USER MOD reduce.3.24.130724 H: found=0, std=0, add=540, rem=0, adj=11 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 Single : A 1 GLY N :NH3+ -128:sc= 0.0914 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc= -0.46 X(o=-0.46,f=0) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=-0.00048) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= -0.0565 X(o=-0.057,f=-0.02) 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 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 CYS SG : rot 33:sc= 0.224 USER MOD Single : A 22 GLN : amide:sc= -0.137 K(o=-0.14,f=-1.6!) USER MOD Single : A 23 MET CE :methyl -109:sc= -0.387 (180deg=-2.22) USER MOD Single : A 43 GLN : amide:sc= -2.93! C(o=-2.9!,f=-4!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 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 4:sc= 1.13 USER MOD Single : A 69 HIS :FLIP no HD1:sc= -7.91! C(o=-11!,f=-7.9!) 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 -51.282 66.323 -20.812 1.00 63.55 N ATOM 2 CA GLY A 1 -50.645 65.816 -22.013 1.00 14.13 C ATOM 3 C GLY A 1 -51.403 66.184 -23.272 1.00 50.33 C ATOM 4 O GLY A 1 -52.324 67.002 -23.235 1.00 4.30 O ATOM 0 H1 GLY A 1 -50.586 66.850 -20.246 1.00 63.55 H new ATOM 0 H2 GLY A 1 -52.065 66.955 -21.075 1.00 63.55 H new ATOM 0 H3 GLY A 1 -51.652 65.528 -20.253 1.00 63.55 H new ATOM 0 HA2 GLY A 1 -49.630 66.209 -22.076 1.00 14.13 H new ATOM 0 HA3 GLY A 1 -50.563 64.731 -21.946 1.00 14.13 H new ATOM 8 N HIS A 2 -51.016 65.581 -24.392 1.00 65.32 N ATOM 9 CA HIS A 2 -51.666 65.852 -25.670 1.00 31.20 C ATOM 10 C HIS A 2 -52.838 64.900 -25.896 1.00 3.32 C ATOM 11 O HIS A 2 -52.680 63.681 -25.829 1.00 21.01 O ATOM 12 CB HIS A 2 -50.661 65.723 -26.815 1.00 71.21 C ATOM 13 CG HIS A 2 -51.058 66.475 -28.048 1.00 20.34 C ATOM 14 ND1 HIS A 2 -50.144 67.027 -28.919 1.00 52.22 N ATOM 15 CD2 HIS A 2 -52.281 66.759 -28.555 1.00 2.31 C ATOM 16 CE1 HIS A 2 -50.786 67.624 -29.909 1.00 14.33 C ATOM 17 NE2 HIS A 2 -52.085 67.476 -29.710 1.00 25.45 N ATOM 0 H HIS A 2 -50.256 64.902 -24.441 1.00 65.32 H new ATOM 0 HA HIS A 2 -52.049 66.872 -25.646 1.00 31.20 H new ATOM 0 HB2 HIS A 2 -49.689 66.083 -26.477 1.00 71.21 H new ATOM 0 HB3 HIS A 2 -50.541 64.669 -27.065 1.00 71.21 H new ATOM 0 HD2 HIS A 2 -53.233 66.475 -28.131 1.00 2.31 H new ATOM 0 HE1 HIS A 2 -50.328 68.143 -30.738 1.00 14.33 H new ATOM 0 HE2 HIS A 2 -52.822 67.836 -30.316 1.00 25.45 H new ATOM 25 N MET A 3 -54.010 65.466 -26.162 1.00 65.32 N ATOM 26 CA MET A 3 -55.207 64.666 -26.399 1.00 43.21 C ATOM 27 C MET A 3 -55.668 64.794 -27.848 1.00 60.41 C ATOM 28 O MET A 3 -56.205 65.825 -28.250 1.00 63.24 O ATOM 29 CB MET A 3 -56.330 65.099 -25.455 1.00 3.33 C ATOM 30 CG MET A 3 -56.466 64.214 -24.226 1.00 3.02 C ATOM 31 SD MET A 3 -58.174 63.748 -23.890 1.00 73.25 S ATOM 32 CE MET A 3 -57.970 62.035 -23.411 1.00 34.13 C ATOM 0 H MET A 3 -54.157 66.474 -26.219 1.00 65.32 H new ATOM 0 HA MET A 3 -54.961 63.622 -26.205 1.00 43.21 H new ATOM 0 HB2 MET A 3 -56.149 66.125 -25.135 1.00 3.33 H new ATOM 0 HB3 MET A 3 -57.274 65.096 -26.001 1.00 3.33 H new ATOM 0 HG2 MET A 3 -55.868 63.313 -24.364 1.00 3.02 H new ATOM 0 HG3 MET A 3 -56.059 64.737 -23.360 1.00 3.02 H new ATOM 0 HE1 MET A 3 -58.943 61.606 -23.172 1.00 34.13 H new ATOM 0 HE2 MET A 3 -57.520 61.478 -24.233 1.00 34.13 H new ATOM 0 HE3 MET A 3 -57.322 61.976 -22.536 1.00 34.13 H new ATOM 42 N GLY A 4 -55.456 63.738 -28.627 1.00 21.11 N ATOM 43 CA GLY A 4 -55.855 63.753 -30.022 1.00 1.12 C ATOM 44 C GLY A 4 -55.587 62.432 -30.716 1.00 40.13 C ATOM 45 O GLY A 4 -54.465 61.926 -30.690 1.00 44.23 O ATOM 0 H GLY A 4 -55.015 62.872 -28.317 1.00 21.11 H new ATOM 0 HA2 GLY A 4 -56.917 63.987 -30.090 1.00 1.12 H new ATOM 0 HA3 GLY A 4 -55.320 64.548 -30.541 1.00 1.12 H new ATOM 49 N GLU A 5 -56.620 61.873 -31.338 1.00 62.51 N ATOM 50 CA GLU A 5 -56.490 60.600 -32.039 1.00 42.34 C ATOM 51 C GLU A 5 -56.474 60.812 -33.551 1.00 33.11 C ATOM 52 O GLU A 5 -57.443 61.299 -34.130 1.00 44.05 O ATOM 53 CB GLU A 5 -57.637 59.662 -31.658 1.00 31.12 C ATOM 54 CG GLU A 5 -59.011 60.302 -31.772 1.00 2.43 C ATOM 55 CD GLU A 5 -60.132 59.280 -31.781 1.00 2.41 C ATOM 56 OE1 GLU A 5 -60.405 58.693 -30.714 1.00 22.41 O ATOM 57 OE2 GLU A 5 -60.734 59.070 -32.854 1.00 63.03 O ATOM 0 H GLU A 5 -57.555 62.280 -31.371 1.00 62.51 H new ATOM 0 HA GLU A 5 -55.545 60.146 -31.741 1.00 42.34 H new ATOM 0 HB2 GLU A 5 -57.602 58.780 -32.298 1.00 31.12 H new ATOM 0 HB3 GLU A 5 -57.489 59.319 -30.634 1.00 31.12 H new ATOM 0 HG2 GLU A 5 -59.158 60.989 -30.939 1.00 2.43 H new ATOM 0 HG3 GLU A 5 -59.057 60.894 -32.686 1.00 2.43 H new ATOM 64 N GLU A 6 -55.363 60.442 -34.182 1.00 14.20 N ATOM 65 CA GLU A 6 -55.219 60.594 -35.625 1.00 71.31 C ATOM 66 C GLU A 6 -55.533 59.283 -36.343 1.00 14.53 C ATOM 67 O GLU A 6 -56.310 59.258 -37.297 1.00 61.44 O ATOM 68 CB GLU A 6 -53.803 61.053 -35.974 1.00 20.10 C ATOM 69 CG GLU A 6 -53.520 62.497 -35.594 1.00 45.43 C ATOM 70 CD GLU A 6 -54.456 63.473 -36.279 1.00 72.24 C ATOM 71 OE1 GLU A 6 -55.568 63.695 -35.755 1.00 70.10 O ATOM 72 OE2 GLU A 6 -54.077 64.015 -37.338 1.00 52.13 O ATOM 0 H GLU A 6 -54.551 60.036 -33.717 1.00 14.20 H new ATOM 0 HA GLU A 6 -55.929 61.351 -35.958 1.00 71.31 H new ATOM 0 HB2 GLU A 6 -53.086 60.406 -35.469 1.00 20.10 H new ATOM 0 HB3 GLU A 6 -53.644 60.930 -37.045 1.00 20.10 H new ATOM 0 HG2 GLU A 6 -53.611 62.609 -34.514 1.00 45.43 H new ATOM 0 HG3 GLU A 6 -52.490 62.743 -35.855 1.00 45.43 H new ATOM 79 N GLN A 7 -54.921 58.200 -35.877 1.00 25.13 N ATOM 80 CA GLN A 7 -55.134 56.887 -36.475 1.00 43.42 C ATOM 81 C GLN A 7 -54.774 56.899 -37.957 1.00 14.42 C ATOM 82 O GLN A 7 -55.433 56.254 -38.773 1.00 33.41 O ATOM 83 CB GLN A 7 -56.589 56.450 -36.296 1.00 15.32 C ATOM 84 CG GLN A 7 -56.764 55.316 -35.299 1.00 34.44 C ATOM 85 CD GLN A 7 -57.323 54.059 -35.938 1.00 40.23 C ATOM 86 OE1 GLN A 7 -56.780 53.555 -36.921 1.00 11.42 O ATOM 87 NE2 GLN A 7 -58.413 53.546 -35.380 1.00 74.21 N ATOM 0 H GLN A 7 -54.274 58.205 -35.088 1.00 25.13 H new ATOM 0 HA GLN A 7 -54.483 56.175 -35.967 1.00 43.42 H new ATOM 0 HB2 GLN A 7 -57.179 57.306 -35.968 1.00 15.32 H new ATOM 0 HB3 GLN A 7 -56.988 56.139 -37.262 1.00 15.32 H new ATOM 0 HG2 GLN A 7 -55.802 55.089 -34.840 1.00 34.44 H new ATOM 0 HG3 GLN A 7 -57.430 55.640 -34.499 1.00 34.44 H new ATOM 0 HE21 GLN A 7 -58.830 53.997 -34.566 1.00 74.21 H new ATOM 0 HE22 GLN A 7 -58.834 52.701 -35.766 1.00 74.21 H new ATOM 96 N TYR A 8 -53.724 57.637 -38.300 1.00 51.32 N ATOM 97 CA TYR A 8 -53.279 57.737 -39.684 1.00 3.33 C ATOM 98 C TYR A 8 -51.801 58.110 -39.756 1.00 30.34 C ATOM 99 O TYR A 8 -51.407 59.206 -39.364 1.00 2.45 O ATOM 100 CB TYR A 8 -54.115 58.772 -40.439 1.00 11.51 C ATOM 101 CG TYR A 8 -55.155 58.163 -41.352 1.00 10.03 C ATOM 102 CD1 TYR A 8 -54.783 57.487 -42.506 1.00 23.13 C ATOM 103 CD2 TYR A 8 -56.509 58.263 -41.057 1.00 13.53 C ATOM 104 CE1 TYR A 8 -55.731 56.930 -43.343 1.00 52.12 C ATOM 105 CE2 TYR A 8 -57.463 57.707 -41.888 1.00 1.33 C ATOM 106 CZ TYR A 8 -57.069 57.042 -43.030 1.00 32.44 C ATOM 107 OH TYR A 8 -58.015 56.487 -43.859 1.00 0.11 O ATOM 0 H TYR A 8 -53.165 58.175 -37.638 1.00 51.32 H new ATOM 0 HA TYR A 8 -53.412 56.762 -40.152 1.00 3.33 H new ATOM 0 HB2 TYR A 8 -54.612 59.421 -39.718 1.00 11.51 H new ATOM 0 HB3 TYR A 8 -53.450 59.403 -41.029 1.00 11.51 H new ATOM 0 HD1 TYR A 8 -53.736 57.395 -42.754 1.00 23.13 H new ATOM 0 HD2 TYR A 8 -56.821 58.784 -40.164 1.00 13.53 H new ATOM 0 HE1 TYR A 8 -55.425 56.409 -44.238 1.00 52.12 H new ATOM 0 HE2 TYR A 8 -58.512 57.793 -41.644 1.00 1.33 H new ATOM 0 HH TYR A 8 -58.909 56.655 -43.494 1.00 0.11 H new ATOM 117 N ASN A 9 -50.988 57.187 -40.260 1.00 25.32 N ATOM 118 CA ASN A 9 -49.554 57.416 -40.384 1.00 41.33 C ATOM 119 C ASN A 9 -49.010 56.792 -41.665 1.00 74.45 C ATOM 120 O ASN A 9 -49.426 55.702 -42.060 1.00 63.01 O ATOM 121 CB ASN A 9 -48.817 56.842 -39.171 1.00 75.15 C ATOM 122 CG ASN A 9 -48.912 55.331 -39.100 1.00 20.22 C ATOM 123 OD1 ASN A 9 -49.814 54.782 -38.466 1.00 74.03 O ATOM 124 ND2 ASN A 9 -47.978 54.648 -39.752 1.00 4.11 N ATOM 0 H ASN A 9 -51.299 56.273 -40.589 1.00 25.32 H new ATOM 0 HA ASN A 9 -49.387 58.492 -40.427 1.00 41.33 H new ATOM 0 HB2 ASN A 9 -47.768 57.136 -39.214 1.00 75.15 H new ATOM 0 HB3 ASN A 9 -49.232 57.273 -38.260 1.00 75.15 H new ATOM 0 HD21 ASN A 9 -47.990 53.628 -39.740 1.00 4.11 H new ATOM 0 HD22 ASN A 9 -47.249 55.143 -40.265 1.00 4.11 H new ATOM 131 N ARG A 10 -48.081 57.489 -42.309 1.00 22.50 N ATOM 132 CA ARG A 10 -47.481 57.003 -43.546 1.00 60.31 C ATOM 133 C ARG A 10 -46.816 55.646 -43.333 1.00 33.53 C ATOM 134 O ARG A 10 -46.363 55.333 -42.230 1.00 3.42 O ATOM 135 CB ARG A 10 -46.455 58.008 -44.071 1.00 22.22 C ATOM 136 CG ARG A 10 -46.725 58.469 -45.493 1.00 70.11 C ATOM 137 CD ARG A 10 -46.319 59.921 -45.694 1.00 52.23 C ATOM 138 NE ARG A 10 -44.983 60.041 -46.269 1.00 44.10 N ATOM 139 CZ ARG A 10 -44.735 59.986 -47.573 1.00 63.13 C ATOM 140 NH1 ARG A 10 -45.730 59.814 -48.434 1.00 33.24 N ATOM 141 NH2 ARG A 10 -43.492 60.104 -48.019 1.00 62.04 N ATOM 0 H ARG A 10 -47.727 58.393 -41.995 1.00 22.50 H new ATOM 0 HA ARG A 10 -48.276 56.887 -44.283 1.00 60.31 H new ATOM 0 HB2 ARG A 10 -46.441 58.877 -43.413 1.00 22.22 H new ATOM 0 HB3 ARG A 10 -45.463 57.558 -44.026 1.00 22.22 H new ATOM 0 HG2 ARG A 10 -46.177 57.837 -46.192 1.00 70.11 H new ATOM 0 HG3 ARG A 10 -47.785 58.351 -45.720 1.00 70.11 H new ATOM 0 HD2 ARG A 10 -47.040 60.412 -46.347 1.00 52.23 H new ATOM 0 HD3 ARG A 10 -46.350 60.442 -44.737 1.00 52.23 H new ATOM 0 HE ARG A 10 -44.196 60.175 -45.634 1.00 44.10 H new ATOM 0 HH11 ARG A 10 -46.688 59.724 -48.095 1.00 33.24 H new ATOM 0 HH12 ARG A 10 -45.537 59.772 -49.435 1.00 33.24 H new ATOM 0 HH21 ARG A 10 -42.724 60.237 -47.361 1.00 62.04 H new ATOM 0 HH22 ARG A 10 -43.303 60.062 -49.020 1.00 62.04 H new ATOM 155 N TYR A 11 -46.763 54.845 -44.391 1.00 12.22 N ATOM 156 CA TYR A 11 -46.157 53.522 -44.318 1.00 0.13 C ATOM 157 C TYR A 11 -44.644 53.603 -44.503 1.00 72.23 C ATOM 158 O TYR A 11 -44.154 53.764 -45.620 1.00 73.15 O ATOM 159 CB TYR A 11 -46.762 52.602 -45.378 1.00 25.32 C ATOM 160 CG TYR A 11 -46.994 51.188 -44.893 1.00 41.20 C ATOM 161 CD1 TYR A 11 -47.723 50.939 -43.737 1.00 42.22 C ATOM 162 CD2 TYR A 11 -46.483 50.100 -45.592 1.00 1.43 C ATOM 163 CE1 TYR A 11 -47.936 49.650 -43.290 1.00 20.41 C ATOM 164 CE2 TYR A 11 -46.693 48.807 -45.153 1.00 23.05 C ATOM 165 CZ TYR A 11 -47.418 48.586 -44.001 1.00 52.25 C ATOM 166 OH TYR A 11 -47.630 47.300 -43.560 1.00 40.01 O ATOM 0 H TYR A 11 -47.133 55.089 -45.310 1.00 12.22 H new ATOM 0 HA TYR A 11 -46.362 53.111 -43.329 1.00 0.13 H new ATOM 0 HB2 TYR A 11 -47.710 53.022 -45.713 1.00 25.32 H new ATOM 0 HB3 TYR A 11 -46.101 52.576 -46.244 1.00 25.32 H new ATOM 0 HD1 TYR A 11 -48.130 51.768 -43.178 1.00 42.22 H new ATOM 0 HD2 TYR A 11 -45.912 50.269 -46.493 1.00 1.43 H new ATOM 0 HE1 TYR A 11 -48.505 49.475 -42.389 1.00 20.41 H new ATOM 0 HE2 TYR A 11 -46.291 47.973 -45.709 1.00 23.05 H new ATOM 0 HH TYR A 11 -47.200 46.669 -44.174 1.00 40.01 H new ATOM 176 N GLN A 12 -43.912 53.492 -43.400 1.00 73.42 N ATOM 177 CA GLN A 12 -42.456 53.554 -43.441 1.00 32.14 C ATOM 178 C GLN A 12 -41.842 52.483 -42.544 1.00 51.30 C ATOM 179 O GLN A 12 -41.809 52.628 -41.322 1.00 64.42 O ATOM 180 CB GLN A 12 -41.971 54.938 -43.007 1.00 73.14 C ATOM 181 CG GLN A 12 -41.666 55.867 -44.171 1.00 4.43 C ATOM 182 CD GLN A 12 -40.977 57.145 -43.733 1.00 34.52 C ATOM 183 OE1 GLN A 12 -39.820 57.129 -43.315 1.00 23.04 O ATOM 184 NE2 GLN A 12 -41.690 58.263 -43.824 1.00 23.44 N ATOM 0 H GLN A 12 -44.303 53.359 -42.467 1.00 73.42 H new ATOM 0 HA GLN A 12 -42.138 53.371 -44.467 1.00 32.14 H new ATOM 0 HB2 GLN A 12 -42.730 55.398 -42.375 1.00 73.14 H new ATOM 0 HB3 GLN A 12 -41.074 54.825 -42.398 1.00 73.14 H new ATOM 0 HG2 GLN A 12 -41.034 55.346 -44.890 1.00 4.43 H new ATOM 0 HG3 GLN A 12 -42.594 56.117 -44.684 1.00 4.43 H new ATOM 0 HE21 GLN A 12 -42.647 58.231 -44.176 1.00 23.44 H new ATOM 0 HE22 GLN A 12 -41.281 59.153 -43.541 1.00 23.44 H new ATOM 193 N GLN A 13 -41.354 51.411 -43.161 1.00 1.42 N ATOM 194 CA GLN A 13 -40.740 50.317 -42.418 1.00 63.33 C ATOM 195 C GLN A 13 -39.285 50.126 -42.832 1.00 54.15 C ATOM 196 O GLN A 13 -38.785 50.822 -43.714 1.00 43.34 O ATOM 197 CB GLN A 13 -41.521 49.020 -42.642 1.00 14.24 C ATOM 198 CG GLN A 13 -41.294 48.401 -44.011 1.00 53.53 C ATOM 199 CD GLN A 13 -41.318 46.887 -43.979 1.00 41.15 C ATOM 200 OE1 GLN A 13 -40.280 46.235 -44.094 1.00 63.32 O ATOM 201 NE2 GLN A 13 -42.507 46.317 -43.823 1.00 34.35 N ATOM 0 H GLN A 13 -41.372 51.277 -44.172 1.00 1.42 H new ATOM 0 HA GLN A 13 -40.766 50.571 -41.358 1.00 63.33 H new ATOM 0 HB2 GLN A 13 -41.238 48.299 -41.875 1.00 14.24 H new ATOM 0 HB3 GLN A 13 -42.585 49.220 -42.515 1.00 14.24 H new ATOM 0 HG2 GLN A 13 -42.061 48.758 -44.698 1.00 53.53 H new ATOM 0 HG3 GLN A 13 -40.334 48.737 -44.402 1.00 53.53 H new ATOM 0 HE21 GLN A 13 -43.342 46.896 -43.731 1.00 34.35 H new ATOM 0 HE22 GLN A 13 -42.585 45.300 -43.795 1.00 34.35 H new ATOM 210 N TYR A 14 -38.612 49.179 -42.190 1.00 32.34 N ATOM 211 CA TYR A 14 -37.213 48.897 -42.489 1.00 32.20 C ATOM 212 C TYR A 14 -36.855 47.461 -42.122 1.00 14.12 C ATOM 213 O TYR A 14 -36.966 47.059 -40.964 1.00 12.43 O ATOM 214 CB TYR A 14 -36.304 49.871 -41.738 1.00 32.22 C ATOM 215 CG TYR A 14 -34.840 49.494 -41.790 1.00 52.45 C ATOM 216 CD1 TYR A 14 -34.299 48.603 -40.874 1.00 34.24 C ATOM 217 CD2 TYR A 14 -33.999 50.032 -42.757 1.00 22.22 C ATOM 218 CE1 TYR A 14 -32.962 48.257 -40.917 1.00 31.12 C ATOM 219 CE2 TYR A 14 -32.660 49.691 -42.809 1.00 54.01 C ATOM 220 CZ TYR A 14 -32.147 48.804 -41.886 1.00 75.40 C ATOM 221 OH TYR A 14 -30.815 48.463 -41.934 1.00 1.24 O ATOM 0 H TYR A 14 -39.013 48.592 -41.458 1.00 32.34 H new ATOM 0 HA TYR A 14 -37.064 49.025 -43.561 1.00 32.20 H new ATOM 0 HB2 TYR A 14 -36.429 50.869 -42.158 1.00 32.22 H new ATOM 0 HB3 TYR A 14 -36.621 49.921 -40.696 1.00 32.22 H new ATOM 0 HD1 TYR A 14 -34.934 48.172 -40.114 1.00 34.24 H new ATOM 0 HD2 TYR A 14 -34.398 50.728 -43.480 1.00 22.22 H new ATOM 0 HE1 TYR A 14 -32.557 47.562 -40.196 1.00 31.12 H new ATOM 0 HE2 TYR A 14 -32.020 50.117 -43.568 1.00 54.01 H new ATOM 0 HH TYR A 14 -30.383 48.935 -42.676 1.00 1.24 H new ATOM 231 N GLY A 15 -36.422 46.691 -43.115 1.00 13.11 N ATOM 232 CA GLY A 15 -36.053 45.309 -42.877 1.00 44.01 C ATOM 233 C GLY A 15 -37.233 44.364 -42.997 1.00 51.42 C ATOM 234 O GLY A 15 -37.967 44.401 -43.983 1.00 43.01 O ATOM 0 H GLY A 15 -36.320 47.001 -44.082 1.00 13.11 H new ATOM 0 HA2 GLY A 15 -35.282 45.014 -43.589 1.00 44.01 H new ATOM 0 HA3 GLY A 15 -35.619 45.218 -41.881 1.00 44.01 H new ATOM 238 N ALA A 16 -37.415 43.516 -41.990 1.00 13.53 N ATOM 239 CA ALA A 16 -38.514 42.559 -41.987 1.00 44.43 C ATOM 240 C ALA A 16 -38.949 42.228 -40.563 1.00 45.41 C ATOM 241 O ALA A 16 -38.257 41.507 -39.845 1.00 54.05 O ATOM 242 CB ALA A 16 -38.111 41.291 -42.727 1.00 54.41 C ATOM 0 H ALA A 16 -36.815 43.473 -41.166 1.00 13.53 H new ATOM 0 HA ALA A 16 -39.361 43.013 -42.501 1.00 44.43 H new ATOM 0 HB1 ALA A 16 -38.941 40.585 -42.717 1.00 54.41 H new ATOM 0 HB2 ALA A 16 -37.856 41.537 -43.758 1.00 54.41 H new ATOM 0 HB3 ALA A 16 -37.247 40.842 -42.236 1.00 54.41 H new ATOM 248 N GLU A 17 -40.099 42.760 -40.162 1.00 42.32 N ATOM 249 CA GLU A 17 -40.625 42.522 -38.823 1.00 64.32 C ATOM 250 C GLU A 17 -39.654 43.025 -37.759 1.00 64.23 C ATOM 251 O GLU A 17 -39.420 42.357 -36.753 1.00 34.15 O ATOM 252 CB GLU A 17 -40.898 41.031 -38.617 1.00 30.34 C ATOM 253 CG GLU A 17 -42.195 40.745 -37.879 1.00 64.11 C ATOM 254 CD GLU A 17 -43.105 39.802 -38.643 1.00 21.15 C ATOM 255 OE1 GLU A 17 -43.699 40.236 -39.651 1.00 2.01 O ATOM 256 OE2 GLU A 17 -43.222 38.629 -38.231 1.00 32.14 O ATOM 0 H GLU A 17 -40.684 43.358 -40.745 1.00 42.32 H new ATOM 0 HA GLU A 17 -41.561 43.073 -38.724 1.00 64.32 H new ATOM 0 HB2 GLU A 17 -40.927 40.538 -39.589 1.00 30.34 H new ATOM 0 HB3 GLU A 17 -40.069 40.592 -38.061 1.00 30.34 H new ATOM 0 HG2 GLU A 17 -41.967 40.314 -36.904 1.00 64.11 H new ATOM 0 HG3 GLU A 17 -42.720 41.683 -37.697 1.00 64.11 H new ATOM 263 N GLU A 18 -39.089 44.206 -37.993 1.00 1.40 N ATOM 264 CA GLU A 18 -38.141 44.797 -37.055 1.00 22.40 C ATOM 265 C GLU A 18 -38.795 45.922 -36.257 1.00 61.21 C