USER MOD reduce.3.24.130724 H: found=0, std=0, add=543, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 536 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 61 CYS SG : rot -123:sc= -0.765 USER MOD Set 1.2: A 64 CYS SG : rot -150:sc= 1.37 USER MOD Set 1.3: A 69 HIS :FLIP no HE2:sc= 1.06 F(o=-4.7!,f=0.72) USER MOD Set 1.4: A 73 CYS SG : rot -73:sc= -0.946 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc= -0.459 X(o=-0.46,f=-0.039) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 GLN : amide:sc= -0.249 K(o=-0.25,f=-2.3!) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=-0.0097) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.402 K(o=-0.4,f=-2.2!) USER MOD Single : A 13 GLN : amide:sc= -0.126 K(o=-0.13,f=-1.6!) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 CYS SG : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= -0.857 K(o=-0.86,f=-1.8!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.216 USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 TYR OH : rot -151:sc= 1.33 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -16.929 31.060 -36.272 1.00 34.34 N ATOM 2 CA GLY A 1 -15.693 30.360 -36.570 1.00 14.02 C ATOM 3 C GLY A 1 -14.742 31.194 -37.405 1.00 72.22 C ATOM 4 O GLY A 1 -13.569 31.342 -37.061 1.00 60.35 O ATOM 0 H1 GLY A 1 -17.545 30.448 -35.700 1.00 34.34 H new ATOM 0 H2 GLY A 1 -16.716 31.930 -35.743 1.00 34.34 H new ATOM 0 H3 GLY A 1 -17.412 31.304 -37.160 1.00 34.34 H new ATOM 0 HA2 GLY A 1 -15.203 30.081 -35.637 1.00 14.02 H new ATOM 0 HA3 GLY A 1 -15.921 29.435 -37.100 1.00 14.02 H new ATOM 8 N HIS A 2 -15.247 31.739 -38.507 1.00 55.30 N ATOM 9 CA HIS A 2 -14.434 32.562 -39.395 1.00 42.11 C ATOM 10 C HIS A 2 -14.853 34.027 -39.315 1.00 35.21 C ATOM 11 O HIS A 2 -16.032 34.336 -39.144 1.00 73.00 O ATOM 12 CB HIS A 2 -14.551 32.064 -40.836 1.00 2.11 C ATOM 13 CG HIS A 2 -14.396 30.581 -40.971 1.00 74.53 C ATOM 14 ND1 HIS A 2 -13.291 29.988 -41.545 1.00 13.11 N ATOM 15 CD2 HIS A 2 -15.215 29.568 -40.602 1.00 20.24 C ATOM 16 CE1 HIS A 2 -13.437 28.675 -41.524 1.00 15.31 C ATOM 17 NE2 HIS A 2 -14.596 28.394 -40.956 1.00 55.21 N ATOM 0 H HIS A 2 -16.215 31.626 -38.806 1.00 55.30 H new ATOM 0 HA HIS A 2 -13.395 32.482 -39.074 1.00 42.11 H new ATOM 0 HB2 HIS A 2 -15.522 32.357 -41.236 1.00 2.11 H new ATOM 0 HB3 HIS A 2 -13.793 32.557 -41.445 1.00 2.11 H new ATOM 0 HD2 HIS A 2 -16.176 29.665 -40.119 1.00 20.24 H new ATOM 0 HE1 HIS A 2 -12.729 27.954 -41.906 1.00 15.31 H new ATOM 0 HE2 HIS A 2 -14.970 27.457 -40.805 1.00 55.21 H new ATOM 25 N MET A 3 -13.881 34.924 -39.439 1.00 24.33 N ATOM 26 CA MET A 3 -14.150 36.356 -39.380 1.00 60.35 C ATOM 27 C MET A 3 -15.269 36.738 -40.344 1.00 31.11 C ATOM 28 O MET A 3 -16.185 37.477 -39.985 1.00 22.10 O ATOM 29 CB MET A 3 -12.884 37.148 -39.711 1.00 2.31 C ATOM 30 CG MET A 3 -12.906 38.575 -39.187 1.00 52.24 C ATOM 31 SD MET A 3 -11.581 38.904 -38.010 1.00 31.24 S ATOM 32 CE MET A 3 -11.330 40.659 -38.264 1.00 23.13 C ATOM 0 H MET A 3 -12.900 34.685 -39.581 1.00 24.33 H new ATOM 0 HA MET A 3 -14.468 36.600 -38.366 1.00 60.35 H new ATOM 0 HB2 MET A 3 -12.021 36.629 -39.293 1.00 2.31 H new ATOM 0 HB3 MET A 3 -12.750 37.169 -40.793 1.00 2.31 H new ATOM 0 HG2 MET A 3 -12.822 39.267 -40.025 1.00 52.24 H new ATOM 0 HG3 MET A 3 -13.867 38.768 -38.710 1.00 52.24 H new ATOM 0 HE1 MET A 3 -10.538 41.012 -37.604 1.00 23.13 H new ATOM 0 HE2 MET A 3 -11.046 40.840 -39.301 1.00 23.13 H new ATOM 0 HE3 MET A 3 -12.253 41.194 -38.042 1.00 23.13 H new ATOM 42 N GLY A 4 -15.188 36.229 -41.570 1.00 13.41 N ATOM 43 CA GLY A 4 -16.200 36.530 -42.566 1.00 35.54 C ATOM 44 C GLY A 4 -15.612 37.125 -43.829 1.00 51.22 C ATOM 45 O GLY A 4 -15.518 38.345 -43.962 1.00 31.20 O ATOM 0 H GLY A 4 -14.440 35.614 -41.891 1.00 13.41 H new ATOM 0 HA2 GLY A 4 -16.742 35.618 -42.816 1.00 35.54 H new ATOM 0 HA3 GLY A 4 -16.925 37.226 -42.144 1.00 35.54 H new ATOM 49 N GLU A 5 -15.214 36.262 -44.759 1.00 4.24 N ATOM 50 CA GLU A 5 -14.629 36.711 -46.017 1.00 3.44 C ATOM 51 C GLU A 5 -15.598 37.612 -46.777 1.00 34.24 C ATOM 52 O GLU A 5 -16.659 37.168 -47.215 1.00 32.15 O ATOM 53 CB GLU A 5 -14.244 35.511 -46.884 1.00 33.45 C ATOM 54 CG GLU A 5 -15.427 34.643 -47.280 1.00 22.42 C ATOM 55 CD GLU A 5 -15.078 33.168 -47.326 1.00 33.43 C ATOM 56 OE1 GLU A 5 -14.229 32.733 -46.521 1.00 24.33 O ATOM 57 OE2 GLU A 5 -15.656 32.448 -48.167 1.00 51.13 O ATOM 0 H GLU A 5 -15.286 35.249 -44.665 1.00 4.24 H new ATOM 0 HA GLU A 5 -13.732 37.285 -45.786 1.00 3.44 H new ATOM 0 HB2 GLU A 5 -13.749 35.869 -47.786 1.00 33.45 H new ATOM 0 HB3 GLU A 5 -13.520 34.900 -46.344 1.00 33.45 H new ATOM 0 HG2 GLU A 5 -16.240 34.798 -46.571 1.00 22.42 H new ATOM 0 HG3 GLU A 5 -15.792 34.957 -48.258 1.00 22.42 H new ATOM 64 N GLU A 6 -15.226 38.879 -46.928 1.00 64.21 N ATOM 65 CA GLU A 6 -16.063 39.842 -47.634 1.00 20.33 C ATOM 66 C GLU A 6 -15.261 41.083 -48.016 1.00 34.33 C ATOM 67 O GLU A 6 -14.109 41.238 -47.612 1.00 72.43 O ATOM 68 CB GLU A 6 -17.260 40.241 -46.768 1.00 70.31 C ATOM 69 CG GLU A 6 -18.542 39.508 -47.127 1.00 22.21 C ATOM 70 CD GLU A 6 -19.478 40.349 -47.972 1.00 41.43 C ATOM 71 OE1 GLU A 6 -19.475 41.587 -47.809 1.00 4.31 O ATOM 72 OE2 GLU A 6 -20.214 39.769 -48.798 1.00 1.21 O ATOM 0 H GLU A 6 -14.351 39.262 -46.571 1.00 64.21 H new ATOM 0 HA GLU A 6 -16.425 39.370 -48.547 1.00 20.33 H new ATOM 0 HB2 GLU A 6 -17.022 40.048 -45.722 1.00 70.31 H new ATOM 0 HB3 GLU A 6 -17.426 41.314 -46.864 1.00 70.31 H new ATOM 0 HG2 GLU A 6 -18.294 38.594 -47.666 1.00 22.21 H new ATOM 0 HG3 GLU A 6 -19.054 39.210 -46.212 1.00 22.21 H new ATOM 79 N GLN A 7 -15.880 41.963 -48.796 1.00 74.53 N ATOM 80 CA GLN A 7 -15.224 43.189 -49.234 1.00 74.00 C ATOM 81 C GLN A 7 -16.137 44.395 -49.037 1.00 32.30 C ATOM 82 O GLN A 7 -17.317 44.247 -48.718 1.00 12.11 O ATOM 83 CB GLN A 7 -14.817 43.078 -50.704 1.00 61.32 C ATOM 84 CG GLN A 7 -15.993 43.125 -51.667 1.00 4.33 C ATOM 85 CD GLN A 7 -16.219 41.806 -52.378 1.00 24.55 C ATOM 86 OE1 GLN A 7 -15.643 40.782 -52.008 1.00 60.41 O ATOM 87 NE2 GLN A 7 -17.061 41.822 -53.404 1.00 44.42 N ATOM 0 H GLN A 7 -16.834 41.850 -49.137 1.00 74.53 H new ATOM 0 HA GLN A 7 -14.330 43.329 -48.627 1.00 74.00 H new ATOM 0 HB2 GLN A 7 -14.129 43.889 -50.944 1.00 61.32 H new ATOM 0 HB3 GLN A 7 -14.274 42.145 -50.852 1.00 61.32 H new ATOM 0 HG2 GLN A 7 -16.895 43.397 -51.119 1.00 4.33 H new ATOM 0 HG3 GLN A 7 -15.821 43.907 -52.407 1.00 4.33 H new ATOM 0 HE21 GLN A 7 -17.516 42.693 -53.676 1.00 44.42 H new ATOM 0 HE22 GLN A 7 -17.253 40.963 -53.920 1.00 44.42 H new ATOM 96 N TYR A 8 -15.584 45.587 -49.229 1.00 23.14 N ATOM 97 CA TYR A 8 -16.347 46.819 -49.069 1.00 74.32 C ATOM 98 C TYR A 8 -16.646 47.453 -50.424 1.00 15.51 C ATOM 99 O TYR A 8 -15.736 47.840 -51.155 1.00 41.21 O ATOM 100 CB TYR A 8 -15.582 47.807 -48.188 1.00 12.50 C ATOM 101 CG TYR A 8 -14.084 47.762 -48.386 1.00 60.44 C ATOM 102 CD1 TYR A 8 -13.484 48.424 -49.450 1.00 40.14 C ATOM 103 CD2 TYR A 8 -13.269 47.055 -47.511 1.00 5.30 C ATOM 104 CE1 TYR A 8 -12.116 48.385 -49.636 1.00 64.52 C ATOM 105 CE2 TYR A 8 -11.899 47.012 -47.688 1.00 72.52 C ATOM 106 CZ TYR A 8 -11.328 47.677 -48.752 1.00 45.43 C ATOM 107 OH TYR A 8 -9.964 47.635 -48.933 1.00 51.01 O ATOM 0 H TYR A 8 -14.609 45.726 -49.496 1.00 23.14 H new ATOM 0 HA TYR A 8 -17.293 46.571 -48.587 1.00 74.32 H new ATOM 0 HB2 TYR A 8 -15.937 48.816 -48.396 1.00 12.50 H new ATOM 0 HB3 TYR A 8 -15.808 47.599 -47.142 1.00 12.50 H new ATOM 0 HD1 TYR A 8 -14.098 48.979 -50.144 1.00 40.14 H new ATOM 0 HD2 TYR A 8 -13.713 46.530 -46.678 1.00 5.30 H new ATOM 0 HE1 TYR A 8 -11.666 48.906 -50.468 1.00 64.52 H new ATOM 0 HE2 TYR A 8 -11.279 46.460 -46.997 1.00 72.52 H new ATOM 0 HH TYR A 8 -9.556 47.096 -48.223 1.00 51.01 H new ATOM 117 N ASN A 9 -17.931 47.557 -50.751 1.00 4.44 N ATOM 118 CA ASN A 9 -18.352 48.145 -52.017 1.00 42.31 C ATOM 119 C ASN A 9 -19.086 49.463 -51.788 1.00 34.42 C ATOM 120 O ASN A 9 -18.931 50.413 -52.554 1.00 43.51 O ATOM 121 CB ASN A 9 -19.253 47.172 -52.780 1.00 43.23 C ATOM 122 CG ASN A 9 -18.787 46.951 -54.207 1.00 33.25 C ATOM 123 OD1 ASN A 9 -18.566 47.904 -54.954 1.00 73.31 O ATOM 124 ND2 ASN A 9 -18.637 45.689 -54.590 1.00 63.53 N ATOM 0 H ASN A 9 -18.698 47.242 -50.157 1.00 4.44 H new ATOM 0 HA ASN A 9 -17.460 48.345 -52.610 1.00 42.31 H new ATOM 0 HB2 ASN A 9 -19.277 46.216 -52.256 1.00 43.23 H new ATOM 0 HB3 ASN A 9 -20.273 47.556 -52.789 