3 MET A 84 3.655 -13.111 10.036 1.00 0.00 H new ATOM 1265 N GLY A 85 -2.166 -14.928 10.882 1.00 0.00 N ATOM 1266 CA GLY A 85 -2.761 -13.712 10.359 1.00 0.00 C ATOM 1267 C GLY A 85 -1.871 -12.501 10.555 1.00 0.00 C ATOM 1268 O GLY A 85 -1.582 -12.111 11.686 1.00 0.00 O ATOM 0 H GLY A 85 -2.596 -15.282 11.737 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -2.967 -13.840 9.296 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -3.718 -13.539 10.851 1.00 0.00 H new ATOM 1272 N CYS A 86 -1.435 -11.905 9.451 1.00 0.00 N ATOM 1273 CA CYS A 86 -0.570 -10.731 9.506 1.00 0.00 C ATOM 1274 C CYS A 86 -1.111 -9.615 8.619 1.00 0.00 C ATOM 1275 O CYS A 86 -1.549 -9.858 7.494 1.00 0.00 O ATOM 1276 CB CYS A 86 0.850 -11.099 9.075 1.00 0.00 C ATOM 1277 SG CYS A 86 0.925 -12.245 7.679 1.00 0.00 S ATOM 0 H CYS A 86 -1.666 -12.215 8.507 1.00 0.00 H new ATOM 0 HA CYS A 86 -0.549 -10.373 10.535 1.00 0.00 H new ATOM 0 HB2 CYS A 86 1.386 -10.187 8.812 1.00 0.00 H new ATOM 0 HB3 CYS A 86 1.372 -11.542 9.923 1.00 0.00 H new ATOM 0 HG CYS A 86 0.870 -11.577 6.565 1.00 0.00 H new ATOM 1283 N LYS A 87 -1.080 -8.390 9.133 1.00 0.00 N ATOM 1284 CA LYS A 87 -1.567 -7.235 8.389 1.00 0.00 C ATOM 1285 C LYS A 87 -0.408 -6.440 7.798 1.00 0.00 C ATOM 1286 O LYS A 87 0.735 -6.571 8.236 1.00 0.00 O ATOM 1287 CB LYS A 87 -2.407 -6.334 9.298 1.00 0.00 C ATOM 1288 CG LYS A 87 -3.762 -6.921 9.652 1.00 0.00 C ATOM 1289 CD LYS A 87 -4.597 -5.946 10.465 1.00 0.00 C ATOM 1290 CE LYS A 87 -6.079 -6.278 10.383 1.00 0.00 C ATOM 1291 NZ LYS A 87 -6.912 -5.277 11.106 1.00 0.00 N ATOM 0 H LYS A 87 -0.722 -8.172 10.063 1.00 0.00 H new ATOM 0 HA LYS A 87 -2.190 -7.598 7.571 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -1.853 -6.141 10.217 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -2.554 -5.372 8.807 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -4.295 -7.184 8.739 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -3.624 -7.843 10.217 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -4.275 -5.970 11.506 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -4.430 -4.932 10.102 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -6.385 -6.318 9.338 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -6.253 -7.268 10.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -7.916 -5.538 11.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -6.638 -5.257 12.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -6.765 -4.336 10.688 1.00 0.00 H new ATOM 1305 N PHE A 88 -0.710 -5.613 6.802 1.00 0.00 N ATOM 1306 CA PHE A 88 0.308 -4.796 6.151 1.00 0.00 C ATOM 1307 C PHE A 88 -0.279 -3.469 5.681 1.00 0.00 C ATOM 1308 O PHE A 88 -1.481 -3.360 5.439 1.00 0.00 O ATOM 1309 CB PHE A 88 0.914 -5.548 4.964 1.00 0.00 C ATOM 1310 CG PHE A 88 1.283 -6.969 5.280 1.00 0.00 C ATOM 1311 CD1 PHE A 88 0.304 -7.939 5.416 1.00 0.00 C ATOM 1312 CD2 PHE A 88 2.610 -7.334 5.441 1.00 0.00 C ATOM 1313 CE1 PHE A 88 0.640 -9.248 5.706 1.00 0.00 C ATOM 1314 CE2 PHE A 88 2.953 -8.642 5.731 1.00 0.00 C ATOM 1315 CZ PHE A 88 1.967 -9.599 5.865 1.00 0.00 C ATOM 0 H PHE A 88 -1.651 -5.491 6.428 1.00 0.00 H new ATOM 0 HA PHE A 88 1.092 -4.589 6.879 1.00 0.00 H new ATOM 0 HB2 PHE A 88 0.203 -5.541 4.138 1.00 0.00 H new ATOM 0 HB3 PHE A 88 1.803 -5.017 4.624 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -0.735 -7.669 5.294 1.00 0.00 H new ATOM 0 HD2 PHE A 88 3.385 -6.589 5.339 