ATOM 266 O GLU A 18 -39.069 46.998 -36.791 1.00 35.34 O ATOM 267 CB GLU A 18 -36.918 45.332 -37.803 1.00 12.31 C ATOM 268 CG GLU A 18 -35.596 44.912 -37.183 1.00 3.42 C ATOM 269 CD GLU A 18 -34.772 46.094 -36.709 1.00 31.32 C ATOM 270 OE1 GLU A 18 -35.317 46.934 -35.963 1.00 11.50 O ATOM 271 OE2 GLU A 18 -33.584 46.178 -37.083 1.00 63.11 O ATOM 0 H GLU A 18 -39.271 44.771 -38.822 1.00 1.40 H new ATOM 0 HA GLU A 18 -37.823 44.020 -36.360 1.00 22.40 H new ATOM 0 HB2 GLU A 18 -36.953 44.984 -38.835 1.00 12.31 H new ATOM 0 HB3 GLU A 18 -36.967 46.421 -37.832 1.00 12.31 H new ATOM 0 HG2 GLU A 18 -35.789 44.247 -36.341 1.00 3.42 H new ATOM 0 HG3 GLU A 18 -35.021 44.343 -37.913 1.00 3.42 H new ATOM 278 N CYS A 19 -39.044 45.664 -34.978 1.00 40.33 N ATOM 279 CA CYS A 19 -39.667 46.653 -34.105 1.00 21.52 C ATOM 280 C CYS A 19 -39.303 46.397 -32.646 1.00 65.13 C ATOM 281 O CYS A 19 -39.597 45.334 -32.100 1.00 60.34 O ATOM 282 CB CYS A 19 -41.187 46.628 -34.277 1.00 43.52 C ATOM 283 SG CYS A 19 -41.950 45.040 -33.873 1.00 20.32 S ATOM 0 H CYS A 19 -38.824 44.778 -34.522 1.00 40.33 H new ATOM 0 HA CYS A 19 -39.293 47.637 -34.386 1.00 21.52 H new ATOM 0 HB2 CYS A 19 -41.626 47.401 -33.646 1.00 43.52 H new ATOM 0 HB3 CYS A 19 -41.429 46.883 -35.309 1.00 43.52 H new ATOM 0 HG CYS A 19 -41.283 44.470 -32.914 1.00 20.32 H new ATOM 289 N VAL A 20 -38.661 47.379 -32.022 1.00 21.32 N ATOM 290 CA VAL A 20 -38.257 47.260 -30.626 1.00 41.03 C ATOM 291 C VAL A 20 -37.245 46.135 -30.441 1.00 60.33 C ATOM 292 O VAL A 20 -37.332 45.357 -29.488 1.00 43.43 O ATOM 293 CB VAL A 20 -39.469 47.002 -29.711 1.00 35.22 C ATOM 294 CG1 VAL A 20 -39.052 47.045 -28.248 1.00 31.14 C ATOM 295 CG2 VAL A 20 -40.571 48.012 -29.988 1.00 43.23 C ATOM 0 H VAL A 20 -38.410 48.265 -32.460 1.00 21.32 H new ATOM 0 HA VAL A 20 -37.797 48.208 -30.348 1.00 41.03 H new ATOM 0 HB VAL A 20 -39.858 46.007 -29.925 1.00 35.22 H new ATOM 0 HG11 VAL A 20 -39.921 46.861 -27.616 1.00 31.14 H new ATOM 0 HG12 VAL A 20 -38.299 46.279 -28.062 1.00 31.14 H new ATOM 0 HG13 VAL A 20 -38.637 48.026 -28.017 1.00 31.14 H new ATOM 0 HG21 VAL A 20 -41.419 47.814 -29.332 1.00 43.23 H new ATOM 0 HG22 VAL A 20 -40.197 49.019 -29.803 1.00 43.23 H new ATOM 0 HG23 VAL A 20 -40.889 47.928 -31.027 1.00 43.23 H new ATOM 305 N LEU A 21 -36.285 46.053 -31.356 1.00 72.43 N ATOM 306 CA LEU A 21 -35.255 45.023 -31.294 1.00 2.44 C ATOM 307 C LEU A 21 -33.980 45.565 -30.655 1.00 51.11 C ATOM 308 O LEU A 21 -33.346 44.891 -29.845 1.00 2.44 O ATOM 309 CB LEU A 21 -34.951 44.493 -32.697 1.00 33.02 C ATOM 310 CG LEU A 21 -34.778 42.978 -32.818 1.00 44.15 C ATOM 311 CD1 LEU A 21 -35.517 42.454 -34.041 1.00 62.12 C ATOM 312 CD2 LEU A 21 -33.303 42.613 -32.887 1.00 41.32 C ATOM 0 H LEU A 21 -36.199 46.688 -32.150 1.00 72.43 H new ATOM 0 HA LEU A 21 -35.629 44.206 -30.677 1.00 2.44 H new ATOM 0 HB2 LEU A 21 -35.757 44.801 -33.363 1.00 33.02 H new ATOM 0 HB3 LEU A 21 -34.040 44.973 -33.056 1.00 33.02 H new ATOM 0 HG LEU A 21 -35.205 42.510 -31.931 1.00 44.15 H new ATOM 0 HD11 LEU A 21 -35.383 41.375 -34.112 1.00 62.12 H new ATOM 0 HD12 LEU A 21 -36.579 42.683 -33.950 1.00 62.12 H new ATOM 0 HD13 LEU A 21 -35.119 42.929 -34.938 1.00 62.12 H new ATOM 0 HD21 LEU A 21 -33.199 41.531 -32.973 1.00 41.32 H new ATOM 0 HD22 LEU A 21 -32.850 43.091 -33.756 1.00 41.32 H new ATOM 0 HD23 LEU A 21 -32.801 42.955 -31.982 1.00 41.32 H new ATOM 324 N GLN A 22 -33.613 46.788 -31.026 1.00 51.02 N ATOM 325 CA GLN A 22 -32.415 47.421 -30.488 1.00 31.25 C ATOM 326 C GLN A 22 -32.737 48.796 -29.915 1.00 32.34 C ATOM 327 O GLN A 22 -33.678 49.457 -30.352 1.00 53.35 O ATOM 328 CB GLN A 22 -31.348 47.546 -31.575 1.00 4.24 C ATOM 329 CG GLN A 22 -31.795 48.358 -32.778 1.00 53.52 C ATOM 330 CD GLN A 22 -30.633 48.953 -33.548 1.00 13.21 C ATOM 331 OE1 GLN A 22 -29.584 49.254 -32.977 1.00 40.24 O ATOM 332 NE2 GLN A 22 -30.813 49.127 -34.852 1.00 52.31 N ATOM 0 H GLN A 22 -34.128 47.359 -31.696 1.00 51.02 H new ATOM 0 HA GLN A 22 -32.032 46.793 -29.683 1.00 31.25 H new ATOM 0 HB2 GLN A 22 -30.458 48.007 -31.147 1.00 4.24 H new ATOM 0 HB3 GLN A 22 -31.062 46.548 -31.907 1.00 4.24 H new ATOM 0 HG2 GLN A 22 -32.379 47.722 -33.444 1.00 53.52 H new ATOM 0 HG3 GLN A 22 -32.453 49.160 -32.445 1.00 53.52 H new ATOM 0 HE21 GLN A 22 -31.699 48.864 -35.284 1.00 52.31 H new ATOM 0 HE22 GLN A 22 -30.066 49.524 -35.421 1.00 52.31 H new ATOM 341 N MET A 23 -31.950 49.222 -28.931 1.00 75.10 N ATOM 342 CA MET A 23 -32.152 50.519 -28.298 1.00 41.50 C ATOM 343 C MET A 23 -31.624 51.644 -29.183 1.00 54.42 C ATOM 344 O MET A 23 -32.253 52.694 -29.309 1.00 43.51 O ATOM 345 CB MET A 23 -31.458 50.560 -26.936 1.00 31.15 C ATOM 346 CG MET A 23 -29.963 50.819 -27.022 1.00 41.21 C ATOM 347 SD MET A 23 -29.048 49.406 -27.669 1.00 31.45 S ATOM 348 CE MET A 23 -27.734 50.231 -28.560 1.00 41.44 C ATOM 0 H MET A 23 -31.167 48.687 -28.556 1.00 75.10 H new ATOM 0 HA MET A 23 -33.223 50.663 -28.157 1.00 41.50 H new ATOM 0 HB2 MET A 23 -31.918 51.337 -26.326 1.00 31.15 H new ATOM 0 HB3 MET A 23 -31.625 49.612 -26.424 1.00 31.15 H new ATOM 0 HG2 MET A 23 -29.785 51.685 -27.659 1.00 41.21 H new ATOM 0 HG3 MET A 23 -29.584 51.069 -26.031 1.00 41.21 H new ATOM 0 HE1 MET A 23 -27.891 50.113 -29.632 1.00 41.44 H new ATOM 0 HE2 MET A 23 -27.734 51.291 -28.308 1.00 41.44 H new ATOM 0 HE3 MET A 23 -26.775 49.792 -28.283 1.00 41.44 H new ATOM 358 N GLY A 24 -30.465 51.416 -29.795 1.00 52.42 N ATOM 359 CA GLY A 24 -29.872 52.420 -30.659 1.00 71.35 C ATOM 360 C GLY A 24 -30.233 53.831 -30.240 1.00 4.24 C ATOM 361 O GLY A 24 -30.250 54.148 -29.052 1.00 4.21 O ATOM 0 H GLY A 24 -29.927 50.554 -29.708 1.00 52.42 H new ATOM 0 HA2 GLY A 24 -28.788 52.308 -30.650 1.00 71.35 H new ATOM 0 HA3 GLY A 24 -30.202 52.253 -31.684 1.00 71.35 H new ATOM 365 N GLY A 25 -30.520 54.683 -31.220 1.00 12.31 N ATOM 366 CA GLY A 25 -30.875 56.060 -30.926 1.00 43.01 C ATOM 367 C GLY A 25 -32.203 56.175 -30.207 1.00 22.53 C ATOM 368 O GLY A 25 -33.049 55.286 -30.303 1.00 62.23 O ATOM 0 H GLY A 25 -30.513 54.445 -32.212 1.00 12.31 H new ATOM 0 HA2 GLY A 25 -30.094 56.511 -30.314 1.00 43.01 H new ATOM 0 HA3 GLY A 25 -30.918 56.627 -31.856 1.00 43.01 H new ATOM 372 N VAL A 26 -32.389 57.273 -29.482 1.00 40.20 N ATOM 373 CA VAL A 26 -33.624 57.501 -28.742 1.00 42.42 C ATOM 374 C VAL A 26 -33.904 58.992 -28.587 1.00 74.11 C ATOM 375 O VAL A 26 -32.982 59.797 -28.445 1.00 31.12 O ATOM 376 CB VAL A 26 -33.572 56.851 -27.347 1.00 64.21 C ATOM 377 CG1 VAL A 26 -32.419 57.421 -26.535 1.00 5.23 C ATOM 378 CG2 VAL A 26 -34.894 57.045 -26.620 1.00 3.24 C ATOM 0 H VAL A 26 -31.699 58.019 -29.391 1.00 40.20 H new ATOM 0 HA VAL A 26 -34.427 57.041 -29.318 1.00 42.42 H new ATOM 0 HB VAL A 26 -33.404 55.781 -27.470 1.00 64.21 H new ATOM 0 HG11 VAL A 26 -32.398 56.950 -25.552 1.00 5.23 H new ATOM 0 HG12 VAL A 26 -31.479 57.226 -27.051 1.00 5.23 H new ATOM 0 HG13 VAL A 26 -32.552 58.497 -26.419 1.00 5.23 H new ATOM 0 HG21 VAL A 26 -34.840 56.579 -25.636 1.00 3.24 H new ATOM 0 HG22 VAL A 26 -35.094 58.110 -26.507 1.00 3.24 H new ATOM 0 HG23 VAL A 26 -35.697 56.584 -27.196 1.00 3.24 H new ATOM 388 N LEU A 27 -35.181 59.355 -28.613 1.00 34.31 N ATOM 389 CA LEU A 27 -35.584 60.750 -28.472 1.00 15.04 C ATOM 390 C LEU A 27 -36.550 60.923 -27.306 1.00 72.42 C ATOM 391 O LEU A 27 -37.193 59.953 -26.905 1.00 44.00 O ATOM 392 CB LEU A 27 -36.233 61.246 -29.765 1.00 1.42 C ATOM 393 CG LEU A 27 -37.349 60.370 -30.335 1.00 51.45 C ATOM 394 CD1 LEU A 27 -38.701 60.815 -29.803 1.00 61.42 C ATOM 395 CD2 LEU A 27 -37.332 60.410 -31.857 1.00 74.41 C ATOM 0 H LEU A 27 -35.956 58.702 -28.730 1.00 34.31 H new ATOM 0 HA LEU A 27 -34.691 61.342 -28.270 1.00 15.04 H new ATOM 0 HB2 LEU A 27 -36.636 62.243 -29.586 1.00 1.42 H new ATOM 0 HB3 LEU A 27 -35.456 61.348 -30.522 1.00 1.42 H new ATOM 0 HG LEU A 27 -37.178 59.342 -30.016 1.00 51.45 H new ATOM 0 HD11 LEU A 27 -39.483 60.180 -30.220 1.00 61.42 H new ATOM 0 HD12 LEU A 27 -38.709 60.734 -28.716 1.00 61.42 H new ATOM 0 HD13 LEU A 27 -38.883 61.850 -30.091 1.00 61.42 H new ATOM 0 HD21 LEU A 27 -38.133 59.781 -32.246 1.00 74.41 H new ATOM 0 HD22 LEU A 27 -37.479 61.436 -32.196 1.00 74.41 H new ATOM 0 HD23 LEU A 27 -36.372 60.042 -32.220 1.00 74.41 H new ATOM 407 N CYS A 28 -36.636 62.143 -26.792 1.00 62.43 N ATOM 408 CA CYS A 28 -37.526 62.425 -25.680 1.00 61.34 C ATOM 409 C CYS A 28 -38.969 62.304 -26.176 1.00 2.13 C ATOM 410 O CYS A 28 -39.341 62.750 -27.261 1.00 4.35 O ATOM 411 CB CYS A 28 -37.248 63.800 -25.068 1.00 10.24 C ATOM 412 SG CYS A 28 -37.004 63.642 -23.261 1.00 1.53 S ATOM 0 H CYS A 28 -36.103 62.946 -27.126 1.00 62.43 H new ATOM 0 HA CYS A 28 -37.355 61.702 -24.882 1.00 61.34 H new ATOM 0 HB2 CYS A 28 -36.362 64.239 -25.526 1.00 10.24 H new ATOM 0 HB3 CYS A 28 -38.080 64.474 -25.274 1.00 10.24 H new ATOM 417 N PRO A 29 -39.805 61.673 -25.338 1.00 11.54 N ATOM 418 CA PRO A 29 -41.223 61.463 -25.644 1.00 42.32 C ATOM 419 C PRO A 29 -42.020 62.763 -25.616 1.00 50.34 C ATOM 420 O PRO A 29 -43.187 62.795 -26.009 1.00 35.25 O ATOM 421 CB PRO A 29 -41.692 60.525 -24.529 1.00 51.41 C ATOM 422 CG PRO A 29 -40.755 60.783 -23.399 1.00 54.11 C ATOM 423 CD PRO A 29 -39.431 61.116 -24.026 1.00 41.35 C ATOM 0 HA PRO A 29 -41.368 61.061 -26.647 1.00 42.32 H new ATOM 0 HB2 PRO A 29 -42.723 60.733 -24.244 1.00 51.41 H new ATOM 0 HB3 PRO A 29 -41.653 59.483 -24.846 1.00 51.41 H new ATOM 0 HG2 PRO A 29 -41.110 61.605 -22.778 1.00 54.11 H new ATOM 0 HG3 PRO A 29 -40.672 59.909 -22.754 1.00 54.11 H new ATOM 0 HD2 PRO A 29 -38.873 61.836 -23.428 1.00 41.35 H new ATOM 0 HD3 PRO A 29 -38.802 60.232 -24.129 1.00 41.35 H new ATOM 431 N ARG A 30 -41.382 63.834 -25.154 1.00 23.42 N ATOM 432 CA ARG A 30 -42.034 65.136 -25.075 1.00 10.31 C ATOM 433 C ARG A 30 -41.927 65.877 -26.404 1.00 42.15 C ATOM 434 O ARG A 30 -40.885 65.885 -27.058 1.00 3.23 O ATOM 435 CB ARG A 30 -41.408 65.976 -23.960 1.00 11.24 C ATOM 436 CG ARG A 30 -41.646 65.414 -22.568 1.00 24.42 C ATOM 437 CD ARG A 30 -40.374 65.435 -21.734 1.00 54.02 C ATOM 438 NE ARG A 30 -40.656 65.600 -20.310 1.00 42.20 N ATOM 439 CZ ARG A 30 -41.244 66.673 -19.798 1.00 52.13 C ATOM 440 NH1 ARG A 30 -41.615 67.672 -20.588 1.00 44.42 N ATOM 441 NH2 ARG A 30 -41.468 66.750 -18.492 1.00 55.41 N ATOM 0 H ARG A 30 -40.415 63.826 -24.829 1.00 23.42 H new ATOM 0 HA ARG A 30 -43.088 64.974 -24.851 1.00 10.31 H new ATOM 0 HB2 ARG A 30 -40.335 66.052 -24.133 1.00 11.24 H new ATOM 0 HB3 ARG A 30 -41.812 66.987 -24.008 1.00 11.24 H new ATOM 0 HG2 ARG A 30 -42.420 65.995 -22.067 1.00 24.42 H new ATOM 0 HG3 ARG A 30 -42.015 64.391 -22.645 1.00 24.42 H new ATOM 0 HD2 ARG A 30 -39.823 64.507 -21.889 1.00 54.02 H new ATOM 0 HD3 ARG A 30 -39.732 66.248 -22.073 1.00 54.02 H new ATOM 0 HE ARG A 30 -40.386 64.849 -19.675 1.00 42.20 H new ATOM 0 HH11 ARG A 30 -41.448 67.617 -21.593 1.00 44.42 H new ATOM 0 HH12 ARG A 30 -42.067 68.496 -20.191 1.00 44.42 H new ATOM 0 HH21 ARG A 30 -41.188 65.983 -17.880 1.00 55.41 H new ATOM 0 HH22 ARG A 30 -41.920 67.576 -18.100 1.00 55.41 H new ATOM 455 N PRO A 31 -43.033 66.516 -26.817 1.00 15.11 N ATOM 456 CA PRO A 31 -43.090 67.271 -28.071 1.00 54.31 C ATOM 457 C PRO A 31 -42.256 68.546 -28.018 1.00 5.34 C ATOM 458 O PRO A 31 -41.752 69.013 -29.039 1.00 54.32 O ATOM 459 CB PRO A 31 -44.576 67.611 -28.212 1.00 62.14 C ATOM 460 CG PRO A 31 -45.102 67.599 -26.820 1.00 75.43 C ATOM 461 CD PRO A 31 -44.313 66.550 -26.087 1.00 4.42 C ATOM 0 HA PRO A 31 -42.687 66.702 -28.908 1.00 54.31 H new ATOM 0 HB2 PRO A 31 -44.716 68.586 -28.680 1.00 62.14 H new ATOM 0 HB3 PRO A 31 -45.091 66.881 -28.836 1.00 62.14 H new ATOM 0 HG2 PRO A 31 -44.984 68.575 -26.350 1.00 75.43 H new ATOM 0 HG3 PRO A 31 -46.167 67.366 -26.807 1.00 75.43 H new ATOM 0 HD2 PRO A 31 -44.171 66.813 -25.039 1.00 4.42 H new ATOM 0 HD3 PRO A 31 -44.814 65.582 -26.108 1.00 4.42 H new ATOM 469 N GLY A 32 -42.110 69.104 -26.820 1.00 42.51 N ATOM 470 CA GLY A 32 -41.334 70.320 -26.658 1.00 34.00 C ATOM 471 C GLY A 32 -39.863 70.041 -26.425 1.00 50.51 C ATOM 472 O GLY A 32 -39.098 70.986 -26.235 1.00 44.40 O ATOM 0 H GLY A 32 -42.515 68.736 -25.959 1.00 42.51 H new ATOM 0 HA2 GLY A 32 -41.447 70.941 -27.547 1.00 34.00 H new ATOM 0 HA3 GLY A 32 -41.730 70.891 -25.818 1.00 34.00 H new ATOM 476 N CYS A 33 -39.495 68.770 -26.444 1.00 34.53 N ATOM 477 CA CYS A 33 -38.109 68.389 -26.230 1.00 63.21 C ATOM 478 C CYS A 33 -37.689 67.453 -27.365 1.00 24.42 C ATOM 479 O CYS A 33 -38.189 66.339 -27.513 1.00 63.40 O ATOM 480 CB CYS A 33 -37.902 67.748 -24.856 1.00 61.12 C ATOM 481 SG CYS A 33 -36.216 67.049 -24.737 1.00 42.32 S ATOM 0 H CYS A 33 -40.132 67.990 -26.604 1.00 34.53 H new ATOM 0 HA CYS A 33 -37.479 69.279 -26.240 1.00 63.21 H new ATOM 0 HB2 CYS A 33 -38.052 68.491 -24.073 1.00 61.12 H new ATOM 0 HB3 CYS A 33 -38.642 66.963 -24.697 1.00 61.12 H new ATOM 486 N GLY A 34 -36.747 67.935 -28.171 1.00 25.45 N ATOM 487 CA GLY A 34 -36.256 67.150 -29.290 1.00 0.55 C ATOM 488 C GLY A 34 -34.901 66.528 -29.010 1.00 52.23 C ATOM 489 O GLY A 34 -34.015 66.546 -29.864 1.00 65.51 O ATOM 0 H GLY A 34 -36.316 68.854 -28.069 1.00 25.45 H new ATOM 0 HA2 GLY A 34 -36.974 66.363 -29.520 1.00 0.55 H new ATOM 0 HA3 GLY A 34 -36.186 67.785 -30.173 1.00 0.55 H new ATOM 493 N ALA A 35 -34.739 65.980 -27.812 1.00 31.24 N ATOM 494 CA ALA A 35 -33.484 65.349 -27.422 1.00 11.40 C ATOM 495 C ALA A 35 -32.878 64.570 -28.584 1.00 55.10 C ATOM 496 O ALA A 35 -31.798 64.903 -29.071 1.00 22.24 O ATOM 497 CB ALA A 35 -33.701 64.434 -26.226 1.00 55.34 C ATOM 0 H ALA A 35 -35.462 65.960 -27.093 1.00 31.24 H new ATOM 0 HA ALA A 35 -32.783 66.135 -27.140 1.00 11.40 H new ATOM 0 HB1 ALA A 35 -32.755 63.970 -25.946 1.00 55.34 H new ATOM 0 HB2 ALA A 35 -34.082 65.016 -25.387 1.00 55.34 H new ATOM 0 HB3 ALA A 35 -34.422 63.659 -26.487 1.00 55.34 H new ATOM 503 N GLY A 36 -33.580 63.531 -29.024 1.00 72.24 N ATOM 504 CA GLY A 36 -33.095 62.720 -30.125 1.00 41.03 C ATOM 505 C GLY A 36 -31.588 62.558 -30.106 1.00 53.44 C ATOM 506 O GLY A 36 -30.907 62.900 -31.074 1.00 32.34 O ATOM 0 H GLY A 36 -34.477 63.236 -28.637 1.00 72.24 H new ATOM 0 HA2 GLY A 36 -33.564 61.737 -30.082 1.00 41.03 H new ATOM 0 HA3 GLY A 36 -33.396 63.176 -31.068 1.00 41.03 H new ATOM 510 N LEU A 37 -31.065 62.037 -29.002 1.00 12.51 N ATOM 511 CA LEU A 37 -29.627 61.832 -28.857 1.00 71.24 C ATOM 512 C LEU A 37 -29.316 60.374 -28.537 1.00 45.31 C ATOM 513 O LEU A 37 -30.134 59.667 -27.948 1.00 54.32 O ATOM 514 CB LEU A 37 -29.070 62.739 -27.759 1.00 41.34 C ATOM 515 CG LEU A 37 -29.867 62.783 -26.456 1.00 11.11 C ATOM 516 CD1 LEU A 37 -29.077 62.143 -25.325 1.00 15.42 C ATOM 517 CD2 LEU A 37 -30.238 64.216 -26.106 1.00 54.35 C ATOM 0 H LEU A 37 -31.615 61.748 -28.193 1.00 12.51 H new ATOM 0 HA LEU A 37 -29.151 62.086 -29.804 1.00 71.24 H new ATOM 0 HB2 LEU A 37 -28.054 62.416 -27.529 1.00 41.34 H new ATOM 0 HB3 LEU A 37 -29.001 63.753 -28.153 1.00 41.34 H new ATOM 0 HG LEU A 37 -30.787 62.215 -26.596 1.00 11.11 H new ATOM 0 HD11 LEU A 37 -29.660 62.184 -24.405 1.00 15.42 H new ATOM 0 HD12 LEU A 37 -28.863 61.103 -25.573 1.00 15.42 H new ATOM 0 HD13 LEU A 37 -28.140 62.683 -25.185 1.00 15.42 H new ATOM 0 HD21 LEU A 37 -30.805 64.228 -25.175 1.00 54.35 H new ATOM 0 HD22 LEU A 37 -29.331 64.808 -25.986 1.00 54.35 H new ATOM 0 HD23 LEU A 37 -30.845 64.641 -26.906 1.00 54.35 H new ATOM 529 N LEU A 38 -28.125 59.931 -28.926 1.00 2.31 N ATOM 530 CA LEU A 38 -27.702 58.558 -28.677 1.00 63.32 C ATOM 531 C LEU A 38 -27.474 58.318 -27.188 1.00 70.02 C ATOM 532 O LEU A 38 -26.803 59.091 -26.506 1.00 53.21 O ATOM 533 CB LEU A 38 -26.422 58.247 -29.456 1.00 55.22 C ATOM 534 CG LEU A 38 -26.279 56.814 -29.970 1.00 62.51 C ATOM 535 CD1 LEU A 38 -27.223 56.569 -31.137 1.00 4.45 C ATOM 536 CD2 LEU A 38 -24.839 56.535 -30.377 1.00 73.23 C ATOM 0 H LEU A 38 -27.436 60.503 -29.415 1.00 2.31 H new ATOM 0 HA LEU A 38 -28.497 57.894 -29.016 1.00 63.32 H new ATOM 0 HB2 LEU A 38 -26.366 58.924 -30.308 1.00 55.22 H new ATOM 0 HB3 LEU A 38 -25.568 58.469 -28.816 1.00 55.22 H new ATOM 0 HG LEU A 38 -26.546 56.130 -29.164 1.00 62.51 H new ATOM 0 HD11 LEU A 38 -27.107 55.544 -31.490 1.00 4.45 H new ATOM 0 HD12 LEU A 38 -28.251 56.727 -30.812 1.00 4.45 H new ATOM 0 HD13 LEU A 38 -26.988 57.260 -31.947 1.00 4.45 H new ATOM 