1.00 43.23 H new ATOM 0 HD21 ASN A 9 -18.327 45.477 -55.538 1.00 63.53 H new ATOM 0 HD22 ASN A 9 -18.832 44.931 -53.936 1.00 63.53 H new ATOM 131 N ARG A 10 -19.887 49.511 -50.728 1.00 24.23 N ATOM 132 CA ARG A 10 -20.646 50.711 -50.398 1.00 23.15 C ATOM 133 C ARG A 10 -19.713 51.889 -50.133 1.00 24.10 C ATOM 134 O ARG A 10 -18.940 51.879 -49.175 1.00 23.44 O ATOM 135 CB ARG A 10 -21.529 50.461 -49.173 1.00 64.14 C ATOM 136 CG ARG A 10 -22.974 50.145 -49.520 1.00 34.24 C ATOM 137 CD ARG A 10 -23.143 48.691 -49.932 1.00 73.11 C ATOM 138 NE ARG A 10 -24.161 48.011 -49.136 1.00 31.34 N ATOM 139 CZ ARG A 10 -25.461 48.066 -49.402 1.00 73.25 C ATOM 140 NH1 ARG A 10 -25.899 48.765 -50.440 1.00 14.50 N ATOM 141 NH2 ARG A 10 -26.326 47.420 -48.631 1.00 31.41 N ATOM 0 H ARG A 10 -20.027 48.733 -50.084 1.00 24.23 H new ATOM 0 HA ARG A 10 -21.279 50.956 -51.251 1.00 23.15 H new ATOM 0 HB2 ARG A 10 -21.113 49.634 -48.598 1.00 64.14 H new ATOM 0 HB3 ARG A 10 -21.502 51.341 -48.530 1.00 64.14 H new ATOM 0 HG2 ARG A 10 -23.610 50.357 -48.661 1.00 34.24 H new ATOM 0 HG3 ARG A 10 -23.305 50.795 -50.330 1.00 34.24 H new ATOM 0 HD2 ARG A 10 -23.415 48.642 -50.986 1.00 73.11 H new ATOM 0 HD3 ARG A 10 -22.191 48.171 -49.824 1.00 73.11 H new ATOM 0 HE ARG A 10 -23.857 47.463 -48.331 1.00 31.34 H new ATOM 0 HH11 ARG A 10 -25.237 49.262 -51.036 1.00 14.50 H new ATOM 0 HH12 ARG A 10 -26.898 48.806 -50.642 1.00 14.50 H new ATOM 0 HH21 ARG A 10 -25.993 46.880 -47.832 1.00 31.41 H new ATOM 0 HH22 ARG A 10 -27.324 47.463 -48.837 1.00 31.41 H new ATOM 155 N TYR A 11 -19.790 52.902 -50.989 1.00 30.23 N ATOM 156 CA TYR A 11 -18.951 54.086 -50.849 1.00 64.15 C ATOM 157 C TYR A 11 -19.629 55.134 -49.973 1.00 2.50 C ATOM 158 O TYR A 11 -20.794 54.991 -49.605 1.00 55.14 O ATOM 159 CB TYR A 11 -18.637 54.679 -52.224 1.00 54.30 C ATOM 160 CG TYR A 11 -17.185 54.546 -52.624 1.00 54.34 C ATOM 161 CD1 TYR A 11 -16.182 55.167 -51.891 1.00 32.25 C ATOM 162 CD2 TYR A 11 -16.817 53.799 -53.736 1.00 61.04 C ATOM 163 CE1 TYR A 11 -14.855 55.049 -52.253 1.00 65.43 C ATOM 164 CE2 TYR A 11 -15.492 53.674 -54.106 1.00 25.03 C ATOM 165 CZ TYR A 11 -14.514 54.301 -53.361 1.00 52.03 C ATOM 166 OH TYR A 11 -13.193 54.180 -53.725 1.00 64.41 O ATOM 0 H TYR A 11 -20.425 52.927 -51.787 1.00 30.23 H new ATOM 0 HA TYR A 11 -18.020 53.786 -50.369 1.00 64.15 H new ATOM 0 HB2 TYR A 11 -19.258 54.187 -52.973 1.00 54.30 H new ATOM 0 HB3 TYR A 11 -18.911 55.734 -52.226 1.00 54.30 H new ATOM 0 HD1 TYR A 11 -16.445 55.753 -51.022 1.00 32.25 H new ATOM 0 HD2 TYR A 11 -17.580 53.308 -54.321 1.00 61.04 H new ATOM 0 HE1 TYR A 11 -14.088 55.540 -51.672 1.00 65.43 H new ATOM 0 HE2 TYR A 11 -15.223 53.089 -54.973 1.00 25.03 H new ATOM 0 HH TYR A 11 -13.124 53.620 -54.526 1.00 64.41 H new ATOM 176 N GLN A 12 -18.889 56.188 -49.643 1.00 53.42 N ATOM 177 CA GLN A 12 -19.418 57.262 -48.810 1.00 35.30 C ATOM 178 C GLN A 12 -19.798 56.741 -47.428 1.00 32.03 C ATOM 179 O GLN A 12 -20.835 57.112 -46.878 1.00 42.22 O ATOM 180 CB GLN A 12 -20.636 57.902 -49.479 1.00 10.11 C ATOM 181 CG GLN A 12 -20.294 58.709 -50.721 1.00 5.33 C ATOM 182 CD GLN A 12 -19.604 60.019 -50.393 1.00 53.34 C ATOM 183 OE1 GLN A 12 -18.474 60.034 -49.904 1.00 55.30 O ATOM 184 NE2 GLN A 12 -20.282 61.129 -50.663 1.00 34.32 N ATOM 0 H GLN A 12 -17.922 56.321 -49.939 1.00 53.42 H new ATOM 0 HA GLN A 12 -18.639 58.015 -48.693 1.00 35.30 H new ATOM 0 HB2 GLN A 12 -21.345 57.119 -49.748 1.00 10.11 H new ATOM 0 HB3 GLN A 12 -21.136 58.551 -48.760 1.00 10.11 H new ATOM 0 HG2 GLN A 12 -19.650 58.115 -51.369 1.00 5.33 H new ATOM 0 HG3 GLN A 12 -21.207 58.913 -51.280 1.00 5.33 H new ATOM 0 HE21 GLN A 12 -21.216 61.070 -51.068 1.00 34.32 H new ATOM 0 HE22 GLN A 12 -19.868 62.040 -50.465 1.00 34.32 H new ATOM 193 N GLN A 13 -18.952 55.879 -46.872 1.00 51.44 N ATOM 194 CA GLN A 13 -19.201 55.307 -45.554 1.00 45.25 C ATOM 195 C GLN A 13 -19.295 56.401 -44.495 1.00 71.54 C ATOM 196 O GLN A 13 -18.722 57.479 -44.650 1.00 15.52 O ATOM 197 CB GLN A 13 -18.092 54.319 -45.187 1.00 11.20 C ATOM 198 CG GLN A 13 -17.803 54.256 -43.696 1.00 2.41 C ATOM 199 CD GLN A 13 -16.505 53.538 -43.383 1.00 33.41 C ATOM 200 OE1 GLN A 13 -15.736 53.201 -44.283 1.00 62.04 O ATOM 201 NE2 GLN A 13 -16.255 53.298 -42.101 1.00 11.31 N ATOM 0 H GLN A 13 -18.089 55.562 -47.314 1.00 51.44 H new ATOM 0 HA GLN A 13 -20.153 54.778 -45.588 1.00 45.25 H new ATOM 0 HB2 GLN A 13 -18.372 53.325 -45.537 1.00 11.20 H new ATOM 0 HB3 GLN A 13 -17.180 54.597 -45.714 1.00 11.20 H new ATOM 0 HG2 GLN A 13 -17.759 55.269 -43.295 1.00 2.41 H new ATOM 0 HG3 GLN A 13 -18.625 53.749 -43.192 1.00 2.41 H new ATOM 0 HE21 GLN A 13 -16.920 53.595 -41.387 1.00 11.31 H new ATOM 0 HE22 GLN A 13 -15.398 52.817 -41.830 1.00 11.31 H new ATOM 210 N TYR A 14 -20.021 56.115 -43.421 1.00 34.44 N ATOM 211 CA TYR A 14 -20.193 57.075 -42.337 1.00 33.22 C ATOM 212 C TYR A 14 -19.555 56.563 -41.049 1.00 60.01 C ATOM 213 O TYR A 14 -18.968 57.329 -40.286 1.00 54.42 O ATOM 214 CB TYR A 14 -21.679 57.355 -42.106 1.00 73.33 C ATOM 215 CG TYR A 14 -22.021 58.827 -42.077 1.00 4.43 C ATOM 216 CD1 TYR A 14 -21.622 59.674 -43.104 1.00 31.03 C ATOM 217 CD2 TYR A 14 -22.743 59.372 -41.022 1.00 22.12 C ATOM 218 CE1 TYR A 14 -21.931 61.020 -43.080 1.00 51.12 C ATOM 219 CE2 TYR A 14 -23.058 60.717 -40.991 1.00 24.33 C ATOM 220 CZ TYR A 14 -22.649 61.537 -42.022 1.00 32.32 C ATOM 221 OH TYR A 14 -22.960 62.877 -41.995 1.00 72.14 O ATOM 0 H TYR A 14 -20.500 55.226 -43.277 1.00 34.44 H new ATOM 0 HA TYR A 14 -19.696 58.001 -42.625 1.00 33.22 H new ATOM 0 HB2 TYR A 14 -22.258 56.872 -42.893 1.00 73.33 H new ATOM 0 HB3 TYR A 14 -21.983 56.901 -41.163 1.00 73.33 H new ATOM 0 HD1 TYR A 14 -21.061 59.273 -43.935 1.00 31.03 H new ATOM 0 HD2 TYR A 14 -23.063 58.733 -40.212 1.00 22.12 H new ATOM 0 HE1 TYR A 14 -21.612 61.664 -43.886 1.00 51.12 H new ATOM 0 HE2 TYR A 14 -23.621 61.124 -40.164 1.00 24.33 H new ATOM 0 HH TYR A 14 -23.470 63.078 -41.182 1.00 72.14 H new ATOM 231 N GLY A 15 -19.674 55.260 -40.815 1.00 21.53 N ATOM 232 CA GLY A 15 -19.104 54.666 -39.619 1.00 62.25 C ATOM 233 C GLY A 15 -20.022 53.639 -38.987 1.00 55.14 C ATOM 234 O GLY A 15 -19.626 52.496 -38.764 1.00 72.45 O ATOM 0 H GLY A 15 -20.155 54.605 -41.432 1.00 21.53 H new ATOM 0 HA2 GLY A 15 -18.154 54.194 -39.869 1.00 62.25 H new ATOM 0 HA3 GLY A 15 -18.889 55.451 -38.894 1.00 62.25 H new ATOM 238 N ALA A 16 -21.253 54.048 -38.696 1.00 50.03 N ATOM 239 CA ALA A 16 -22.230 53.155 -38.086 1.00 55.23 C ATOM 240 C ALA A 16 -23.558 53.202 -38.834 1.00 75.33 C ATOM 241 O ALA A 16 -24.083 54.278 -39.119 1.00 62.22 O ATOM 242 CB ALA A 16 -22.434 53.517 -36.622 1.00 71.34 C ATOM 0 H ALA A 16 -21.597 54.992 -38.873 1.00 50.03 H new ATOM 0 HA ALA A 16 -21.844 52.138 -38.147 1.00 55.23 H new ATOM 0 HB1 ALA A 16 -23.166 52.842 -36.179 1.00 71.34 H new ATOM 0 HB2 ALA A 16 -21.487 53.426 -36.089 1.00 71.34 H new ATOM 0 HB3 ALA A 16 -22.795 54.543 -36.548 1.00 71.34 H new ATOM 248 N GLU A 17 -24.096 52.028 -39.150 1.00 32.41 N ATOM 249 CA GLU A 17 -25.363 51.936 -39.867 1.00 2.23 C ATOM 250 C GLU A 17 -26.438 51.297 -38.993 1.00 23.55 C ATOM 251 O GLU A 17 -26.299 50.154 -38.557 1.00 62.04 O ATOM 252 CB GLU A 17 -25.189 51.127 -41.154 1.00 3.32 C ATOM 253 CG GLU A 17 -25.738 51.822 -42.388 1.00 40.23 C ATOM 254 CD GLU A 17 -24.792 51.744 -43.571 1.00 53.01 C ATOM 255 OE1 GLU A 17 -23.994 50.786 -43.631 1.00 2.03 O ATOM 256 OE2 GLU A 17 -24.852 52.642 -44.438 1.00 24.35 O ATOM 0 H GLU A 17 -23.675 51.128 -38.921 1.00 32.41 H new ATOM 0 HA GLU A 17 -25.680 52.947 -40.122 1.00 2.23 H new ATOM 0 HB2 GLU A 17 -24.129 50.922 -41.304 1.00 3.32 H new ATOM 0 HB3 GLU A 17 -25.686 50.164 -41.038 1.00 3.32 H new ATOM 0 HG2 GLU A 17 -26.692 51.371 -42.660 1.00 40.23 H new ATOM 0 HG3 GLU A 17 -25.935 52.868 -42.154 1.00 40.23 H new ATOM 263 N GLU A 18 -27.508 52.043 -38.740 1.00 34.10 N ATOM 264 CA GLU A 18 -28.606 51.549 -37.917 1.00 10.23 C ATOM 265 C GLU A 18 -29.453 50.540 -38.687 1.00 41.33 C ATOM 266 O GLU A 18 -30.192 50.905 -39.603 1.00 24.11 O ATOM 267 CB GLU A 18 -29.482 52.712 -37.445 1.00 22.34 C ATOM 268 CG GLU A 18 -28.817 53.588 -36.396 1.00 61.13 C ATOM 269 CD GLU A 18 -29.613 54.843 -36.095 1.00 45.23 C ATOM 270 OE1 GLU A 18 -29.866 55.624 -37.037 1.00 31.05 O ATOM 271 OE2 GLU A 18 -29.981 55.045 -34.920 1.00 33.15 O ATOM 0 H GLU A 18 -27.638 52.991 -39.093 1.00 34.10 H new ATOM 0 