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -0.133 -9.995 5.808 1.00 0.00 H new ATOM 0 HE2 PHE A 88 3.991 -8.914 5.853 1.00 0.00 H new ATOM 0 HZ PHE A 88 2.232 -10.621 6.094 1.00 0.00 H new ATOM 1325 N ARG A 89 0.578 -2.461 5.556 1.00 0.00 N ATOM 1326 CA ARG A 89 0.145 -1.140 5.117 1.00 0.00 C ATOM 1327 C ARG A 89 1.196 -0.493 4.219 1.00 0.00 C ATOM 1328 O ARG A 89 2.395 -0.576 4.490 1.00 0.00 O ATOM 1329 CB ARG A 89 -0.131 -0.242 6.325 1.00 0.00 C ATOM 1330 CG ARG A 89 1.089 -0.008 7.201 1.00 0.00 C ATOM 1331 CD ARG A 89 0.854 1.119 8.194 1.00 0.00 C ATOM 1332 NE ARG A 89 0.087 0.674 9.355 1.00 0.00 N ATOM 1333 CZ ARG A 89 -0.406 1.501 10.270 1.00 0.00 C ATOM 1334 NH1 ARG A 89 -0.213 2.808 10.161 1.00 0.00 N ATOM 1335 NH2 ARG A 89 -1.093 1.020 11.299 1.00 0.00 N ATOM 0 H ARG A 89 1.576 -2.534 5.753 1.00 0.00 H new ATOM 0 HA ARG A 89 -0.774 -1.259 4.544 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -0.506 0.720 5.974 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -0.920 -0.691 6.928 1.00 0.00 H new ATOM 0 HG2 ARG A 89 1.333 -0.924 7.739 1.00 0.00 H new ATOM 0 HG3 ARG A 89 1.948 0.231 6.574 1.00 0.00 H new ATOM 0 HD2 ARG A 89 1.813 1.517 8.524 1.00 0.00 H new ATOM 0 HD3 ARG A 89 0.324 1.933 7.700 1.00 0.00 H new ATOM 0 HE ARG A 89 -0.079 -0.326 9.469 1.00 0.00 H new ATOM 0 HH11 ARG A 89 0.316 3.181 9.373 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -0.593 3.440 10.866 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -1.242 0.015 11.387 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -1.471 1.656 12.001 1.00 0.00 H new ATOM 1349 N LEU A 90 0.740 0.149 3.150 1.00 0.00 N ATOM 1350 CA LEU A 90 1.640 0.810 2.212 1.00 0.00 C ATOM 1351 C LEU A 90 1.470 2.325 2.268 1.00 0.00 C ATOM 1352 O LEU A 90 0.355 2.829 2.399 1.00 0.00 O ATOM 1353 CB LEU A 90 1.384 0.309 0.790 1.00 0.00 C ATOM 1354 CG LEU A 90 2.317 0.853 -0.293 1.00 0.00 C ATOM 1355 CD1 LEU A 90 3.728 0.323 -0.097 1.00 0.00 C ATOM 1356 CD2 LEU A 90 1.796 0.493 -1.676 1.00 0.00 C ATOM 0 H LEU A 90 -0.249 0.226 2.911 1.00 0.00 H new ATOM 0 HA LEU A 90 2.664 0.568 2.498 1.00 0.00 H new ATOM 0 HB2 LEU A 90 1.457 -0.779 0.791 1.00 0.00 H new ATOM 0 HB3 LEU A 90 0.359 0.560 0.517 1.00 0.00 H new ATOM 0 HG LEU A 90 2.345 1.939 -0.210 1.00 0.00 H new ATOM 0 HD11 LEU A 90 4.378 0.721 -0.877 1.00 0.00 H new ATOM 0 HD12 LEU A 90 4.101 0.633 0.879 1.00 0.00 H new ATOM 0 HD13 LEU A 90 3.719 -0.766 -0.153 1.00 0.00 H new ATOM 0 HD21 LEU A 90 2.472 0.888 -2.434 1.00 0.00 H new ATOM 0 HD22 LEU A 90 1.737 -0.591 -1.772 1.00 0.00 H new ATOM 0 HD23 LEU A 90 0.804 0.924 -1.815 1.00 0.00 H new ATOM 1368 N SER A 91 2.582 3.044 2.165 1.00 0.00 N ATOM 1369 CA SER A 91 2.556 4.502 2.205 1.00 0.00 C ATOM 1370 C SER A 91 3.692 5.089 1.372 1.00 0.00 C ATOM 1371 O SER A 91 4.794 4.543 1.333 1.00 0.00 O ATOM 1372 CB SER A 91 2.661 4.995 3.650 1.00 0.00 C ATOM 1373 OG SER A 91 3.915 4.655 4.215 1.00 0.00 O ATOM 0 H SER A 91 3.513 2.642 2.053 1.00 0.00 H new ATOM 0 HA SER A 91 1.609 4.836 1.782 1.00 0.00 H new ATOM 0 HB2 SER A 91 2.527 6.076 3.679 1.00 0.00 H new ATOM 0 HB3 SER A 91 1.860 4.558 4.246 1.00 0.00 H new ATOM 0 HG SER A 91 3.893 4.816 5.181 1.00 0.00 H new ATOM 1379 N ALA A 92 3.413 6.206 0.707 1.00 0.00 N ATOM 1380 CA ALA A 92 4.411 6.869 -0.123 1.00 0.00 C ATOM 1381 C ALA A 92 4.946 8.124 0.558 1.00 0.00 C ATOM 1382 O ALA A 92 4.178 8.947 1.055 1.00 0.00 O ATOM 1383 CB ALA A 92 3.820 7.215 -1.482 