0 HD21 LEU A 38 -24.756 55.511 -30.740 1.00 73.23 H new ATOM 0 HD22 LEU A 38 -24.544 57.225 -31.167 1.00 73.23 H new ATOM 0 HD23 LEU A 38 -24.185 56.669 -29.515 1.00 73.23 H new ATOM 548 N PRO A 39 -28.045 57.220 -26.671 1.00 34.14 N ATOM 549 CA PRO A 39 -27.916 56.852 -25.258 1.00 34.53 C ATOM 550 C PRO A 39 -26.503 56.405 -24.902 1.00 24.52 C ATOM 551 O PRO A 39 -25.799 55.825 -25.728 1.00 15.22 O ATOM 552 CB PRO A 39 -28.900 55.689 -25.103 1.00 13.00 C ATOM 553 CG PRO A 39 -29.012 55.104 -26.468 1.00 74.23 C ATOM 554 CD PRO A 39 -28.859 56.252 -27.425 1.00 51.45 C ATOM 0 HA PRO A 39 -28.122 57.694 -24.597 1.00 34.53 H new ATOM 0 HB2 PRO A 39 -28.534 54.954 -24.386 1.00 13.00 H new ATOM 0 HB3 PRO A 39 -29.868 56.035 -24.740 1.00 13.00 H new ATOM 0 HG2 PRO A 39 -28.241 54.352 -26.635 1.00 74.23 H new ATOM 0 HG3 PRO A 39 -29.974 54.609 -26.603 1.00 74.23 H new ATOM 0 HD2 PRO A 39 -28.365 55.944 -28.346 1.00 51.45 H new ATOM 0 HD3 PRO A 39 -29.825 56.672 -27.706 1.00 51.45 H new ATOM 562 N GLU A 40 -26.095 56.676 -23.666 1.00 12.14 N ATOM 563 CA GLU A 40 -24.763 56.301 -23.202 1.00 75.42 C ATOM 564 C GLU A 40 -24.582 54.785 -23.237 1.00 53.51 C ATOM 565 O GLU A 40 -25.546 54.022 -23.302 1.00 10.32 O ATOM 566 CB GLU A 40 -24.530 56.821 -21.782 1.00 3.34 C ATOM 567 CG GLU A 40 -23.966 58.233 -21.736 1.00 61.54 C ATOM 568 CD GLU A 40 -22.936 58.485 -22.820 1.00 74.33 C ATOM 569 OE1 GLU A 40 -21.783 58.033 -22.660 1.00 12.32 O ATOM 570 OE2 GLU A 40 -23.283 59.134 -23.829 1.00 55.20 O ATOM 0 H GLU A 40 -26.666 57.153 -22.969 1.00 12.14 H new ATOM 0 HA GLU A 40 -24.031 56.752 -23.872 1.00 75.42 H new ATOM 0 HB2 GLU A 40 -25.473 56.797 -21.236 1.00 3.34 H new ATOM 0 HB3 GLU A 40 -23.846 56.148 -21.265 1.00 3.34 H new ATOM 0 HG2 GLU A 40 -24.781 58.949 -21.841 1.00 61.54 H new ATOM 0 HG3 GLU A 40 -23.512 58.407 -20.761 1.00 61.54 H new ATOM 577 N PRO A 41 -23.317 54.341 -23.193 1.00 61.54 N ATOM 578 CA PRO A 41 -22.980 52.915 -23.218 1.00 31.54 C ATOM 579 C PRO A 41 -23.380 52.201 -21.931 1.00 1.20 C ATOM 580 O PRO A 41 -23.021 51.045 -21.714 1.00 65.30 O ATOM 581 CB PRO A 41 -21.458 52.914 -23.379 1.00 50.31 C ATOM 582 CG PRO A 41 -21.017 54.220 -22.816 1.00 50.42 C ATOM 583 CD PRO A 41 -22.122 55.195 -23.115 1.00 64.21 C ATOM 0 HA PRO A 41 -23.507 52.386 -24.012 1.00 31.54 H new ATOM 0 HB2 PRO A 41 -21.004 52.079 -22.845 1.00 50.31 H new ATOM 0 HB3 PRO A 41 -21.171 52.817 -24.426 1.00 50.31 H new ATOM 0 HG2 PRO A 41 -20.844 54.144 -21.743 1.00 50.42 H new ATOM 0 HG3 PRO A 41 -20.079 54.543 -23.268 1.00 50.42 H new ATOM 0 HD2 PRO A 41 -22.216 55.948 -22.333 1.00 64.21 H new ATOM 0 HD3 PRO A 41 -21.946 55.727 -24.050 1.00 64.21 H new ATOM 591 N ASP A 42 -24.123 52.898 -21.080 1.00 73.14 N ATOM 592 CA ASP A 42 -24.575 52.330 -19.815 1.00 0.42 C ATOM 593 C ASP A 42 -25.943 52.881 -19.428 1.00 61.35 C ATOM 594 O ASP A 42 -26.056 54.006 -18.943 1.00 12.53 O ATOM 595 CB ASP A 42 -23.561 52.629 -18.708 1.00 5.11 C ATOM 596 CG ASP A 42 -23.352 54.116 -18.501 1.00 34.32 C ATOM 597 OD1 ASP A 42 -23.242 54.846 -19.506 1.00 73.23 O ATOM 598 OD2 ASP A 42 -23.298 54.549 -17.329 1.00 10.23 O ATOM 0 H ASP A 42 -24.426 53.858 -21.243 1.00 73.14 H new ATOM 0 HA ASP A 42 -24.661 51.251 -19.940 1.00 0.42 H new ATOM 0 HB2 ASP A 42 -23.902 52.180 -17.775 1.00 5.11 H new ATOM 0 HB3 ASP A 42 -22.608 52.162 -18.956 1.00 5.11 H new ATOM 603 N GLN A 43 -26.980 52.080 -19.649 1.00 32.23 N ATOM 604 CA GLN A 43 -28.343 52.489 -19.324 1.00 62.43 C ATOM 605 C GLN A 43 -28.447 52.932 -17.869 1.00 4.31 C ATOM 606 O GLN A 43 -29.337 53.701 -17.508 1.00 34.22 O ATOM 607 CB GLN A 43 -29.319 51.340 -19.592 1.00 13.22 C ATOM 608 CG GLN A 43 -29.278 50.250 -18.534 1.00 25.32 C ATOM 609 CD GLN A 43 -29.970 48.978 -18.981 1.00 65.31 C ATOM 610 OE1 GLN A 43 -29.502 48.288 -19.889 1.00 1.24 O ATOM 611 NE2 GLN A 43 -31.092 48.659 -18.346 1.00 65.43 N ATOM 0 H GLN A 43 -26.904 51.146 -20.051 1.00 32.23 H new ATOM 0 HA GLN A 43 -28.604 53.335 -19.960 1.00 62.43 H new ATOM 0 HB2 GLN A 43 -30.331 51.740 -19.651 1.00 13.22 H new ATOM 0 HB3 GLN A 43 -29.093 50.901 -20.564 1.00 13.22 H new ATOM 0 HG2 GLN A 43 -28.240 50.027 -18.287 1.00 25.32 H new ATOM 0 HG3 GLN A 43 -29.751 50.616 -17.622 1.00 25.32 H new ATOM 0 HE21 GLN A 43 -31.444 49.259 -17.600 1.00 65.43 H new ATOM 0 HE22 GLN A 43 -31.602 47.814 -18.604 1.00 65.43 H new ATOM 620 N ARG A 44 -27.532 52.441 -17.039 1.00 45.15 N ATOM 621 CA ARG A 44 -27.522 52.787 -15.624 1.00 75.22 C ATOM 622 C ARG A 44 -27.975 54.228 -15.411 1.00 11.10 C ATOM 623 O ARG A 44 -28.862 54.499 -14.602 1.00 24.21 O ATOM 624 CB ARG A 44 -26.122 52.590 -15.038 1.00 24.31 C ATOM 625 CG ARG A 44 -25.673 51.137 -15.009 1.00 0.42 C ATOM 626 CD ARG A 44 -24.332 50.954 -15.701 1.00 41.03 C ATOM 627 NE ARG A 44 -23.494 49.972 -15.021 1.00 1.54 N ATOM 628 CZ ARG A 44 -22.698 50.266 -13.999 1.00 14.11 C ATOM 629 NH1 ARG A 44 -22.636 51.510 -13.540 1.00 43.43 N ATOM 630 NH2 ARG A 44 -21.965 49.318 -13.430 1.00 63.24 N ATOM 0 H ARG A 44 -26.789 51.803 -17.323 1.00 45.15 H new ATOM 0 HA ARG A 44 -28.220 52.126 -15.111 1.00 75.22 H new ATOM 0 HB2 ARG A 44 -25.408 53.171 -15.622 1.00 24.31 H new ATOM 0 HB3 ARG A 44 -26.103 52.988 -14.023 1.00 24.31 H new ATOM 0 HG2 ARG A 44 -25.599 50.798 -13.976 1.00 0.42 H new ATOM 0 HG3 ARG A 44 -26.423 50.514 -15.496 1.00 0.42 H new ATOM 0 HD2 ARG A 44 -24.496 50.639 -16.731 1.00 41.03 H new ATOM 0 HD3 ARG A 44 -23.811 51.910 -15.740 1.00 41.03 H new ATOM 0 HE ARG A 44 -23.521 49.006 -15.349 1.00 1.54 H new ATOM 0 HH11 ARG A 44 -23.200 52.242 -13.972 1.00 43.43 H new ATOM 0 HH12 ARG A 44 -22.024 51.734 -12.755 1.00 43.43 H new ATOM 0 HH21 ARG A 44 -22.012 48.360 -13.777 1.00 63.24 H new ATOM 0 HH22 ARG A 44 -21.355 49.547 -12.645 1.00 63.24 H new ATOM 644 N LYS A 45 -27.360 55.150 -16.144 1.00 32.21 N ATOM 645 CA LYS A 45 -27.699 56.564 -16.038 1.00 50.44 C ATOM 646 C LYS A 45 -27.634 57.243 -17.403 1.00 23.14 C ATOM 647 O LYS A 45 -26.551 57.551 -17.902 1.00 74.02 O ATOM 648 CB LYS A 45 -26.752 57.264 -15.062 1.00 15.03 C ATOM 649 CG LYS A 45 -27.256 58.620 -14.593 1.00 24.15 C ATOM 650 CD LYS A 45 -26.959 58.845 -13.120 1.00 30.55 C ATOM 651 CE LYS A 45 -28.201 58.639 -12.264 1.00 30.02 C ATOM 652 NZ LYS A 45 -28.287 59.637 -11.164 1.00 53.21 N ATOM 0 H LYS A 45 -26.623 54.943 -16.819 1.00 32.21 H new ATOM 0 HA LYS A 45 -28.719 56.641 -15.662 1.00 50.44 H new ATOM 0 HB2 LYS A 45 -26.599 56.623 -14.194 1.00 15.03 H new ATOM 0 HB3 LYS A 45 -25.781 57.392 -15.540 1.00 15.03 H new ATOM 0 HG2 LYS A 45 -26.788 59.407 -15.184 1.00 24.15 H new ATOM 0 HG3 LYS A 45 -28.330 58.689 -14.763 1.00 24.15 H new ATOM 0 HD2 LYS A 45 -26.175 58.160 -12.797 1.00 30.55 H new ATOM 0 HD3 LYS A 45 -26.579 59.856 -12.974 1.00 30.55 H new ATOM 0 HE2 LYS A 45 -29.090 58.711 -12.890 1.00 30.02 H new ATOM 0 HE3 LYS A 45 -28.189 57.634 -11.842 1.00 30.02 H new ATOM 0 HZ1 LYS A 45 -29.146 59.463 -10.604 1.00 53.21 H new ATOM 0 HZ2 LYS A 45 -27.451 59.551 -10.551 1.00 53.21 H new ATOM 0 HZ3 LYS A 45 -28.324 60.595 -11.567 1.00 53.21 H new ATOM 666 N VAL A 46 -28.798 57.474 -18.001 1.00 32.14 N ATOM 667 CA VAL A 46 -28.873 58.119 -19.306 1.00 31.01 C ATOM 668 C VAL A 46 -29.606 59.454 -19.219 1.00 22.31 C ATOM 669 O VAL A 46 -30.814 59.497 -18.989 1.00 35.35 O ATOM 670 CB VAL A 46 -29.585 57.221 -20.335 1.00 42.43 C ATOM 671 CG1 VAL A 46 -30.166 58.060 -21.463 1.00 62.15 C ATOM 672 CG2 VAL A 46 -28.627 56.172 -20.879 1.00 61.23 C ATOM 0 H VAL A 46 -29.703 57.224 -17.602 1.00 32.14 H new ATOM 0 HA VAL A 46 -27.848 58.292 -19.633 1.00 31.01 H new ATOM 0 HB VAL A 46 -30.406 56.706 -19.836 1.00 42.43 H new ATOM 0 HG11 VAL A 46 -30.665 57.409 -22.181 1.00 62.15 H new ATOM 0 HG12 VAL A 46 -30.886 58.770 -21.055 1.00 62.15 H new ATOM 0 HG13 VAL A 46 -29.364 58.603 -21.963 1.00 62.15 H new ATOM 0 HG21 VAL A 46 -29.147 55.546 -21.605 1.00 61.23 H new ATOM 0 HG22 VAL A 46 -27.784 56.665 -21.363 1.00 61.23 H new ATOM 0 HG23 VAL A 46 -28.263 55.552 -20.060 1.00 61.23 H new ATOM 682 N THR A 47 -28.865 60.542 -19.405 1.00 74.02 N ATOM 683 CA THR A 47 -29.445 61.878 -19.346 1.00 22.41 C ATOM 684 C THR A 47 -29.844 62.365 -20.735 1.00 54.12 C ATOM 685 O THR A 47 -29.064 62.213 -21.673 1.00 73.30 O ATOM 686 CB THR A 47 -28.464 62.889 -18.723 1.00 3.44 C ATOM 687 OG1 THR A 47 -28.132 62.491 -17.388 1.00 34.11 O ATOM 688 CG2 THR A 47 -29.063 64.287 -18.707 1.00 4.12 C ATOM 0 H THR A 47 -27.863 60.524 -19.597 1.00 74.02 H new ATOM 0 HA THR A 47 -30.333 61.810 -18.718 1.00 22.41 H new ATOM 0 HB THR A 47 -27.560 62.906 -19.332 1.00 3.44 H new ATOM 0 HG1 THR A 47 -27.507 63.138 -17.000 1.00 34.11 H new ATOM 0 HG21 THR A 47 -28.351 64.983 -18.262 1.00 4.12 H new ATOM 0 HG22 THR A 47 -29.286 64.599 -19.727 1.00 4.12 H new ATOM 0 HG23 THR A 47 -29.981 64.283 -18.120 1.00 4.12 H new ATOM 696 N CYS A 48 -31.037 62.934 -20.835 1.00 23.45 N ATOM 697 CA CYS A 48 -31.522 63.437 -22.108 1.00 71.14 C ATOM 698 C CYS A 48 -30.861 64.790 -22.375 1.00 54.44 C ATOM 699 O CYS A 48 -30.810 65.280 -23.502 1.00 45.21 O ATOM 700 CB CYS A 48 -33.049 63.532 -22.135 1.00 32.11 C ATOM 701 SG CYS A 48 -33.563 65.176 -22.751 1.00 11.23 S ATOM 0 H CYS A 48 -31.682 63.057 -20.054 1.00 23.45 H new ATOM 0 HA CYS A 48 -31.253 62.740 -22.902 1.00 71.14 H new ATOM 0 HB2 CYS A 48 -33.459 62.750 -22.775 1.00 32.11 H new ATOM 0 HB3 CYS A 48 -33.450 63.368 -21.135 1.00 32.11 H new ATOM 706 N GLU A 49 -30.352 65.388 -21.302 1.00 3.14 N ATOM 707 CA GLU A 49 -29.690 66.684 -21.392 1.00 53.15 C ATOM 708 C GLU A 49 -28.346 66.560 -22.103 1.00 43.24 C ATOM 709 O GLU A 49 -27.655 65.549 -21.977 1.00 52.14 O ATOM 710 CB GLU A 49 -29.488 67.276 -19.996 1.00 22.21 C ATOM 711 CG GLU A 49 -28.067 67.749 -19.736 1.00 55.44 C ATOM 712 CD GLU A 49 -27.977 68.702 -18.560 1.00 14.52 C ATOM 713 OE1 GLU A 49 -28.055 68.229 -17.406 1.00 1.51 O ATOM 714 OE2 GLU A 49 -27.829 69.920 -18.791 1.00 12.43 O ATOM 0 H GLU A 49 -30.386 64.996 -20.361 1.00 3.14 H new ATOM 0 HA GLU A 49 -30.328 67.350 -21.972 1.00 53.15 H new ATOM 0 HB2 GLU A 49 -30.171 68.115 -19.864 1.00 22.21 H new ATOM 0 HB3 GLU A 49 -29.755 66.527 -19.251 1.00 22.21 H new ATOM 0 HG2 GLU A 49 -27.429 66.885 -19.549 1.00 55.44 H new ATOM 0 HG3 GLU A 49 -27.683 68.242 -20.629 1.00 55.44 H new ATOM 721 N GLY A 50 -27.982 67.596 -22.854 1.00 33.52 N ATOM 722 CA GLY A 50 -26.723 67.583 -23.574 1.00 42.43 C ATOM 723 C GLY A 50 -25.732 68.592 -23.028 1.00 61.44 C ATOM 724 O GLY A 50 -25.254 68.457 -21.902 1.00 40.05 O ATOM 0 H GLY A 50 -28.537 68.443 -22.976 1.00 33.52 H new ATOM 0 HA2 GLY A 50 -26.288 66.585 -23.520 1.00 42.43 H new ATOM 0 HA3 GLY A 50 -26.908 67.794 -24.627 1.00 42.43 H new ATOM 728 N GLY A 51 -25.420 69.606 -23.830 1.00 15.42 N ATOM 729 CA GLY A 51 -24.479 70.626 -23.404 1.00 31.12 C ATOM 730 C GLY A 51 -24.533 71.865 -24.275 1.00 12.10 C ATOM 731 O GLY A 51 -23.571 72.628 -24.340 1.00 3.14 O ATOM 0 H GLY A 51 -25.802 69.739 -24.766 1.00 15.42 H new ATOM 0 HA2 GLY A 51 -24.691 70.902 -22.371 1.00 31.12 H new ATOM 0 HA3 GLY A 51 -23.469 70.216 -23.424 1.00 31.12 H new ATOM 735 N ASN A 52 -25.662 72.065 -24.945 1.00 42.24 N ATOM 736 CA ASN A 52 -25.837 73.220 -25.819 1.00 14.32 C ATOM 737 C ASN A 52 -26.956 74.124 -25.310 1.00 0.32 C ATOM 738 O ASN A 52 -26.862 75.349 -25.384 1.00 5.11 O ATOM 739 CB ASN A 52 -26.146 72.765 -27.246 1.00 45.24 C ATOM 740 CG ASN A 52 -24.889 72.542 -28.067 1.00 54.23 C ATOM 741 OD1 ASN A 52 -24.246 71.497 -27.966 1.00 55.33 O ATOM 742 ND2 ASN A 52 -24.535 73.527 -28.884 1.00 71.54 N ATOM 0 H ASN A 52 -26.469 71.443 -24.900 1.00 42.24 H new ATOM 0 HA ASN A 52 -24.906 73.787 -25.818 1.00 14.32 H new ATOM 0 HB2 ASN A 52 -26.724 71.841 -27.213 1.00 45.24 H new ATOM 0 HB3 ASN A 52 -26.769 73.513 -27.736 1.00 45.24 H new ATOM 0 HD21 ASN A 52 -23.699 73.435 -29.461 1.00 71.54 H new ATOM 0 HD22 ASN A 52 -25.099 74.375 -28.934 1.00 71.54 H new ATOM 749 N GLY A 53 -28.014 73.510 -24.789 1.00 71.24 N ATOM 750 CA GLY A 53 -29.135 74.274 -24.273 1.00 62.42 C ATOM 751 C GLY A 53 -30.261 73.389 -23.779 1.00 22.41 C ATOM 752 O GLY A 53 -30.888 73.680 -22.758 1.00 63.23 O ATOM 0 H GLY A 53 -28.115 72.498 -24.715 1.00 71.24 H new ATOM 0 HA2 GLY A 53 -28.792 74.910 -23.457 1.00 62.42 H new ATOM 0 HA3 GLY A 53 -29.512 74.934 -25.055 1.00 62.42 H new ATOM 756 N LEU A 54 -30.522 72.305 -24.503 1.00 23.23 N ATOM 757 CA LEU A 54 -31.581 71.374 -24.132 1.00 74.44 C ATOM 758 C LEU A 54 -31.322 70.771 -22.755 1.00 11.32 C ATOM 759 O LEU A 54 -30.254 70.963 -22.174 1.00 14.10 O ATOM 760 CB LEU A 54 -31.696 70.260 -25.175 1.00 10.24 C ATOM 761 CG LEU A 54 -33.092 70.021 -25.751 1.00 33.40 C ATOM 762 CD1 LEU A 54 -33.013 69.727 -27.241 1.00 73.02 C ATOM 763 CD2 LEU A 54 -33.784 68.882 -25.016 1.00 33.53 C ATOM 0 H LEU A 54 -30.014 72.050 -25.350 1.00 23.23 H new ATOM 0 HA LEU A 54 -32.519 71.928 -24.094 1.00 74.44 H new ATOM 0 HB2 LEU A 54 -31.020 70.489 -25.998 1.00 10.24 H new ATOM 0 HB3 LEU A 54 -31.347 69.331 -24.725 1.00 10.24 H new ATOM 0 HG LEU A 54 -33.681 70.928 -25.612 1.00 33.40 H new ATOM 0 HD11 LEU A 54 -34.016 69.560 -27.633 1.00 73.02 H new ATOM 0 HD12 LEU A 54 -32.559 70.574 -27.755 1.00 73.02 H new ATOM 0 HD13 LEU A 54 -32.407 68.836 -27.404 1.00 73.02 H new ATOM 0 HD21 LEU A 54 -34.776 68.726 -25.439 1.00 33.53 H new ATOM 0 HD22 LEU A 54 -33.196 67.970 -25.122 1.00 33.53 H new ATOM 0 HD23 LEU A 54 -33.876 69.133 -23.959 1.00 33.53 H new ATOM 775 N GLY A 55 -32.304 70.039 -22.240 1.00 65.13 N ATOM 776 CA GLY A 55 -32.161 69.417 -20.936 1.00 24.23 C ATOM 777 C GLY A 55 -33.487 69.264 -20.217 1.00 63.25 C ATOM 778 O GLY A 55 -34.175 70.263 -20.013 1.00 30.24 O ATOM 0 H GLY A 55 -33.197 69.865 -22.702 1.00 65.13 H new ATOM 0 HA2 GLY A 55 -31.700 68.436 -21.053 1.00 24.23 H new ATOM 0 HA3 GLY A 55 -31.486 70.015 -20.324 1.00 24.23 H new ATOM 782 N CYS A 56 -33.821 68.034 -19.855 1.00 31.14 N ATOM 783 CA CYS A 56 -35.071 67.773 -19.162 1.00 0.24 C ATOM 784 C CYS A 56 -34.796 67.778 -17.657 1.00 44.04 C ATOM 785 O CYS A 56 -35.425 68.494 -16.880 1.00 15.21 O ATOM 786 CB CYS A 56 -35.707 66.460 -19.621 1.00 74.33 C ATOM 787 SG CYS A 56 -36.634 66.724 -21.178 1.00 50.02 S ATOM 0 H CYS A 56 -33.248 67.208 -20.028 1.00 31.14 H new ATOM 0 HA CYS A 56 -35.793 68.554 -19.401 1.00 0.24 H new ATOM 0 HB2 CYS A 56 -34.935 65.705 -19.771 1.00 74.33 H new ATOM 0 HB3 CYS A 56 -36.377 66.081 -18.849 1.00 74.33 H new ATOM 792 N GLY A 57 -33.830 66.953 -17.259 1.00 53.25 N ATOM 793 CA GLY A 57 -33.467 66.859 -15.858 1.00 32.30 C ATOM 794 C GLY A 57 -33.736 65.482 -15.281 1.00 31.14 C ATOM 795 O GLY A 57 -33.343 65.187 -14.152 1.00 21.51 O ATOM 0 H GLY A 57 -33.294 66.349 -17.882 1.00 53.25 H new ATOM 0 HA2 GLY A 57 -32.410 67.098 -15.743 1.00 32.30 H new ATOM 0 HA3 GLY A 57 -34.026 67.603 -15.290 1.00 32.30 H new ATOM 799 N PHE A 58 -34.410 64.639 -16.057 1.00 13.43 N ATOM 800 CA PHE A 58 -34.733 63.287 -15.614 1.00 53.02 C ATOM 801 C PHE A 58 -34.141 62.248 -16.563 1.00 55.41 C ATOM 802 O PHE A 58 -34.485 62.203 -17.742 1.00 45.22 O ATOM 803 CB PHE A 58 -36.250 63.107 -15.527 1.00 34.33 C ATOM 804 CG PHE A 58 -36.664 61.786 -14.942 1.00 72.12 C ATOM 805 CD1 PHE A 58 -36.804 60.670 -15.751 1.00 62.33 C ATOM 806 CD2 PHE A 58 -36.913 61.661 -13.585 1.00 54.21 C ATOM 807 CE1 PHE A 58 -37.184 59.454 -15.218 1.00 23.31 C ATOM 808 CE2 PHE A 58 -37.293 60.447 -13.046 1.00 25.35 C ATOM 809 CZ PHE A 58 -37.430 59.341 -13.863 1.00 43.42 C ATOM 0 H PHE A 58 -34.743 64.867 -16.994 1.00 13.43 H new ATOM 0 HA PHE A 58 -34.298 63.141 -14.625 1.00 53.02 H new ATOM 0 HB2 PHE A 58 -36.669 63.911 -14.922 1.00 34.33 H new ATOM 0 HB3 PHE A 58 -36.677 63.203 -16.525 1.00 34.33 H new ATOM 0 HD1 PHE A 58 -36.614 60.752 -16.811 1.00 62.33 H new ATOM 0 HD2 PHE A 58 -36.809 62.522 -12.941 1.00 54.21 H new ATOM 0 HE1 PHE A 58 -37.289 58.592 -15.860 1.00 23.31 H new ATOM 0 HE2 PHE A 58 -37.483 60.362 -11.986 1.00 25.35 H new ATOM 0 HZ PHE A 58 -37.728 58.391 -13.444 1.00 43.42 H new ATOM 819 N ALA A 59 -33.249 61.417 -16.036 1.00 63.01 N ATOM 820 CA ALA A 59 -32.609 60.379 -16.833 1.00 2.14 C ATOM 821 C ALA A 59 -33.585 59.252 -17.153 1.00 74.42 C ATOM 822 O ALA A 59 -34.577 59.057 -16.448 1.00 40.52 O ATOM 823 CB ALA A 59 -31.389 59.832 -16.107 1.00 21.22 C ATOM 0 H ALA A 59 -32.953 61.442 -15.060 1.00 63.01 H new ATOM 0 HA ALA A 59 -32.288 60.825 -17.774 1.00 2.14 H new ATOM 0 HB1 ALA A 59 -30.921 59.057 -16.714 1.00 21.22 H new ATOM 0 HB2 ALA A 59 -30.676 60.638 -15.935 1.00 21.22 H new ATOM 0 HB3 ALA A 59 -31.695 59.408 -15.151 1.00 21.22 H new ATOM 829 N PHE A 60 -33.301 58.512 -18.220 1.00 12.12 N ATOM 830 CA PHE A 60 -34.155 57.406 -18.634 1.00 34.42 C ATOM 831 C PHE A 60 -33.343 56.125 -18.802 1.00 21.45 C ATOM 832 O PHE A 60 -32.129 56.151 -18.608 1.00 61.33 O ATOM 833 CB PHE A 60 -34.870 57.746 -19.942 1.00 10.52 C ATOM 834 CG PHE A 60 -33.966 58.350 -20.979 1.00 72.14 C ATOM 835 CD1 PHE A 60 -33.429 59.615 -20.797 1.00 23.50 C ATOM 836 CD2 PHE A 60 -33.653 57.654 -22.135 1.00 74.41 C ATOM 837 CE1 PHE A 60 -32.596 60.172 -21.749 1.00 11.10 C ATOM 838 CE2 PHE A 60 -32.822 58.206 -23.090 1.00 31.03 C ATOM 839 CZ PHE A 60 -32.294 59.468 -22.898 1.00 42.23 C ATOM 0 H PHE A 60 -32.485 58.659 -18.814 1.00 12.12 H new ATOM 0 HA PHE A 60 -34.899 57.244 -17.854 1.00 34.42 H new ATOM 0 HB2 PHE A 60 -35.320 56.840 -20.347 1.00 10.52 H new ATOM 0 HB3 PHE A 60 -35.684 58.440 -19.732 1.00 10.52 H new ATOM 0 HD1 PHE A 60 -33.664 60.171 -19.902 1.00 23.50 H new ATOM 0 HD2 PHE A 60 -34.064 56.668 -22.291 1.00 74.41 H new ATOM 0 HE1 PHE A 60 -32.182 61.157 -21.594 1.00 11.10 H new ATOM 0 HE2 PHE A 60 -32.585 57.652 -23.986 1.00 31.03 H new ATOM 0 HZ PHE A 60 -31.646 59.903 -23.645 1.00 42.23 H new ATOM 849 N CYS A 61 -34.023 55.044 -19.157 1.00 55.11 N ATOM 850 CA CYS A 61 -33.355 53.769 -19.347 1.00 63.33 C ATOM 851 C CYS A 61 -33.208 53.523 -20.850 1.00 20.43 C ATOM 852 O CYS A 61 -34.185 53.428 -21.595 1.00 5.44 O ATOM 853 CB CYS A 61 -34.104 52.629 -18.653 1.00 31.12 C ATOM 854 SG CYS A 61 -33.634 51.025 -19.400 1.00 61.41 S ATOM 0 H CYS A 61 -35.030 55.026 -19.318 1.00 55.11 H new ATOM 0 HA CYS A 61 -32.368 53.801 -18.887 1.00 63.33 H new ATOM 0 HB2 CYS A 61 -33.872 52.626 -17.588 1.00 31.12 H new ATOM 0 HB3 CYS A 61 -35.180 52.781 -18.744 1.00 31.12 H new ATOM 859 N ARG A 62 -31.955 53.421 -21.282 1.00 62.52 N ATOM 860 CA ARG A 62 -31.649 53.187 -22.688 1.00 25.15 C ATOM 861 C ARG A 62 -32.157 51.820 -23.136 1.00 63.44 C ATOM 862 O ARG A 62 -32.771 51.693 -24.196 1.00 31.44 O ATOM 863 CB ARG A 62 -30.142 53.285 -22.927 1.00 2.44 C ATOM 864 CG ARG A 62 -29.650 52.427 -24.081 1.00 23.43 C ATOM 865 CD ARG A 62 -28.132 52.423 -24.166 1.00 4.35 C ATOM 866 NE ARG A 62 -27.600 51.083 -24.403 1.00 44.14 N ATOM 867 CZ ARG A 62 -26.416 50.851 -24.960 1.00 12.35 C ATOM 868 NH1 ARG A 62 -25.645 51.863 -25.332 1.00 23.11 N ATOM 869 NH2 ARG A 62 -26.001 49.604 -25.142 1.00 44.13 N ATOM 0 H ARG A 62 -31.136 53.497 -20.679 1.00 62.52 H new ATOM 0 HA ARG A 62 -32.154 53.954 -23.275 1.00 25.15 H new ATOM 0 HB2 ARG A 62 -29.881 54.325 -23.122 1.00 2.44 H new ATOM 0 HB3 ARG A 62 -29.619 52.990 -22.017 1.00 2.44 H new ATOM 0 HG2 ARG A 62 -30.011 51.406 -23.956 1.00 23.43 H new ATOM 0 HG3 ARG A 62 -30.067 52.800 -25.016 1.00 23.43 H new ATOM 0 HD2 ARG A 62 -27.812 53.087 -24.969 1.00 4.35 H new ATOM 0 HD3 ARG A 62 -27.716 52.819 -23.240 1.00 4.35 H new ATOM 0 HE ARG A 62 -28.168 50.282 -24.126 1.00 44.14 H new ATOM 0 HH11 ARG A 62 -25.960 52.823 -25.191 1.00 23.11 H new ATOM 0 HH12 ARG A 62 -24.737 51.682 -25.759 1.00 23.11 H new ATOM 0 HH21 ARG A 62 -26.591 48.823 -24.854 1.00 44.13 H new ATOM 0 HH22 ARG A 62 -25.092 49.426 -25.570 1.00 44.13 H new ATOM 883 N GLU A 63 -31.898 50.801 -22.323 1.00 54.21 N ATOM 884 CA GLU A 63 -32.328 49.445 -22.637 1.00 33.53 C ATOM 885 C GLU A 63 -33.709 49.448 -23.289 1.00 1.15 C ATOM 886 O GLU A 63 -33.894 48.790 -24.310 1.00 33.43 O ATOM 887 CB GLU A 63 -32.353 48.588 -21.370 1.00 31.13 C ATOM 888 CG GLU A 63 -32.454 47.097 -21.645 1.00 1.35 C ATOM 889 CD GLU A 63 -31.134 46.494 -22.087 1.00 60.12 C ATOM 890 OE1 GLU A 63 -30.269 47.253 -22.571 1.00 53.00 O ATOM 891 OE2 GLU A 63 -30.967 45.265 -21.949 1.00 62.42 O ATOM 0 H GLU A 63 -31.392 50.890 -21.442 1.00 54.21 H new ATOM 0 HA GLU A 63 -31.614 49.019 -23.342 1.00 33.53 H new ATOM 0 HB2 GLU A 63 -31.449 48.782 -20.793 1.00 31.13 H new ATOM 0 HB3 GLU A 63 -33.198 48.893 -20.752 1.00 31.13 H new ATOM 0 HG2 GLU A 63 -32.798 46.588 -20.745 1.00 1.35 H new ATOM 0 HG3 GLU A 63 -33.205 46.924 -22.416 1.00 1.35 H new ATOM 898 N CYS A 64 -34.634 50.183 -22.688 1.00 60.23 N ATOM 899 CA CYS A 64 -35.985 50.262 -23.218 1.00 64.05 C ATOM 900 C CYS A 64 -36.239 51.701 -23.672 1.00 42.22 C ATOM 901 O CYS A 64 -37.330 52.063 -24.116 1.00 42.21 O ATOM 902 CB CYS A 64 -37.023 49.793 -22.196 1.00 52.11 C ATOM 903 SG CYS A 64 -36.963 50.861 -20.711 1.00 12.32 S ATOM 0 H CYS A 64 -34.475 50.728 -21.841 1.00 60.23 H new ATOM 0 HA CYS A 64 -36.084 49.590 -24.071 1.00 64.05 H new ATOM 0 HB2 CYS A 64 -38.019 49.824 -22.637 1.00 52.11 H new ATOM 0 HB3 CYS A 64 -36.830 48.757 -21.918 1.00 52.11 H new ATOM 908 N LYS A 65 -35.201 52.520 -23.550 1.00 42.13 N ATOM 909 CA LYS A 65 -35.282 53.922 -23.940 1.00 54.13 C ATOM 910 C LYS A 65 -36.563 54.561 -23.413 1.00 22.53 C ATOM 911 O LYS A 65 -37.179 55.386 -24.086 1.00 65.43 O ATOM 912 CB LYS A 65 -35.224 54.053 -25.464 1.00 15.10 C ATOM 913 CG LYS A 65 -35.880 52.898 -26.200 1.00 52.31 C ATOM 914 CD LYS A 65 -35.621 52.969 -27.694 1.00 40.32 C ATOM 915 CE LYS A 65 -36.479 54.036 -28.358 1.00 44.14 C ATOM 916 NZ LYS A 65 -37.628 53.443 -29.097 1.00 1.21 N ATOM 0 H LYS A 65 -34.292 52.237 -23.184 1.00 42.13 H new ATOM 0 HA LYS A 65 -34.430 54.444 -23.503 1.00 54.13 H new ATOM 0 HB2 LYS A 65 -35.710 54.983 -25.759 1.00 15.10 H new ATOM 0 HB3 LYS A 65 -34.182 54.125 -25.774 1.00 15.10 H new ATOM 0 HG2 LYS A 65 -35.501 51.954 -25.809 1.00 52.31 H new ATOM 0 HG3 LYS A 65 -36.954 52.911 -26.015 1.00 52.31 H new ATOM 0 HD2 LYS A 65 -34.568 53.185 -27.872 1.00 40.32 H new ATOM 0 HD3 LYS A 65 -35.829 52.000 -28.147 1.00 40.32 H new ATOM 0 HE2 LYS A 65 -36.851 54.726 -27.601 1.00 44.14 H new ATOM 0 HE3 LYS A 65 -35.866 54.618 -29.046 1.00 44.14 H new ATOM 0 HZ1 LYS A 65 -38.188 54.202 -29.535 1.00 1.21 H new ATOM 0 HZ2 LYS A 65 -37.273 52.804 -29.837 1.00 1.21 H new ATOM 0 HZ3 LYS A 65 -38.227 52.908 -28.436 1.00 1.21 H new ATOM 930 N GLU A 66 -36.958 54.174 -22.203 1.00 23.20 N ATOM 931 CA GLU A 66 -38.166 54.709 -21.587 1.00 41.43 C ATOM 932 C GLU A 66 -37.860 55.303 -20.216 1.00 33.05 C ATOM 933 O GLU A 66 -36.719 55.270 -19.754 1.00 62.23 O ATOM 934 CB GLU A 66 -39.226 53.614 -21.457 1.00 53.31 C ATOM 935 CG GLU A 66 -39.342 53.044 -20.054 1.00 75.41 C ATOM 936 CD GLU A 66 -40.199 51.794 -20.000 1.00 2.43 C ATOM 937 OE1 GLU A 66 -41.429 51.909 -20.171 1.00 34.41 O ATOM 938 OE2 GLU A 66 -39.635 50.699 -19.789 1.00 4.54 O ATOM 0 H GLU A 66 -36.459 53.493 -21.631 1.00 23.20 H new ATOM 0 HA GLU A 66 -38.550 55.502 -22.229 1.00 41.43 H new ATOM 0 HB2 GLU A 66 -40.193 54.018 -21.757 1.00 53.31 H new ATOM 0 HB3 GLU A 66 -38.989 52.807 -22.150 1.00 53.31 H new ATOM 0 HG2 GLU A 66 -38.346 52.813 -19.676 1.00 75.41 H new ATOM 0 HG3 GLU A 66 -39.767 53.800 -19.393 1.00 75.41 H new ATOM 945 N ALA A 67 -38.886 55.846 -19.569 1.00 11.10 N ATOM 946 CA ALA A 67 -38.727 56.444 -18.250 1.00 54.33 C ATOM 947 C ALA A 67 -38.038 55.483 -17.288 1.00 65.54 C ATOM 948 O ALA A 67 -38.385 54.304 -17.219 1.00 64.54 O ATOM 949 CB ALA A 67 -40.079 56.867 -17.696 1.00 73.44 C ATOM 0 H ALA A 67 -39.836 55.884 -19.937 1.00 11.10 H new ATOM 0 HA ALA A 67 -38.095 57.326 -18.354 1.00 54.33 H new ATOM 0 HB1 ALA A 67 -39.945 57.312 -16.710 1.00 73.44 H new ATOM 0 HB2 ALA A 67 -40.534 57.597 -18.365 1.00 73.44 H new ATOM 0 HB3 ALA A 67 -40.728 55.995 -17.615 1.00 73.44 H new ATOM 955 N TYR A 68 -37.059 55.991 -16.549 1.00 51.43 N ATOM 956 CA TYR A 68 -36.318 55.176 -15.593 1.00 63.14 C ATOM 957 C TYR A 68 -37.268 54.437 -14.657 1.00 54.32 C ATOM 958 O TYR A 68 -38.140 55.044 -14.032 1.00 71.23 O ATOM 959 CB TYR A 68 -35.360 56.048 -14.783 1.00 4.12 C ATOM 960 CG TYR A 68 -34.087 55.338 -14.381 1.00 11.14 C ATOM 961 CD1 TYR A 68 -33.032 55.203 -15.276 1.00 0.05 C ATOM 962 CD2 TYR A 68 -33.939 54.799 -13.109 1.00 53.40 C ATOM 963 CE1 TYR A 68 -31.866 54.553 -14.914 1.00 71.23 C ATOM 964 CE2 TYR A 68 -32.777 