USER MOD reduce.3.24.130724 H: found=0, std=0, add=540, rem=0, adj=10 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 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 47 THR OG1 : rot 180:sc= -0.0222 USER MOD Set 2.1: A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 2.2: A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 13 GLN : amide:sc= 0.0497 K(o=0.45,f=-2.9!) USER MOD Set 3.2: A 19 CYS SG : rot 180:sc= 0.402 USER MOD Set 4.1: A 7 GLN : amide:sc= 0.684 K(o=1.2,f=-0.0086) USER MOD Set 4.2: A 9 ASN : amide:sc= 0.519 K(o=1.2,f=-0.0086) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc= -0.118 X(o=-0.12,f=0) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= -4.36! C(o=-4.4!,f=-8.9!) USER MOD Single : A 52 ASN : amide:sc= -1.36 X(o=-1.4,f=-1.3) USER MOD Single : A 65 LYS NZ :NH3+ 170:sc= -2.03 (180deg=-2.22) USER MOD Single : A 68 TYR OH : rot -151:sc= 1.26 USER MOD Single : A 69 HIS :FLIP no HD1:sc= 0.0834 F(o=-3.7!,f=0.083) 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 -62.119 38.684 -53.360 1.00 33.40 N ATOM 2 CA GLY A 1 -61.577 39.636 -52.408 1.00 74.43 C ATOM 3 C GLY A 1 -62.580 40.708 -52.024 1.00 63.10 C ATOM 4 O GLY A 1 -62.573 41.803 -52.588 1.00 24.43 O ATOM 0 H1 GLY A 1 -61.396 37.973 -53.590 1.00 33.40 H new ATOM 0 H2 GLY A 1 -62.948 38.213 -52.946 1.00 33.40 H new ATOM 0 H3 GLY A 1 -62.402 39.183 -54.227 1.00 33.40 H new ATOM 0 HA2 GLY A 1 -61.256 39.106 -51.512 1.00 74.43 H new ATOM 0 HA3 GLY A 1 -60.691 40.107 -52.834 1.00 74.43 H new ATOM 8 N HIS A 2 -63.444 40.392 -51.065 1.00 44.25 N ATOM 9 CA HIS A 2 -64.457 41.337 -50.608 1.00 62.24 C ATOM 10 C HIS A 2 -63.834 42.421 -49.736 1.00 35.45 C ATOM 11 O HIS A 2 -62.683 42.308 -49.315 1.00 40.24 O ATOM 12 CB HIS A 2 -65.552 40.606 -49.832 1.00 44.00 C ATOM 13 CG HIS A 2 -66.913 41.210 -50.003 1.00 44.01 C ATOM 14 ND1 HIS A 2 -67.737 40.920 -51.070 1.00 32.33 N ATOM 15 CD2 HIS A 2 -67.592 42.093 -49.233 1.00 71.25 C ATOM 16 CE1 HIS A 2 -68.864 41.598 -50.950 1.00 22.11 C ATOM 17 NE2 HIS A 2 -68.801 42.318 -49.843 1.00 44.14 N ATOM 0 H HIS A 2 -63.463 39.490 -50.590 1.00 44.25 H new ATOM 0 HA HIS A 2 -64.899 41.811 -51.484 1.00 62.24 H new ATOM 0 HB2 HIS A 2 -65.582 39.565 -50.155 1.00 44.00 H new ATOM 0 HB3 HIS A 2 -65.295 40.603 -48.773 1.00 44.00 H new ATOM 0 HD2 HIS A 2 -67.247 42.537 -48.311 1.00 71.25 H new ATOM 0 HE1 HIS A 2 -69.695 41.569 -51.639 1.00 22.11 H new ATOM 0 HE2 HIS A 2 -69.532 42.940 -49.498 1.00 44.14 H new ATOM 25 N MET A 3 -64.603 43.473 -49.468 1.00 30.44 N ATOM 26 CA MET A 3 -64.126 44.577 -48.643 1.00 34.22 C ATOM 27 C MET A 3 -62.934 45.268 -49.297 1.00 35.35 C ATOM 28 O MET A 3 -61.964 45.617 -48.627 1.00 5.43 O ATOM 29 CB MET A 3 -63.738 44.073 -47.251 1.00 62.13 C ATOM 30 CG MET A 3 -64.176 44.996 -46.126 1.00 24.11 C ATOM 31 SD MET A 3 -65.784 44.546 -45.444 1.00 4.51 S ATOM 32 CE MET A 3 -65.408 44.496 -43.695 1.00 21.21 C ATOM 0 H MET A 3 -65.558 43.583 -49.810 1.00 30.44 H new ATOM 0 HA MET A 3 -64.935 45.301 -48.546 1.00 34.22 H new ATOM 0 HB2 MET A 3 -64.179 43.088 -47.094 1.00 62.13 H new ATOM 0 HB3 MET A 3 -62.656 43.949 -47.207 1.00 62.13 H new ATOM 0 HG2 MET A 3 -63.430 44.974 -45.332 1.00 24.11 H new ATOM 0 HG3 MET A 3 -64.217 46.020 -46.497 1.00 24.11 H new ATOM 0 HE1 MET A 3 -66.306 44.230 -43.137 1.00 21.21 H new ATOM 0 HE2 MET A 3 -64.633 43.752 -43.511 1.00 21.21 H new ATOM 0 HE3 MET A 3 -65.056 45.475 -43.370 1.00 21.21 H new ATOM 42 N GLY A 4 -63.016 45.461 -50.610 1.00 10.22 N ATOM 43 CA GLY A 4 -61.936 46.110 -51.332 1.00 73.13 C ATOM 44 C GLY A 4 -62.021 47.622 -51.267 1.00 71.25 C ATOM 45 O GLY A 4 -63.055 48.205 -51.594 1.00 14.13 O ATOM 0 H GLY A 4 -63.809 45.180 -51.186 1.00 10.22 H new ATOM 0 HA2 GLY A 4 -60.981 45.785 -50.920 1.00 73.13 H new ATOM 0 HA3 GLY A 4 -61.958 45.793 -52.375 1.00 73.13 H new ATOM 49 N GLU A 5 -60.933 48.258 -50.844 1.00 62.43 N ATOM 50 CA GLU A 5 -60.892 49.710 -50.737 1.00 3.25 C ATOM 51 C GLU A 5 -59.599 50.264 -51.329 1.00 2.34 C ATOM 52 O GLU A 5 -58.730 49.508 -51.761 1.00 23.53 O ATOM 53 CB GLU A 5 -61.018 50.139 -49.273 1.00 54.23 C ATOM 54 CG GLU A 5 -59.882 49.646 -48.394 1.00 71.03 C ATOM 55 CD GLU A 5 -60.370 48.821 -47.218 1.00 31.42 C ATOM 56 OE1 GLU A 5 -60.643 49.412 -46.152 1.00 61.54 O ATOM 57 OE2 GLU A 5 -60.477 47.585 -47.363 1.00 53.04 O ATOM 0 H GLU A 5 -60.069 47.790 -50.570 1.00 62.43 H new ATOM 0 HA GLU A 5 -61.732 50.113 -51.302 1.00 3.25 H new ATOM 0 HB2 GLU A 5 -61.058 51.227 -49.224 1.00 54.23 H new ATOM 0 HB3 GLU A 5 -61.962 49.767 -48.874 1.00 54.23 H new ATOM 0 HG2 GLU A 5 -59.197 49.047 -48.994 1.00 71.03 H new ATOM 0 HG3 GLU A 5 -59.317 50.501 -48.023 1.00 71.03 H new ATOM 64 N GLU A 6 -59.481 51.587 -51.346 1.00 60.14 N ATOM 65 CA GLU A 6 -58.296 52.242 -51.888 1.00 24.12 C ATOM 66 C GLU A 6 -57.744 53.270 -50.904 1.00 22.45 C ATOM 67 O GLU A 6 -58.502 53.971 -50.235 1.00 32.15 O ATOM 68 CB GLU A 6 -58.623 52.921 -53.220 1.00 13.02 C ATOM 69 CG GLU A 6 -57.920 52.293 -54.412 1.00 13.43 C ATOM 70 CD GLU A 6 -58.266 52.976 -55.720 1.00 73.03 C ATOM 71 OE1 GLU A 6 -57.650 54.020 -56.024 1.00 74.44 O ATOM 72 OE2 GLU A 6 -59.154 52.469 -56.438 1.00 52.21 O ATOM 0 H GLU A 6 -60.191 52.227 -50.991 1.00 60.14 H new ATOM 0 HA GLU A 6 -57.536 51.478 -52.055 1.00 24.12 H new ATOM 0 HB2 GLU A 6 -59.700 52.883 -53.383 1.00 13.02 H new ATOM 0 HB3 GLU A 6 -58.347 53.974 -53.159 1.00 13.02 H new ATOM 0 HG2 GLU A 6 -56.842 52.337 -54.258 1.00 13.43 H new ATOM 0 HG3 GLU A 6 -58.190 51.239 -54.474 1.00 13.43 H new ATOM 79 N GLN A 7 -56.420 53.350 -50.821 1.00 24.11 N ATOM 80 CA GLN A 7 -55.767 54.290 -49.918 1.00 73.13 C ATOM 81 C GLN A 7 -54.286 54.432 -50.258 1.00 34.44 C ATOM 82 O GLN A 7 -53.699 53.557 -50.892 1.00 21.31 O ATOM 83 CB GLN A 7 -55.928 53.831 -48.468 1.00 21.01 C ATOM 84 CG GLN A 7 -55.067 52.631 -48.110 1.00 63.42 C ATOM 85 CD GLN A 7 -54.591 52.661 -46.671 1.00 73.02 C ATOM 86 OE1 GLN A 7 -55.395 52.745 -45.741 1.00 23.34 O ATOM 87 NE2 GLN A 7 -53.279 52.593 -46.480 1.00 30.15 N ATOM 0 H GLN A 7 -55.779 52.775 -51.368 1.00 24.11 H new ATOM 0 HA GLN A 7 -56.244 55.263 -50.039 1.00 73.13 H new ATOM 0 HB2 GLN A 7 -55.677 54.658 -47.804 1.00 21.01 H new ATOM 0 HB3 GLN A 7 -56.974 53.583 -48.288 1.00 21.01 H new ATOM 0 HG2 GLN A 7 -55.636 51.717 -48.281 1.00 63.42 H new ATOM 0 HG3 GLN A 7 -54.203 52.598 -48.774 1.00 63.42 H new ATOM 0 HE21 GLN A 7 -52.650 52.524 -47.280 1.00 30.15 H new ATOM 0 HE22 GLN A 7 -52.900 52.609 -45.533 1.00 30.15 H new ATOM 96 N TYR A 8 -53.692 55.540 -49.830 1.00 4.33 N ATOM 97 CA TYR A 8 -52.279 55.798 -50.092 1.00 75.42 C ATOM 98 C TYR A 8 -51.394 54.891 -49.245 1.00 31.43 C ATOM 99 O TYR A 8 -51.789 54.448 -48.167 1.00 71.01 O ATOM 100 CB TYR A 8 -51.948 57.264 -49.809 1.00 5.25 C ATOM 101 CG TYR A 8 -51.179 57.937 -50.923 1.00 1.14 C ATOM 102 CD1 TYR A 8 -51.621 57.869 -52.238 1.00 54.44 C ATOM 103 CD2 TYR A 8 -50.008 58.639 -50.662 1.00 11.44 C ATOM 104 CE1 TYR A 8 -50.923 58.481 -53.260 1.00 42.44 C ATOM 105 CE2 TYR A 8 -49.303 59.255 -51.678 1.00 73.20 C ATOM 106 CZ TYR A 8 -49.765 59.173 -52.975 1.00 12.45 C ATOM 107 OH TYR A 8 -49.064 59.786 -53.990 1.00 13.24 O ATOM 0 H TYR A 8 -54.165 56.273 -49.301 1.00 4.33 H new ATOM 0 HA TYR A 8 -52.084 55.585 -51.143 1.00 75.42 H new ATOM 0 HB2 TYR A 8 -52.875 57.811 -49.637 1.00 5.25 H new ATOM 0 HB3 TYR A 8 -51.367 57.325 -48.889 1.00 5.25 H new ATOM 0 HD1 TYR A 8 -52.527 57.327 -52.465 1.00 54.44 H new ATOM 0 HD2 TYR A 8 -49.643 58.704 -49.648 1.00 11.44 H new ATOM 0 HE1 TYR A 8 -51.282 58.418 -54.277 1.00 42.44 H new ATOM 0 HE2 TYR A 8 -48.395 59.798 -51.458 1.00 73.20 H new ATOM 0 HH TYR A 8 -48.273 60.231 -53.619 1.00 13.24 H new ATOM 117 N ASN A 9 -50.192 54.617 -49.740 1.00 1.35 N ATOM 118 CA ASN A 9 -49.247 53.762 -49.030 1.00 51.02 C ATOM 119 C ASN A 9 -47.810 54.171 -49.332 1.00 4.32 C ATOM 120 O ASN A 9 -47.560 55.003 -50.204 1.00 32.43 O ATOM 121 CB ASN A 9 -49.466 52.297 -49.412 1.00 72.13 C ATOM 122 CG ASN A 9 -49.902 51.450 -48.233 1.00 53.22 C ATOM 123 OD1 ASN A 9 -50.911 51.736 -47.588 1.00 42.10 O ATOM 124 ND2 ASN A 9 -49.140 50.400 -47.946 1.00 72.12 N ATOM 0 H ASN A 9 -49.848 54.975 -50.631 1.00 1.35 H new ATOM 0 HA ASN A 9 -49.421 53.880 -47.960 1.00 51.02 H new ATOM 0 HB2 ASN A 9 -50.220 52.238 -50.197 1.00 72.13 H new ATOM 0 HB3 ASN A 9 -48.543 51.891 -49.826 1.00 72.13 H new ATOM 0 