1.00 0.00 C ATOM 0 H ALA A 92 2.505 6.670 0.727 1.00 0.00 H new ATOM 0 HA ALA A 92 5.245 6.181 -0.265 1.00 0.00 H new ATOM 0 HB1 ALA A 92 4.576 7.710 -2.092 1.00 0.00 H new ATOM 0 HB2 ALA A 92 3.493 6.302 -1.979 1.00 0.00 H new ATOM 0 HB3 ALA A 92 2.968 7.881 -1.349 1.00 0.00 H new ATOM 1389 N ARG A 93 6.268 8.262 0.578 1.00 0.00 N ATOM 1390 CA ARG A 93 6.905 9.416 1.200 1.00 0.00 C ATOM 1391 C ARG A 93 7.769 10.169 0.192 1.00 0.00 C ATOM 1392 O ARG A 93 8.553 9.568 -0.540 1.00 0.00 O ATOM 1393 CB ARG A 93 7.760 8.974 2.390 1.00 0.00 C ATOM 1394 CG ARG A 93 8.858 9.961 2.751 1.00 0.00 C ATOM 1395 CD ARG A 93 9.809 9.381 3.787 1.00 0.00 C ATOM 1396 NE ARG A 93 10.896 10.301 4.107 1.00 0.00 N ATOM 1397 CZ ARG A 93 10.785 11.294 4.983 1.00 0.00 C ATOM 1398 NH1 ARG A 93 9.641 11.493 5.622 1.00 0.00 N ATOM 1399 NH2 ARG A 93 11.820 12.090 5.220 1.00 0.00 N ATOM 0 H ARG A 93 6.918 7.589 0.171 1.00 0.00 H new ATOM 0 HA ARG A 93 6.121 10.086 1.553 1.00 0.00 H new ATOM 0 HB2 ARG A 93 7.115 8.829 3.256 1.00 0.00 H new ATOM 0 HB3 ARG A 93 8.211 8.008 2.163 1.00 0.00 H new ATOM 0 HG2 ARG A 93 9.416 10.231 1.854 1.00 0.00 H new ATOM 0 HG3 ARG A 93 8.412 10.878 3.137 1.00 0.00 H new ATOM 0 HD2 ARG A 93 9.255 9.144 4.695 1.00 0.00 H new ATOM 0 HD3 ARG A 93 10.224 8.445 3.414 1.00 0.00 H new ATOM 0 HE ARG A 93 11.790 10.175 3.632 1.00 0.00 H new ATOM 0 HH11 ARG A 93 8.843 10.883 5.442 1.00 0.00 H new ATOM 0 HH12 ARG A 93 9.558 12.256 6.294 1.00 0.00 H new ATOM 0 HH21 ARG A 93 12.702 11.940 4.730 1.00 0.00 H new ATOM 0 HH22 ARG A 93 11.734 12.852 5.893 1.00 0.00 H new ATOM 1413 N ASN A 94 7.618 11.489 0.162 1.00 0.00 N ATOM 1414 CA ASN A 94 8.383 12.325 -0.757 1.00 0.00 C ATOM 1415 C ASN A 94 9.209 13.357 0.005 1.00 0.00 C ATOM 1416 O ASN A 94 9.238 13.357 1.236 1.00 0.00 O ATOM 1417 CB ASN A 94 7.445 13.030 -1.739 1.00 0.00 C ATOM 1418 CG ASN A 94 6.290 13.721 -1.040 1.00 0.00 C ATOM 1419 OD1 ASN A 94 6.225 13.757 0.189 1.00 0.00 O ATOM 1420 ND2 ASN A 94 5.371 14.275 -1.823 1.00 0.00 N ATOM 0 H ASN A 94 6.974 12.003 0.763 1.00 0.00 H new ATOM 0 HA ASN A 94 9.064 11.681 -1.314 1.00 0.00 H new ATOM 0 HB2 ASN A 94 8.010 13.764 -2.314 1.00 0.00 H new ATOM 0 HB3 ASN A 94 7.053 12.302 -2.449 1.00 0.00 H new ATOM 0 HD21 ASN A 94 4.571 14.755 -1.410 1.00 0.00 H new ATOM 0 HD22 ASN A 94 5.465 14.221 -2.837 1.00 0.00 H new ATOM 1427 N ASP A 95 9.879 14.234 -0.734 1.00 0.00 N ATOM 1428 CA ASP A 95 10.704 15.272 -0.129 1.00 0.00 C ATOM 1429 C ASP A 95 9.935 16.009 0.964 1.00 0.00 C ATOM 1430 O ASP A 95 10.529 16.670 1.817 1.00 0.00 O ATOM 1431 CB ASP A 95 11.177 16.263 -1.193 1.00 0.00 C ATOM 1432 CG ASP A 95 12.388 17.058 -0.746 1.00 0.00 C ATOM 1433 OD1 ASP A 95 13.235 16.494 -0.023 1.00 0.00 O ATOM 1434 OD2 ASP A 95 12.489 18.245 -1.121 1.00 0.00 O ATOM 0 H ASP A 95 9.867 14.246 -1.754 1.00 0.00 H new ATOM 0 HA ASP A 95 11.573 14.793 0.322 1.00 0.00 H new ATOM 0 HB2 ASP A 95 11.419 15.722 -2.108 1.00 0.00 H new ATOM 0 HB3 ASP A 95 10.364 16.949 -1.434 1.00 0.00 H new ATOM 1439 N TYR A 96 8.612 15.892 0.931 1.00 0.00 N ATOM 1440 CA TYR A 96 7.762 16.550 1.915 1.00 0.00 C ATOM 1441 C TYR A 96 7.592 15.680 3.157 1.00 0.00 C ATOM 1442 O TYR A 96 7.977 16.068 4.259 1.00 0.00 O ATOM 1443 CB TYR A 96 6.394 16.866 1.309 1.00 0.00 C ATOM 1444 CG TYR A 96 6.459 17.801 0.122 1.00 0.00 C ATOM 1445 CD1 TYR A 96 6.468 19.179 0.299 1.00 0.00 C ATOM 1446 CD2 TYR A 96 6.509 17.306 -1.175 1.00 0.00 C ATOM 1447 CE1 TYR A 96 6.526 20.037 -0.783 1.00 0.00 C ATOM 1448 CE2 TYR A 96 6.569 18.157 -2.262 1.00 0.00 C ATOM 1449 CZ TYR A 96 6.578 19.521 -2.061 1.00 0.00 C ATOM 1450 OH TYR A 96 6.636 20.372 -3.141 1.00 0.00 O ATOM 0 H TYR A 96 8.105 15.347 0.233 1.00 0.00 H new ATOM 0 HA TYR A 96 8.245 17.482 2.209 1.00 0.00 H new ATOM 0 HB2 TYR A 96 5.918 15.935 1.002 1.00 0.00 H new ATOM 0 HB3 TYR A 96 5.760 17.310 2.076 1.00 0.00 H new ATOM 0 HD1 TYR A 96 6.429 19.586 1.298 1.00 0.00 H new ATOM 0 HD2 TYR A 96 6.501 16.238 -1.336 1.00 0.00 H new ATOM 0 HE1 TYR A 96 6.531 21.106 -0.629 1.00 0.00 H new ATOM 0 HE2 TYR A 96 6.609 17.756 -3.264 1.00 0.00 H new ATOM 0 HH TYR A 96 6.733 19.849 -3.964 1.00 0.00 H new ATOM 1460 N GLY A 97 7.013 14.498 2.968 1.00 0.00 N ATOM 1461 CA GLY A 97 6.801 13.589 4.080 1.00 0.00 C ATOM 1462 C GLY A 97 6.013 12.358 3.681 1.00 0.00 C ATOM 1463 O GLY A 97 5.575 12.235 2.536 1.00 0.00 O ATOM 0 H GLY A 97 6.687 14.154 2.065 1.00 0.00 H new ATOM 0 HA2 GLY A 97 7.766 13.283 4.484 1.00 0.00 H new ATOM 0 HA3 GLY A 97 6.273 14.112 4.877 1.00 0.00 H new ATOM 1467 N THR A 98 5.832 11.440 4.626 1.00 0.00 N ATOM 1468 CA THR A 98 5.094 10.211 4.366 1.00 0.00 C ATOM 1469 C THR A 98 3.591 10.463 4.359 1.00 0.00 C ATOM 1470 O THR A 98 3.022 10.905 5.357 1.00 0.00 O ATOM 1471 CB THR A 98 5.417 9.130 5.415 1.00 0.00 C ATOM 1472 OG1 THR A 98 6.783 9.243 5.830 1.00 0.00 O ATOM 1473 CG2 THR A 98 5.166 7.739 4.853 1.00 0.00 C ATOM 0 H THR A 98 6.187 11.525 5.578 1.00 0.00 H new ATOM 0 HA THR A 98 5.405 9.858 3.383 1.00 0.00 H new ATOM 0 HB THR A 98 4.763 9.281 6.274 1.00 0.00 H new ATOM 0 HG1 THR A 98 6.980 8.554 6.498 1.00 0.00 H new ATOM 0 HG21 THR A 98 5.401 6.992 5.611 1.00 0.00 H new ATOM 0 HG22 THR A 98 4.119 7.647 4.565 1.00 0.00 H new ATOM 0 HG23 THR A 98 5.798 7.580 3.979 1.00 0.00 H new ATOM 1481 N SER A 99 2.953 10.178 3.228 1.00 0.00 N ATOM 1482 CA SER A 99 1.515 10.377 3.091 1.00 0.00 C ATOM 1483 C SER A 99 0.743 9.294 3.838 1.00 0.00 C ATOM 1484 O SER A 99 1.241 8.186 4.037 1.00 0.00 O ATOM 1485 CB SER A 99 1.118 10.376 1.613 1.00 0.00 C ATOM 1486 OG SER A 99 1.539 9.184 0.973 1.00 0.00 O ATOM 0 H SER A 99 3.409 9.809 2.394 1.00 0.00 H new ATOM 0 HA SER A 99 1.263 11.344 3.527 1.00 0.00 H new ATOM 0 HB2 SER A 99 0.036 10.478 1.524 1.00 0.00 H new ATOM 0 HB3 SER A 99 1.562 11.237 1.113 1.00 0.00 H new ATOM 0 HG SER A 99 2.518 9.149 0.958 1.00 0.00 H new ATOM 1492 N GLY A 100 -0.478 9.622 4.248 1.00 0.00 N ATOM 1493 CA GLY A 100 -1.301 8.668 4.968 1.00 0.00 C ATOM 1494 C GLY A 100 -1.074 7.242 4.507 1.00 0.00 C ATOM 1495 O GLY A 100 -0.752 7.003 3.343 1.00 0.00 O ATOM 0 H GLY A 100 -0.912 10.532 4.094 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -1.087 8.740 6.034 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -2.352 8.926 4.836 1.00 0.00 H new ATOM 1499 N PHE A 101 -1.239 6.292 5.421 1.00 0.00 N ATOM 1500 CA PHE A 101 -1.048 4.882 5.102 1.00 0.00 C ATOM 1501 C PHE A 101 -2.312 4.287 4.488 1.00 0.00 C ATOM 1502 O PHE A 101 -3.426 4.608 4.901 1.00 0.00 O ATOM 1503 CB PHE A 101 -0.661 4.101 6.359 1.00 0.00 C ATOM 1504 CG PHE A 101 0.667 4.506 6.932 1.00 0.00 C ATOM 1505 CD1 PHE A 101 1.836 3.900 6.501 1.00 0.00 C ATOM 1506 CD2 PHE A 101 0.746 5.494 7.901 1.00 0.00 C ATOM 1507 CE1 PHE A 101 3.059 4.271 7.027 1.00 0.00 C ATOM 1508 CE2 PHE A 101 1.967 5.869 8.430 1.00 0.00 C ATOM 1509 CZ PHE A 101 3.125 