HA GLU A 18 -28.178 51.049 -37.048 1.00 10.23 H new ATOM 0 HB2 GLU A 18 -29.748 53.327 -38.304 1.00 22.34 H new ATOM 0 HB3 GLU A 18 -30.411 52.314 -37.038 1.00 22.34 H new ATOM 0 HG2 GLU A 18 -28.688 53.015 -35.478 1.00 61.13 H new ATOM 0 HG3 GLU A 18 -27.821 53.867 -36.740 1.00 61.13 H new ATOM 278 N CYS A 19 -29.340 49.272 -38.310 1.00 65.34 N ATOM 279 CA CYS A 19 -30.093 48.209 -38.966 1.00 73.13 C ATOM 280 C CYS A 19 -30.909 47.415 -37.951 1.00 62.33 C ATOM 281 O CYS A 19 -30.372 46.577 -37.226 1.00 43.13 O ATOM 282 CB CYS A 19 -29.146 47.275 -39.721 1.00 74.30 C ATOM 283 SG CYS A 19 -29.813 46.652 -41.282 1.00 41.12 S ATOM 0 H CYS A 19 -28.734 48.954 -37.553 1.00 65.34 H new ATOM 0 HA CYS A 19 -30.780 48.669 -39.677 1.00 73.13 H new ATOM 0 HB2 CYS A 19 -28.214 47.804 -39.922 1.00 74.30 H new ATOM 0 HB3 CYS A 19 -28.900 46.429 -39.080 1.00 74.30 H new ATOM 0 HG CYS A 19 -28.939 45.873 -41.847 1.00 41.12 H new ATOM 289 N VAL A 20 -32.210 47.685 -37.904 1.00 25.34 N ATOM 290 CA VAL A 20 -33.100 46.996 -36.977 1.00 22.10 C ATOM 291 C VAL A 20 -32.580 47.084 -35.547 1.00 4.43 C ATOM 292 O VAL A 20 -32.522 46.083 -34.832 1.00 73.20 O ATOM 293 CB VAL A 20 -33.270 45.513 -37.359 1.00 3.50 C ATOM 294 CG1 VAL A 20 -34.298 44.845 -36.460 1.00 33.42 C ATOM 295 CG2 VAL A 20 -33.664 45.383 -38.822 1.00 65.45 C ATOM 0 H VAL A 20 -32.671 48.376 -38.497 1.00 25.34 H new ATOM 0 HA VAL A 20 -34.068 47.493 -37.040 1.00 22.10 H new ATOM 0 HB VAL A 20 -32.315 45.007 -37.217 1.00 3.50 H new ATOM 0 HG11 VAL A 20 -34.405 43.798 -36.745 1.00 33.42 H new ATOM 0 HG12 VAL A 20 -33.969 44.907 -35.423 1.00 33.42 H new ATOM 0 HG13 VAL A 20 -35.258 45.350 -36.567 1.00 33.42 H new ATOM 0 HG21 VAL A 20 -33.780 44.329 -39.075 1.00 65.45 H new ATOM 0 HG22 VAL A 20 -34.607 45.903 -38.993 1.00 65.45 H new ATOM 0 HG23 VAL A 20 -32.888 45.823 -39.448 1.00 65.45 H new ATOM 305 N LEU A 21 -32.202 48.289 -35.134 1.00 45.22 N ATOM 306 CA LEU A 21 -31.686 48.510 -33.787 1.00 62.15 C ATOM 307 C LEU A 21 -32.824 48.594 -32.776 1.00 11.44 C ATOM 308 O LEU A 21 -33.938 48.995 -33.113 1.00 22.31 O ATOM 309 CB LEU A 21 -30.852 49.792 -33.743 1.00 74.20 C ATOM 310 CG LEU A 21 -29.338 49.612 -33.857 1.00 12.21 C ATOM 311 CD1 LEU A 21 -28.648 50.962 -33.977 1.00 10.15 C ATOM 312 CD2 LEU A 21 -28.801 48.841 -32.660 1.00 71.32 C ATOM 0 H LEU A 21 -32.243 49.128 -35.712 1.00 45.22 H new ATOM 0 HA LEU A 21 -31.052 47.663 -33.523 1.00 62.15 H new ATOM 0 HB2 LEU A 21 -31.182 50.444 -34.552 1.00 74.20 H new ATOM 0 HB3 LEU A 21 -31.067 50.310 -32.808 1.00 74.20 H new ATOM 0 HG LEU A 21 -29.126 49.037 -34.759 1.00 12.21 H new ATOM 0 HD11 LEU A 21 -27.571 50.814 -34.057 1.00 10.15 H new ATOM 0 HD12 LEU A 21 -29.011 51.478 -34.866 1.00 10.15 H new ATOM 0 HD13 LEU A 21 -28.867 51.562 -33.094 1.00 10.15 H new ATOM 0 HD21 LEU A 21 -27.722 48.722 -32.758 1.00 71.32 H new ATOM 0 HD22 LEU A 21 -29.024 49.389 -31.744 1.00 71.32 H new ATOM 0 HD23 LEU A 21 -29.272 47.859 -32.619 1.00 71.32 H new ATOM 324 N GLN A 22 -32.535 48.217 -31.535 1.00 21.35 N ATOM 325 CA GLN A 22 -33.534 48.252 -30.473 1.00 74.45 C ATOM 326 C GLN A 22 -33.455 49.560 -29.694 1.00 14.11 C ATOM 327 O GLN A 22 -34.412 50.334 -29.663 1.00 45.14 O ATOM 328 CB GLN A 22 -33.344 47.067 -29.525 1.00 64.20 C ATOM 329 CG GLN A 22 -33.655 45.722 -30.161 1.00 64.25 C ATOM 330 CD GLN A 22 -34.202 44.718 -29.166 1.00 63.32 C ATOM 331 OE1 GLN A 22 -33.562 44.412 -28.160 1.00 4.14 O ATOM 332 NE2 GLN A 22 -35.392 44.198 -29.442 1.00 51.24 N ATOM 0 H GLN A 22 -31.617 47.884 -31.240 1.00 21.35 H new ATOM 0 HA GLN A 22 -34.519 48.184 -30.934 1.00 74.45 H new ATOM 0 HB2 GLN A 22 -32.315 47.061 -29.167 1.00 64.20 H new ATOM 0 HB3 GLN A 22 -33.984 47.204 -28.653 1.00 64.20 H new ATOM 0 HG2 GLN A 22 -34.378 45.863 -30.964 1.00 64.25 H new ATOM 0 HG3 GLN A 22 -32.749 45.321 -30.615 1.00 64.25 H new ATOM 0 HE21 GLN A 22 -35.888 44.480 -30.287 1.00 51.24 H new ATOM 0 HE22 GLN A 22 -35.810 43.517 -28.809 1.00 51.24 H new ATOM 341 N MET A 23 -32.310 49.800 -29.065 1.00 25.02 N ATOM 342 CA MET A 23 -32.106 51.016 -28.286 1.00 30.34 C ATOM 343 C MET A 23 -31.359 52.066 -29.102 1.00 23.34 C ATOM 344 O MET A 23 -31.549 53.266 -28.910 1.00 32.11 O ATOM 345 CB MET A 23 -31.331 50.702 -27.004 1.00 51.13 C ATOM 346 CG MET A 23 -29.850 50.452 -27.236 1.00 4.52 C ATOM 347 SD MET A 23 -29.505 48.766 -27.771 1.00 62.42 S ATOM 348 CE MET A 23 -27.972 49.002 -28.668 1.00 34.52 C ATOM 0 H MET A 23 -31.509 49.169 -29.079 1.00 25.02 H new ATOM 0 HA MET A 23 -33.085 51.417 -28.021 1.00 30.34 H new ATOM 0 HB2 MET A 23 -31.446 51.532 -26.307 1.00 51.13 H new ATOM 0 HB3 MET A 23 -31.770 49.824 -26.530 1.00 51.13 H new ATOM 0 HG2 MET A 23 -29.481 51.150 -27.988 1.00 4.52 H new ATOM 0 HG3 MET A 23 -29.303 50.656 -26.316 1.00 4.52 H new ATOM 0 HE1 MET A 23 -27.630 48.045 -29.062 1.00 34.52 H new ATOM 0 HE2 MET A 23 -28.136 49.696 -29.493 1.00 34.52 H new ATOM 0 HE3 MET A 23 -27.216 49.409 -27.996 1.00 34.52 H new ATOM 358 N GLY A 24 -30.507 51.605 -30.013 1.00 22.03 N ATOM 359 CA GLY A 24 -29.744 52.518 -30.843 1.00 64.14 C ATOM 360 C GLY A 24 -30.609 53.593 -31.470 1.00 12.35 C ATOM 361 O GLY A 24 -31.318 53.341 -32.443 1.00 33.14 O ATOM 0 H GLY A 24 -30.332 50.616 -30.191 1.00 22.03 H new ATOM 0 HA2 GLY A 24 -28.966 52.987 -30.241 1.00 64.14 H new ATOM 0 HA3 GLY A 24 -29.242 51.955 -31.630 1.00 64.14 H new ATOM 365 N GLY A 25 -30.553 54.798 -30.909 1.00 23.43 N ATOM 366 CA GLY A 25 -31.344 55.897 -31.430 1.00 62.34 C ATOM 367 C GLY A 25 -32.582 56.166 -30.598 1.00 44.40 C ATOM 368 O GLY A 25 -33.508 55.356 -30.570 1.00 13.53 O ATOM 0 H GLY A 25 -29.974 55.032 -30.103 1.00 23.43 H new ATOM 0 HA2 GLY A 25 -30.731 56.797 -31.465 1.00 62.34 H new ATOM 0 HA3 GLY A 25 -31.640 55.673 -32.455 1.00 62.34 H new ATOM 372 N VAL A 26 -32.597 57.308 -29.916 1.00 75.44 N ATOM 373 CA VAL A 26 -33.731 57.682 -29.079 1.00 25.14 C ATOM 374 C VAL A 26 -33.891 59.197 -29.017 1.00 34.44 C ATOM 375 O VAL A 26 -32.907 59.937 -29.016 1.00 50.14 O ATOM 376 CB VAL A 26 -33.575 57.134 -27.647 1.00 54.14 C ATOM 377 CG1 VAL A 26 -33.469 55.617 -27.665 1.00 21.21 C ATOM 378 CG2 VAL A 26 -32.364 57.754 -26.968 1.00 45.15 C ATOM 0 H VAL A 26 -31.838 57.989 -29.927 1.00 75.44 H new ATOM 0 HA VAL A 26 -34.620 57.244 -29.533 1.00 25.14 H new ATOM 0 HB VAL A 26 -34.462 57.405 -27.074 1.00 54.14 H new ATOM 0 HG11 VAL A 26 -33.359 55.248 -26.645 1.00 21.21 H new ATOM 0 HG12 VAL A 26 -34.370 55.195 -28.109 1.00 21.21 H new ATOM 0 HG13 VAL A 26 -32.601 55.320 -28.254 1.00 21.21 H new ATOM 0 HG21 VAL A 26 -32.269 57.355 -25.958 1.00 45.15 H new ATOM 0 HG22 VAL A 26 -31.466 57.516 -27.538 1.00 45.15 H new ATOM 0 HG23 VAL A 26 -32.487 58.836 -26.921 1.00 45.15 H new ATOM 388 N LEU A 27 -35.138 59.652 -28.963 1.00 72.24 N ATOM 389 CA LEU A 27 -35.429 61.080 -28.900 1.00 74.13 C ATOM 390 C LEU A 27 -36.479 61.375 -27.834 1.00 75.10 C ATOM 391 O LEU A 27 -37.175 60.456 -27.404 1.00 10.35 O ATOM 392 CB LEU A 27 -35.913 61.582 -30.262 1.00 12.54 C ATOM 393 CG LEU A 27 -37.088 60.823 -30.879 1.00 31.13 C ATOM 394 CD1 LEU A 27 -38.403 61.511 -30.546 1.00 3.25 C ATOM 395 CD2 LEU A 27 -36.913 60.703 -32.386 1.00 14.44 C ATOM 0 H LEU A 27 -35.964 59.053 -28.962 1.00 72.24 H new ATOM 0 HA LEU A 27 -34.510 61.602 -28.633 1.00 74.13 H new ATOM 0 HB2 LEU A 27 -36.196 62.630 -30.161 1.00 12.54 H new ATOM 0 HB3 LEU A 27 -35.076 61.544 -30.959 1.00 12.54 H new ATOM 0 HG LEU A 27 -37.110 59.819 -30.455 1.00 31.13 H new ATOM 0 HD11 LEU A 27 -39.228 60.956 -30.994 1.00 3.25 H new ATOM 0 HD12 LEU A 27 -38.533 61.544 -29.464 1.00 3.25 H new ATOM 0 HD13 LEU A 27 -38.392 62.527 -30.941 1.00 3.25 H new ATOM 0 HD21 LEU A 27 -37.758 60.160 -32.808 1.00 14.44 H new ATOM 0 HD22 LEU A 27 -36.864 61.699 -32.827 1.00 14.44 H new ATOM 0 HD23 LEU A 27 -35.991 60.164 -32.603 1.00 14.44 H new ATOM 407 N CYS A 28 -36.572 62.636 -27.437 1.00 61.33 N ATOM 408 CA CYS A 28 -37.538 63.034 -26.428 1.00 74.30 C ATOM 409 C CYS A 28 -38.872 63.312 -27.124 1.00 14.03 C ATOM 410 O CYS A 28 -38.994 64.141 -28.026 1.00 21.11 O ATOM 411 CB CYS A 28 -37.052 64.241 -25.623 1.00 64.44 C ATOM 412 SG CYS A 28 -37.197 63.898 -23.832 1.00 12.24 S ATOM 0 H CYS A 28 -35.994 63.395 -27.796 1.00 61.33 H new ATOM 0 HA CYS A 28 -37.666 62.227 -25.706 1.00 74.30 H new ATOM 0 HB2 CYS A 28 -36.016 64.464 -25.876 1.00 64.44 H new ATOM 0 HB3 CYS A 28 -37.640 65.122 -25.882 1.00 