HD21 ASN A 9 -49.383 49.793 -47.163 1.00 72.12 H new ATOM 0 HD22 ASN A 9 -48.313 50.201 -48.508 1.00 72.12 H new ATOM 131 N ARG A 10 -46.866 53.577 -48.607 1.00 52.13 N ATOM 132 CA ARG A 10 -45.453 53.879 -48.798 1.00 73.51 C ATOM 133 C ARG A 10 -44.599 52.631 -48.596 1.00 4.31 C ATOM 134 O ARG A 10 -44.346 52.216 -47.465 1.00 50.24 O ATOM 135 CB ARG A 10 -45.008 54.977 -47.830 1.00 60.44 C ATOM 136 CG ARG A 10 -45.683 56.316 -48.078 1.00 53.50 C ATOM 137 CD ARG A 10 -44.841 57.469 -47.554 1.00 1.51 C ATOM 138 NE ARG A 10 -45.649 58.460 -46.848 1.00 43.12 N ATOM 139 CZ ARG A 10 -46.308 59.441 -47.458 1.00 24.53 C ATOM 140 NH1 ARG A 10 -46.256 59.558 -48.778 1.00 2.13 N ATOM 141 NH2 ARG A 10 -47.022 60.303 -46.748 1.00 51.20 N ATOM 0 H ARG A 10 -47.055 52.884 -47.883 1.00 52.13 H new ATOM 0 HA ARG A 10 -45.317 54.230 -49.821 1.00 73.51 H new ATOM 0 HB2 ARG A 10 -45.218 54.657 -46.809 1.00 60.44 H new ATOM 0 HB3 ARG A 10 -43.928 55.104 -47.909 1.00 60.44 H new ATOM 0 HG2 ARG A 10 -45.855 56.446 -49.146 1.00 53.50 H new ATOM 0 HG3 ARG A 10 -46.660 56.328 -47.594 1.00 53.50 H new ATOM 0 HD2 ARG A 10 -44.074 57.082 -46.883 1.00 1.51 H new ATOM 0 HD3 ARG A 10 -44.325 57.948 -48.386 1.00 1.51 H new ATOM 0 HE ARG A 10 -45.711 58.396 -45.832 1.00 43.12 H new ATOM 0 HH11 ARG A 10 -45.710 58.895 -49.328 1.00 2.13 H new ATOM 0 HH12 ARG A 10 -46.762 60.311 -49.244 1.00 2.13 H new ATOM 0 HH21 ARG A 10 -47.066 60.214 -45.733 1.00 51.20 H new ATOM 0 HH22 ARG A 10 -47.527 61.055 -47.217 1.00 51.20 H new ATOM 155 N TYR A 11 -44.157 52.039 -49.700 1.00 24.34 N ATOM 156 CA TYR A 11 -43.333 50.836 -49.643 1.00 3.43 C ATOM 157 C TYR A 11 -42.247 50.968 -48.580 1.00 52.51 C ATOM 158 O TYR A 11 -42.082 50.091 -47.734 1.00 5.31 O ATOM 159 CB TYR A 11 -42.696 50.565 -51.007 1.00 42.50 C ATOM 160 CG TYR A 11 -41.384 49.821 -50.926 1.00 21.35 C ATOM 161 CD1 TYR A 11 -41.352 48.434 -50.830 1.00 10.03 C ATOM 162 CD2 TYR A 11 -40.173 50.502 -50.943 1.00 40.13 C ATOM 163 CE1 TYR A 11 -40.155 47.750 -50.754 1.00 0.25 C ATOM 164 CE2 TYR A 11 -38.970 49.826 -50.869 1.00 65.25 C ATOM 165 CZ TYR A 11 -38.966 48.450 -50.774 1.00 33.52 C ATOM 166 OH TYR A 11 -37.772 47.772 -50.699 1.00 24.01 O ATOM 0 H TYR A 11 -44.355 52.371 -50.644 1.00 24.34 H new ATOM 0 HA TYR A 11 -43.977 49.998 -49.376 1.00 3.43 H new ATOM 0 HB2 TYR A 11 -43.393 49.990 -51.616 1.00 42.50 H new ATOM 0 HB3 TYR A 11 -42.535 51.514 -51.518 1.00 42.50 H new ATOM 0 HD1 TYR A 11 -42.280 47.882 -50.815 1.00 10.03 H new ATOM 0 HD2 TYR A 11 -40.172 51.580 -51.015 1.00 40.13 H new ATOM 0 HE1 TYR A 11 -40.149 46.673 -50.679 1.00 0.25 H new ATOM 0 HE2 TYR A 11 -38.038 50.372 -50.885 1.00 65.25 H new ATOM 0 HH TYR A 11 -37.030 48.412 -50.727 1.00 24.01 H new ATOM 176 N GLN A 12 -41.510 52.074 -48.631 1.00 52.25 N ATOM 177 CA GLN A 12 -40.439 52.323 -47.672 1.00 71.44 C ATOM 178 C GLN A 12 -40.821 51.813 -46.287 1.00 10.43 C ATOM 179 O GLN A 12 -40.078 51.049 -45.671 1.00 2.02 O ATOM 180 CB GLN A 12 -40.120 53.817 -47.610 1.00 12.13 C ATOM 181 CG GLN A 12 -38.650 54.134 -47.831 1.00 51.15 C ATOM 182 CD GLN A 12 -38.190 55.349 -47.049 1.00 4.25 C ATOM 183 OE1 GLN A 12 -38.137 55.324 -45.818 1.00 3.11 O ATOM 184 NE2 GLN A 12 -37.856 56.419 -47.759 1.00 4.41 N ATOM 0 H GLN A 12 -41.635 52.811 -49.325 1.00 52.25 H new ATOM 0 HA GLN A 12 -39.552 51.784 -48.005 1.00 71.44 H new ATOM 0 HB2 GLN A 12 -40.713 54.338 -48.362 1.00 12.13 H new ATOM 0 HB3 GLN A 12 -40.425 54.205 -46.638 1.00 12.13 H new ATOM 0 HG2 GLN A 12 -38.049 53.272 -47.542 1.00 51.15 H new ATOM 0 HG3 GLN A 12 -38.475 54.303 -48.893 1.00 51.15 H new ATOM 0 HE21 GLN A 12 -37.915 56.394 -48.777 1.00 4.41 H new ATOM 0 HE22 GLN A 12 -37.540 57.266 -47.287 1.00 4.41 H new ATOM 193 N GLN A 13 -41.981 52.241 -45.802 1.00 51.23 N ATOM 194 CA GLN A 13 -42.460 51.829 -44.488 1.00 21.52 C ATOM 195 C GLN A 13 -43.574 50.793 -44.614 1.00 43.30 C ATOM 196 O GLN A 13 -44.042 50.503 -45.715 1.00 41.33 O ATOM 197 CB GLN A 13 -42.961 53.041 -43.702 1.00 33.44 C ATOM 198 CG GLN A 13 -41.913 53.645 -42.782 1.00 51.24 C ATOM 199 CD GLN A 13 -41.751 55.139 -42.984 1.00 62.34 C ATOM 200 OE1 GLN A 13 -42.408 55.737 -43.837 1.00 35.12 O ATOM 201 NE2 GLN A 13 -40.873 55.752 -42.198 1.00 31.23 N ATOM 0 H GLN A 13 -42.608 52.874 -46.300 1.00 51.23 H new ATOM 0 HA GLN A 13 -41.627 51.376 -43.951 1.00 21.52 H new ATOM 0 HB2 GLN A 13 -43.300 53.804 -44.403 1.00 33.44 H new ATOM 0 HB3 GLN A 13 -43.827 52.746 -43.109 1.00 33.44 H new ATOM 0 HG2 GLN A 13 -42.189 53.450 -41.746 1.00 51.24 H new ATOM 0 HG3 GLN A 13 -40.956 53.153 -42.955 1.00 51.24 H new ATOM 0 HE21 GLN A 13 -40.350 55.218 -41.504 1.00 31.23 H new ATOM 0 HE22 GLN A 13 -40.722 56.757 -42.288 1.00 31.23 H new ATOM 210 N TYR A 14 -43.990 50.241 -43.482 1.00 31.31 N ATOM 211 CA TYR A 14 -45.047 49.235 -43.467 1.00 14.34 C ATOM 212 C TYR A 14 -46.339 49.812 -42.895 1.00 24.13 C ATOM 213 O TYR A 14 -46.335 50.869 -42.266 1.00 32.44 O ATOM 214 CB TYR A 14 -44.611 48.021 -42.646 1.00 22.24 C ATOM 215 CG TYR A 14 -43.968 46.930 -43.472 1.00 10.10 C ATOM 216 CD1 TYR A 14 -42.858 47.196 -44.266 1.00 55.13 C ATOM 217 CD2 TYR A 14 -44.467 45.634 -43.458 1.00 71.20 C ATOM 218 CE1 TYR A 14 -42.267 46.204 -45.023 1.00 70.34 C ATOM 219 CE2 TYR A 14 -43.882 44.635 -44.211 1.00 63.23 C ATOM 220 CZ TYR A 14 -42.782 44.924 -44.993 1.00 73.13 C ATOM 221 OH TYR A 14 -42.198 43.932 -45.745 1.00 5.04 O ATOM 0 H TYR A 14 -43.613 50.472 -42.563 1.00 31.31 H new ATOM 0 HA TYR A 14 -45.233 48.923 -44.495 1.00 14.34 H new ATOM 0 HB2 TYR A 14 -43.909 48.346 -41.878 1.00 22.24 H new ATOM 0 HB3 TYR A 14 -45.479 47.611 -42.131 1.00 22.24 H new ATOM 0 HD1 TYR A 14 -42.451 48.196 -44.291 1.00 55.13 H new ATOM 0 HD2 TYR A 14 -45.328 45.403 -42.848 1.00 71.20 H new ATOM 0 HE1 TYR A 14 -41.406 46.429 -45.635 1.00 70.34 H new ATOM 0 HE2 TYR A 14 -44.283 43.633 -44.188 1.00 63.23 H new ATOM 0 HH TYR A 14 -42.682 43.091 -45.609 1.00 5.04 H new ATOM 231 N GLY A 15 -47.444 49.107 -43.120 1.00 42.11 N ATOM 232 CA GLY A 15 -48.729 49.562 -42.621 1.00 4.40 C ATOM 233 C GLY A 15 -48.628 50.178 -41.240 1.00 53.35 C ATOM 234 O GLY A 15 -49.241 51.212 -40.969 1.00 1.13 O ATOM 0 H GLY A 15 -47.472 48.229 -43.639 1.00 42.11 H new ATOM 0 HA2 GLY A 15 -49.146 50.294 -43.313 1.00 4.40 H new ATOM 0 HA3 GLY A 15 -49.422 48.721 -42.591 1.00 4.40 H new ATOM 238 N ALA A 16 -47.858 49.544 -40.364 1.00 20.11 N ATOM 239 CA ALA A 16 -47.681 50.036 -39.003 1.00 31.51 C ATOM 240 C ALA A 16 -46.642 51.152 -38.956 1.00 3.15 C ATOM 241 O ALA A 16 -45.932 51.392 -39.930 1.00 43.41 O ATOM 242 CB ALA A 16 -47.279 48.897 -38.078 1.00 53.55 C ATOM 0 H ALA A 16 -47.346 48.687 -40.572 1.00 20.11 H new ATOM 0 HA ALA A 16 -48.632 50.445 -38.663 1.00 31.51 H new ATOM 0 HB1 ALA A 16 -47.150 49.279 -37.065 1.00 53.55 H new ATOM 0 HB2 ALA A 16 -48.057 48.133 -38.082 1.00 53.55 H new ATOM 0 HB3 ALA A 16 -46.341 48.461 -38.423 1.00 53.55 H new ATOM 248 N GLU A 17 -46.559 51.829 -37.814 1.00 75.03 N ATOM 249 CA GLU A 17 -45.608 52.919 -37.640 1.00 52.25 C ATOM 250 C GLU A 17 -44.412 52.471 -36.807 1.00 53.32 C ATOM 251 O GLU A 17 -44.503 52.356 -35.584 1.00 45.20 O ATOM 252 CB GLU A 17 -46.289 54.118 -36.974 1.00 11.40 C ATOM 253 CG GLU A 17 -45.569 55.434 -37.211 1.00 54.51 C ATOM 254 CD GLU A 17 -45.754 56.415 -36.068 1.00 22.12 C ATOM 255 OE1 GLU A 17 -46.059 55.965 -34.944 1.00 62.01 O ATOM 256 OE2 GLU A 17 -45.593 57.631 -36.300 1.00 51.12 O ATOM 0 H GLU A 17 -47.139 51.641 -36.996 1.00 75.03 H new ATOM 0 HA GLU A 17 -45.250 53.215 -38.626 1.00 52.25 H new ATOM 0 HB2 GLU A 17 -47.310 54.199 -37.348 1.00 11.40 H new ATOM 0 HB3 GLU A 17 -46.356 53.938 -35.901 1.00 11.40 H new ATOM 0 HG2 GLU A 17 -44.505 55.242 -37.351 1.00 54.51 H new ATOM 0 HG3 GLU A 17 -45.936 55.884 -38.134 1.00 54.51 H new ATOM 263 N GLU A 18 -43.292 52.218 -37.477 1.00 12.30 N ATOM 264 CA GLU A 18 -42.078 51.780 -36.798 1.00 50.00 C ATOM 265 C GLU A 18 -40.841 52.394 -37.445 1.00 4.14 C ATOM 266 O GLU A 18 -40.488 52.059 -38.576 1.00 65.34 O ATOM 267 CB GLU A 18 -41.975 50.254 -36.822 1.00 70.25 C ATOM 268 CG GLU A 18 -42.031 49.662 -38.221 1.00 33.41 C ATOM 269 CD GLU A 18 -40.817 48.815 -38.544 1.00 24.50 C ATOM 270 OE1 GLU A 18 -40.497 47.906 -37.749 1.00 62.13 O ATOM 271 OE2 GLU A 18 -40.186 49.060 -39.594 1.00 51.22 O ATOM 0 H GLU A 18 -43.200 52.309 -38.489 1.00 12.30 H new ATOM 0 HA