5.257 7.992 1.00 0.00 C ATOM 0 H PHE A 101 -1.505 6.473 6.389 1.00 0.00 H new ATOM 0 HA PHE A 101 -0.241 4.806 4.373 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -1.432 4.242 7.116 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -0.636 3.037 6.123 1.00 0.00 H new ATOM 0 HD1 PHE A 101 1.791 3.129 5.746 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -0.156 5.976 8.247 1.00 0.00 H new ATOM 0 HE1 PHE A 101 3.963 3.790 6.684 1.00 0.00 H new ATOM 0 HE2 PHE A 101 2.015 6.640 9.185 1.00 0.00 H new ATOM 0 HZ PHE A 101 4.080 5.549 8.403 1.00 0.00 H new ATOM 1519 N SER A 102 -2.129 3.418 3.499 1.00 0.00 N ATOM 1520 CA SER A 102 -3.254 2.780 2.825 1.00 0.00 C ATOM 1521 C SER A 102 -4.162 2.077 3.829 1.00 0.00 C ATOM 1522 O SER A 102 -3.905 2.095 5.032 1.00 0.00 O ATOM 1523 CB SER A 102 -2.750 1.776 1.786 1.00 0.00 C ATOM 1524 OG SER A 102 -2.239 0.611 2.408 1.00 0.00 O ATOM 0 H SER A 102 -1.213 3.140 3.147 1.00 0.00 H new ATOM 0 HA SER A 102 -3.831 3.556 2.321 1.00 0.00 H new ATOM 0 HB2 SER A 102 -3.564 1.505 1.113 1.00 0.00 H new ATOM 0 HB3 SER A 102 -1.973 2.238 1.177 1.00 0.00 H new ATOM 0 HG SER A 102 -2.750 -0.170 2.109 1.00 0.00 H new ATOM 1530 N GLU A 103 -5.224 1.457 3.325 1.00 0.00 N ATOM 1531 CA GLU A 103 -6.171 0.749 4.177 1.00 0.00 C ATOM 1532 C GLU A 103 -5.561 -0.544 4.711 1.00 0.00 C ATOM 1533 O GLU A 103 -5.107 -1.391 3.942 1.00 0.00 O ATOM 1534 CB GLU A 103 -7.455 0.438 3.404 1.00 0.00 C ATOM 1535 CG GLU A 103 -8.323 1.660 3.151 1.00 0.00 C ATOM 1536 CD GLU A 103 -9.604 1.322 2.414 1.00 0.00 C ATOM 1537 OE1 GLU A 103 -10.517 0.748 3.042 1.00 0.00 O ATOM 1538 OE2 GLU A 103 -9.693 1.632 1.207 1.00 0.00 O ATOM 0 H GLU A 103 -5.450 1.431 2.331 1.00 0.00 H new ATOM 0 HA GLU A 103 -6.412 1.394 5.022 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -7.193 -0.016 2.448 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -8.034 -0.300 3.959 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -8.569 2.130 4.103 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -7.757 2.390 2.572 1.00 0.00 H new ATOM 1545 N GLU A 104 -5.554 -0.687 6.032 1.00 0.00 N ATOM 1546 CA GLU A 104 -4.998 -1.876 6.669 1.00 0.00 C ATOM 1547 C GLU A 104 -5.538 -3.145 6.016 1.00 0.00 C ATOM 1548 O GLU A 104 -6.748 -3.370 5.977 1.00 0.00 O ATOM 1549 CB GLU A 104 -5.322 -1.880 8.164 1.00 0.00 C ATOM 1550 CG GLU A 104 -4.713 -0.713 8.922 1.00 0.00 C ATOM 1551 CD GLU A 104 -3.235 -0.537 8.632 1.00 0.00 C ATOM 1552 OE1 GLU A 104 -2.535 -1.559 8.476 1.00 0.00 O ATOM 1553 OE2 GLU A 104 -2.779 0.624 8.561 1.00 0.00 O ATOM 0 H GLU A 104 -5.927 0.005 6.682 1.00 0.00 H new ATOM 0 HA GLU A 104 -3.916 -1.854 6.540 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -6.404 -1.861 8.293 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -4.966 -2.812 8.602 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -5.243 0.203 8.659 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -4.854 -0.866 9.992 1.00 0.00 H new ATOM 1560 N VAL A 105 -4.632 -3.972 5.503 1.00 0.00 N ATOM 1561 CA VAL A 105 -5.016 -5.219 4.853 1.00 0.00 C ATOM 1562 C VAL A 105 -4.604 -6.425 5.689 1.00 0.00 C ATOM 1563 O VAL A 105 -3.564 -6.411 6.348 1.00 0.00 O ATOM 1564 CB VAL A 105 -4.385 -5.339 3.453 1.00 0.00 C ATOM 1565 CG1 VAL A 105 -5.169 -4.518 2.441 1.00 0.00 C ATOM 1566 CG2 VAL A 105 -2.927 -4.907 3.488 1.00 0.00 C ATOM 0 H VAL A 105 -3.627 -3.800 5.525 1.00 0.00 H new ATOM 0 HA VAL A 105 -6.101 -5.203 4.755 1.00 0.00 H new ATOM 0 HB VAL A 105 -4.424 -6.384 3.144 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -4.708 -4.615 1.458 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -6.197 -4.879 2.397 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -5.165 -3.470 2.741 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -2.497 -4.998 2.491 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -2.863 -3.870 3.818 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -2.376 -5.543 4.181 1.00 0.00 H new ATOM 1576 N LEU A 106 -5.427 -7.468 5.659 1.00 0.00 N ATOM 1577 CA LEU A 106 -5.149 -8.684 6.414 1.00 0.00 C ATOM 1578 C LEU A 106 -4.926 -9.868 5.478 1.00 0.00 C ATOM 1579 O LEU A 106 -5.642 -10.035 4.491 1.00 0.00 O ATOM 1580 CB LEU A 106 -6.301 -8.988 7.373 1.00 0.00 C ATOM 1581 CG LEU A 106 -6.215 -10.315 8.127 1.00 0.00 C ATOM 1582 CD1 LEU A 106 -5.047 -10.302 9.100 1.00 0.00 C ATOM 1583 CD2 LEU A 106 -7.519 -10.598 8.859 1.00 0.00 C ATOM 0 H LEU A 106 -6.292 -7.495 5.120 1.00 0.00 H new ATOM 0 HA LEU A 106 -4.238 -8.523 6.990 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -6.361 -8.181 8.104 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -7.232 -8.975 6.806 1.00 0.00 H new ATOM 0 HG LEU A 106 -6.048 -11.112 7.403 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -5.002 -11.255 9.627 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -4.118 -10.147 8.551 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -5.182 -9.495 9.820 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -7.440 -11.547 9.390 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -7.717 -9.798 9.572 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -8.336 -10.652 8.139 1.00 0.00 H new ATOM 1595 N TYR A 107 -3.930 -10.687 5.796 1.00 0.00 N ATOM 1596 CA TYR A 107 -3.613 -11.855 4.983 1.00 0.00 C ATOM 1597 C TYR A 107 -3.221 -13.040 5.861 1.00 0.00 C ATOM 1598 O TYR A 107 -2.740 -12.865 6.982 1.00 0.00 O ATOM 1599 CB TYR A 107 -2.479 -11.532 4.008 1.00 0.00 C ATOM 1600 CG TYR A 107 -2.934 -10.773 2.782 1.00 0.00 C ATOM 1601 CD1 TYR A 107 -3.701 -11.393 1.803 1.00 0.00 C ATOM 1602 CD2 TYR A 107 -2.595 -9.438 2.601 1.00 0.00 C ATOM 1603 CE1 TYR A 107 -4.118 -10.704 0.680 1.00 0.00 C ATOM 1604 CE2 TYR A 107 -3.009 -8.741 1.483 1.00 0.00 C ATOM 1605 CZ TYR A 107 -3.770 -9.378 0.525 1.00 0.00 C ATOM 1606 OH TYR A 107 -4.182 -8.688 -0.591 1.00 0.00 O ATOM 0 H TYR A 107 -3.328 -10.564 6.611 1.00 0.00 H new ATOM 0 HA TYR A 107 -4.505 -12.124 4.417 1.00 0.00 H new ATOM 0 HB2 TYR A 107 -1.720 -10.946 4.527 1.00 0.00 H new ATOM 0 HB3 TYR A 107 -2.005 -12.462 3.694 1.00 0.00 H new ATOM 0 HD1 TYR A 107 -3.976 -12.431 1.922 1.00 0.00 H new ATOM 0 HD2 TYR A 107 -1.997 -8.936 3.348 1.00 0.00 H new ATOM 0 HE1 TYR A 107 -4.713 -11.201 -0.072 1.00 0.00 H new ATOM 0 HE2 TYR A 107 -2.738 -7.703 1.359 1.00 0.00 H new ATOM 0 HH TYR A 107 -4.157 -7.725 -0.408 1.00 0.00 H new ATOM 1616 N TYR A 108 -3.428 -14.245 5.344 1.00 0.00 N ATOM 1617 CA TYR A 108 -3.099 -15.460 6.081 1.00 0.00 C ATOM 1618 C TYR A 108 -2.257 -16.403 5.227 1.00 0.00 C ATOM 1619 O TYR A 108 -2.668 -16.811 4.140 1.00 0.00 O ATOM 1620 CB TYR A 108 -4.376 -16.169 6.535 1.00 0.00 C ATOM 1621 CG TYR A 108 -4.854 -15.738 7.903 1.00 0.00 C ATOM 1622 CD1 TYR A 108 -5.421 -14.485 8.100 1.00 0.00 C ATOM 1623 CD2 TYR A 108 -4.737 -16.584 8.999 1.00 0.00 C ATOM 1624 CE1 TYR A 108 -5.858 -14.087 9.348 