64.44 H new ATOM 417 N PRO A 29 -39.907 62.584 -26.678 1.00 21.02 N ATOM 418 CA PRO A 29 -41.261 62.715 -27.224 1.00 62.34 C ATOM 419 C PRO A 29 -41.910 64.044 -26.854 1.00 22.22 C ATOM 420 O PRO A 29 -42.944 64.416 -27.408 1.00 42.45 O ATOM 421 CB PRO A 29 -42.018 61.551 -26.579 1.00 2.52 C ATOM 422 CG PRO A 29 -41.278 61.273 -25.316 1.00 35.12 C ATOM 423 CD PRO A 29 -39.835 61.578 -25.605 1.00 63.43 C ATOM 0 HA PRO A 29 -41.265 62.692 -28.314 1.00 62.34 H new ATOM 0 HB2 PRO A 29 -43.056 61.816 -26.380 1.00 2.52 H new ATOM 0 HB3 PRO A 29 -42.031 60.677 -27.231 1.00 2.52 H new ATOM 0 HG2 PRO A 29 -41.652 61.892 -24.501 1.00 35.12 H new ATOM 0 HG3 PRO A 29 -41.404 60.234 -25.011 1.00 35.12 H new ATOM 0 HD2 PRO A 29 -39.322 61.965 -24.725 1.00 63.43 H new ATOM 0 HD3 PRO A 29 -39.292 60.688 -25.924 1.00 63.43 H new ATOM 431 N ARG A 30 -41.296 64.755 -25.913 1.00 72.25 N ATOM 432 CA ARG A 30 -41.815 66.042 -25.469 1.00 13.54 C ATOM 433 C ARG A 30 -41.894 67.028 -26.631 1.00 4.01 C ATOM 434 O ARG A 30 -40.994 67.112 -27.468 1.00 33.34 O ATOM 435 CB ARG A 30 -40.933 66.616 -24.358 1.00 71.02 C ATOM 436 CG ARG A 30 -41.306 66.125 -22.969 1.00 71.30 C ATOM 437 CD ARG A 30 -40.950 64.658 -22.783 1.00 14.03 C ATOM 438 NE ARG A 30 -42.139 63.813 -22.702 1.00 65.45 N ATOM 439 CZ ARG A 30 -42.872 63.679 -21.603 1.00 73.43 C ATOM 440 NH1 ARG A 30 -42.542 64.332 -20.498 1.00 24.42 N ATOM 441 NH2 ARG A 30 -43.940 62.891 -21.609 1.00 22.53 N ATOM 0 H ARG A 30 -40.439 64.461 -25.444 1.00 72.25 H new ATOM 0 HA ARG A 30 -42.821 65.884 -25.080 1.00 13.54 H new ATOM 0 HB2 ARG A 30 -39.894 66.355 -24.559 1.00 71.02 H new ATOM 0 HB3 ARG A 30 -40.998 67.704 -24.379 1.00 71.02 H new ATOM 0 HG2 ARG A 30 -40.789 66.724 -22.219 1.00 71.30 H new ATOM 0 HG3 ARG A 30 -42.375 66.265 -22.807 1.00 71.30 H new ATOM 0 HD2 ARG A 30 -40.326 64.328 -23.614 1.00 14.03 H new ATOM 0 HD3 ARG A 30 -40.359 64.541 -21.875 1.00 14.03 H new ATOM 0 HE ARG A 30 -42.422 63.298 -23.536 1.00 65.45 H new ATOM 0 HH11 ARG A 30 -41.723 64.940 -20.490 1.00 24.42 H new ATOM 0 HH12 ARG A 30 -43.107 64.227 -19.655 1.00 24.42 H new ATOM 0 HH21 ARG A 30 -44.198 62.388 -22.458 1.00 22.53 H new ATOM 0 HH22 ARG A 30 -44.503 62.788 -20.765 1.00 22.53 H new ATOM 455 N PRO A 31 -42.995 67.792 -26.686 1.00 5.31 N ATOM 456 CA PRO A 31 -43.217 68.786 -27.741 1.00 23.42 C ATOM 457 C PRO A 31 -42.275 69.979 -27.621 1.00 12.12 C ATOM 458 O PRO A 31 -42.596 70.972 -26.970 1.00 12.34 O ATOM 459 CB PRO A 31 -44.666 69.223 -27.516 1.00 52.24 C ATOM 460 CG PRO A 31 -44.922 68.960 -26.073 1.00 32.14 C ATOM 461 CD PRO A 31 -44.107 67.746 -25.722 1.00 61.12 C ATOM 0 HA PRO A 31 -43.030 68.376 -28.734 1.00 23.42 H new ATOM 0 HB2 PRO A 31 -44.803 70.277 -27.757 1.00 52.24 H new ATOM 0 HB3 PRO A 31 -45.352 68.660 -28.149 1.00 52.24 H new ATOM 0 HG2 PRO A 31 -44.631 69.815 -25.463 1.00 32.14 H new ATOM 0 HG3 PRO A 31 -45.982 68.784 -25.890 1.00 32.14 H new ATOM 0 HD2 PRO A 31 -43.749 67.786 -24.693 1.00 61.12 H new ATOM 0 HD3 PRO A 31 -44.688 66.829 -25.822 1.00 61.12 H new ATOM 469 N GLY A 32 -41.111 69.875 -28.254 1.00 63.23 N ATOM 470 CA GLY A 32 -40.141 70.953 -28.206 1.00 2.21 C ATOM 471 C GLY A 32 -38.766 70.478 -27.781 1.00 22.53 C ATOM 472 O GLY A 32 -37.788 70.790 -28.459 1.00 20.34 O ATOM 0 H GLY A 32 -40.822 69.063 -28.800 1.00 63.23 H new ATOM 0 HA2 GLY A 32 -40.073 71.420 -29.188 1.00 2.21 H new ATOM 0 HA3 GLY A 32 -40.488 71.719 -27.512 1.00 2.21 H new ATOM 476 N CYS A 33 -38.712 69.742 -26.680 1.00 60.32 N ATOM 477 CA CYS A 33 -37.446 69.234 -26.180 1.00 45.24 C ATOM 478 C CYS A 33 -36.616 68.755 -27.373 1.00 61.41 C ATOM 479 O CYS A 33 -35.557 69.294 -27.690 1.00 64.44 O ATOM 480 CB CYS A 33 -37.649 68.127 -25.145 1.00 31.25 C ATOM 481 SG CYS A 33 -36.052 67.312 -24.777 1.00 0.41 S ATOM 0 H CYS A 33 -39.525 69.485 -26.120 1.00 60.32 H new ATOM 0 HA CYS A 33 -36.911 70.030 -25.662 1.00 45.24 H new ATOM 0 HB2 CYS A 33 -38.072 68.545 -24.232 1.00 31.25 H new ATOM 0 HB3 CYS A 33 -38.363 67.394 -25.520 1.00 31.25 H new ATOM 486 N GLY A 34 -37.126 67.719 -28.033 1.00 34.14 N ATOM 487 CA GLY A 34 -36.442 67.163 -29.185 1.00 24.42 C ATOM 488 C GLY A 34 -34.987 66.845 -28.898 1.00 14.44 C ATOM 489 O GLY A 34 -34.087 67.427 -29.502 1.00 12.52 O ATOM 0 H GLY A 34 -38.001 67.255 -27.790 1.00 34.14 H new ATOM 0 HA2 GLY A 34 -36.953 66.255 -29.504 1.00 24.42 H new ATOM 0 HA3 GLY A 34 -36.500 67.869 -30.014 1.00 24.42 H new ATOM 493 N ALA A 35 -34.757 65.921 -27.971 1.00 61.33 N ATOM 494 CA ALA A 35 -33.402 65.527 -27.605 1.00 50.14 C ATOM 495 C ALA A 35 -32.701 64.829 -28.766 1.00 20.23 C ATOM 496 O ALA A 35 -31.612 65.227 -29.176 1.00 40.53 O ATOM 497 CB ALA A 35 -33.427 64.624 -26.381 1.00 52.20 C ATOM 0 H ALA A 35 -35.491 65.431 -27.460 1.00 61.33 H new ATOM 0 HA ALA A 35 -32.840 66.430 -27.365 1.00 50.14 H new ATOM 0 HB1 ALA A 35 -32.408 64.338 -26.119 1.00 52.20 H new ATOM 0 HB2 ALA A 35 -33.880 65.157 -25.545 1.00 52.20 H new ATOM 0 HB3 ALA A 35 -34.010 63.730 -26.600 1.00 52.20 H new ATOM 503 N GLY A 36 -33.333 63.783 -29.290 1.00 40.02 N ATOM 504 CA GLY A 36 -32.754 63.045 -30.398 1.00 11.52 C ATOM 505 C GLY A 36 -31.252 62.891 -30.269 1.00 64.03 C ATOM 506 O GLY A 36 -30.506 63.210 -31.196 1.00 64.31 O ATOM 0 H GLY A 36 -34.235 63.434 -28.967 1.00 40.02 H new ATOM 0 HA2 GLY A 36 -33.214 62.058 -30.453 1.00 11.52 H new ATOM 0 HA3 GLY A 36 -32.985 63.557 -31.332 1.00 11.52 H new ATOM 510 N LEU A 37 -30.805 62.402 -29.117 1.00 53.35 N ATOM 511 CA LEU A 37 -29.381 62.208 -28.870 1.00 21.43 C ATOM 512 C LEU A 37 -29.089 60.762 -28.480 1.00 44.10 C ATOM 513 O LEU A 37 -29.775 60.185 -27.636 1.00 23.53 O ATOM 514 CB LEU A 37 -28.901 63.152 -27.766 1.00 52.23 C ATOM 515 CG LEU A 37 -29.725 63.152 -26.478 1.00 4.12 C ATOM 516 CD1 LEU A 37 -29.476 61.878 -25.685 1.00 44.23 C ATOM 517 CD2 LEU A 37 -29.399 64.378 -25.637 1.00 31.23 C ATOM 0 H LEU A 37 -31.408 62.133 -28.340 1.00 53.35 H new ATOM 0 HA LEU A 37 -28.844 62.433 -29.791 1.00 21.43 H new ATOM 0 HB2 LEU A 37 -27.872 62.893 -27.516 1.00 52.23 H new ATOM 0 HB3 LEU A 37 -28.886 64.167 -28.164 1.00 52.23 H new ATOM 0 HG LEU A 37 -30.781 63.189 -26.745 1.00 4.12 H new ATOM 0 HD11 LEU A 37 -30.071 61.896 -24.772 1.00 44.23 H new ATOM 0 HD12 LEU A 37 -29.760 61.014 -26.286 1.00 44.23 H new ATOM 0 HD13 LEU A 37 -28.419 61.810 -25.428 1.00 44.23 H new ATOM 0 HD21 LEU A 37 -29.994 64.362 -24.724 1.00 31.23 H new ATOM 0 HD22 LEU A 37 -28.340 64.371 -25.380 1.00 31.23 H new ATOM 0 HD23 LEU A 37 -29.629 65.280 -26.204 1.00 31.23 H new ATOM 529 N LEU A 38 -28.065 60.184 -29.099 1.00 32.44 N ATOM 530 CA LEU A 38 -27.680 58.806 -28.815 1.00 63.51 C ATOM 531 C LEU A 38 -27.415 58.609 -27.326 1.00 13.53 C ATOM 532 O LEU A 38 -26.658 59.353 -26.701 1.00 54.34 O ATOM 533 CB LEU A 38 -26.435 58.427 -29.620 1.00 0.52 C ATOM 534 CG LEU A 38 -26.207 56.932 -29.840 1.00 62.41 C ATOM 535 CD1 LEU A 38 -27.233 56.373 -30.814 1.00 64.01 C ATOM 536 CD2 LEU A 38 -24.794 56.676 -30.346 1.00 14.35 C ATOM 0 H LEU A 38 -27.487 60.648 -29.800 1.00 32.44 H new ATOM 0 HA LEU A 38 -28.506 58.158 -29.107 1.00 63.51 H new ATOM 0 HB2 LEU A 38 -26.495 58.912 -30.594 1.00 0.52 H new ATOM 0 HB3 LEU A 38 -25.561 58.837 -29.114 1.00 0.52 H new ATOM 0 HG LEU A 38 -26.327 56.422 -28.884 1.00 62.41 H new ATOM 0 HD11 LEU A 38 -27.055 55.307 -30.958 1.00 64.01 H new ATOM 0 HD12 LEU A 38 -28.235 56.522 -30.412 1.00 64.01 H new ATOM 0 HD13 LEU A 38 -27.145 56.888 -31.770 1.00 64.01 H new ATOM 0 HD21 LEU A 38 -24.650 55.606 -30.497 1.00 14.35 H new ATOM 0 HD22 LEU A 38 -24.645 57.199 -31.291 1.00 14.35 H new ATOM 0 HD23 LEU A 38 -24.074 57.039 -29.613 1.00 14.35 H new ATOM 548 N PRO A 39 -28.051 57.583 -26.742 1.00 12.14 N ATOM 549 CA PRO A 39 -27.898 57.263 -25.319 1.00 53.41 C ATOM 550 C PRO A 39 -26.512 56.717 -24.994 1.00 13.45 C ATOM 551 O PRO A 39 -25.882 56.064 -25.824 1.00 52.13 O ATOM 552 CB PRO A 39 -28.965 56.192 -25.080 1.00 21.13 C ATOM 553 CG PRO A 39 -29.175 55.562 -26.413 1.00 52.24 C ATOM 554 CD PRO A 39 -28.968 56.655 -27.425 1.00 12.42 C ATOM 0 HA PRO A 39 -28.011 58.145 -24.688 1.00 53.41 H new ATOM 0 HB2 PRO A 39 -28.633 55.460 -24.344 1.00 21.13 H new ATOM 0 HB3 PRO A 39 -29.888 56.630 -24.700 1.00 21.13 H new ATOM 0 HG2 PRO A 39 -28.473 54.744 -26.573 1.00 52.24 H new ATOM 0 HG3 PRO A 39 -30.177 55.141 -26.492 1.00 52.24 H new ATOM 0 HD2 PRO A 39 -28.536 56.271 -28.349 1.00 12.42 