GLU A 18 -42.131 52.117 -35.763 1.00 50.00 H new ATOM 0 HB2 GLU A 18 -41.041 49.954 -36.347 1.00 70.25 H new ATOM 0 HB3 GLU A 18 -42.785 49.834 -36.226 1.00 70.25 H new ATOM 0 HG2 GLU A 18 -42.930 49.054 -38.318 1.00 33.41 H new ATOM 0 HG3 GLU A 18 -42.111 50.468 -38.950 1.00 33.41 H new ATOM 278 N CYS A 19 -40.186 53.295 -36.721 1.00 33.21 N ATOM 279 CA CYS A 19 -38.988 53.957 -37.225 1.00 15.31 C ATOM 280 C CYS A 19 -37.935 54.084 -36.129 1.00 30.50 C ATOM 281 O CYS A 19 -38.031 54.950 -35.259 1.00 23.25 O ATOM 282 CB CYS A 19 -39.339 55.341 -37.774 1.00 11.10 C ATOM 283 SG CYS A 19 -38.943 55.563 -39.523 1.00 64.24 S ATOM 0 H CYS A 19 -40.464 53.584 -35.783 1.00 33.21 H new ATOM 0 HA CYS A 19 -38.577 53.348 -38.030 1.00 15.31 H new ATOM 0 HB2 CYS A 19 -40.405 55.518 -37.628 1.00 11.10 H new ATOM 0 HB3 CYS A 19 -38.808 56.096 -37.194 1.00 11.10 H new ATOM 0 HG CYS A 19 -39.278 56.763 -39.895 1.00 64.24 H new ATOM 289 N VAL A 20 -36.931 53.214 -36.176 1.00 61.43 N ATOM 290 CA VAL A 20 -35.860 53.227 -35.187 1.00 63.22 C ATOM 291 C VAL A 20 -36.420 53.161 -33.770 1.00 4.44 C ATOM 292 O VAL A 20 -36.024 53.937 -32.899 1.00 52.25 O ATOM 293 CB VAL A 20 -34.985 54.487 -35.326 1.00 32.22 C ATOM 294 CG1 VAL A 20 -33.686 54.322 -34.550 1.00 64.25 C ATOM 295 CG2 VAL A 20 -34.708 54.785 -36.791 1.00 51.02 C ATOM 0 H VAL A 20 -36.837 52.491 -36.889 1.00 61.43 H new ATOM 0 HA VAL A 20 -35.246 52.346 -35.372 1.00 63.22 H new ATOM 0 HB VAL A 20 -35.527 55.334 -34.905 1.00 32.22 H new ATOM 0 HG11 VAL A 20 -33.080 55.221 -34.659 1.00 64.25 H new ATOM 0 HG12 VAL A 20 -33.910 54.161 -33.495 1.00 64.25 H new ATOM 0 HG13 VAL A 20 -33.136 53.465 -34.939 1.00 64.25 H new ATOM 0 HG21 VAL A 20 -34.089 55.678 -36.870 1.00 51.02 H new ATOM 0 HG22 VAL A 20 -34.186 53.941 -37.242 1.00 51.02 H new ATOM 0 HG23 VAL A 20 -35.650 54.950 -37.313 1.00 51.02 H new ATOM 305 N LEU A 21 -37.341 52.231 -33.547 1.00 42.32 N ATOM 306 CA LEU A 21 -37.955 52.064 -32.235 1.00 75.42 C ATOM 307 C LEU A 21 -37.052 51.256 -31.309 1.00 30.40 C ATOM 308 O LEU A 21 -37.488 50.780 -30.261 1.00 11.44 O ATOM 309 CB LEU A 21 -39.314 51.373 -32.369 1.00 44.21 C ATOM 310 CG LEU A 21 -39.278 49.864 -32.612 1.00 52.43 C ATOM 311 CD1 LEU A 21 -39.844 49.118 -31.415 1.00 12.11 C ATOM 312 CD2 LEU A 21 -40.048 49.510 -33.877 1.00 60.14 C ATOM 0 H LEU A 21 -37.679 51.581 -34.257 1.00 42.32 H new ATOM 0 HA LEU A 21 -38.098 53.054 -31.801 1.00 75.42 H new ATOM 0 HB2 LEU A 21 -39.886 51.561 -31.460 1.00 44.21 H new ATOM 0 HB3 LEU A 21 -39.857 51.840 -33.190 1.00 44.21 H new ATOM 0 HG LEU A 21 -38.240 49.560 -32.745 1.00 52.43 H new ATOM 0 HD11 LEU A 21 -39.810 48.045 -31.606 1.00 12.11 H new ATOM 0 HD12 LEU A 21 -39.251 49.348 -30.530 1.00 12.11 H new ATOM 0 HD13 LEU A 21 -40.877 49.425 -31.250 1.00 12.11 H new ATOM 0 HD21 LEU A 21 -40.012 48.432 -34.035 1.00 60.14 H new ATOM 0 HD22 LEU A 21 -41.086 49.827 -33.772 1.00 60.14 H new ATOM 0 HD23 LEU A 21 -39.598 50.017 -34.731 1.00 60.14 H new ATOM 324 N GLN A 22 -35.791 51.106 -31.704 1.00 53.13 N ATOM 325 CA GLN A 22 -34.825 50.357 -30.909 1.00 74.25 C ATOM 326 C GLN A 22 -34.030 51.287 -30.000 1.00 21.33 C ATOM 327 O GLN A 22 -34.099 52.508 -30.132 1.00 33.31 O ATOM 328 CB GLN A 22 -33.875 49.580 -31.821 1.00 64.14 C ATOM 329 CG GLN A 22 -33.065 50.469 -32.752 1.00 25.41 C ATOM 330 CD GLN A 22 -32.138 49.676 -33.653 1.00 11.04 C ATOM 331 OE1 GLN A 22 -30.971 49.457 -33.323 1.00 0.11 O ATOM 332 NE2 GLN A 22 -32.651 49.243 -34.799 1.00 55.41 N ATOM 0 H GLN A 22 -35.415 51.493 -32.570 1.00 53.13 H new ATOM 0 HA GLN A 22 -35.375 49.652 -30.285 1.00 74.25 H new ATOM 0 HB2 GLN A 22 -33.192 48.994 -31.206 1.00 64.14 H new ATOM 0 HB3 GLN A 22 -34.453 48.874 -32.417 1.00 64.14 H new ATOM 0 HG2 GLN A 22 -33.744 51.061 -33.366 1.00 25.41 H new ATOM 0 HG3 GLN A 22 -32.478 51.170 -32.159 1.00 25.41 H new ATOM 0 HE21 GLN A 22 -33.623 49.447 -35.032 1.00 55.41 H new ATOM 0 HE22 GLN A 22 -32.073 48.706 -35.446 1.00 55.41 H new ATOM 341 N MET A 23 -33.277 50.701 -29.074 1.00 64.21 N ATOM 342 CA MET A 23 -32.468 51.478 -28.143 1.00 41.43 C ATOM 343 C MET A 23 -31.394 52.268 -28.885 1.00 12.01 C ATOM 344 O MET A 23 -31.191 52.085 -30.085 1.00 34.42 O ATOM 345 CB MET A 23 -31.818 50.559 -27.109 1.00 21.13 C ATOM 346 CG MET A 23 -30.594 49.824 -27.632 1.00 22.01 C ATOM 347 SD MET A 23 -31.002 48.611 -28.902 1.00 43.04 S ATOM 348 CE MET A 23 -29.640 48.841 -30.042 1.00 52.43 C ATOM 0 H MET A 23 -33.211 49.691 -28.949 1.00 64.21 H new ATOM 0 HA MET A 23 -33.124 52.182 -27.631 1.00 41.43 H new ATOM 0 HB2 MET A 23 -31.532 51.150 -26.239 1.00 21.13 H new ATOM 0 HB3 MET A 23 -32.553 49.829 -26.771 1.00 21.13 H new ATOM 0 HG2 MET A 23 -29.887 50.547 -28.039 1.00 22.01 H new ATOM 0 HG3 MET A 23 -30.095 49.322 -26.803 1.00 22.01 H new ATOM 0 HE1 MET A 23 -29.751 48.158 -30.884 1.00 52.43 H new ATOM 0 HE2 MET A 23 -29.639 49.869 -30.406 1.00 52.43 H new ATOM 0 HE3 MET A 23 -28.699 48.636 -29.531 1.00 52.43 H new ATOM 358 N GLY A 24 -30.708 53.149 -28.162 1.00 23.23 N ATOM 359 CA GLY A 24 -29.664 53.953 -28.768 1.00 10.33 C ATOM 360 C GLY A 24 -30.214 55.169 -29.487 1.00 62.05 C ATOM 361 O GLY A 24 -30.494 56.194 -28.867 1.00 24.32 O ATOM 0 H GLY A 24 -30.857 53.320 -27.168 1.00 23.23 H new ATOM 0 HA2 GLY A 24 -28.964 54.276 -27.997 1.00 10.33 H new ATOM 0 HA3 GLY A 24 -29.101 53.341 -29.473 1.00 10.33 H new ATOM 365 N GLY A 25 -30.368 55.057 -30.804 1.00 22.11 N ATOM 366 CA GLY A 25 -30.885 56.163 -31.588 1.00 24.30 C ATOM 367 C GLY A 25 -32.323 56.493 -31.246 1.00 22.32 C ATOM 368 O GLY A 25 -33.243 56.117 -31.972 1.00 40.14 O ATOM 0 H GLY A 25 -30.144 54.219 -31.341 1.00 22.11 H new ATOM 0 HA2 GLY A 25 -30.264 57.043 -31.422 1.00 24.30 H new ATOM 0 HA3 GLY A 25 -30.814 55.918 -32.648 1.00 24.30 H new ATOM 372 N VAL A 26 -32.519 57.197 -30.136 1.00 73.35 N ATOM 373 CA VAL A 26 -33.858 57.576 -29.699 1.00 55.21 C ATOM 374 C VAL A 26 -33.906 59.044 -29.286 1.00 24.05 C ATOM 375 O VAL A 26 -32.889 59.740 -29.310 1.00 21.21 O ATOM 376 CB VAL A 26 -34.331 56.708 -28.518 1.00 21.24 C ATOM 377 CG1 VAL A 26 -34.355 55.239 -28.911 1.00 40.35 C ATOM 378 CG2 VAL A 26 -33.440 56.929 -27.304 1.00 62.21 C ATOM 0 H VAL A 26 -31.769 57.516 -29.523 1.00 73.35 H new ATOM 0 HA VAL A 26 -34.524 57.417 -30.547 1.00 55.21 H new ATOM 0 HB VAL A 26 -35.346 57.006 -28.255 1.00 21.24 H new ATOM 0 HG11 VAL A 26 -34.692 54.641 -28.064 1.00 40.35 H new ATOM 0 HG12 VAL A 26 -35.038 55.098 -29.749 1.00 40.35 H new ATOM 0 HG13 VAL A 26 -33.353 54.924 -29.202 1.00 40.35 H new ATOM 0 HG21 VAL A 26 -33.789 56.308 -26.479 1.00 62.21 H new ATOM 0 HG22 VAL A 26 -32.413 56.660 -27.552 1.00 62.21 H new ATOM 0 HG23 VAL A 26 -33.479 57.978 -27.010 1.00 62.21 H new ATOM 388 N LEU A 27 -35.092 59.508 -28.908 1.00 14.03 N ATOM 389 CA LEU A 27 -35.273 60.894 -28.489 1.00 43.14 C ATOM 390 C LEU A 27 -36.159 60.977 -27.251 1.00 21.45 C ATOM 391 O LEU A 27 -36.863 60.015 -26.949 1.00 24.52 O ATOM 392 CB LEU A 27 -35.885 61.715 -29.625 1.00 51.13 C ATOM 393 CG LEU A 27 -37.226 61.217 -30.165 1.00 71.51 C ATOM 394 CD1 LEU A 27 -38.372 62.028 -29.580 1.00 2.03 C ATOM 395 CD2 LEU A 27 -37.246 61.281 -31.686 1.00 12.21 C ATOM 0 H LEU A 27 -35.942 58.945 -28.883 1.00 14.03 H new ATOM 0 HA LEU A 27 -34.294 61.304 -28.240 1.00 43.14 H new ATOM 0 HB2 LEU A 27 -36.014 62.740 -29.277 1.00 51.13 H new ATOM 0 HB3 LEU A 27 -35.173 61.745 -30.449 1.00 51.13 H new ATOM 0 HG LEU A 27 -37.353 60.177 -29.864 1.00 71.51 H new ATOM 0 HD11 LEU A 27 -39.318 61.659 -29.976 1.00 2.03 H new ATOM 0 HD12 LEU A 27 -38.370 61.930 -28.494 1.00 2.03 H new ATOM 0 HD13 LEU A 27 -38.250 63.077 -29.850 1.00 2.03 H new ATOM 0 HD21 LEU A 27 -38.208 60.923 -32.053 1.00 12.21 H new ATOM 0 HD22 LEU A 27 -37.095 62.311 -32.009 1.00 12.21 H new ATOM 0 HD23 LEU A 27 -36.449 60.655 -32.087 1.00 12.21 H new ATOM 407 N CYS A 28 -36.108 62.112 -26.571 1.00 14.22 N ATOM 408 CA CYS A 28 -36.910 62.306 -25.374 1.00 40.32 C ATOM 409 C CYS A 28 -38.365 61.974 -25.714 1.00 42.14 C ATOM 410 O CYS A 28 -38.941 62.436 -26.699 1.00 11.34 O ATOM 411 CB CYS A 28 -36.764 63.723 -24.817 1.00 1.43 C ATOM 412 SG CYS A 28 -36.672 63.670 -22.990 1.00 62.05 S ATOM 0 H CYS A 28 -35.523 62.908 -26.826 1.00 14.22 H new ATOM 0 HA CYS A 28 -36.559 61.640 -24.586 1.00 40.32 H new ATOM 0 HB2 CYS A 28 -35.866 64.191 -25.221 1.00 1.43 H new ATOM 0 HB3 CYS A 