1.00 0.00 C ATOM 1625 CE2 TYR A 108 -5.173 -16.194 10.251 1.00 0.00 C ATOM 1626 CZ TYR A 108 -5.732 -14.945 10.421 1.00 0.00 C ATOM 1627 OH TYR A 108 -6.166 -14.553 11.666 1.00 0.00 O ATOM 0 H TYR A 108 -3.822 -14.407 4.417 1.00 0.00 H new ATOM 0 HA TYR A 108 -2.518 -15.176 6.958 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -5.165 -15.980 5.807 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -4.201 -17.245 6.543 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -5.522 -13.811 7.263 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -4.298 -17.562 8.870 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -6.296 -13.109 9.483 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -5.076 -16.864 11.092 1.00 0.00 H new ATOM 0 HH TYR A 108 -6.006 -15.274 12.310 1.00 0.00 H new ATOM 1637 N THR A 109 -1.074 -16.747 5.727 1.00 0.00 N ATOM 1638 CA THR A 109 -0.173 -17.642 5.012 1.00 0.00 C ATOM 1639 C THR A 109 -0.923 -18.844 4.449 1.00 0.00 C ATOM 1640 O THR A 109 -2.017 -19.174 4.906 1.00 0.00 O ATOM 1641 CB THR A 109 0.963 -18.141 5.924 1.00 0.00 C ATOM 1642 OG1 THR A 109 0.418 -18.697 7.126 1.00 0.00 O ATOM 1643 CG2 THR A 109 1.917 -17.008 6.271 1.00 0.00 C ATOM 0 H THR A 109 -0.718 -16.419 6.625 1.00 0.00 H new ATOM 0 HA THR A 109 0.256 -17.068 4.190 1.00 0.00 H new ATOM 0 HB THR A 109 1.518 -18.910 5.387 1.00 0.00 H new ATOM 0 HG1 THR A 109 1.092 -18.665 7.836 1.00 0.00 H new ATOM 0 HG21 THR A 109 2.711 -17.385 6.916 1.00 0.00 H new ATOM 0 HG22 THR A 109 2.353 -16.606 5.356 1.00 0.00 H new ATOM 0 HG23 THR A 109 1.372 -16.219 6.790 1.00 0.00 H new ATOM 1651 N SER A 110 -0.327 -19.495 3.455 1.00 0.00 N ATOM 1652 CA SER A 110 -0.941 -20.659 2.828 1.00 0.00 C ATOM 1653 C SER A 110 -1.703 -21.491 3.854 1.00 0.00 C ATOM 1654 O SER A 110 -2.832 -21.914 3.612 1.00 0.00 O ATOM 1655 CB SER A 110 0.126 -21.520 2.148 1.00 0.00 C ATOM 1656 OG SER A 110 -0.466 -22.519 1.336 1.00 0.00 O ATOM 0 H SER A 110 0.580 -19.236 3.067 1.00 0.00 H new ATOM 0 HA SER A 110 -1.647 -20.306 2.076 1.00 0.00 H new ATOM 0 HB2 SER A 110 0.773 -20.889 1.539 1.00 0.00 H new ATOM 0 HB3 SER A 110 0.756 -21.988 2.904 1.00 0.00 H new ATOM 0 HG SER A 110 0.237 -23.054 0.912 1.00 0.00 H new ATOM 1662 N GLY A 111 -1.076 -21.721 5.004 1.00 0.00 N ATOM 1663 CA GLY A 111 -1.709 -22.501 6.051 1.00 0.00 C ATOM 1664 C GLY A 111 -2.028 -23.915 5.609 1.00 0.00 C ATOM 1665 O GLY A 111 -1.806 -24.276 4.452 1.00 0.00 O ATOM 0 H GLY A 111 -0.141 -21.381 5.229 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -1.053 -22.535 6.921 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -2.628 -22.005 6.364 1.00 0.00 H new ATOM 1669 N CYS A 112 -2.548 -24.719 6.530 1.00 0.00 N ATOM 1670 CA CYS A 112 -2.895 -26.103 6.229 1.00 0.00 C ATOM 1671 C CYS A 112 -4.371 -26.366 6.506 1.00 0.00 C ATOM 1672 O CYS A 112 -4.877 -26.047 7.582 1.00 0.00 O ATOM 1673 CB CYS A 112 -2.031 -27.058 7.053 1.00 0.00 C ATOM 1674 SG CYS A 112 -2.425 -28.806 6.810 1.00 0.00 S ATOM 0 H CYS A 112 -2.738 -24.436 7.491 1.00 0.00 H new ATOM 0 HA CYS A 112 -2.706 -26.277 5.170 1.00 0.00 H new ATOM 0 HB2 CYS A 112 -0.984 -26.894 6.799 1.00 0.00 H new ATOM 0 HB3 CYS A 112 -2.145 -26.814 8.109 1.00 0.00 H new ATOM 0 HG CYS A 112 -1.640 -29.534 7.547 1.00 0.00 H new ATOM 1680 N SER A 113 -5.058 -26.947 5.528 1.00 0.00 N ATOM 1681 CA SER A 113 -6.478 -27.248 5.665 1.00 0.00 C ATOM 1682 C SER A 113 -6.748 -28.025 6.949 1.00 