H new ATOM 0 HD3 PRO A 39 -29.907 57.140 -27.690 1.00 12.42 H new ATOM 562 N GLU A 40 -26.044 56.990 -23.779 1.00 72.54 N ATOM 563 CA GLU A 40 -24.732 56.525 -23.346 1.00 21.15 C ATOM 564 C GLU A 40 -24.615 55.010 -23.492 1.00 11.41 C ATOM 565 O GLU A 40 -25.611 54.292 -23.582 1.00 64.41 O ATOM 566 CB GLU A 40 -24.478 56.929 -21.892 1.00 32.24 C ATOM 567 CG GLU A 40 -23.862 58.310 -21.742 1.00 72.32 C ATOM 568 CD GLU A 40 -24.090 58.904 -20.366 1.00 4.12 C ATOM 569 OE1 GLU A 40 -25.194 59.435 -20.125 1.00 32.34 O ATOM 570 OE2 GLU A 40 -23.164 58.839 -19.530 1.00 42.15 O ATOM 0 H GLU A 40 -26.553 57.530 -23.079 1.00 72.54 H new ATOM 0 HA GLU A 40 -23.981 56.993 -23.983 1.00 21.15 H new ATOM 0 HB2 GLU A 40 -25.421 56.900 -21.346 1.00 32.24 H new ATOM 0 HB3 GLU A 40 -23.819 56.194 -21.430 1.00 32.24 H new ATOM 0 HG2 GLU A 40 -22.791 58.249 -21.934 1.00 72.32 H new ATOM 0 HG3 GLU A 40 -24.284 58.976 -22.495 1.00 72.32 H new ATOM 577 N PRO A 41 -23.370 54.513 -23.517 1.00 3.12 N ATOM 578 CA PRO A 41 -23.092 53.080 -23.652 1.00 51.11 C ATOM 579 C PRO A 41 -23.487 52.293 -22.407 1.00 44.11 C ATOM 580 O PRO A 41 -23.269 51.084 -22.331 1.00 31.32 O ATOM 581 CB PRO A 41 -21.576 53.030 -23.858 1.00 51.41 C ATOM 582 CG PRO A 41 -21.066 54.274 -23.217 1.00 3.42 C ATOM 583 CD PRO A 41 -22.137 55.311 -23.414 1.00 44.41 C ATOM 0 HA PRO A 41 -23.661 52.630 -24.465 1.00 51.11 H new ATOM 0 HB2 PRO A 41 -21.143 52.142 -23.398 1.00 51.41 H new ATOM 0 HB3 PRO A 41 -21.321 52.997 -24.917 1.00 51.41 H new ATOM 0 HG2 PRO A 41 -20.868 54.114 -22.157 1.00 3.42 H new ATOM 0 HG3 PRO A 41 -20.128 54.591 -23.672 1.00 3.42 H new ATOM 0 HD2 PRO A 41 -22.179 56.009 -22.578 1.00 44.41 H new ATOM 0 HD3 PRO A 41 -21.964 55.901 -24.314 1.00 44.41 H new ATOM 591 N ASP A 42 -24.068 52.986 -21.434 1.00 45.32 N ATOM 592 CA ASP A 42 -24.494 52.351 -20.193 1.00 10.55 C ATOM 593 C ASP A 42 -25.837 52.908 -19.731 1.00 12.30 C ATOM 594 O ASP A 42 -25.909 54.013 -19.193 1.00 34.54 O ATOM 595 CB ASP A 42 -23.441 52.556 -19.102 1.00 52.32 C ATOM 596 CG ASP A 42 -22.830 51.250 -18.635 1.00 0.02 C ATOM 597 OD1 ASP A 42 -23.592 50.358 -18.205 1.00 3.41 O ATOM 598 OD2 ASP A 42 -21.590 51.119 -18.700 1.00 20.12 O ATOM 0 H ASP A 42 -24.255 53.988 -21.481 1.00 45.32 H new ATOM 0 HA ASP A 42 -24.608 51.283 -20.381 1.00 10.55 H new ATOM 0 HB2 ASP A 42 -22.653 53.208 -19.479 1.00 52.32 H new ATOM 0 HB3 ASP A 42 -23.896 53.065 -18.253 1.00 52.32 H new ATOM 603 N GLN A 43 -26.898 52.137 -19.947 1.00 24.42 N ATOM 604 CA GLN A 43 -28.238 52.554 -19.554 1.00 53.33 C ATOM 605 C GLN A 43 -28.281 52.929 -18.076 1.00 71.45 C ATOM 606 O GLN A 43 -29.178 53.646 -17.634 1.00 35.44 O ATOM 607 CB GLN A 43 -29.247 51.440 -19.840 1.00 24.12 C ATOM 608 CG GLN A 43 -29.306 50.380 -18.752 1.00 63.41 C ATOM 609 CD GLN A 43 -29.080 48.980 -19.289 1.00 33.13 C ATOM 610 OE1 GLN A 43 -29.994 48.155 -19.307 1.00 31.23 O ATOM 611 NE2 GLN A 43 -27.859 48.704 -19.730 1.00 45.41 N ATOM 0 H GLN A 43 -26.855 51.220 -20.392 1.00 24.42 H new ATOM 0 HA GLN A 43 -28.503 53.434 -20.140 1.00 53.33 H new ATOM 0 HB2 GLN A 43 -30.237 51.880 -19.961 1.00 24.12 H new ATOM 0 HB3 GLN A 43 -28.992 50.964 -20.787 1.00 24.12 H new ATOM 0 HG2 GLN A 43 -28.554 50.600 -17.994 1.00 63.41 H new ATOM 0 HG3 GLN A 43 -30.277 50.424 -18.259 1.00 63.41 H new ATOM 0 HE21 GLN A 43 -27.131 49.418 -19.696 1.00 45.41 H new ATOM 0 HE22 GLN A 43 -27.648 47.778 -20.102 1.00 45.41 H new ATOM 620 N ARG A 44 -27.306 52.438 -17.318 1.00 41.15 N ATOM 621 CA ARG A 44 -27.233 52.720 -15.890 1.00 34.01 C ATOM 622 C ARG A 44 -27.701 54.141 -15.592 1.00 12.52 C ATOM 623 O ARG A 44 -28.426 54.378 -14.625 1.00 40.51 O ATOM 624 CB ARG A 44 -25.804 52.525 -15.382 1.00 4.11 C ATOM 625 CG ARG A 44 -25.666 51.403 -14.366 1.00 63.55 C ATOM 626 CD ARG A 44 -24.379 50.620 -14.573 1.00 64.50 C ATOM 627 NE ARG A 44 -23.209 51.355 -14.101 1.00 44.32 N ATOM 628 CZ ARG A 44 -21.960 51.031 -14.417 1.00 42.03 C ATOM 629 NH1 ARG A 44 -21.720 49.989 -15.202 1.00 12.51 N ATOM 630 NH2 ARG A 44 -20.948 51.750 -13.949 1.00 24.44 N ATOM 0 H ARG A 44 -26.556 51.843 -17.669 1.00 41.15 H new ATOM 0 HA ARG A 44 -27.893 52.023 -15.374 1.00 34.01 H new ATOM 0 HB2 ARG A 44 -25.151 52.318 -16.230 1.00 4.11 H new ATOM 0 HB3 ARG A 44 -25.457 53.455 -14.932 1.00 4.11 H new ATOM 0 HG2 ARG A 44 -25.682 51.819 -13.359 1.00 63.55 H new ATOM 0 HG3 ARG A 44 -26.520 50.730 -14.447 1.00 63.55 H new ATOM 0 HD2 ARG A 44 -24.445 49.668 -14.047 1.00 64.50 H new ATOM 0 HD3 ARG A 44 -24.260 50.391 -15.632 1.00 64.50 H new ATOM 0 HE ARG A 44 -23.359 52.162 -13.495 1.00 44.32 H new ATOM 0 HH11 ARG A 44 -22.495 49.434 -15.565 1.00 12.51 H new ATOM 0 HH12 ARG A 44 -20.760 49.742 -15.443 1.00 12.51 H new ATOM 0 HH21 ARG A 44 -21.129 52.553 -13.346 1.00 24.44 H new ATOM 0 HH22 ARG A 44 -19.989 51.500 -14.192 1.00 24.44 H new ATOM 644 N LYS A 45 -27.281 55.085 -16.428 1.00 73.42 N ATOM 645 CA LYS A 45 -27.657 56.483 -16.256 1.00 61.12 C ATOM 646 C LYS A 45 -27.580 57.234 -17.582 1.00 22.04 C ATOM 647 O LYS A 45 -26.495 57.590 -18.043 1.00 33.21 O ATOM 648 CB LYS A 45 -26.747 57.153 -15.224 1.00 52.43 C ATOM 649 CG LYS A 45 -27.402 58.318 -14.502 1.00 31.25 C ATOM 650 CD LYS A 45 -27.321 59.597 -15.317 1.00 42.22 C ATOM 651 CE LYS A 45 -28.516 60.501 -15.057 1.00 1.35 C ATOM 652 NZ LYS A 45 -28.222 61.522 -14.013 1.00 31.24 N ATOM 0 H LYS A 45 -26.679 54.907 -17.232 1.00 73.42 H new ATOM 0 HA LYS A 45 -28.687 56.516 -15.900 1.00 61.12 H new ATOM 0 HB2 LYS A 45 -26.435 56.410 -14.490 1.00 52.43 H new ATOM 0 HB3 LYS A 45 -25.844 57.506 -15.723 1.00 52.43 H new ATOM 0 HG2 LYS A 45 -28.446 58.080 -14.299 1.00 31.25 H new ATOM 0 HG3 LYS A 45 -26.916 58.469 -13.538 1.00 31.25 H new ATOM 0 HD2 LYS A 45 -26.401 60.128 -15.072 1.00 42.22 H new ATOM 0 HD3 LYS A 45 -27.274 59.351 -16.378 1.00 42.22 H new ATOM 0 HE2 LYS A 45 -28.802 61.000 -15.983 1.00 1.35 H new ATOM 0 HE3 LYS A 45 -29.368 59.897 -14.744 1.00 1.35 H new ATOM 0 HZ1 LYS A 45 -29.061 62.118 -13.865 1.00 31.24 H new ATOM 0 HZ2 LYS A 45 -27.974 61.046 -13.122 1.00 31.24 H new ATOM 0 HZ3 LYS A 45 -27.426 62.115 -14.322 1.00 31.24 H new ATOM 666 N VAL A 46 -28.738 57.473 -18.189 1.00 43.42 N ATOM 667 CA VAL A 46 -28.801 58.185 -19.460 1.00 73.33 C ATOM 668 C VAL A 46 -29.541 59.509 -19.312 1.00 54.24 C ATOM 669 O VAL A 46 -30.740 59.536 -19.029 1.00 44.12 O ATOM 670 CB VAL A 46 -29.497 57.338 -20.543 1.00 12.42 C ATOM 671 CG1 VAL A 46 -30.143 58.235 -21.588 1.00 71.23 C ATOM 672 CG2 VAL A 46 -28.507 56.381 -21.188 1.00 71.41 C ATOM 0 H VAL A 46 -29.645 57.184 -17.822 1.00 43.42 H new ATOM 0 HA VAL A 46 -27.773 58.379 -19.766 1.00 73.33 H new ATOM 0 HB VAL A 46 -30.282 56.748 -20.070 1.00 12.42 H new ATOM 0 HG11 VAL A 46 -30.630 57.620 -22.345 1.00 71.23 H new ATOM 0 HG12 VAL A 46 -30.884 58.876 -21.110 1.00 71.23 H new ATOM 0 HG13 VAL A 46 -29.379 58.853 -22.059 1.00 71.23 H new ATOM 0 HG21 VAL A 46 -29.015 55.791 -21.950 1.00 71.41 H new ATOM 0 HG22 VAL A 46 -27.699 56.949 -21.648 1.00 71.41 H new ATOM 0 HG23 VAL A 46 -28.096 55.716 -20.428 1.00 71.41 H new ATOM 682 N THR A 47 -28.820 60.609 -19.506 1.00 60.04 N ATOM 683 CA THR A 47 -29.407 61.938 -19.394 1.00 53.12 C ATOM 684 C THR A 47 -29.875 62.449 -20.752 1.00 71.11 C ATOM 685 O THR A 47 -29.114 62.379 -21.716 1.00 72.31 O ATOM 686 CB THR A 47 -28.407 62.945 -18.796 1.00 53.51 C ATOM 687 OG1 THR A 47 -27.738 62.363 -17.672 1.00 60.12 O ATOM 688 CG2 THR A 47 -29.116 64.221 -18.366 1.00 30.25 C ATOM 0 H THR A 47 -27.828 60.605 -19.742 1.00 60.04 H new ATOM 0 HA THR A 47 -30.265 61.849 -18.727 1.00 53.12 H new ATOM 0 HB THR A 47 -27.675 63.196 -19.564 1.00 53.51 H new ATOM 0 HG1 THR A 47 -27.103 63.009 -17.299 1.00 60.12 H new ATOM 0 HG21 THR A 47 -28.390 64.917 -17.947 1.00 30.25 H new ATOM 0 HG22 THR A 47 -29.599 64.677 -19.230 1.00 30.25 H new ATOM 0 HG23 THR A 47 -29.868 63.984 -17.613 1.00 30.25 H new ATOM 696 N CYS A 48 -31.102 62.947 -20.799 1.00 60.12 N ATOM 697 CA CYS A 48 -31.653 63.464 -22.040 1.00 62.45 C ATOM 698 C CYS A 48 -31.036 64.839 -22.304 1.00 33.11 C ATOM 699 O CYS A 48 -31.047 65.354 -23.421 1.00 50.51 O ATOM 700 CB CYS A 48 -33.181 63.521 -22.000 1.00 52.53 C ATOM 701 SG CYS A 48 -33.767 65.100 -22.718 1.00 22.21 S ATOM 0 H CYS A 48 -31.730 63.003 -19.997 1.00 60.12 H new ATOM 0 HA CYS A 48 -31.402 62.792 -22.860 1.00 62.45 H new ATOM 0 HB2 CYS A 48 -33.599 62.682 -22.556 1.00 52.53 