28 -37.611 64.335 -25.129 1.00 1.43 H new ATOM 417 N PRO A 29 -38.971 61.139 -24.858 1.00 52.03 N ATOM 418 CA PRO A 29 -40.364 60.710 -25.021 1.00 2.42 C ATOM 419 C PRO A 29 -41.353 61.843 -24.769 1.00 51.35 C ATOM 420 O PRO A 29 -42.499 61.789 -25.215 1.00 4.35 O ATOM 421 CB PRO A 29 -40.525 59.616 -23.963 1.00 22.14 C ATOM 422 CG PRO A 29 -39.505 59.939 -22.926 1.00 63.34 C ATOM 423 CD PRO A 29 -38.346 60.550 -23.662 1.00 3.52 C ATOM 0 HA PRO A 29 -40.570 60.373 -26.037 1.00 2.42 H new ATOM 0 HB2 PRO A 29 -41.531 59.617 -23.543 1.00 22.14 H new ATOM 0 HB3 PRO A 29 -40.358 58.626 -24.388 1.00 22.14 H new ATOM 0 HG2 PRO A 29 -39.906 60.632 -22.186 1.00 63.34 H new ATOM 0 HG3 PRO A 29 -39.197 59.042 -22.389 1.00 63.34 H new ATOM 0 HD2 PRO A 29 -37.841 61.305 -23.060 1.00 3.52 H new ATOM 0 HD3 PRO A 29 -37.599 59.802 -23.927 1.00 3.52 H new ATOM 431 N ARG A 30 -40.901 62.868 -24.055 1.00 52.23 N ATOM 432 CA ARG A 30 -41.748 64.015 -23.744 1.00 22.44 C ATOM 433 C ARG A 30 -42.180 64.733 -25.019 1.00 53.23 C ATOM 434 O ARG A 30 -41.424 64.848 -25.984 1.00 64.01 O ATOM 435 CB ARG A 30 -41.008 64.987 -22.824 1.00 23.03 C ATOM 436 CG ARG A 30 -41.038 64.583 -21.360 1.00 2.31 C ATOM 437 CD ARG A 30 -40.156 63.371 -21.098 1.00 60.53 C ATOM 438 NE ARG A 30 -40.436 62.760 -19.801 1.00 42.43 N ATOM 439 CZ ARG A 30 -39.904 63.185 -18.660 1.00 21.01 C ATOM 440 NH1 ARG A 30 -39.070 64.215 -18.657 1.00 35.13 N ATOM 441 NH2 ARG A 30 -40.206 62.577 -17.520 1.00 1.04 N ATOM 0 H ARG A 30 -39.954 62.929 -23.681 1.00 52.23 H new ATOM 0 HA ARG A 30 -42.639 63.650 -23.234 1.00 22.44 H new ATOM 0 HB2 ARG A 30 -39.971 65.064 -23.150 1.00 23.03 H new ATOM 0 HB3 ARG A 30 -41.449 65.979 -22.927 1.00 23.03 H new ATOM 0 HG2 ARG A 30 -40.703 65.418 -20.744 1.00 2.31 H new ATOM 0 HG3 ARG A 30 -42.063 64.359 -21.064 1.00 2.31 H new ATOM 0 HD2 ARG A 30 -40.309 62.634 -21.886 1.00 60.53 H new ATOM 0 HD3 ARG A 30 -39.108 63.669 -21.140 1.00 60.53 H new ATOM 0 HE ARG A 30 -41.074 61.965 -19.770 1.00 42.43 H new ATOM 0 HH11 ARG A 30 -38.835 64.684 -19.532 1.00 35.13 H new ATOM 0 HH12 ARG A 30 -38.663 64.539 -17.780 1.00 35.13 H new ATOM 0 HH21 ARG A 30 -40.847 61.783 -17.519 1.00 1.04 H new ATOM 0 HH22 ARG A 30 -39.798 62.903 -16.644 1.00 1.04 H new ATOM 455 N PRO A 31 -43.427 65.228 -25.026 1.00 63.11 N ATOM 456 CA PRO A 31 -43.989 65.942 -26.176 1.00 11.21 C ATOM 457 C PRO A 31 -43.341 67.307 -26.383 1.00 40.41 C ATOM 458 O PRO A 31 -43.639 68.262 -25.667 1.00 44.12 O ATOM 459 CB PRO A 31 -45.466 66.103 -25.808 1.00 21.24 C ATOM 460 CG PRO A 31 -45.490 66.061 -24.319 1.00 74.40 C ATOM 461 CD PRO A 31 -44.383 65.128 -23.911 1.00 74.33 C ATOM 0 HA PRO A 31 -43.825 65.404 -27.109 1.00 11.21 H new ATOM 0 HB2 PRO A 31 -45.868 67.044 -26.184 1.00 21.24 H new ATOM 0 HB3 PRO A 31 -46.071 65.304 -26.237 1.00 21.24 H new ATOM 0 HG2 PRO A 31 -45.337 67.055 -23.898 1.00 74.40 H new ATOM 0 HG3 PRO A 31 -46.454 65.705 -23.954 1.00 74.40 H new ATOM 0 HD2 PRO A 31 -43.931 65.429 -22.966 1.00 74.33 H new ATOM 0 HD3 PRO A 31 -44.744 64.108 -23.781 1.00 74.33 H new ATOM 469 N GLY A 32 -42.451 67.392 -27.367 1.00 65.21 N ATOM 470 CA GLY A 32 -41.775 68.644 -27.651 1.00 10.40 C ATOM 471 C GLY A 32 -40.266 68.523 -27.564 1.00 65.42 C ATOM 472 O GLY A 32 -39.594 68.675 -28.582 1.00 63.44 O ATOM 0 H GLY A 32 -42.186 66.615 -27.973 1.00 65.21 H new ATOM 0 HA2 GLY A 32 -42.052 68.984 -28.649 1.00 10.40 H new ATOM 0 HA3 GLY A 32 -42.116 69.405 -26.949 1.00 10.40 H new ATOM 476 N CYS A 33 -39.765 68.253 -26.367 1.00 72.44 N ATOM 477 CA CYS A 33 -38.334 68.116 -26.169 1.00 23.44 C ATOM 478 C CYS A 33 -37.826 66.999 -27.083 1.00 61.12 C ATOM 479 O CYS A 33 -38.022 65.810 -26.832 1.00 2.21 O ATOM 480 CB CYS A 33 -37.988 67.852 -24.702 1.00 15.20 C ATOM 481 SG CYS A 33 -36.325 67.098 -24.575 1.00 62.42 S ATOM 0 H CYS A 33 -40.326 68.126 -25.525 1.00 72.44 H new ATOM 0 HA CYS A 33 -37.839 69.051 -26.429 1.00 23.44 H new ATOM 0 HB2 CYS A 33 -38.017 68.785 -24.140 1.00 15.20 H new ATOM 0 HB3 CYS A 33 -38.731 67.190 -24.258 1.00 15.20 H new ATOM 486 N GLY A 34 -37.164 67.411 -28.160 1.00 34.53 N ATOM 487 CA GLY A 34 -36.630 66.456 -29.113 1.00 24.11 C ATOM 488 C GLY A 34 -35.168 66.141 -28.859 1.00 51.22 C ATOM 489 O GLY A 34 -34.348 66.189 -29.775 1.00 5.31 O ATOM 0 H GLY A 34 -36.988 68.389 -28.389 1.00 34.53 H new ATOM 0 HA2 GLY A 34 -37.211 65.535 -29.065 1.00 24.11 H new ATOM 0 HA3 GLY A 34 -36.744 66.852 -30.122 1.00 24.11 H new ATOM 493 N ALA A 35 -34.842 65.818 -27.612 1.00 14.02 N ATOM 494 CA ALA A 35 -33.470 65.494 -27.240 1.00 72.03 C ATOM 495 C ALA A 35 -32.746 64.785 -28.380 1.00 15.55 C ATOM 496 O ALA A 35 -31.720 65.258 -28.867 1.00 75.43 O ATOM 497 CB ALA A 35 -33.453 64.635 -25.985 1.00 21.34 C ATOM 0 H ALA A 35 -35.509 65.774 -26.842 1.00 14.02 H new ATOM 0 HA ALA A 35 -32.944 66.427 -27.035 1.00 72.03 H new ATOM 0 HB1 ALA A 35 -32.422 64.400 -25.719 1.00 21.34 H new ATOM 0 HB2 ALA A 35 -33.925 65.178 -25.166 1.00 21.34 H new ATOM 0 HB3 ALA A 35 -33.999 63.710 -26.170 1.00 21.34 H new ATOM 503 N GLY A 36 -33.287 63.644 -28.799 1.00 1.12 N ATOM 504 CA GLY A 36 -32.678 62.889 -29.878 1.00 32.54 C ATOM 505 C GLY A 36 -31.164 62.888 -29.804 1.00 54.44 C ATOM 506 O GLY A 36 -30.499 63.604 -30.556 1.00 34.43 O ATOM 0 H GLY A 36 -34.135 63.230 -28.411 1.00 1.12 H new ATOM 0 HA2 GLY A 36 -33.041 61.862 -29.848 1.00 32.54 H new ATOM 0 HA3 GLY A 36 -32.991 63.310 -30.833 1.00 32.54 H new ATOM 510 N LEU A 37 -30.618 62.088 -28.896 1.00 12.31 N ATOM 511 CA LEU A 37 -29.171 62.001 -28.725 1.00 4.24 C ATOM 512 C LEU A 37 -28.750 60.579 -28.364 1.00 75.04 C ATOM 513 O LEU A 37 -29.296 59.977 -27.439 1.00 32.42 O ATOM 514 CB LEU A 37 -28.706 62.974 -27.641 1.00 14.10 C ATOM 515 CG LEU A 37 -29.536 62.995 -26.357 1.00 53.45 C ATOM 516 CD1 LEU A 37 -28.898 62.114 -25.294 1.00 55.23 C ATOM 517 CD2 LEU A 37 -29.692 64.422 -25.848 1.00 34.42 C ATOM 0 H LEU A 37 -31.154 61.490 -28.267 1.00 12.31 H new ATOM 0 HA LEU A 37 -28.701 62.270 -29.671 1.00 4.24 H new ATOM 0 HB2 LEU A 37 -27.676 62.731 -27.380 1.00 14.10 H new ATOM 0 HB3 LEU A 37 -28.699 63.979 -28.062 1.00 14.10 H new ATOM 0 HG LEU A 37 -30.527 62.599 -26.580 1.00 53.45 H new ATOM 0 HD11 LEU A 37 -29.503 62.142 -24.388 1.00 55.23 H new ATOM 0 HD12 LEU A 37 -28.838 61.089 -25.659 1.00 55.23 H new ATOM 0 HD13 LEU A 37 -27.895 62.479 -25.072 1.00 55.23 H new ATOM 0 HD21 LEU A 37 -30.285 64.419 -24.934 1.00 34.42 H new ATOM 0 HD22 LEU A 37 -28.709 64.844 -25.641 1.00 34.42 H new ATOM 0 HD23 LEU A 37 -30.194 65.025 -26.604 1.00 34.42 H new ATOM 529 N LEU A 38 -27.776 60.052 -29.098 1.00 34.10 N ATOM 530 CA LEU A 38 -27.280 58.703 -28.852 1.00 42.15 C ATOM 531 C LEU A 38 -26.646 58.597 -27.470 1.00 12.14 C ATOM 532 O LEU A 38 -25.586 59.163 -27.202 1.00 24.22 O ATOM 533 CB LEU A 38 -26.262 58.311 -29.925 1.00 33.33 C ATOM 534 CG LEU A 38 -25.863 56.836 -29.963 1.00 63.43 C ATOM 535 CD1 LEU A 38 -26.971 55.998 -30.582 1.00 61.51 C ATOM 536 CD2 LEU A 38 -24.563 56.655 -30.734 1.00 20.43 C ATOM 0 H LEU A 38 -27.315 60.538 -29.867 1.00 34.10 H new ATOM 0 HA LEU A 38 -28.127 58.018 -28.894 1.00 42.15 H new ATOM 0 HB2 LEU A 38 -26.668 58.582 -30.899 1.00 33.33 H new ATOM 0 HB3 LEU A 38 -25.361 58.907 -29.778 1.00 33.33 H new ATOM 0 HG LEU A 38 -25.707 56.496 -28.939 1.00 63.43 H new ATOM 0 HD11 LEU A 38 -26.668 54.951 -30.600 1.00 61.51 H new ATOM 0 HD12 LEU A 38 -27.880 56.103 -29.990 1.00 61.51 H new ATOM 0 HD13 LEU A 38 -27.160 56.339 -31.600 1.00 61.51 H new ATOM 0 HD21 LEU A 38 -24.294 55.599 -30.751 1.00 20.43 H new ATOM 0 HD22 LEU A 38 -24.693 57.013 -31.755 1.00 20.43 H new ATOM 0 HD23 LEU A 38 -23.770 57.224 -30.249 1.00 20.43 H new ATOM 548 N PRO A 39 -27.307 57.855 -26.570 1.00 34.11 N ATOM 549 CA PRO A 39 -26.825 57.656 -25.200 1.00 65.04 C ATOM 550 C PRO A 39 -25.575 56.784 -25.146 1.00 43.33 C ATOM 551 O PRO A 39 -25.083 56.324 -26.178 1.00 14.21 O ATOM 552 CB PRO A 39 -27.997 56.954 -24.510 1.00 5.30 C ATOM 553 CG PRO A 39 -28.731 56.271 -25.612 1.00 1.54 C ATOM 554 CD PRO A 39 -28.576 57.152 -26.821 1.00 74.42 C ATOM 0 HA PRO A 39 -26.536 58.596 -24.729 1.00 65.04 H new ATOM 0 HB2 PRO A 39 -27.647 56.240 -23.765 1.00 5.30 H new ATOM 0 HB3 PRO A 39 -28.637 57.668 -23.991 1.00 5.30 H new ATOM 0 HG2 PRO A 39 -28.321 55.278 -25.797 1.00 1.54 H new ATOM 0 HG3 PRO A 39 -29.783 56.139 -25.357 1.00 1.54 H new ATOM 