0.00 C ATOM 1683 O SER A 113 -6.094 -29.029 7.230 1.00 0.00 O ATOM 1684 CB SER A 113 -6.970 -28.049 4.458 1.00 0.00 C ATOM 1685 OG SER A 113 -6.486 -29.380 4.497 1.00 0.00 O ATOM 0 H SER A 113 -4.654 -27.219 4.632 1.00 0.00 H new ATOM 0 HA SER A 113 -7.021 -26.304 5.712 1.00 0.00 H new ATOM 0 HB2 SER A 113 -8.060 -28.055 4.442 1.00 0.00 H new ATOM 0 HB3 SER A 113 -6.640 -27.566 3.538 1.00 0.00 H new ATOM 0 HG SER A 113 -6.274 -29.624 5.422 1.00 0.00 H new ATOM 1691 N GLY A 114 -7.717 -27.553 7.728 1.00 0.00 N ATOM 1692 CA GLY A 114 -8.057 -28.214 8.973 1.00 0.00 C ATOM 1693 C GLY A 114 -9.257 -29.130 8.835 1.00 0.00 C ATOM 1694 O GLY A 114 -9.140 -30.282 8.416 1.00 0.00 O ATOM 0 H GLY A 114 -8.273 -26.724 7.518 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -7.200 -28.792 9.319 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -8.263 -27.463 9.735 1.00 0.00 H new ATOM 1698 N PRO A 115 -10.443 -28.617 9.194 1.00 0.00 N ATOM 1699 CA PRO A 115 -11.692 -29.381 9.118 1.00 0.00 C ATOM 1700 C PRO A 115 -12.128 -29.636 7.679 1.00 0.00 C ATOM 1701 O PRO A 115 -12.970 -30.496 7.419 1.00 0.00 O ATOM 1702 CB PRO A 115 -12.703 -28.479 9.831 1.00 0.00 C ATOM 1703 CG PRO A 115 -12.152 -27.103 9.685 1.00 0.00 C ATOM 1704 CD PRO A 115 -10.656 -27.251 9.703 1.00 0.00 C ATOM 0 HA PRO A 115 -11.593 -30.370 9.565 1.00 0.00 H new ATOM 0 HB2 PRO A 115 -13.692 -28.559 9.380 1.00 0.00 H new ATOM 0 HB3 PRO A 115 -12.808 -28.754 10.880 1.00 0.00 H new ATOM 0 HG2 PRO A 115 -12.488 -26.645 8.754 1.00 0.00 H new ATOM 0 HG3 PRO A 115 -12.490 -26.459 10.497 1.00 0.00 H new ATOM 0 HD2 PRO A 115 -10.171 -26.507 9.072 1.00 0.00 H new ATOM 0 HD3 PRO A 115 -10.252 -27.129 10.708 1.00 0.00 H new ATOM 1712 N SER A 116 -11.550 -28.884 6.748 1.00 0.00 N ATOM 1713 CA SER A 116 -11.881 -29.027 5.335 1.00 0.00 C ATOM 1714 C SER A 116 -13.245 -28.414 5.033 1.00 0.00 C ATOM 1715 O SER A 116 -14.075 -29.022 4.357 1.00 0.00 O ATOM 1716 CB SER A 116 -11.873 -30.504 4.935 1.00 0.00 C ATOM 1717 OG SER A 116 -11.577 -30.657 3.558 1.00 0.00 O ATOM 0 H SER A 116 -10.850 -28.169 6.947 1.00 0.00 H new ATOM 0 HA SER A 116 -11.127 -28.497 4.754 1.00 0.00 H new ATOM 0 HB2 SER A 116 -11.135 -31.041 5.531 1.00 0.00 H new ATOM 0 HB3 SER A 116 -12.844 -30.949 5.153 1.00 0.00 H new ATOM 0 HG SER A 116 -11.576 -31.609 3.327 1.00 0.00 H new ATOM 1723 N SER A 117 -13.469 -27.205 5.539 1.00 0.00 N ATOM 1724 CA SER A 117 -14.733 -26.510 5.327 1.00 0.00 C ATOM 1725 C SER A 117 -14.585 -25.017 5.605 1.00 0.00 C ATOM 1726 O SER A 117 -14.181 -24.614 6.695 1.00 0.00 O ATOM 1727 CB SER A 117 -15.822 -27.102 6.224 1.00 0.00 C ATOM 1728 OG SER A 117 -17.098 -26.590 5.883 1.00 0.00 O ATOM 0 H SER A 117 -12.791 -26.687 6.098 1.00 0.00 H new ATOM 0 HA SER A 117 -15.021 -26.641 4.284 1.00 0.00 H new ATOM 0 HB2 SER A 117 -15.825 -28.188 6.129 1.00 0.00 H new ATOM 0 HB3 SER A 117 -15.602 -26.874 7.267 1.00 0.00 H new ATOM 0 HG SER A 117 -17.776 -26.985 6.470 1.00 0.00 H new ATOM 1734 N GLY A 118 -14.916 -24.200 4.609 1.00 0.00 N ATOM 1735 CA GLY A 118 -14.813 -22.761 4.765 1.00 0.00 C ATOM 1736 C GLY A 118 -15.075 -22.018 3.470 1.00 0.00 C ATOM 1737 O GLY A 118 -16.213 -21.950 3.004 1.00 0.00 O ATOM 0 H GLY A 118 -15.253 -24.509 3.697 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -15.524 -22.429 5.521 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -13.818 -22.508 5.130 1.00 0.00 H new TER 1741 GLY A 118