H new ATOM 0 HB3 CYS A 48 -33.530 63.428 -20.972 1.00 52.53 H new ATOM 706 N GLU A 49 -30.495 65.425 -21.241 1.00 23.24 N ATOM 707 CA GLU A 49 -29.868 66.739 -21.329 1.00 71.54 C ATOM 708 C GLU A 49 -28.541 66.659 -22.079 1.00 33.10 C ATOM 709 O GLU A 49 -28.370 67.279 -23.128 1.00 31.42 O ATOM 710 CB GLU A 49 -29.642 67.316 -19.931 1.00 14.14 C ATOM 711 CG GLU A 49 -30.779 67.031 -18.964 1.00 31.24 C ATOM 712 CD GLU A 49 -30.980 68.145 -17.955 1.00 33.23 C ATOM 713 OE1 GLU A 49 -29.985 68.808 -17.596 1.00 31.11 O ATOM 714 OE2 GLU A 49 -32.134 68.353 -17.524 1.00 51.23 O ATOM 0 H GLU A 49 -30.478 65.011 -20.309 1.00 23.24 H new ATOM 0 HA GLU A 49 -30.539 67.397 -21.881 1.00 71.54 H new ATOM 0 HB2 GLU A 49 -28.718 66.906 -19.523 1.00 14.14 H new ATOM 0 HB3 GLU A 49 -29.505 68.394 -20.010 1.00 14.14 H new ATOM 0 HG2 GLU A 49 -31.701 66.885 -19.526 1.00 31.24 H new ATOM 0 HG3 GLU A 49 -30.577 66.099 -18.436 1.00 31.24 H new ATOM 721 N GLY A 50 -27.604 65.891 -21.531 1.00 60.14 N ATOM 722 CA GLY A 50 -26.304 65.744 -22.160 1.00 53.43 C ATOM 723 C GLY A 50 -25.353 66.866 -21.794 1.00 11.13 C ATOM 724 O GLY A 50 -24.721 66.834 -20.739 1.00 32.24 O ATOM 0 H GLY A 50 -27.722 65.368 -20.663 1.00 60.14 H new ATOM 0 HA2 GLY A 50 -25.867 64.790 -21.865 1.00 53.43 H new ATOM 0 HA3 GLY A 50 -26.429 65.716 -23.242 1.00 53.43 H new ATOM 728 N GLY A 51 -25.249 67.862 -22.669 1.00 32.12 N ATOM 729 CA GLY A 51 -24.364 68.984 -22.414 1.00 75.24 C ATOM 730 C GLY A 51 -24.316 69.958 -23.574 1.00 42.43 C ATOM 731 O GLY A 51 -23.307 70.629 -23.788 1.00 41.10 O ATOM 0 H GLY A 51 -25.762 67.912 -23.549 1.00 32.12 H new ATOM 0 HA2 GLY A 51 -24.695 69.508 -21.517 1.00 75.24 H new ATOM 0 HA3 GLY A 51 -23.359 68.612 -22.214 1.00 75.24 H new ATOM 735 N ASN A 52 -25.409 70.036 -24.326 1.00 61.24 N ATOM 736 CA ASN A 52 -25.486 70.934 -25.473 1.00 1.23 C ATOM 737 C ASN A 52 -26.198 72.231 -25.100 1.00 42.25 C ATOM 738 O ASN A 52 -25.658 73.322 -25.281 1.00 70.12 O ATOM 739 CB ASN A 52 -26.216 70.253 -26.632 1.00 44.44 C ATOM 740 CG ASN A 52 -25.840 68.791 -26.773 1.00 44.03 C ATOM 741 OD1 ASN A 52 -26.490 67.914 -26.205 1.00 30.11 O ATOM 742 ND2 ASN A 52 -24.785 68.522 -27.534 1.00 3.22 N ATOM 0 H ASN A 52 -26.254 69.488 -24.162 1.00 61.24 H new ATOM 0 HA ASN A 52 -24.470 71.174 -25.785 1.00 1.23 H new ATOM 0 HB2 ASN A 52 -27.292 70.335 -26.479 1.00 44.44 H new ATOM 0 HB3 ASN A 52 -25.985 70.776 -27.560 1.00 44.44 H new ATOM 0 HD21 ASN A 52 -24.485 67.556 -27.666 1.00 3.22 H new ATOM 0 HD22 ASN A 52 -24.275 69.281 -27.986 1.00 3.22 H new ATOM 749 N GLY A 53 -27.414 72.104 -24.579 1.00 31.24 N ATOM 750 CA GLY A 53 -28.180 73.273 -24.189 1.00 32.04 C ATOM 751 C GLY A 53 -29.430 72.914 -23.410 1.00 30.24 C ATOM 752 O GLY A 53 -29.640 73.402 -22.298 1.00 41.14 O ATOM 0 H GLY A 53 -27.883 71.212 -24.420 1.00 31.24 H new ATOM 0 HA2 GLY A 53 -27.554 73.928 -23.583 1.00 32.04 H new ATOM 0 HA3 GLY A 53 -28.460 73.834 -25.081 1.00 32.04 H new ATOM 756 N LEU A 54 -30.263 72.060 -23.993 1.00 35.52 N ATOM 757 CA LEU A 54 -31.501 71.636 -23.347 1.00 10.22 C ATOM 758 C LEU A 54 -31.217 70.643 -22.224 1.00 53.14 C ATOM 759 O LEU A 54 -30.107 70.126 -22.105 1.00 54.00 O ATOM 760 CB LEU A 54 -32.446 71.008 -24.373 1.00 22.34 C ATOM 761 CG LEU A 54 -33.294 71.983 -25.190 1.00 32.24 C ATOM 762 CD1 LEU A 54 -32.520 72.478 -26.401 1.00 50.12 C ATOM 763 CD2 LEU A 54 -34.597 71.325 -25.619 1.00 54.14 C ATOM 0 H LEU A 54 -30.104 71.647 -24.912 1.00 35.52 H new ATOM 0 HA LEU A 54 -31.977 72.517 -22.916 1.00 10.22 H new ATOM 0 HB2 LEU A 54 -31.853 70.407 -25.063 1.00 22.34 H new ATOM 0 HB3 LEU A 54 -33.116 70.325 -23.850 1.00 22.34 H new ATOM 0 HG LEU A 54 -33.533 72.842 -24.562 1.00 32.24 H new ATOM 0 HD11 LEU A 54 -33.140 73.171 -26.970 1.00 50.12 H new ATOM 0 HD12 LEU A 54 -31.615 72.988 -26.071 1.00 50.12 H new ATOM 0 HD13 LEU A 54 -32.250 71.631 -27.031 1.00 50.12 H new ATOM 0 HD21 LEU A 54 -35.188 72.033 -26.200 1.00 54.14 H new ATOM 0 HD22 LEU A 54 -34.378 70.449 -26.229 1.00 54.14 H new ATOM 0 HD23 LEU A 54 -35.159 71.021 -24.736 1.00 54.14 H new ATOM 775 N GLY A 55 -32.230 70.379 -21.404 1.00 50.40 N ATOM 776 CA GLY A 55 -32.070 69.447 -20.303 1.00 42.43 C ATOM 777 C GLY A 55 -33.377 69.161 -19.591 1.00 42.10 C ATOM 778 O GLY A 55 -33.886 70.040 -18.898 1.00 10.25 O ATOM 0 H GLY A 55 -33.158 70.794 -21.483 1.00 50.40 H new ATOM 0 HA2 GLY A 55 -31.653 68.513 -20.679 1.00 42.43 H new ATOM 0 HA3 GLY A 55 -31.352 69.852 -19.590 1.00 42.43 H new ATOM 782 N CYS A 56 -33.893 67.954 -19.771 1.00 50.22 N ATOM 783 CA CYS A 56 -35.144 67.573 -19.137 1.00 64.23 C ATOM 784 C CYS A 56 -34.918 67.517 -17.625 1.00 71.10 C ATOM 785 O CYS A 56 -35.608 68.164 -16.838 1.00 23.41 O ATOM 786 CB CYS A 56 -35.674 66.246 -19.685 1.00 2.13 C ATOM 787 SG CYS A 56 -36.725 66.550 -21.152 1.00 24.21 S ATOM 0 H CYS A 56 -33.468 67.227 -20.347 1.00 50.22 H new ATOM 0 HA CYS A 56 -35.910 68.315 -19.361 1.00 64.23 H new ATOM 0 HB2 CYS A 56 -34.842 65.595 -19.952 1.00 2.13 H new ATOM 0 HB3 CYS A 56 -36.249 65.729 -18.916 1.00 2.13 H new ATOM 792 N GLY A 57 -33.927 66.721 -17.234 1.00 12.33 N ATOM 793 CA GLY A 57 -33.605 66.575 -15.826 1.00 71.02 C ATOM 794 C GLY A 57 -33.980 65.210 -15.285 1.00 23.34 C ATOM 795 O GLY A 57 -33.788 64.929 -14.101 1.00 53.41 O ATOM 0 H GLY A 57 -33.342 66.175 -17.867 1.00 12.33 H new ATOM 0 HA2 GLY A 57 -32.537 66.739 -15.682 1.00 71.02 H new ATOM 0 HA3 GLY A 57 -34.126 67.344 -15.256 1.00 71.02 H new ATOM 799 N PHE A 58 -34.517 64.358 -16.152 1.00 23.23 N ATOM 800 CA PHE A 58 -34.922 63.015 -15.753 1.00 61.11 C ATOM 801 C PHE A 58 -34.330 61.967 -16.691 1.00 45.21 C ATOM 802 O PHE A 58 -34.813 61.772 -17.806 1.00 34.04 O ATOM 803 CB PHE A 58 -36.448 62.902 -15.742 1.00 62.24 C ATOM 804 CG PHE A 58 -36.949 61.614 -15.154 1.00 13.35 C ATOM 805 CD1 PHE A 58 -36.911 60.440 -15.888 1.00 22.13 C ATOM 806 CD2 PHE A 58 -37.460 61.579 -13.866 1.00 23.42 C ATOM 807 CE1 PHE A 58 -37.371 59.253 -15.349 1.00 12.34 C ATOM 808 CE2 PHE A 58 -37.921 60.395 -13.321 1.00 50.04 C ATOM 809 CZ PHE A 58 -37.878 59.231 -14.064 1.00 41.21 C ATOM 0 H PHE A 58 -34.682 64.574 -17.135 1.00 23.23 H new ATOM 0 HA PHE A 58 -34.544 62.832 -14.747 1.00 61.11 H new ATOM 0 HB2 PHE A 58 -36.862 63.736 -15.176 1.00 62.24 H new ATOM 0 HB3 PHE A 58 -36.819 62.995 -16.763 1.00 62.24 H new ATOM 0 HD1 PHE A 58 -36.517 60.452 -16.894 1.00 22.13 H new ATOM 0 HD2 PHE A 58 -37.498 62.487 -13.282 1.00 23.42 H new ATOM 0 HE1 PHE A 58 -37.334 58.344 -15.931 1.00 12.34 H new ATOM 0 HE2 PHE A 58 -38.314 60.380 -12.315 1.00 50.04 H new ATOM 0 HZ PHE A 58 -38.240 58.306 -13.641 1.00 41.21 H new ATOM 819 N ALA A 59 -33.279 61.296 -16.231 1.00 4.41 N ATOM 820 CA ALA A 59 -32.621 60.268 -17.027 1.00 25.11 C ATOM 821 C ALA A 59 -33.564 59.103 -17.307 1.00 51.35 C ATOM 822 O ALA A 59 -34.509 58.862 -16.556 1.00 55.34 O ATOM 823 CB ALA A 59 -31.367 59.775 -16.320 1.00 5.20 C ATOM 0 H ALA A 59 -32.865 61.446 -15.311 1.00 4.41 H new ATOM 0 HA ALA A 59 -32.337 60.710 -17.982 1.00 25.11 H new ATOM 0 HB1 ALA A 59 -30.886 59.007 -16.926 1.00 5.20 H new ATOM 0 HB2 ALA A 59 -30.679 60.608 -16.176 1.00 5.20 H new ATOM 0 HB3 ALA A 59 -31.637 59.356 -15.351 1.00 5.20 H new ATOM 829 N PHE A 60 -33.302 58.384 -18.394 1.00 21.24 N ATOM 830 CA PHE A 60 -34.129 57.245 -18.774 1.00 73.13 C ATOM 831 C PHE A 60 -33.272 56.006 -19.014 1.00 22.44 C ATOM 832 O PHE A 60 -32.047 56.100 -18.957 1.00 23.02 O ATOM 833 CB PHE A 60 -34.936 57.572 -20.033 1.00 30.53 C ATOM 834 CG PHE A 60 -34.102 58.128 -21.152 1.00 34.44 C ATOM 835 CD1 PHE A 60 -33.527 59.383 -21.046 1.00 45.32 C ATOM 836 CD2 PHE A 60 -33.895 57.395 -22.309 1.00 73.31 C ATOM 837 CE1 PHE A 60 -32.759 59.898 -22.074 1.00 25.12 C ATOM 838 CE2 PHE A 60 -33.128 57.904 -23.340 1.00 30.23 C ATOM 839 CZ PHE A 60 -32.560 59.157 -23.223 1.00 10.45 C ATOM 0 H PHE A 60 -32.524 58.570 -19.027 1.00 21.24 H new ATOM 0 HA PHE A 60 -34.816 57.037 -17.954 1.00 73.13 H new ATOM 0 HB2 PHE A 60 -35.437 56.668 -20.379 1.00 30.53 H new ATOM 0 HB3 PHE A 60 -35.715 58.291 -19.779 1.00 30.53 H new ATOM 0 HD1 PHE A 60 -33.680 59.966 -20.150 1.00 45.32 H new ATOM 0 HD2 PHE A 60 -34.338 56.415 -22.407 1.00 73.31 H new ATOM 0 HE1 PHE A 60 -32.315 60.878 -21.979 1.00 25.12 H new ATOM 0 HE2 PHE A 60 -32.973 57.322 -24.236 1.00 30.23 H new ATOM 0 HZ PHE A 60 -31.961 59.557 -24.028 1.00 10.45 H new ATOM 849 N CYS A 61 -33.927 