0 HD2 PRO A 39 -28.537 56.569 -27.741 1.00 74.42 H new ATOM 0 HD3 PRO A 39 -29.409 57.849 -26.920 1.00 74.42 H new ATOM 562 N GLU A 40 -25.066 56.561 -23.939 1.00 5.21 N ATOM 563 CA GLU A 40 -23.873 55.743 -23.753 1.00 10.00 C ATOM 564 C GLU A 40 -24.222 54.259 -23.776 1.00 3.13 C ATOM 565 O GLU A 40 -25.388 53.868 -23.725 1.00 63.40 O ATOM 566 CB GLU A 40 -23.187 56.097 -22.432 1.00 32.31 C ATOM 567 CG GLU A 40 -21.910 56.900 -22.605 1.00 33.34 C ATOM 568 CD GLU A 40 -20.841 56.521 -21.598 1.00 34.14 C ATOM 569 OE1 GLU A 40 -20.847 57.088 -20.485 1.00 61.31 O ATOM 570 OE2 GLU A 40 -19.998 55.657 -21.923 1.00 52.51 O ATOM 0 H GLU A 40 -25.460 56.935 -23.076 1.00 5.21 H new ATOM 0 HA GLU A 40 -23.189 55.950 -24.576 1.00 10.00 H new ATOM 0 HB2 GLU A 40 -23.882 56.664 -21.812 1.00 32.31 H new ATOM 0 HB3 GLU A 40 -22.958 55.177 -21.894 1.00 32.31 H new ATOM 0 HG2 GLU A 40 -21.524 56.749 -23.613 1.00 33.34 H new ATOM 0 HG3 GLU A 40 -22.137 57.962 -22.506 1.00 33.34 H new ATOM 577 N PRO A 41 -23.186 53.409 -23.856 1.00 73.33 N ATOM 578 CA PRO A 41 -23.356 51.954 -23.890 1.00 62.50 C ATOM 579 C PRO A 41 -23.836 51.396 -22.554 1.00 74.13 C ATOM 580 O PRO A 41 -23.943 50.182 -22.380 1.00 15.24 O ATOM 581 CB PRO A 41 -21.951 51.438 -24.210 1.00 12.11 C ATOM 582 CG PRO A 41 -21.036 52.507 -23.721 1.00 42.31 C ATOM 583 CD PRO A 41 -21.770 53.804 -23.922 1.00 3.13 C ATOM 0 HA PRO A 41 -24.111 51.649 -24.615 1.00 62.50 H new ATOM 0 HB2 PRO A 41 -21.754 50.489 -23.711 1.00 12.11 H new ATOM 0 HB3 PRO A 41 -21.826 51.268 -25.279 1.00 12.11 H new ATOM 0 HG2 PRO A 41 -20.788 52.358 -22.670 1.00 42.31 H new ATOM 0 HG3 PRO A 41 -20.097 52.500 -24.274 1.00 42.31 H new ATOM 0 HD2 PRO A 41 -21.519 54.531 -23.150 1.00 3.13 H new ATOM 0 HD3 PRO A 41 -21.524 54.260 -24.881 1.00 3.13 H new ATOM 591 N ASP A 42 -24.126 52.290 -21.616 1.00 35.31 N ATOM 592 CA ASP A 42 -24.596 51.886 -20.295 1.00 13.22 C ATOM 593 C ASP A 42 -25.841 52.675 -19.897 1.00 72.21 C ATOM 594 O ASP A 42 -25.750 53.835 -19.498 1.00 3.20 O ATOM 595 CB ASP A 42 -23.495 52.089 -19.253 1.00 42.05 C ATOM 596 CG ASP A 42 -22.441 51.001 -19.307 1.00 12.44 C ATOM 597 OD1 ASP A 42 -22.768 49.840 -18.986 1.00 40.13 O ATOM 598 OD2 ASP A 42 -21.287 51.311 -19.669 1.00 43.44 O ATOM 0 H ASP A 42 -24.044 53.299 -21.745 1.00 35.31 H new ATOM 0 HA ASP A 42 -24.855 50.828 -20.337 1.00 13.22 H new ATOM 0 HB2 ASP A 42 -23.022 53.058 -19.412 1.00 42.05 H new ATOM 0 HB3 ASP A 42 -23.940 52.111 -18.258 1.00 42.05 H new ATOM 603 N GLN A 43 -27.001 52.036 -20.012 1.00 14.13 N ATOM 604 CA GLN A 43 -28.263 52.679 -19.665 1.00 71.55 C ATOM 605 C GLN A 43 -28.288 53.073 -18.192 1.00 34.01 C ATOM 606 O GLN A 43 -29.121 53.873 -17.767 1.00 20.23 O ATOM 607 CB GLN A 43 -29.436 51.746 -19.976 1.00 14.22 C ATOM 608 CG GLN A 43 -29.684 50.702 -18.900 1.00 14.32 C ATOM 609 CD GLN A 43 -29.584 49.284 -19.429 1.00 11.50 C ATOM 610 OE1 GLN A 43 -30.579 48.564 -19.503 1.00 34.23 O ATOM 611 NE2 GLN A 43 -28.377 48.875 -19.802 1.00 11.40 N ATOM 0 H GLN A 43 -27.093 51.075 -20.342 1.00 14.13 H new ATOM 0 HA GLN A 43 -28.358 53.584 -20.265 1.00 71.55 H new ATOM 0 HB2 GLN A 43 -30.339 52.342 -20.107 1.00 14.22 H new ATOM 0 HB3 GLN A 43 -29.247 51.241 -20.924 1.00 14.22 H new ATOM 0 HG2 GLN A 43 -28.962 50.837 -18.095 1.00 14.32 H new ATOM 0 HG3 GLN A 43 -30.674 50.857 -18.470 1.00 14.32 H new ATOM 0 HE21 GLN A 43 -27.578 49.505 -19.724 1.00 11.40 H new ATOM 0 HE22 GLN A 43 -28.248 47.931 -20.167 1.00 11.40 H new ATOM 620 N ARG A 44 -27.368 52.505 -17.417 1.00 51.11 N ATOM 621 CA ARG A 44 -27.287 52.795 -15.991 1.00 63.23 C ATOM 622 C ARG A 44 -27.688 54.240 -15.707 1.00 62.13 C ATOM 623 O ARG A 44 -28.378 54.523 -14.728 1.00 3.20 O ATOM 624 CB ARG A 44 -25.869 52.538 -15.478 1.00 13.41 C ATOM 625 CG ARG A 44 -25.633 51.104 -15.034 1.00 44.23 C ATOM 626 CD ARG A 44 -24.760 50.351 -16.028 1.00 24.12 C ATOM 627 NE ARG A 44 -24.277 49.085 -15.483 1.00 3.10 N ATOM 628 CZ ARG A 44 -23.917 48.051 -16.234 1.00 3.24 C ATOM 629 NH1 ARG A 44 -23.983 48.132 -17.556 1.00 60.13 N ATOM 630 NH2 ARG A 44 -23.487 46.933 -15.663 1.00 64.04 N ATOM 0 H ARG A 44 -26.669 51.842 -17.753 1.00 51.11 H new ATOM 0 HA ARG A 44 -27.980 52.135 -15.470 1.00 63.23 H new ATOM 0 HB2 ARG A 44 -25.156 52.788 -16.264 1.00 13.41 H new ATOM 0 HB3 ARG A 44 -25.668 53.206 -14.641 1.00 13.41 H new ATOM 0 HG2 ARG A 44 -25.158 51.099 -14.053 1.00 44.23 H new ATOM 0 HG3 ARG A 44 -26.590 50.593 -14.927 1.00 44.23 H new ATOM 0 HD2 ARG A 44 -25.329 50.160 -16.938 1.00 24.12 H new ATOM 0 HD3 ARG A 44 -23.910 50.973 -16.308 1.00 24.12 H new ATOM 0 HE ARG A 44 -24.213 48.990 -14.469 1.00 3.10 H new ATOM 0 HH11 ARG A 44 -24.311 48.990 -17.999 1.00 60.13 H new ATOM 0 HH12 ARG A 44 -23.706 47.336 -18.130 1.00 60.13 H new ATOM 0 HH21 ARG A 44 -23.433 46.868 -14.647 1.00 64.04 H new ATOM 0 HH22 ARG A 44 -23.211 46.139 -16.241 1.00 64.04 H new ATOM 644 N LYS A 45 -27.250 55.151 -16.569 1.00 43.24 N ATOM 645 CA LYS A 45 -27.562 56.567 -16.412 1.00 64.32 C ATOM 646 C LYS A 45 -27.548 57.279 -17.761 1.00 70.30 C ATOM 647 O LYS A 45 -26.486 57.522 -18.335 1.00 3.32 O ATOM 648 CB LYS A 45 -26.562 57.230 -15.463 1.00 22.41 C ATOM 649 CG LYS A 45 -27.009 58.591 -14.960 1.00 62.21 C ATOM 650 CD LYS A 45 -26.204 59.712 -15.595 1.00 70.13 C ATOM 651 CE LYS A 45 -26.704 61.079 -15.150 1.00 72.30 C ATOM 652 NZ LYS A 45 -25.706 62.149 -15.423 1.00 53.45 N ATOM 0 H LYS A 45 -26.677 54.934 -17.385 1.00 43.24 H new ATOM 0 HA LYS A 45 -28.563 56.648 -15.988 1.00 64.32 H new ATOM 0 HB2 LYS A 45 -26.395 56.574 -14.609 1.00 22.41 H new ATOM 0 HB3 LYS A 45 -25.605 57.338 -15.974 1.00 22.41 H new ATOM 0 HG2 LYS A 45 -28.067 58.732 -15.180 1.00 62.21 H new ATOM 0 HG3 LYS A 45 -26.901 58.633 -13.876 1.00 62.21 H new ATOM 0 HD2 LYS A 45 -25.153 59.603 -15.328 1.00 70.13 H new ATOM 0 HD3 LYS A 45 -26.266 59.636 -16.681 1.00 70.13 H new ATOM 0 HE2 LYS A 45 -27.636 61.311 -15.666 1.00 72.30 H new ATOM 0 HE3 LYS A 45 -26.928 61.055 -14.084 1.00 72.30 H new ATOM 0 HZ1 LYS A 45 -26.083 63.065 -15.106 1.00 53.45 H new ATOM 0 HZ2 LYS A 45 -24.825 61.941 -14.910 1.00 53.45 H new ATOM 0 HZ3 LYS A 45 -25.511 62.190 -16.444 1.00 53.45 H new ATOM 666 N VAL A 46 -28.732 57.614 -18.262 1.00 20.54 N ATOM 667 CA VAL A 46 -28.856 58.300 -19.541 1.00 51.53 C ATOM 668 C VAL A 46 -29.567 59.640 -19.381 1.00 11.52 C ATOM 669 O VAL A 46 -30.742 59.691 -19.014 1.00 10.30 O ATOM 670 CB VAL A 46 -29.622 57.445 -20.567 1.00 33.32 C ATOM 671 CG1 VAL A 46 -30.346 58.332 -21.569 1.00 11.24 C ATOM 672 CG2 VAL A 46 -28.674 56.489 -21.276 1.00 61.55 C ATOM 0 H VAL A 46 -29.621 57.421 -17.800 1.00 20.54 H new ATOM 0 HA VAL A 46 -27.843 58.470 -19.906 1.00 51.53 H new ATOM 0 HB VAL A 46 -30.369 56.854 -20.036 1.00 33.32 H new ATOM 0 HG11 VAL A 46 -30.881 57.709 -22.286 1.00 11.24 H new ATOM 0 HG12 VAL A 46 -31.055 58.972 -21.043 1.00 11.24 H new ATOM 0 HG13 VAL A 46 -29.621 58.951 -22.097 1.00 11.24 H new ATOM 0 HG21 VAL A 46 -29.232 55.892 -21.998 1.00 61.55 H new ATOM 0 HG22 VAL A 46 -27.903 57.059 -21.795 1.00 61.55 H new ATOM 0 HG23 VAL A 46 -28.207 55.830 -20.544 1.00 61.55 H new ATOM 682 N THR A 47 -28.848 60.723 -19.657 1.00 3.33 N ATOM 683 CA THR A 47 -29.410 62.062 -19.542 1.00 13.52 C ATOM 684 C THR A 47 -29.943 62.552 -20.884 1.00 13.52 C ATOM 685 O THR A 47 -29.490 62.074 -21.921 1.00 65.23 O ATOM 686 CB THR A 47 -28.364 63.067 -19.021 1.00 35.34 C ATOM 687 OG1 THR A 47 -27.691 62.525 -17.879 1.00 1.53 O ATOM 688 CG2 THR A 47 -29.021 64.388 -18.649 1.00 61.21 C ATOM 0 H THR A 47 -27.875 60.699 -19.962 1.00 3.33 H new ATOM 0 HA THR A 47 -30.232 62.000 -18.828 1.00 13.52 H new ATOM 0 HB THR A 47 -27.641 63.250 -19.816 1.00 35.34 H new ATOM 0 HG1 THR A 47 -27.027 63.169 -17.555 1.00 1.53 H new ATOM 0 HG21 THR A 47 -28.263 65.081 -18.284 1.00 61.21 H new ATOM 0 HG22 THR A 47 -29.508 64.812 -19.527 1.00 61.21 H new ATOM 0 HG23 THR A 47 -29.763 64.218 -17.869 1.00 61.21 H new ATOM 696 N CYS A 48 -30.882 63.485 -20.834 1.00 35.24 N ATOM 697 CA CYS A 48 -31.465 64.026 -22.051 1.00 1.25 C ATOM 698 C CYS A 48 -30.900 65.431 -22.269 1.00 2.44 C ATOM 699 O CYS A 48 -30.916 65.975 -23.373 1.00 1.22 O ATOM 700 CB CYS A 48 -32.992 64.027 -21.994 1.00 51.04 C ATOM 701 SG CYS A 48 -33.628 65.723 -22.265 1.00 12.14 S ATOM 0 H CYS A 48 -31.254 63.880 -19.970 1.00 35.24 H new ATOM 0 HA CYS A 48 -31.200 63.393 -22.898 1.00 1.25 H new ATOM 0 HB2 CYS A 48 -33.393 63.354 -22.752 1.00 51.04 H new ATOM 0 HB3 CYS A 48 -33.328 63.654 -21.027 1.00 51.04 H new ATOM 706 N GLU A 49 -30.397 66.010 -21.183 1.00 10.54 N ATOM 707 CA GLU A 49 -29.822 67.349 -21.228 1.00 51.12 C ATOM 708 C GLU A 49 -28.991 67.543 -22.493 1.00 24.40 C ATOM 709 O GLU A 49 -29.024 68.603 -23.115 1.00 11.33 O ATOM 710 CB GLU A 49 -28.956 67.599 -19.993 1.00 12.11 C ATOM 711 CG GLU A 49 -29.721 67.500 -18.683 1.00 50.22 C ATOM 712 CD GLU A 49 -29.625 68.768 -17.856 1.00 23.14 C ATOM 713 OE1 GLU A 49 -29.487 69.857 -18.451 1.00 73.35 O ATOM 714 OE2 GLU A 49 -29.686 68.670 -16.612 1.00 3.32 O ATOM 0 H GLU A 49 -30.376 65.573 -20.262 1.00 10.54 H new ATOM 0 HA GLU A 49 -30.642 68.067 -21.239 1.00 51.12 H new ATOM 0 HB2 GLU A 49 -28.138 66.879 -19.982 1.00 12.11 H new ATOM 0 HB3 GLU A 49 -28.508 68.590 -20.068 1.00 12.11 H new ATOM 0 HG2 GLU A 49 -30.769 67.286 -18.893 1.00 50.22 H new ATOM 0 HG3 GLU A 49 -29.335 66.662 -18.103 1.00 50.22 H new ATOM 721 N GLY A 50 -28.246 66.506 -22.869 1.00 53.21 N ATOM 722 CA GLY A 50 -27.416 66.583 -24.056 1.00 22.54 C ATOM 723 C GLY A 50 -28.031 67.445 -25.140 1.00 73.04 C ATOM 724 O GLY A 50 -28.813 66.964 -25.958 1.00 3.10 O ATOM 0 H GLY A 50 -28.203 65.616 -22.373 1.00 53.21 H new ATOM 0 HA2 GLY A 50 -26.439 66.985 -23.787 1.00 22.54 H new ATOM 0 HA3 GLY A 50 -27.251 65.578 -24.445 1.00 22.54 H new ATOM 728 N GLY A 51 -27.677 68.727 -25.145 1.00 54.30 N ATOM 729 CA GLY A 51 -28.211 69.640 -26.138 1.00 41.52 C ATOM 730 C GLY A 51 -28.338 71.057 -25.615 1.00 2.23 C ATOM 731 O GLY A 51 -27.380 71.617 -25.082 1.00 52.31 O ATOM 0 H GLY A 51 -27.030 69.149 -24.479 1.00 54.30 H new ATOM 0 HA2 GLY A 51 -27.564 69.637 -27.015 1.00 41.52 H new ATOM 0 HA3 GLY A 51 -29.190 69.287 -26.462 1.00 41.52 H new ATOM 735 N ASN A 52 -29.523 71.640 -25.768 1.00 2.23 N ATOM 736 CA ASN A 52 -29.771 73.001 -25.309 1.00 45.41 C ATOM 737 C ASN A 52 -31.235 73.188 -24.927 1.00 53.33 C ATOM 738 O ASN A 52 -32.117 73.181 -25.785 1.00 34.11 O ATOM 739 CB ASN A 52 -29.384 74.007 -26.396 1.00 40.20 C ATOM 740 CG ASN A 52 -28.078 73.645 -27.079 1.00 62.02 C ATOM 741 OD1 ASN A 52 -27.002 74.054 -26.643 1.00 71.32 O ATOM 742 ND2 ASN A 52 -28.169 72.877 -28.158 1.00 64.31 N ATOM 0 H ASN A 52 -30.327 71.190 -26.207 1.00 2.23 H new ATOM 0 HA ASN A 52 -29.158 73.177 -24.425 1.00 45.41 H new ATOM 0 HB2 ASN A 52 -30.179 74.057 -27.140 1.00 40.20 H new ATOM 0 HB3 ASN A 52 -29.297 75.000 -25.955 1.00 40.20 H new ATOM 0 HD21 ASN A 52 -27.325 72.603 -28.661 1.00 64.31 H new ATOM 0 HD22 ASN A 52 -29.083 72.561 -28.484 1.00 64.31 H new ATOM 749 N GLY A 53 -31.487 73.355 -23.632 1.00 42.34 N ATOM 750 CA GLY A 53 -32.846 73.542 -23.160 1.00 15.42 C ATOM 751 C GLY A 53 -33.618 72.240 -23.084 1.00 10.53 C ATOM 752 O GLY A 53 -34.307 71.975 -22.099 1.00 21.42 O ATOM 0 H GLY A 53 -30.774 73.364 -22.902 1.00 42.34 H new ATOM 0 HA2 GLY A 53 -32.824 74.006 -22.174 1.00 15.42 H new ATOM 0 HA3 GLY A 53 -33.367 74.231 -23.825 1.00 15.42 H new ATOM 756 N LEU A 54 -33.506 71.428 -24.130 1.00 12.11 N ATOM 757 CA LEU A 54 -34.200 70.147 -24.180 1.00 34.51 C ATOM 758 C LEU A 54 -34.128 69.433 -22.833 1.00 12.11 C ATOM 759 O LEU A 54 -35.085 68.788 -22.407 1.00 61.22 O ATOM 760 CB LEU A 54 -33.599 69.261 -25.272 1.00 63.14 C ATOM 761 CG LEU A 54 -33.605 69.843 -26.687 1.00 2.24 C ATOM 762 CD1 LEU A 54 -32.665 69.059 -27.589 1.00 60.30 C ATOM 763 CD2 LEU A 54 -35.016 69.845 -27.257 1.00 24.23 C ATOM 0 H LEU A 54 -32.941 71.634 -24.954 1.00 12.11 H new ATOM 0 HA LEU A 54 -35.248 70.340 -24.412 1.00 34.51 H new ATOM 0 HB2 LEU A 54 -32.569 69.031 -25.000 1.00 63.14 H new ATOM 0 HB3 LEU A 54 -34.143 68.317 -25.287 1.00 63.14 H new ATOM 0 HG LEU A 54 -33.254 70.874 -26.637 1.00 2.24 H new ATOM 0 HD11 LEU A 54 -32.682 69.487 -28.591 1.00 60.30 H new ATOM 0 HD12 LEU A 54 -31.652 69.109 -27.190 1.00 60.30 H new ATOM 0 HD13 LEU A 54 -32.987 68.018 -27.633 1.00 60.30 H new ATOM 0 HD21 LEU A 54 -35.001 70.262 -28.264 1.00 24.23 H new ATOM 0 HD22 LEU A 54 -35.395 68.824 -27.293 1.00 24.23 H new ATOM 0 HD23 LEU A 54 -35.664 70.450 -26.623 1.00 24.23 H new ATOM 775 N GLY A 55 -32.984 69.556 -22.166 1.00 54.02 N ATOM 776 CA GLY A 55 -32.807 68.920 -20.873 1.00 45.42 C ATOM 777 C GLY A 55 -34.041 69.032 -19.999 1.00 4.11 C ATOM 778 O GLY A 55 -34.412 70.144 -19.627 1.00 72.11 O ATOM 0 H GLY A 55 -32.177 70.084 -22.498 1.00 54.02 H new ATOM 0 HA2 GLY A 55 -32.563 67.868 -21.019 1.00 45.42 H new ATOM 0 HA3 GLY A 55 -31.960 69.375 -20.360 1.00 45.42 H new ATOM 782 N CYS A 56 -34.647 67.896 -19.690 1.00 23.53 N ATOM 783 CA CYS A 56 -35.838 67.885 -18.859 1.00 62.05 C ATOM 784 C CYS A 56 -35.402 67.790 -17.395 1.00 30.10 C ATOM 785 O CYS A 56 -36.050 68.307 -16.486 1.00 62.03 O ATOM 786 CB CYS A 56 -36.789 66.751 -19.246 1.00 20.15 C ATOM 787 SG CYS A 56 -37.093 66.778 -21.051 1.00 40.20 S ATOM 0 H CYS A 56 -34.335 66.976 -20.000 1.00 23.53 H new ATOM 0 HA CYS A 56 -36.398 68.808 -19.011 1.00 62.05 H new ATOM 0 HB2 CYS A 56 -36.361 65.791 -18.955 1.00 20.15 H new ATOM 0 HB3 CYS A 56 -37.731 66.856 -18.708 1.00 20.15 H new ATOM 792 N GLY A 57 -34.279 67.110 -17.187 1.00 21.21 N ATOM 793 CA GLY A 57 -33.752 66.941 -15.845 1.00 13.12 C ATOM 794 C GLY A 57 -34.075 65.581 -15.261 1.00 34.44 C ATOM 795 O GLY A 57 -33.905 65.354 -14.063 1.00 21.40 O ATOM 0 H GLY A 57 -33.725 66.673 -17.923 1.00 21.21 H new ATOM 0 HA2 GLY A 57 -32.671 67.077 -15.863 1.00 13.12 H new ATOM 0 HA3 GLY A 57 -34.160 67.717 -15.198 1.00 13.12 H new ATOM 799 N PHE A 58 -34.545 64.671 -16.108 1.00 62.25 N ATOM 800 CA PHE A 58 -34.896 63.325 -15.669 1.00 45.42 C ATOM 801 C PHE A 58 -34.346 62.278 -16.634 1.00 71.21 C ATOM 802 O PHE A 58 -34.892 62.069 -17.717 1.00 30.10 O ATOM 803 CB PHE A 58 -36.414 63.183 -15.556 1.00 72.54 C ATOM 804 CG PHE A 58 -36.851 61.862 -14.990 1.00 72.25 C ATOM 805 CD1 PHE A 58 -36.835 60.718 -15.771 1.00 43.12 C ATOM 806 CD2 PHE A 58 -37.279 61.764 -13.675 1.00 71.44 C ATOM 807 CE1 PHE A 58 -37.236 59.500 -15.254 1.00 1.42 C ATOM 808 CE2 PHE A 58 -37.683 60.549 -13.153 1.00 23.04 C ATOM 809 CZ PHE A 58 -37.661 59.417 -13.943 1.00 24.25 C ATOM 0 H PHE A 58 -34.692 64.841 -17.103 1.00 62.25 H new ATOM 0 HA PHE A 58 -34.449 63.161 -14.689 1.00 45.42 H new ATOM 0 HB2 PHE A 58 -36.800 63.985 -14.927 1.00 72.54 H new ATOM 0 HB3 PHE A 58 -36.858 63.311 -16.543 1.00 72.54 H new ATOM 0 HD1 PHE A 58 -36.505 60.778 -16.798 1.00 43.12 H new ATOM 0 HD2 PHE A 58 -37.297 62.646 -13.052 1.00 71.44 H new ATOM 0 HE1 PHE A 58 -37.217 58.616 -15.874 1.00 1.42 H new ATOM 0 HE2 PHE A 58 -38.016 60.486 -12.127 1.00 23.04 H new ATOM 0 HZ PHE A 58 -37.976 58.468 -13.536 1.00 24.25 H new ATOM 819 N ALA A 59 -33.262 61.624 -16.232 1.00 25.35 N ATOM 820 CA ALA A 59 -32.638 60.597 -17.059 1.00 52.42 C ATOM 821 C ALA A 59 -33.613 59.462 -17.352 1.00 64.41 C ATOM 822 O ALA A 59 -34.589 59.266 -16.628 1.00 21.55 O ATOM 823 CB ALA A 59 -31.387 60.059 -16.379 1.00 51.24 C ATOM 0 H ALA A 59 -32.797 61.786 -15.339 1.00 25.35 H new ATOM 0 HA ALA A 59 -32.355 61.052 -18.008 1.00 52.42 H new ATOM 0 HB1 ALA A 59 -30.932 59.293 -17.007 1.00 51.24 H new ATOM 0 HB2 ALA A 59 -30.677 60.872 -16.226 1.00 51.24 H new ATOM 0 HB3 ALA A 59 -31.655 59.625 -15.415 1.00 51.24 H new ATOM 829 N PHE A 60 -33.343 58.717 -18.419 1.00 10.52 N ATOM 830 CA PHE A 60 -34.197 57.603 -18.810 1.00 73.44 C ATOM 831 C PHE A 60 -33.373 56.338 -19.033 1.00 20.14 C ATOM 832 O PHE A 60 -32.154 56.377 -18.874 1.00 1.10 O ATOM 833 CB PHE A 60 -34.976 57.949 -20.081 1.00 30.25 C ATOM 834 CG PHE A 60 -34.122 58.550 -21.161 1.00 65.51 C ATOM 835 CD1 PHE A 60 -33.504 59.775 -20.973 1.00 5.25 C ATOM 836 CD2 PHE A 60 -33.938 57.888 -22.365 1.00 73.22 C ATOM 837 CE1 PHE A 60 -32.717 60.330 -21.965 1.00 4.31 C ATOM 838 CE2 PHE A 60 -33.153 58.439 -23.360 1.00 23.04 C ATOM 839 CZ PHE A 60 -32.543 59.661 -23.160 1.00 50.30 C ATOM 0 H PHE A 60 -32.539 58.865 -19.028 1.00 10.52 H new ATOM 0 HA PHE A 60 -34.903 57.418 -18.000 1.00 73.44 H new ATOM 0 HB2 PHE A 60 -35.451 57.046 -20.464 1.00 30.25 H new ATOM 0 HB3 PHE A 60 -35.775 58.647 -19.830 1.00 30.25 H new ATOM 0 HD1 PHE A 60 -33.638 60.303 -20.040 1.00 5.25 H new ATOM 0 HD2 PHE A 60 -34.413 56.932 -22.527 1.00 73.22 H new ATOM 0 HE1 PHE A 60 -32.239 61.285 -21.805 1.00 4.31 H new ATOM 0 HE2 PHE A 60 -33.017 57.914 -24.294 1.00 23.04 H new ATOM 0 HZ PHE A 60 -31.930 60.093 -23.937 1.00 50.30 H new ATOM 849 N CYS A 61 -34.049 55.255 -19.392 1.00 43.41 N ATOM 850 CA CYS A 61 -33.369 53.994 -19.632 1.00 62.23 C ATOM 851 C CYS A 61 -33.295 53.769 -21.143 1.00 21.41 C ATOM 852 O CYS A 61 -34.302 53.564 -21.823 1.00 21.21 O ATOM 853 CB CYS A 61 -34.061 52.833 -18.915 1.00 55.31 C ATOM 854 SG CYS A 61 -33.143 51.279 -19.211 1.00 11.20 S ATOM 0 H CYS A 61 -35.060 55.226 -19.522 1.00 43.41 H new ATOM 0 HA CYS A 61 -32.360 54.038 -19.222 1.00 62.23 H new ATOM 0 HB2 CYS A 61 -34.114 53.035 -17.845 1.00 55.31 H new ATOM 0 HB3 CYS A 61 -35.086 52.733 -19.272 1.00 55.31 H new ATOM 859 N ARG A 62 -32.070 53.810 -21.658 1.00 63.34 N ATOM 860 CA ARG A 62 -31.835 53.614 -23.084 1.00 45.21 C ATOM 861 C ARG A 62 -32.295 52.228 -23.527 1.00 14.44 C ATOM 862 O ARG A 62 -32.844 52.065 -24.615 1.00 72.42 O ATOM 863 CB ARG A 62 -30.350 53.796 -23.406 1.00 55.01 C ATOM 864 CG ARG A 62 -29.950 53.249 -24.767 1.00 11.21 C ATOM 865 CD ARG A 62 -28.654 52.458 -24.689 1.00 65.43 C ATOM 866 NE ARG A 62 -28.863 51.037 -24.952 1.00 23.51 N ATOM 867 CZ ARG A 62 -27.881 50.144 -24.992 1.00 33.13 C ATOM 868 NH1 ARG A 62 -26.627 50.523 -24.786 1.00 0.31 N ATOM 869 NH2 ARG A 62 -28.151 48.868 -25.237 1.00 2.32 N ATOM 0 H ARG A 62 -31.226 53.977 -21.110 1.00 63.34 H new ATOM 0 HA ARG A 62 -32.414 54.361 -23.628 1.00 45.21 H new ATOM 0 HB2 ARG A 62 -30.105 54.857 -23.364 1.00 55.01 H new ATOM 0 HB3 ARG A 62 -29.757 53.302 -22.637 1.00 55.01 H new ATOM 0 HG2 ARG A 62 -30.745 52.610 -25.152 1.00 11.21 H new ATOM 0 HG3 ARG A 62 -29.833 54.072 -25.472 1.00 11.21 H new ATOM 0 HD2 ARG A 62 -27.941 52.859 -25.409 1.00 65.43 H new ATOM 0 HD3 ARG A 62 -28.212 52.582 -23.700 1.00 65.43 H new ATOM 0 HE ARG A 62 -29.816 50.712 -25.114 1.00 23.51 H new ATOM 0 HH11 ARG A 62 -26.415 51.502 -24.596 1.00 0.31 H new ATOM 0 HH12 ARG A 62 -25.875 49.835 -24.817 1.00 0.31 H new ATOM 0 HH21 ARG A 62 -29.114 48.572 -25.395 1.00 2.32 H new ATOM 0 HH22 ARG A 62 -27.395 48.184 -25.267 1.00 2.32 H new ATOM 883 N GLU A 63 -32.066 51.234 -22.674 1.00 21.22 N ATOM 884 CA GLU A 63 -32.456 49.862 -22.978 1.00 23.22 C ATOM 885 C GLU A 63 -33.908 49.802 -23.447 1.00 63.13 C ATOM 886 O GLU A 63 -34.171 49.269 -24.525 1.00 63.44 O ATOM 887 CB GLU A 63 -32.268 48.970 -21.750 1.00 55.01 C ATOM 888 CG GLU A 63 -31.291 47.828 -21.970 1.00 1.41 C ATOM 889 CD GLU A 63 -31.658 46.967 -23.163 1.00 31.45 C ATOM 890 OE1 GLU A 63 -32.438 46.009 -22.983 1.00 23.52 O ATOM 891 OE2 GLU A 63 -31.167 47.250 -24.275 1.00 14.02 O ATOM 0 H GLU A 63 -31.613 51.353 -21.768 1.00 21.22 H new ATOM 0 HA GLU A 63 -31.816 49.499 -23.782 1.00 23.22 H new ATOM 0 HB2 GLU A 63 -31.918 49.581 -20.918 1.00 55.01 H new ATOM 0 HB3 GLU A 63 -33.235 48.559 -21.459 1.00 55.01 H new ATOM 0 HG2 GLU A 63 -30.290 48.234 -22.114 1.00 1.41 H new ATOM 0 HG3 GLU A 63 -31.257 47.207 -21.075 1.00 1.41 H new ATOM 898 N CYS A 64 -34.807 50.341 -22.638 1.00 30.33 N ATOM 899 CA CYS A 64 -36.219 50.340 -22.981 1.00 4.43 C ATOM 900 C CYS A 64 -36.590 51.735 -23.488 1.00 43.21 C ATOM 901 O CYS A 64 -37.745 52.032 -23.795 1.00 13.41 O ATOM 902 CB CYS A 64 -37.088 49.914 -21.796 1.00 23.13 C ATOM 903 SG CYS A 64 -36.530 50.761 -20.273 1.00 24.30 S ATOM 0 H CYS A 64 -34.585 50.782 -21.745 1.00 30.33 H new ATOM 0 HA CYS A 64 -36.405 49.607 -23.766 1.00 4.43 H new ATOM 0 HB2 CYS A 64 -38.132 50.156 -21.995 1.00 23.13 H new ATOM 0 HB3 CYS A 64 -37.031 48.834 -21.663 1.00 23.13 H new ATOM 908 N LYS A 65 -35.576 52.590 -23.572 1.00 54.41 N ATOM 909 CA LYS A 65 -35.766 53.959 -24.039 1.00 60.30 C ATOM 910 C LYS A 65 -36.999 54.587 -23.397 1.00 23.14 C ATOM 911 O LYS A 65 -37.680 55.406 -24.012 1.00 73.14 O ATOM 912 CB LYS A 65 -35.903 53.984 -25.563 1.00 74.21 C ATOM 913 CG LYS A 65 -36.763 52.860 -26.116 1.00 41.44 C ATOM 914 CD LYS A 65 -36.792 52.877 -27.635 1.00 63.31 C ATOM 915 CE LYS A 65 -37.846 53.840 -28.162 1.00 21.43 C ATOM 916 NZ LYS A 65 -38.256 53.504 -29.553 1.00 73.22 N ATOM 0 H LYS A 65 -34.614 52.359 -23.323 1.00 54.41 H new ATOM 0 HA LYS A 65 -34.891 54.541 -23.749 1.00 60.30 H new ATOM 0 HB2 LYS A 65 -36.331 54.940 -25.865 1.00 74.21 H new ATOM 0 HB3 LYS A 65 -34.910 53.924 -26.010 1.00 74.21 H new ATOM 0 HG2 LYS A 65 -36.378 51.901 -25.769 1.00 41.44 H new ATOM 0 HG3 LYS A 65 -37.778 52.954 -25.731 1.00 41.44 H new ATOM 0 HD2 LYS A 65 -35.812 53.165 -28.015 1.00 63.31 H new ATOM 0 HD3 LYS A 65 -36.996 51.873 -28.007 1.00 63.31 H new ATOM 0 HE2 LYS A 65 -38.719 53.816 -27.510 1.00 21.43 H new ATOM 0 HE3 LYS A 65 -37.455 54.857 -28.134 1.00 21.43 H new ATOM 0 HZ1 LYS A 65 -39.088 54.070 -29.816 1.00 73.22 H new ATOM 0 HZ2 LYS A 65 -37.474 53.714 -30.206 1.00 73.22 H new ATOM 0 HZ3 LYS A 65 -38.493 52.493 -29.611 1.00 73.22 H new ATOM 930 N GLU A 66 -37.277 54.199 -22.155 1.00 24.30 N ATOM 931 CA GLU A 66 -38.427 54.726 -21.431 1.00 55.10 C ATOM 932 C GLU A 66 -37.997 55.341 -20.103 1.00 73.22 C ATOM 933 O GLU A 66 -36.819 55.318 -19.748 1.00 72.21 O ATOM 934 CB GLU A 66 -39.454 53.619 -21.185 1.00 32.31 C ATOM 935 CG GLU A 66 -39.334 52.971 -19.815 1.00 53.32 C ATOM 936 CD GLU A 66 -40.434 51.963 -19.548 1.00 71.53 C ATOM 937 OE1 GLU A 66 -41.535 52.382 -19.136 1.00 54.44 O ATOM 938 OE2 GLU A 66 -40.194 50.753 -19.750 1.00 42.43 O ATOM 0 H GLU A 66 -36.722 53.523 -21.631 1.00 24.30 H new ATOM 0 HA GLU A 66 -38.883 55.505 -22.042 1.00 55.10 H new ATOM 0 HB2 GLU A 66 -40.456 54.034 -21.295 1.00 32.31 H new ATOM 0 HB3 GLU A 66 -39.340 52.852 -21.952 1.00 32.31 H new ATOM 0 HG2 GLU A 66 -38.366 52.476 -19.735 1.00 53.32 H new ATOM 0 HG3 GLU A 66 -39.361 53.745 -19.048 1.00 53.32 H new ATOM 945 N ALA A 67 -38.963 55.893 -19.374 1.00 61.40 N ATOM 946 CA ALA A 67 -38.686 56.513 -18.084 1.00 10.52 C ATOM 947 C ALA A 67 -37.908 55.567 -17.175 1.00 74.04 C ATOM 948 O ALA A 67 -38.253 54.394 -17.043 1.00 22.33 O ATOM 949 CB ALA A 67 -39.982 56.942 -17.415 1.00 55.24 C ATOM 0 H ALA A 67 -39.943 55.923 -19.655 1.00 61.40 H new ATOM 0 HA ALA A 67 -38.070 57.395 -18.259 1.00 10.52 H new ATOM 0 HB1 ALA A 67 -39.759 57.403 -16.453 1.00 55.24 H new ATOM 0 HB2 ALA A 67 -40.499 57.661 -18.051 1.00 55.24 H new ATOM 0 HB3 ALA A 67 -40.618 56.070 -17.261 1.00 55.24 H new ATOM 955 N TYR A 68 -36.856 56.086 -16.552 1.00 30.34 N ATOM 956 CA TYR A 68 -36.026 55.288 -15.658 1.00 73.41 C ATOM 957 C TYR A 68 -36.881 54.577 -14.611 1.00 0.51 C ATOM 958 O TYR A 68 -37.727 55.195 -13.962 1.00 24.24 O ATOM 959 CB TYR A 68 -34.986 56.170 -14.969 1.00 5.25 C ATOM 960 CG TYR A 68 -33.755 55.415 -14.518 1.00 65.05 C ATOM 961 CD1 TYR A 68 -33.733 54.743 -13.303 1.00 24.52 C ATOM 962 CD2 TYR A 68 -32.612 55.373 -15.309 1.00 41.31 C ATOM 963 CE1 TYR A 68 -32.612 54.052 -12.888 1.00 2.33 C ATOM 964 CE2 TYR A 68 -31.486 54.686 -14.903 1.00 1.22 C ATOM 965 CZ TYR A 68 -31.490 54.027 -13.691 1.00 70.42 C ATOM 966 OH TYR A 68 -30.371 53.339 -13.281 1.00 3.32 O ATOM 0 H TYR A 68 -36.558 57.057 -16.650 1.00 30.34 H new ATOM 0 HA TYR A 68 -35.513 54.535 -16.256 1.00 73.41 H new ATOM 0 HB2 TYR A 68 -34.685 56.964 -15.652 1.00 5.25 H new ATOM 0 HB3 TYR A 68 -35.444 56.650 -14.105 1.00 5.25 H new ATOM 0 HD1 TYR A 68 -34.609 54.761 -12.671 1.00 24.52 H new ATOM 0 HD2 TYR A 68 -32.605 55.887 -16.259 1.00 41.31 H new ATOM 0 HE1 TYR A 68 -32.613 53.534 -11.940 1.00 2.33 H new ATOM 0 HE2 TYR A 68 -30.607 54.664 -15.530 1.00 1.22 H new ATOM 0 HH TYR A 68 -29.571 53.758 -13.662 1.00 3.32 H new ATOM 976 N HIS A 69 -36.653 53.279 -14.452 1.00 12.03 N ATOM 977 CA HIS A 69 -37.400 52.483 -13.483 1.00 3.51 C ATOM 978 C HIS A 69 -36.482 51.976 -12.375 1.00 35.41 C ATOM 979 O HIS A 69 -35.304 51.708 -12.605 1.00 44.35 O ATOM 980 CB HIS A 69 -38.082 51.305 -14.176 1.00 43.53 C ATOM 981 CG HIS A 69 -37.293 50.743 -15.319 1.00 32.50 C ATOM 982 ND1 HIS A 69 -35.956 50.665 -15.516 1.00 33.34 N flip ATOM 983 CD2 HIS A 69 -37.877 50.175 -16.431 1.00 61.53 C flip ATOM 984 CE1 HIS A 69 -35.758 50.056 -16.732 1.00 21.32 C flip ATOM 985 NE2 HIS A 69 -36.935 49.771 -17.263 1.00 75.03 N flip ATOM 0 H HIS A 69 -35.957 52.754 -14.981 1.00 12.03 H new ATOM 0 HA HIS A 69 -38.162 53.121 -13.036 1.00 3.51 H new ATOM 0 HB2 HIS A 69 -38.258 50.516 -13.444 1.00 43.53 H new ATOM 0 HB3 HIS A 69 -39.058 51.625 -14.541 1.00 43.53 H new ATOM 0 HD2 HIS A 69 -38.940 50.076 -16.596 1.00 61.53 H new ATOM 0 HE1 HIS A 69 -34.798 