54.883 -19.272 1.00 41.44 N ATOM 850 CA CYS A 61 -33.215 53.640 -19.516 1.00 41.51 C ATOM 851 C CYS A 61 -33.131 53.423 -21.028 1.00 51.33 C ATOM 852 O CYS A 61 -34.137 53.283 -21.724 1.00 11.01 O ATOM 853 CB CYS A 61 -33.879 52.459 -18.806 1.00 13.31 C ATOM 854 SG CYS A 61 -33.164 50.885 -19.406 1.00 51.41 S ATOM 0 H CYS A 61 -34.943 54.808 -19.317 1.00 41.44 H new ATOM 0 HA CYS A 61 -32.208 53.708 -19.103 1.00 41.51 H new ATOM 0 HB2 CYS A 61 -33.737 52.545 -17.729 1.00 13.31 H new ATOM 0 HB3 CYS A 61 -34.954 52.472 -18.988 1.00 13.31 H new ATOM 0 HG CYS A 61 -34.112 50.127 -19.870 1.00 51.41 H new ATOM 859 N ARG A 62 -31.899 53.399 -21.525 1.00 24.33 N ATOM 860 CA ARG A 62 -31.652 53.202 -22.948 1.00 51.01 C ATOM 861 C ARG A 62 -32.103 51.813 -23.391 1.00 51.32 C ATOM 862 O ARG A 62 -32.624 51.642 -24.493 1.00 3.01 O ATOM 863 CB ARG A 62 -30.167 53.392 -23.261 1.00 63.52 C ATOM 864 CG ARG A 62 -29.756 52.845 -24.619 1.00 23.35 C ATOM 865 CD ARG A 62 -28.244 52.730 -24.739 1.00 11.25 C ATOM 866 NE ARG A 62 -27.809 52.667 -26.131 1.00 42.32 N ATOM 867 CZ ARG A 62 -26.565 52.383 -26.500 1.00 62.11 C ATOM 868 NH1 ARG A 62 -25.638 52.136 -25.585 1.00 12.15 N ATOM 869 NH2 ARG A 62 -26.246 52.344 -27.788 1.00 2.44 N ATOM 0 H ARG A 62 -31.056 53.514 -20.963 1.00 24.33 H new ATOM 0 HA ARG A 62 -32.230 53.945 -23.498 1.00 51.01 H new ATOM 0 HB2 ARG A 62 -29.929 54.455 -23.220 1.00 63.52 H new ATOM 0 HB3 ARG A 62 -29.576 52.902 -22.487 1.00 63.52 H new ATOM 0 HG2 ARG A 62 -30.210 51.866 -24.770 1.00 23.35 H new ATOM 0 HG3 ARG A 62 -30.136 53.497 -25.405 1.00 23.35 H new ATOM 0 HD2 ARG A 62 -27.776 53.585 -24.251 1.00 11.25 H new ATOM 0 HD3 ARG A 62 -27.905 51.838 -24.213 1.00 11.25 H new ATOM 0 HE ARG A 62 -28.498 52.851 -26.860 1.00 42.32 H new ATOM 0 HH11 ARG A 62 -25.879 52.164 -24.594 1.00 12.15 H new ATOM 0 HH12 ARG A 62 -24.684 51.918 -25.872 1.00 12.15 H new ATOM 0 HH21 ARG A 62 -26.956 52.532 -28.495 1.00 2.44 H new ATOM 0 HH22 ARG A 62 -25.290 52.126 -28.070 1.00 2.44 H new ATOM 883 N GLU A 63 -31.899 50.826 -22.525 1.00 23.20 N ATOM 884 CA GLU A 63 -32.283 49.452 -22.829 1.00 13.45 C ATOM 885 C GLU A 63 -33.715 49.392 -23.352 1.00 35.51 C ATOM 886 O GLU A 63 -33.952 48.775 -24.390 1.00 14.24 O ATOM 887 CB GLU A 63 -32.146 48.574 -21.583 1.00 61.35 C ATOM 888 CG GLU A 63 -31.967 47.098 -21.897 1.00 20.22 C ATOM 889 CD GLU A 63 -30.649 46.803 -22.586 1.00 42.31 C ATOM 890 OE1 GLU A 63 -29.717 47.625 -22.458 1.00 63.31 O ATOM 891 OE2 GLU A 63 -30.549 45.753 -23.253 1.00 72.43 O ATOM 0 H GLU A 63 -31.470 50.951 -21.608 1.00 23.20 H new ATOM 0 HA GLU A 63 -31.615 49.077 -23.604 1.00 13.45 H new ATOM 0 HB2 GLU A 63 -31.294 48.919 -20.998 1.00 61.35 H new ATOM 0 HB3 GLU A 63 -33.032 48.700 -20.961 1.00 61.35 H new ATOM 0 HG2 GLU A 63 -32.025 46.524 -20.972 1.00 20.22 H new ATOM 0 HG3 GLU A 63 -32.787 46.764 -22.532 1.00 20.22 H new ATOM 898 N CYS A 64 -34.628 50.025 -22.630 1.00 75.30 N ATOM 899 CA CYS A 64 -36.025 50.034 -23.031 1.00 10.20 C ATOM 900 C CYS A 64 -36.381 51.446 -23.500 1.00 45.33 C ATOM 901 O CYS A 64 -37.524 51.755 -23.835 1.00 14.43 O ATOM 902 CB CYS A 64 -36.941 49.561 -21.901 1.00 33.32 C ATOM 903 SG CYS A 64 -36.601 50.516 -20.378 1.00 15.53 S ATOM 0 H CYS A 64 -34.428 50.535 -21.770 1.00 75.30 H new ATOM 0 HA CYS A 64 -36.175 49.331 -23.850 1.00 10.20 H new ATOM 0 HB2 CYS A 64 -37.984 49.684 -22.192 1.00 33.32 H new ATOM 0 HB3 CYS A 64 -36.785 48.498 -21.716 1.00 33.32 H new ATOM 0 HG CYS A 64 -36.847 49.776 -19.338 1.00 15.53 H new ATOM 908 N LYS A 65 -35.366 52.304 -23.518 1.00 11.21 N ATOM 909 CA LYS A 65 -35.541 53.688 -23.942 1.00 13.44 C ATOM 910 C LYS A 65 -36.801 54.290 -23.328 1.00 35.11 C ATOM 911 O LYS A 65 -37.451 55.142 -23.933 1.00 42.10 O ATOM 912 CB LYS A 65 -35.615 53.771 -25.468 1.00 33.40 C ATOM 913 CG LYS A 65 -36.399 52.634 -26.101 1.00 53.10 C ATOM 914 CD LYS A 65 -36.359 52.706 -27.618 1.00 63.13 C ATOM 915 CE LYS A 65 -37.742 52.948 -28.202 1.00 72.31 C ATOM 916 NZ LYS A 65 -37.876 52.373 -29.569 1.00 64.42 N ATOM 0 H LYS A 65 -34.413 52.065 -23.244 1.00 11.21 H new ATOM 0 HA LYS A 65 -34.680 54.259 -23.595 1.00 13.44 H new ATOM 0 HB2 LYS A 65 -36.073 54.719 -25.750 1.00 33.40 H new ATOM 0 HB3 LYS A 65 -34.603 53.773 -25.873 1.00 33.40 H new ATOM 0 HG2 LYS A 65 -35.989 51.680 -25.770 1.00 53.10 H new ATOM 0 HG3 LYS A 65 -37.434 52.671 -25.761 1.00 53.10 H new ATOM 0 HD2 LYS A 65 -35.687 53.507 -27.928 1.00 63.13 H new ATOM 0 HD3 LYS A 65 -35.952 51.777 -28.017 1.00 63.13 H new ATOM 0 HE2 LYS A 65 -38.494 52.508 -27.548 1.00 72.31 H new ATOM 0 HE3 LYS A 65 -37.938 54.020 -28.238 1.00 72.31 H new ATOM 0 HZ1 LYS A 65 -38.833 52.559 -29.932 1.00 64.42 H new ATOM 0 HZ2 LYS A 65 -37.175 52.811 -30.200 1.00 64.42 H new ATOM 0 HZ3 LYS A 65 -37.714 51.346 -29.531 1.00 64.42 H new ATOM 930 N GLU A 66 -37.140 53.841 -22.123 1.00 42.40 N ATOM 931 CA GLU A 66 -38.322 54.337 -21.428 1.00 52.14 C ATOM 932 C GLU A 66 -37.939 55.002 -20.109 1.00 54.24 C ATOM 933 O GLU A 66 -36.764 55.060 -19.749 1.00 50.25 O ATOM 934 CB GLU A 66 -39.305 53.194 -21.169 1.00 74.31 C ATOM 935 CG GLU A 66 -40.716 53.482 -21.654 1.00 51.43 C ATOM 936 CD GLU A 66 -41.673 52.338 -21.380 1.00 42.24 C ATOM 937 OE1 GLU A 66 -41.244 51.169 -21.478 1.00 53.51 O ATOM 938 OE2 GLU A 66 -42.851 52.612 -21.068 1.00 5.30 O ATOM 0 H GLU A 66 -36.613 53.135 -21.609 1.00 42.40 H new ATOM 0 HA GLU A 66 -38.801 55.081 -22.064 1.00 52.14 H new ATOM 0 HB2 GLU A 66 -38.938 52.293 -21.660 1.00 74.31 H new ATOM 0 HB3 GLU A 66 -39.333 52.986 -20.099 1.00 74.31 H new ATOM 0 HG2 GLU A 66 -41.086 54.384 -21.168 1.00 51.43 H new ATOM 0 HG3 GLU A 66 -40.694 53.683 -22.725 1.00 51.43 H new ATOM 945 N ALA A 67 -38.941 55.503 -19.394 1.00 2.42 N ATOM 946 CA ALA A 67 -38.710 56.163 -18.115 1.00 14.14 C ATOM 947 C ALA A 67 -37.879 55.285 -17.186 1.00 32.43 C ATOM 948 O ALA A 67 -38.178 54.105 -16.999 1.00 62.25 O ATOM 949 CB ALA A 67 -40.036 56.522 -17.459 1.00 61.52 C ATOM 0 H ALA A 67 -39.920 55.464 -19.679 1.00 2.42 H new ATOM 0 HA ALA A 67 -38.150 57.079 -18.303 1.00 14.14 H new ATOM 0 HB1 ALA A 67 -39.848 57.014 -16.505 1.00 61.52 H new ATOM 0 HB2 ALA A 67 -40.594 57.194 -18.111 1.00 61.52 H new ATOM 0 HB3 ALA A 67 -40.616 55.615 -17.291 1.00 61.52 H new ATOM 955 N TYR A 68 -36.835 55.867 -16.606 1.00 74.40 N ATOM 956 CA TYR A 68 -35.959 55.135 -15.699 1.00 0.43 C ATOM 957 C TYR A 68 -36.764 54.442 -14.604 1.00 54.01 C ATOM 958 O TYR A 68 -37.442 55.093 -13.809 1.00 14.23 O ATOM 959 CB TYR A 68 -34.935 56.083 -15.071 1.00 62.44 C ATOM 960 CG TYR A 68 -33.710 55.379 -14.533 1.00 45.10 C ATOM 961 CD1 TYR A 68 -33.743 54.721 -13.310 1.00 10.11 C ATOM 962 CD2 TYR A 68 -32.518 55.372 -15.248 1.00 73.44 C ATOM 963 CE1 TYR A 68 -32.626 54.078 -12.814 1.00 23.20 C ATOM 964 CE2 TYR A 68 -31.396 54.730 -14.761 1.00 33.40 C ATOM 965 CZ TYR A 68 -31.455 54.085 -13.543 1.00 61.42 C ATOM 966 OH TYR A 68 -30.340 53.444 -13.053 1.00 71.33 O ATOM 0 H TYR A 68 -36.575 56.843 -16.748 1.00 74.40 H new ATOM 0 HA TYR A 68 -35.435 54.374 -16.277 1.00 0.43 H new ATOM 0 HB2 TYR A 68 -34.625 56.815 -15.816 1.00 62.44 H new ATOM 0 HB3 TYR A 68 -35.412 56.635 -14.261 1.00 62.44 H new ATOM 0 HD1 TYR A 68 -34.658 54.712 -12.737 1.00 10.11 H new ATOM 0 HD2 TYR A 68 -32.468 55.877 -16.201 1.00 73.44 H new ATOM 0 HE1 TYR A 68 -32.669 53.572 -11.861 1.00 23.20 H new ATOM 0 HE2 TYR A 68 -30.478 54.733 -15.330 1.00 33.40 H new ATOM 0 HH TYR A 68 -29.533 53.888 -13.388 1.00 71.33 H new ATOM 976 N HIS A 69 -36.684 53.116 -14.570 1.00 32.43 N ATOM 977 CA HIS A 69 -37.404 52.332 -13.572 1.00 72.22 C ATOM 978 C HIS A 69 -36.473 51.905 -12.441 1.00 54.21 C ATOM 979 O HIS A 69 -35.298 51.618 -12.667 1.00 54.43 O ATOM 980 CB HIS A 69 -38.036 51.100 -14.220 1.00 74.32 C ATOM 981 CG HIS A 69 -37.233 50.541 -15.354 1.00 73.40 C ATOM 982 ND1 HIS A 69 -35.894 50.463 -15.537 1.00 10.13 N flip ATOM 983 CD2 HIS A 69 -37.805 49.976 -16.475 1.00 34.02 C flip ATOM 984 CE1 HIS A 69 -35.684 49.858 -16.751 1.00 25.10 C flip ATOM 985 NE2 HIS A 69 -36.853 49.574 -17.297 1.00 43.15 N flip ATOM 0 H HIS A 69 -36.128 52.562 -15.221 1.00 32.43 H new ATOM 0 HA HIS A 69 -38.192 52.958 -13.153 1.00 72.22 H new ATOM 0 HB2 HIS A 69 -38.166 50.327 -13.462 1.00 74.32 H new ATOM 0 HB3 HIS A 69 -39.030 51.360 -14.583 1.00 74.32 H new ATOM 0 HD1 HIS A 69 -35.175 50.792 -14.893 1.00 10.13 H new ATOM 0 HD2 HIS A 69 -38.866 49.878 -16.653 1.00 34.02 H new ATOM 0 HE1 HIS A 69 -34.719 49.648 -17.189 1.00 25.10 H new ATOM 993 N GLU A 70 -37.007 51.867 -11.224 1.00 73.12 N ATOM 994 CA GLU A 70 -36.223 51.477 -10.059 1.00 21.15 C ATOM 995 C GLU A 70 -36.128 49.958 -9.950 1.00 33.32 C ATOM 996 O GLU A 70 -35.774 49.420 -8.902 1.00 5.34 O ATOM 997 CB GLU A 70 -36.842 52.053 -8.783 1.00 72.24 C ATOM 998 CG GLU A 70 -36.858 53.572 -8.747 1.00 32.21 C ATOM 999 CD GLU A 70 -38.200 54.131 -8.315 1.00 22.23 C ATOM 1000 OE1 GLU A 70 -38.839 53.522 -7.431 1.00 62.32 O ATOM 1001 OE2 GLU A 70 -38.611 55.176 -8.859 1.00 42.54 O ATOM 0 H GLU A 70 -37.978 52.101 -11.020 1.00 73.12 H new ATOM 0 HA GLU A 70 -35.217 51.879 -10.180 1.00 21.15 H new ATOM 0 HB2 GLU A 70 -37.863 51.685 -8.686 1.00 72.24 H new ATOM 0 HB3 GLU A 70 -36.287 51.683 -7.921 1.00 72.24 H new ATOM 0 HG2 GLU A 70 -36.085 53.924 -8.064 1.00 32.21 H new ATOM 0 HG3 GLU A 70 -36.609 53.958 -9.736 1.00 32.21 H new ATOM 1008 N GLY A 71 -36.449 49.271 -11.042 1.00 75.21 N ATOM 1009 CA GLY A 71 -36.395 47.821 -11.049 1.00 74.41 C ATOM 1010 C GLY A 71 -35.536 47.278 -12.174 1.00 31.13 C ATOM 1011 O GLY A 71 -34.333 47.083 -12.005 1.00 1.31 O ATOM 0 H GLY A 71 -36.746 49.693 -11.922 1.00 75.21 H new ATOM 0 HA2 GLY A 71 -36.002 47.471 -10.095 1.00 74.41 H new ATOM 0 HA3 GLY A 71 -37.405 47.423 -11.143 1.00 74.41 H new ATOM 1015 N GLU A 72 -36.156 47.032 -13.324 1.00 25.51 N ATOM 1016 CA GLU A 72 -35.439 46.505 -14.479 1.00 44.35 C ATOM 1017 C GLU A 72 -36.394 46.244 -15.640 1.00 54.31 C ATOM 1018 O GLU A 72 -37.554 45.908 -15.403 1.00 4.55 O ATOM 1019 CB GLU A 72 -34.705 45.215 -14.108 1.00 72.32 C ATOM 1020 CG GLU A 72 -33.243 45.205 -14.521 1.00 1.43 C ATOM 1021 CD GLU A 72 -32.312 44.908 -13.361 1.00 44.34 C ATOM 1022 OE1 GLU A 72 -32.759 44.262 -12.391 1.00 43.20 O ATOM 1023 OE2 GLU A 72 -31.135 45.322 -13.425 1.00 40.34 O ATOM 0 H GLU A 72 -37.152 47.189 -13.480 1.00 25.51 H new ATOM 0 HA GLU A 72 -34.709 47.252 -14.792 1.00 44.35 H new ATOM 0 HB2 GLU A 72 -34.770 45.067 -13.030 1.00 72.32 H new ATOM 0 HB3 GLU A 72 -35.212 44.371 -14.576 1.00 72.32 H new ATOM 0 HG2 GLU A 72 -33.095 44.459 -15.302 1.00 1.43 H new ATOM 0 HG3 GLU A 72 -32.984 46.172 -14.952 1.00 1.43 H new ATOM 1030 N CYS A 73 -35.893 46.403 -16.856 1.00 73.03 N ATOM 1031 CA CYS A 73 -36.711 46.183 -18.037 1.00 62.31 C ATOM 1032 C CYS A 73 -37.605 44.968 -17.782 1.00 74.02 C ATOM 1033 O CYS A 73 -38.801 44.965 -18.076 1.00 22.11 O ATOM 1034 CB CYS A 73 -35.855 46.007 -19.293 1.00 42.52 C ATOM 1035 SG CYS A 73 -34.657 47.384 -19.432 1.00 14.54 S ATOM 0 H CYS A 73 -34.931 46.682 -17.049 1.00 73.03 H new ATOM 0 HA CYS A 73 -37.333 47.059 -18.220 1.00 62.31 H new ATOM 0 HB2 CYS A 73 -35.325 45.056 -19.251 1.00 42.52 H new ATOM 0 HB3 CYS A 73 -36.493 45.978 -20.177 1.00 42.52 H new ATOM 0 HG CYS A 73 -35.282 48.470 -19.777 1.00 14.54 H new ATOM 1040 N SER A 74 -36.995 43.928 -17.224 1.00 64.43 N ATOM 1041 CA SER A 74 -37.710 42.693 -16.922 1.00 2.43 C ATOM 1042 C SER A 74 -38.742 42.920 -15.822 1.00 34.43 C ATOM 1043 O SER A 74 -39.884 42.471 -15.925 1.00 3.21 O ATOM 1044 CB SER A 74 -36.727 41.600 -16.497 1.00 41.53 C ATOM 1045 OG SER A 74 -35.852 41.261 -17.559 1.00 41.10 O ATOM 0 H SER A 74 -36.007 43.915 -16.972 1.00 64.43 H new ATOM 0 HA SER A 74 -38.230 42.372 -17.825 1.00 2.43 H new ATOM 0 HB2 SER A 74 -36.148 41.941 -15.639 1.00 41.53 H new ATOM 0 HB3 SER A 74 -37.278 40.715 -16.178 1.00 41.53 H new ATOM 0 HG SER A 74 -35.233 40.562 -17.262 1.00 41.10 H new ATOM 1051 N ALA A 75 -38.332 43.619 -14.768 1.00 72.35 N ATOM 1052 CA ALA A 75 -39.221 43.907 -13.650 1.00 20.03 C ATOM 1053 C ALA A 75 -40.506 44.574 -14.127 1.00 53.24 C ATOM 1054 O ALA A 75 -40.470 45.553 -14.874 1.00 25.52 O ATOM 1055 CB ALA A 75 -38.515 44.787 -12.628 1.00 74.33 C ATOM 0 H ALA A 75 -37.390 43.996 -14.666 1.00 72.35 H new ATOM 0 HA ALA A 75 -39.488 42.962 -13.178 1.00 20.03 H new ATOM 0 HB1 ALA A 75 -39.190 44.994 -11.798 1.00 74.33 H new ATOM 0 HB2 ALA A 75 -37.629 44.273 -12.255 1.00 74.33 H new ATOM 0 HB3 ALA A 75 -38.219 45.725 -13.098 1.00 74.33 H new ATOM 1061 N VAL A 76 -41.643 44.038 -13.693 1.00 4.41 N ATOM 1062 CA VAL A 76 -42.940 44.582 -14.076 1.00 1.40 C ATOM 1063 C VAL A 76 -43.359 45.713 -13.143 1.00 31.22 C ATOM 1064 O VAL A 76 -43.464 45.525 -11.931 1.00 34.24 O ATOM 1065 CB VAL A 76 -44.030 43.494 -14.068 1.00 24.13 C ATOM 1066 CG1 VAL A 76 -43.794 42.511 -12.931 1.00 14.33 C ATOM 1067 CG2 VAL A 76 -45.410 44.124 -13.962 1.00 73.42 C ATOM 0 H VAL A 76 -41.691 43.227 -13.076 1.00 4.41 H new ATOM 0 HA VAL A 76 -42.833 44.971 -15.089 1.00 1.40 H new ATOM 0 HB VAL A 76 -43.978 42.944 -15.008 1.00 24.13 H new ATOM 0 HG11 VAL A 76 -44.574 41.749 -12.941 1.00 14.33 H new ATOM 0 HG12 VAL A 76 -42.821 42.036 -13.057 1.00 14.33 H new ATOM 0 HG13 VAL A 76 -43.818 43.042 -11.980 1.00 14.33 H new ATOM 0 HG21 VAL A 76 -46.168 43.341 -13.958 1.00 73.42 H new ATOM 0 HG22 VAL A 76 -45.477 44.699 -13.039 1.00 73.42 H new ATOM 0 HG23 VAL A 76 -45.575 44.784 -14.814 1.00 73.42 H new ATOM 1077 N PHE A 77 -43.598 46.888 -13.716 1.00 21.23 N ATOM 1078 CA PHE A 77 -44.006 48.050 -12.935 1.00 44.22 C ATOM 1079 C PHE A 77 -45.381 48.545 -13.374 1.00 45.25 C ATOM 1080 O PHE A 77 -45.782 48.355 -14.522 1.00 10.10 O ATOM 1081 CB PHE A 77 -42.977 49.174 -13.079 1.00 22.45 C ATOM 1082 CG PHE A 77 -43.421 50.474 -12.471 1.00 65.23 C ATOM 1083 CD1 PHE A 77 -43.289 50.699 -11.111 1.00 23.25 C ATOM 1084 CD2 PHE A 77 -43.969 51.471 -13.261 1.00 40.24 C ATOM 1085 CE1 PHE A 77 -43.697 51.894 -10.549 1.00 61.03 C ATOM 1086 CE2 PHE A 77 -44.379 52.669 -12.706 1.00 23.32 C ATOM 1087 CZ PHE A 77 -44.241 52.881 -11.348 1.00 74.40 C ATOM 0 H PHE A 77 -43.516 47.061 -14.718 1.00 21.23 H new ATOM 0 HA PHE A 77 -44.064 47.751 -11.888 1.00 44.22 H new ATOM 0 HB2 PHE A 77 -42.043 48.863 -12.611 1.00 22.45 H new ATOM 0 HB3 PHE A 77 -42.767 49.330 -14.137 1.00 22.45 H new ATOM 0 HD1 PHE A 77 -42.862 49.932 -10.482 1.00 23.25 H new ATOM 0 HD2 PHE A 77 -44.077 51.311 -14.324 1.00 40.24 H new ATOM 0 HE1 PHE A 77 -43.591 52.056 -9.487 1.00 61.03 H new ATOM 0 HE2 PHE A 77 -44.806 53.438 -13.333 1.00 23.32 H new ATOM 0 HZ PHE A 77 -44.558 53.817 -10.912 1.00 74.40 H new ATOM 1097 N GLU A 78 -46.097 49.180 -12.452 1.00 43.41 N ATOM 1098 CA GLU A 78 -47.427 49.701 -12.744 1.00 11.41 C ATOM 1099 C GLU A 78 -47.529 51.176 -12.364 1.00 73.20 C ATOM 1100 O GLU A 78 -46.784 51.662 -11.514 1.00 62.21 O ATOM 1101 CB GLU A 78 -48.490 48.895 -11.995 1.00 13.53 C ATOM 1102 CG GLU A 78 -49.362 48.046 -12.903 1.00 73.55 C ATOM 1103 CD GLU A 78 -50.728 47.766 -12.307 1.00 11.01 C ATOM 1104 OE1 GLU A 78 -50.842 47.753 -11.063 1.00 43.15 O ATOM 1105 OE2 GLU A 78 -51.684 47.560 -13.084 1.00 44.44 O ATOM 0 H GLU A 78 -45.779 49.346 -11.497 1.00 43.41 H new ATOM 0 HA GLU A 78 -47.599 49.607 -13.816 1.00 11.41 H new ATOM 0 HB2 GLU A 78 -47.998 48.248 -11.269 1.00 13.53 H new ATOM 0 HB3 GLU A 78 -49.124 49.580 -11.433 1.00 13.53 H new ATOM 0 HG2 GLU A 78 -49.485 48.553 -13.860 1.00 73.55 H new ATOM 0 HG3 GLU A 78 -48.858 47.101 -13.105 1.00 73.55 H new ATOM 1112 N ALA A 79 -48.458 51.882 -13.001 1.00 21.21 N ATOM 1113 CA ALA A 79 -48.659 53.300 -12.730 1.00 33.34 C ATOM 1114 C ALA A 79 -49.748 53.509 -11.682 1.00 60.15 C ATOM 1115 O ALA A 79 -50.728 52.765 -11.635 1.00 4.25 O ATOM 1116 CB ALA A 79 -49.010 54.038 -14.013 1.00 2.11 C ATOM 0 H ALA A 79 -49.083 51.495 -13.708 1.00 21.21 H new ATOM 0 HA ALA A 79 -47.728 53.705 -12.334 1.00 33.34 H new ATOM 0 HB1 ALA A 79 -49.157 55.096 -13.796 1.00 2.11 H new ATOM 0 HB2 ALA A 79 -48.198 53.925 -14.732 1.00 2.11 H new ATOM 0 HB3 ALA A 79 -49.926 53.623 -14.433 1.00 2.11 H new ATOM 1122 N SER A 80 -49.569 54.525 -10.845 1.00 14.42 N ATOM 1123 CA SER A 80 -50.535 54.830 -9.795 1.00 62.51 C ATOM 1124 C SER A 80 -51.948 54.911 -10.364 1.00 31.12 C ATOM 1125 O SER A 80 -52.873 54.287 -9.846 1.00 1.12 O ATOM 1126 CB SER A 80 -50.173 56.147 -9.107 1.00 13.04 C ATOM 1127 OG SER A 80 -50.339 57.245 -9.987 1.00 72.11 O ATOM 0 H SER A 80 -48.764 55.151 -10.873 1.00 14.42 H new ATOM 0 HA SER A 80 -50.504 54.025 -9.061 1.00 62.51 H new ATOM 0 HB2 SER A 80 -50.800 56.285 -8.226 1.00 13.04 H new ATOM 0 HB3 SER A 80 -49.140 56.108 -8.760 1.00 13.04 H new ATOM 0 HG SER A 80 -50.103 58.075 -9.523 1.00 72.11 H new TER 1133 SER A 80 HETATM 1134 ZN ZN A 201 -35.946 65.704 -23.140 1.00 33.35 ZN