49.845 -17.180 1.00 21.32 H new ATOM 0 HE2 HIS A 69 -37.089 49.316 -18.163 1.00 75.03 H new ATOM 993 N GLU A 70 -37.033 51.846 -11.171 1.00 65.32 N ATOM 994 CA GLU A 70 -36.262 51.371 -10.027 1.00 63.50 C ATOM 995 C GLU A 70 -36.192 49.847 -10.015 1.00 32.13 C ATOM 996 O GLU A 70 -35.881 49.237 -8.991 1.00 51.13 O ATOM 997 CB GLU A 70 -36.883 51.875 -8.722 1.00 2.13 C ATOM 998 CG GLU A 70 -36.839 53.386 -8.572 1.00 31.24 C ATOM 999 CD GLU A 70 -38.164 53.966 -8.116 1.00 72.31 C ATOM 1000 OE1 GLU A 70 -38.886 53.275 -7.367 1.00 11.14 O ATOM 1001 OE2 GLU A 70 -38.479 55.108 -8.508 1.00 13.23 O ATOM 0 H GLU A 70 -38.008 52.062 -10.963 1.00 65.32 H new ATOM 0 HA GLU A 70 -35.249 51.763 -10.114 1.00 63.50 H new ATOM 0 HB2 GLU A 70 -37.920 51.543 -8.671 1.00 2.13 H new ATOM 0 HB3 GLU A 70 -36.361 51.419 -7.881 1.00 2.13 H new ATOM 0 HG2 GLU A 70 -36.063 53.654 -7.854 1.00 31.24 H new ATOM 0 HG3 GLU A 70 -36.559 53.834 -9.526 1.00 31.24 H new ATOM 1008 N GLY A 71 -36.481 49.236 -11.160 1.00 41.22 N ATOM 1009 CA GLY A 71 -36.445 47.789 -11.258 1.00 50.21 C ATOM 1010 C GLY A 71 -35.585 47.308 -12.410 1.00 23.11 C ATOM 1011 O GLY A 71 -34.359 47.274 -12.305 1.00 75.33 O ATOM 0 H GLY A 71 -36.739 49.718 -12.021 1.00 41.22 H new ATOM 0 HA2 GLY A 71 -36.063 47.374 -10.325 1.00 50.21 H new ATOM 0 HA3 GLY A 71 -37.460 47.411 -11.383 1.00 50.21 H new ATOM 1015 N GLU A 72 -36.228 46.934 -13.511 1.00 51.34 N ATOM 1016 CA GLU A 72 -35.512 46.449 -14.686 1.00 72.01 C ATOM 1017 C GLU A 72 -36.438 46.380 -15.898 1.00 33.54 C ATOM 1018 O GLU A 72 -37.650 46.263 -15.723 1.00 34.11 O ATOM 1019 CB GLU A 72 -34.909 45.070 -14.411 1.00 14.42 C ATOM 1020 CG GLU A 72 -33.457 44.946 -14.838 1.00 40.21 C ATOM 1021 CD GLU A 72 -33.184 43.672 -15.614 1.00 40.34 C ATOM 1022 OE1 GLU A 72 -34.130 43.145 -16.238 1.00 10.35 O ATOM 1023 OE2 GLU A 72 -32.027 43.202 -15.600 1.00 50.25 O ATOM 0 H GLU A 72 -37.242 46.957 -13.615 1.00 51.34 H new ATOM 0 HA GLU A 72 -34.708 47.151 -14.905 1.00 72.01 H new ATOM 0 HB2 GLU A 72 -34.985 44.855 -13.345 1.00 14.42 H new ATOM 0 HB3 GLU A 72 -35.498 44.315 -14.931 1.00 14.42 H new ATOM 0 HG2 GLU A 72 -33.188 45.806 -15.452 1.00 40.21 H new ATOM 0 HG3 GLU A 72 -32.819 44.973 -13.955 1.00 40.21 H new ATOM 1030 N CYS A 73 -35.854 46.452 -17.084 1.00 34.04 N ATOM 1031 CA CYS A 73 -36.636 46.395 -18.307 1.00 45.35 C ATOM 1032 C CYS A 73 -37.520 45.148 -18.256 1.00 23.11 C ATOM 1033 O CYS A 73 -38.720 45.188 -18.524 1.00 21.44 O ATOM 1034 CB CYS A 73 -35.744 46.412 -19.551 1.00 1.41 C ATOM 1035 SG CYS A 73 -34.454 47.700 -19.378 1.00 1.01 S ATOM 0 H CYS A 73 -34.848 46.549 -17.225 1.00 34.04 H new ATOM 0 HA CYS A 73 -37.265 47.282 -18.380 1.00 45.35 H new ATOM 0 HB2 CYS A 73 -35.279 45.436 -19.689 1.00 1.41 H new ATOM 0 HB3 CYS A 73 -36.347 46.606 -20.438 1.00 1.41 H new ATOM 1040 N SER A 74 -36.894 44.030 -17.903 1.00 1.43 N ATOM 1041 CA SER A 74 -37.598 42.757 -17.812 1.00 14.04 C ATOM 1042 C SER A 74 -38.303 42.620 -16.465 1.00 42.44 C ATOM 1043 O SER A 74 -38.680 41.523 -16.058 1.00 0.12 O ATOM 1044 CB SER A 74 -36.621 41.595 -18.009 1.00 74.22 C ATOM 1045 OG SER A 74 -36.557 41.207 -19.370 1.00 72.01 O ATOM 0 H SER A 74 -35.901 43.980 -17.675 1.00 1.43 H new ATOM 0 HA SER A 74 -38.350 42.729 -18.600 1.00 14.04 H new ATOM 0 HB2 SER A 74 -35.629 41.887 -17.664 1.00 74.22 H new ATOM 0 HB3 SER A 74 -36.933 40.746 -17.400 1.00 74.22 H new ATOM 0 HG SER A 74 -35.925 40.465 -19.469 1.00 72.01 H new ATOM 1051 N ALA A 75 -38.476 43.746 -15.780 1.00 60.21 N ATOM 1052 CA ALA A 75 -39.137 43.754 -14.481 1.00 14.31 C ATOM 1053 C ALA A 75 -40.531 44.367 -14.577 1.00 5.32 C ATOM 1054 O ALA A 75 -40.677 45.575 -14.765 1.00 4.32 O ATOM 1055 CB ALA A 75 -38.295 44.511 -13.464 1.00 44.34 C ATOM 0 H ALA A 75 -38.168 44.663 -16.103 1.00 60.21 H new ATOM 0 HA ALA A 75 -39.245 42.721 -14.150 1.00 14.31 H new ATOM 0 HB1 ALA A 75 -38.801 44.509 -12.499 1.00 44.34 H new ATOM 0 HB2 ALA A 75 -37.323 44.028 -13.365 1.00 44.34 H new ATOM 0 HB3 ALA A 75 -38.157 45.539 -13.799 1.00 44.34 H new ATOM 1061 N VAL A 76 -41.552 43.527 -14.449 1.00 62.21 N ATOM 1062 CA VAL A 76 -42.934 43.986 -14.521 1.00 20.21 C ATOM 1063 C VAL A 76 -43.220 45.037 -13.454 1.00 51.43 C ATOM 1064 O VAL A 76 -42.347 45.381 -12.657 1.00 34.52 O ATOM 1065 CB VAL A 76 -43.922 42.817 -14.354 1.00 34.11 C ATOM 1066 CG1 VAL A 76 -45.242 43.132 -15.043 1.00 64.32 C ATOM 1067 CG2 VAL A 76 -43.323 41.530 -14.895 1.00 51.01 C ATOM 0 H VAL A 76 -41.448 42.524 -14.295 1.00 62.21 H new ATOM 0 HA VAL A 76 -43.070 44.429 -15.508 1.00 20.21 H new ATOM 0 HB VAL A 76 -44.118 42.679 -13.291 1.00 34.11 H new ATOM 0 HG11 VAL A 76 -45.928 42.295 -14.915 1.00 64.32 H new ATOM 0 HG12 VAL A 76 -45.677 44.029 -14.602 1.00 64.32 H new ATOM 0 HG13 VAL A 76 -45.067 43.298 -16.106 1.00 64.32 H new ATOM 0 HG21 VAL A 76 -44.036 40.715 -14.768 1.00 51.01 H new ATOM 0 HG22 VAL A 76 -43.096 41.652 -15.954 1.00 51.01 H new ATOM 0 HG23 VAL A 76 -42.407 41.298 -14.352 1.00 51.01 H new ATOM 1077 N PHE A 77 -44.448 45.544 -13.445 1.00 62.11 N ATOM 1078 CA PHE A 77 -44.851 46.556 -12.477 1.00 11.54 C ATOM 1079 C PHE A 77 -45.760 45.956 -11.407 1.00 22.13 C ATOM 1080 O PHE A 77 -46.922 45.647 -11.669 1.00 2.32 O ATOM 1081 CB PHE A 77 -45.566 47.711 -13.181 1.00 71.45 C ATOM 1082 CG PHE A 77 -45.880 48.866 -12.273 1.00 42.35 C ATOM 1083 CD1 PHE A 77 -47.008 48.845 -11.469 1.00 43.11 C ATOM 1084 CD2 PHE A 77 -45.047 49.971 -12.224 1.00 14.14 C ATOM 1085 CE1 PHE A 77 -47.299 49.906 -10.633 1.00 61.01 C ATOM 1086 CE2 PHE A 77 -45.332 51.035 -11.389 1.00 52.24 C ATOM 1087 CZ PHE A 77 -46.460 51.002 -10.592 1.00 51.53 C ATOM 0 H PHE A 77 -45.182 45.270 -14.098 1.00 62.11 H new ATOM 0 HA PHE A 77 -43.952 46.936 -11.992 1.00 11.54 H new ATOM 0 HB2 PHE A 77 -44.944 48.065 -14.004 1.00 71.45 H new ATOM 0 HB3 PHE A 77 -46.493 47.341 -13.618 1.00 71.45 H new ATOM 0 HD1 PHE A 77 -47.667 47.990 -11.496 1.00 43.11 H new ATOM 0 HD2 PHE A 77 -44.164 50.002 -12.845 1.00 14.14 H new ATOM 0 HE1 PHE A 77 -48.182 49.878 -10.012 1.00 61.01 H new ATOM 0 HE2 PHE A 77 -44.674 51.891 -11.360 1.00 52.24 H new ATOM 0 HZ PHE A 77 -46.685 51.832 -9.938 1.00 51.53 H new ATOM 1097 N GLU A 78 -45.220 45.795 -10.203 1.00 65.31 N ATOM 1098 CA GLU A 78 -45.981 45.229 -9.096 1.00 71.45 C ATOM 1099 C GLU A 78 -46.100 46.232 -7.950 1.00 44.20 C ATOM 1100 O GLU A 78 -45.274 47.134 -7.814 1.00 52.24 O ATOM 1101 CB GLU A 78 -45.321 43.944 -8.597 1.00 23.45 C ATOM 1102 CG GLU A 78 -46.310 42.909 -8.089 1.00 3.13 C ATOM 1103 CD GLU A 78 -45.811 42.181 -6.855 1.00 71.20 C ATOM 1104 OE1 GLU A 78 -45.097 42.808 -6.045 1.00 54.31 O ATOM 1105 OE2 GLU A 78 -46.133 40.984 -6.700 1.00 74.10 O ATOM 0 H GLU A 78 -44.260 46.048 -9.970 1.00 65.31 H new ATOM 0 HA GLU A 78 -46.982 44.996 -9.459 1.00 71.45 H new ATOM 0 HB2 GLU A 78 -44.736 43.508 -9.407 1.00 23.45 H new ATOM 0 HB3 GLU A 78 -44.623 44.191 -7.797 1.00 23.45 H new ATOM 0 HG2 GLU A 78 -47.257 43.398 -7.860 1.00 3.13 H new ATOM 0 HG3 GLU A 78 -46.509 42.184 -8.878 1.00 3.13 H new ATOM 1112 N ALA A 79 -47.132 46.065 -7.131 1.00 52.00 N ATOM 1113 CA ALA A 79 -47.357 46.951 -5.997 1.00 14.22 C ATOM 1114 C ALA A 79 -46.128 47.018 -5.098 1.00 62.12 C ATOM 1115 O ALA A 79 -45.360 46.060 -5.009 1.00 11.43 O ATOM 1116 CB ALA A 79 -48.571 46.493 -5.201 1.00 1.13 C ATOM 0 H ALA A 79 -47.826 45.324 -7.232 1.00 52.00 H new ATOM 0 HA ALA A 79 -47.546 47.952 -6.384 1.00 14.22 H new ATOM 0 HB1 ALA A 79 -48.727 47.164 -4.357 1.00 1.13 H new ATOM 0 HB2 ALA A 79 -49.452 46.506 -5.842 1.00 1.13 H new ATOM 0 HB3 ALA A 79 -48.404 45.481 -4.833 1.00 1.13 H new ATOM 1122 N SER A 80 -45.945 48.155 -4.434 1.00 55.24 N ATOM 1123 CA SER A 80 -44.806 48.348 -3.545 1.00 53.42 C ATOM 1124 C SER A 80 -45.232 49.051 -2.260 1.00 43.24 C ATOM 1125 O SER A 80 -46.125 49.896 -2.270 1.00 74.51 O ATOM 1126 CB SER A 80 -43.717 49.160 -4.247 1.00 1.21 C ATOM 1127 OG SER A 80 -44.125 50.505 -4.437 1.00 61.33 O ATOM 0 H SER A 80 -46.572 48.957 -4.495 1.00 55.24 H new ATOM 0 HA SER A 80 -44.408 47.367 -3.286 1.00 53.42 H new ATOM 0 HB2 SER A 80 -42.802 49.135 -3.655 1.00 1.21 H new ATOM 0 HB3 SER A 80 -43.486 48.707 -5.211 1.00 1.21 H new ATOM 0 HG SER A 80 -43.411 51.003 -4.886 1.00 61.33 H new TER 1133 SER A 80 HETATM 1134 ZN ZN A 201 -35.885 65.818 -22.727 1.00 4.11 ZN HETATM 1135 ZN ZN A 401 -34.935 49.874 -18.869 1.00 71.30 ZN