54.150 -12.738 1.00 55.14 C ATOM 965 CZ TYR A 68 -31.745 54.029 -13.644 1.00 52.31 C ATOM 966 OH TYR A 68 -30.587 53.381 -13.279 1.00 40.42 O ATOM 0 H TYR A 68 -36.759 56.965 -16.593 1.00 51.43 H new ATOM 0 HA TYR A 68 -35.742 54.439 -16.152 1.00 63.14 H new ATOM 0 HB2 TYR A 68 -35.104 56.932 -15.368 1.00 4.12 H new ATOM 0 HB3 TYR A 68 -35.870 56.397 -13.885 1.00 4.12 H new ATOM 0 HD1 TYR A 68 -33.124 55.613 -16.271 1.00 0.05 H new ATOM 0 HD2 TYR A 68 -34.747 54.889 -12.398 1.00 53.40 H new ATOM 0 HE1 TYR A 68 -31.056 54.456 -15.621 1.00 71.23 H new ATOM 0 HE2 TYR A 68 -32.678 53.740 -11.744 1.00 55.14 H new ATOM 0 HH TYR A 68 -29.934 53.444 -14.007 1.00 40.42 H new ATOM 976 N HIS A 69 -37.093 53.122 -14.563 1.00 15.54 N ATOM 977 CA HIS A 69 -37.933 52.300 -13.700 1.00 73.41 C ATOM 978 C HIS A 69 -37.100 51.627 -12.611 1.00 43.12 C ATOM 979 O HIS A 69 -37.536 50.654 -11.997 1.00 42.55 O ATOM 980 CB HIS A 69 -38.666 51.242 -14.524 1.00 42.32 C ATOM 981 CG HIS A 69 -37.858 50.711 -15.669 1.00 62.11 C ATOM 982 ND1 HIS A 69 -36.527 50.497 -15.790 1.00 21.03 N flip ATOM 983 CD2 HIS A 69 -38.416 50.332 -16.872 1.00 34.23 C flip ATOM 984 CE1 HIS A 69 -36.306 49.997 -17.049 1.00 41.12 C flip ATOM 985 NE2 HIS A 69 -37.463 49.906 -17.682 1.00 32.22 N flip ATOM 0 H HIS A 69 -36.378 52.604 -15.073 1.00 15.54 H new ATOM 0 HA HIS A 69 -38.666 52.950 -13.223 1.00 73.41 H new ATOM 0 HB2 HIS A 69 -38.945 50.414 -13.872 1.00 42.32 H new ATOM 0 HB3 HIS A 69 -39.591 51.670 -14.910 1.00 42.32 H new ATOM 0 HD2 HIS A 69 -39.468 50.376 -17.114 1.00 34.23 H new ATOM 0 HE1 HIS A 69 -35.344 49.723 -17.456 1.00 41.12 H new ATOM 0 HE2 HIS A 69 -37.597 49.565 -18.634 1.00 32.22 H new ATOM 993 N GLU A 70 -35.901 52.153 -12.381 1.00 30.34 N ATOM 994 CA GLU A 70 -35.008 51.600 -11.369 1.00 53.41 C ATOM 995 C GLU A 70 -34.513 50.216 -11.777 1.00 52.24 C ATOM 996 O GLU A 70 -34.546 49.275 -10.985 1.00 12.13 O ATOM 997 CB GLU A 70 -35.721 51.521 -10.017 1.00 10.31 C ATOM 998 CG GLU A 70 -36.072 52.880 -9.433 1.00 2.53 C ATOM 999 CD GLU A 70 -36.184 52.854 -7.922 1.00 34.10 C ATOM 1000 OE1 GLU A 70 -37.261 52.477 -7.413 1.00 42.21 O ATOM 1001 OE2 GLU A 70 -35.196 53.209 -7.246 1.00 75.43 O ATOM 0 H GLU A 70 -35.526 52.960 -12.880 1.00 30.34 H new ATOM 0 HA GLU A 70 -34.147 52.262 -11.280 1.00 53.41 H new ATOM 0 HB2 GLU A 70 -36.634 50.937 -10.131 1.00 10.31 H new ATOM 0 HB3 GLU A 70 -35.086 50.985 -9.312 1.00 10.31 H new ATOM 0 HG2 GLU A 70 -35.311 53.604 -9.725 1.00 2.53 H new ATOM 0 HG3 GLU A 70 -37.016 53.221 -9.858 1.00 2.53 H new ATOM 1008 N GLY A 71 -34.053 50.101 -13.019 1.00 65.02 N ATOM 1009 CA GLY A 71 -33.558 48.829 -13.511 1.00 64.42 C ATOM 1010 C GLY A 71 -34.646 47.778 -13.601 1.00 23.21 C ATOM 1011 O GLY A 71 -34.908 47.063 -12.633 1.00 45.40 O ATOM 0 H GLY A 71 -34.014 50.866 -13.693 1.00 65.02 H new ATOM 0 HA2 GLY A 71 -33.113 48.972 -14.496 1.00 64.42 H new ATOM 0 HA3 GLY A 71 -32.766 48.472 -12.853 1.00 64.42 H new ATOM 1015 N GLU A 72 -35.283 47.686 -14.763 1.00 25.42 N ATOM 1016 CA GLU A 72 -36.351 46.715 -14.972 1.00 43.14 C ATOM 1017 C GLU A 72 -37.255 47.141 -16.127 1.00 62.13 C ATOM 1018 O GLU A 72 -38.033 48.081 -15.967 1.00 60.41 O ATOM 1019 CB GLU A 72 -37.179 46.550 -13.697 1.00 22.23 C ATOM 1020 CG GLU A 72 -36.822 45.310 -12.895 1.00 53.13 C ATOM 1021 CD GLU A 72 -37.098 45.473 -11.413 1.00 64.45 C ATOM 1022 OE1 GLU A 72 -37.454 46.595 -10.998 1.00 33.24 O ATOM 1023 OE2 GLU A 72 -36.957 44.480 -10.669 1.00 44.13 O ATOM 0 H GLU A 72 -35.079 48.271 -15.573 1.00 25.42 H new ATOM 0 HA GLU A 72 -35.893 45.759 -15.224 1.00 43.14 H new ATOM 0 HB2 GLU A 72 -37.042 47.430 -13.069 1.00 22.23 H new ATOM 0 HB3 GLU A 72 -38.235 46.509 -13.963 1.00 22.23 H new ATOM 0 HG2 GLU A 72 -37.390 44.461 -13.275 1.00 53.13 H new ATOM 0 HG3 GLU A 72 -35.767 45.079 -13.041 1.00 53.13 H new ATOM 1030 N CYS A 73 -37.133 46.450 -17.250 1.00 13.12 N ATOM 1031 CA CYS A 73 -37.942 46.767 -18.415 1.00 62.23 C ATOM 1032 C CYS A 73 -39.111 45.782 -18.470 1.00 62.15 C ATOM 1033 O CYS A 73 -40.252 46.140 -18.766 1.00 21.55 O ATOM 1034 CB CYS A 73 -37.114 46.742 -19.702 1.00 72.42 C ATOM 1035 SG CYS A 73 -35.597 47.745 -19.489 1.00 63.32 S ATOM 0 H CYS A 73 -36.486 45.672 -17.379 1.00 13.12 H new ATOM 0 HA CYS A 73 -38.328 47.783 -18.328 1.00 62.23 H new ATOM 0 HB2 CYS A 73 -36.849 45.715 -19.954 1.00 72.42 H new ATOM 0 HB3 CYS A 73 -37.704 47.131 -20.532 1.00 72.42 H new ATOM 1040 N SER A 74 -38.801 44.523 -18.178 1.00 41.32 N ATOM 1041 CA SER A 74 -39.804 43.465 -18.190 1.00 3.50 C ATOM 1042 C SER A 74 -40.925 43.769 -17.202 1.00 73.12 C ATOM 1043 O SER A 74 -42.105 43.704 -17.546 1.00 22.31 O ATOM 1044 CB SER A 74 -39.161 42.120 -17.850 1.00 15.20 C ATOM 1045 OG SER A 74 -39.687 41.083 -18.661 1.00 41.03 O ATOM 0 H SER A 74 -37.862 44.211 -17.930 1.00 41.32 H new ATOM 0 HA SER A 74 -40.230 43.413 -19.192 1.00 3.50 H new ATOM 0 HB2 SER A 74 -38.082 42.184 -17.990 1.00 15.20 H new ATOM 0 HB3 SER A 74 -39.333 41.887 -16.799 1.00 15.20 H new ATOM 0 HG SER A 74 -39.258 40.234 -18.425 1.00 41.03 H new ATOM 1051 N ALA A 75 -40.549 44.102 -15.972 1.00 53.35 N ATOM 1052 CA ALA A 75 -41.522 44.419 -14.934 1.00 74.01 C ATOM 1053 C ALA A 75 -41.664 45.928 -14.757 1.00 25.51 C ATOM 1054 O ALA A 75 -40.701 46.675 -14.920 1.00 15.50 O ATOM 1055 CB ALA A 75 -41.122 43.766 -13.620 1.00 15.34 C ATOM 0 H ALA A 75 -39.577 44.159 -15.670 1.00 53.35 H new ATOM 0 HA ALA A 75 -42.490 44.024 -15.243 1.00 74.01 H new ATOM 0 HB1 ALA A 75 -41.857 44.011 -12.853 1.00 15.34 H new ATOM 0 HB2 ALA A 75 -41.079 42.685 -13.749 1.00 15.34 H new ATOM 0 HB3 ALA A 75 -40.143 44.134 -13.314 1.00 15.34 H new ATOM 1061 N VAL A 76 -42.873 46.367 -14.422 1.00 34.24 N ATOM 1062 CA VAL A 76 -43.142 47.787 -14.221 1.00 65.11 C ATOM 1063 C VAL A 76 -43.536 48.072 -12.776 1.00 11.30 C ATOM 1064 O VAL A 76 -44.212 47.268 -12.135 1.00 50.20 O ATOM 1065 CB VAL A 76 -44.260 48.284 -15.156 1.00 73.51 C ATOM 1066 CG1 VAL A 76 -44.916 49.533 -14.586 1.00 64.31 C ATOM 1067 CG2 VAL A 76 -43.713 48.548 -16.550 1.00 4.33 C ATOM 0 H VAL A 76 -43.682 45.761 -14.284 1.00 34.24 H new ATOM 0 HA VAL A 76 -42.221 48.321 -14.455 1.00 65.11 H new ATOM 0 HB VAL A 76 -45.019 47.505 -15.231 1.00 73.51 H new ATOM 0 HG11 VAL A 76 -45.704 49.870 -15.260 1.00 64.31 H new ATOM 0 HG12 VAL A 76 -45.346 49.305 -13.611 1.00 64.31 H new ATOM 0 HG13 VAL A 76 -44.169 50.320 -14.479 1.00 64.31 H new ATOM 0 HG21 VAL A 76 -44.518 48.898 -17.196 1.00 4.33 H new ATOM 0 HG22 VAL A 76 -42.933 49.308 -16.497 1.00 4.33 H new ATOM 0 HG23 VAL A 76 -43.295 47.627 -16.957 1.00 4.33 H new ATOM 1077 N PHE A 77 -43.111 49.224 -12.269 1.00 4.42 N ATOM 1078 CA PHE A 77 -43.418 49.619 -10.900 1.00 2.14 C ATOM 1079 C PHE A 77 -44.554 50.637 -10.868 1.00 5.53 C ATOM 1080 O PHE A 77 -44.677 51.470 -11.765 1.00 74.55 O ATOM 1081 CB PHE A 77 -42.175 50.201 -10.223 1.00 32.31 C ATOM 1082 CG PHE A 77 -41.477 49.231 -9.314 1.00 1.25 C ATOM 1083 CD1 PHE A 77 -42.092 48.779 -8.157 1.00 20.03 C ATOM 1084 CD2 PHE A 77 -40.205 48.770 -9.616 1.00 71.34 C ATOM 1085 CE1 PHE A 77 -41.451 47.886 -7.318 1.00 44.23 C ATOM 1086 CE2 PHE A 77 -39.560 47.878 -8.781 1.00 72.24 C ATOM 1087 CZ PHE A 77 -40.184 47.434 -7.632 1.00 73.41 C ATOM 0 H PHE A 77 -42.552 49.902 -12.787 1.00 4.42 H new ATOM 0 HA PHE A 77 -43.737 48.730 -10.355 1.00 2.14 H new ATOM 0 HB2 PHE A 77 -41.476 50.535 -10.990 1.00 32.31 H new ATOM 0 HB3 PHE A 77 -42.463 51.082 -9.649 1.00 32.31 H new ATOM 0 HD1 PHE A 77 -43.083 49.128 -7.908 1.00 20.03 H new ATOM 0 HD2 PHE A 77 -39.713 49.112 -10.514 1.00 71.34 H new ATOM 0 HE1 PHE A 77 -41.940 47.542 -6.419 1.00 44.23 H new ATOM 0 HE2 PHE A 77 -38.568 47.528 -9.027 1.00 72.24 H new ATOM 0 HZ PHE A 77 -39.682 46.734 -6.980 1.00 73.41 H new ATOM 1097 N GLU A 78 -45.379 50.561 -9.830 1.00 73.02 N ATOM 1098 CA GLU A 78 -46.507 51.475 -9.683 1.00 13.43 C ATOM 1099 C GLU A 78 -46.090 52.736 -8.931 1.00 2.34 C ATOM 1100 O GLU A 78 -46.931 53.472 -8.419 1.00 53.44 O ATOM 1101 CB GLU A 78 -47.658 50.788 -8.947 1.00 21.23 C ATOM 1102 CG GLU A 78 -48.706 50.196 -9.875 1.00 31.04 C ATOM 1103 CD GLU A 78 -49.887 49.612 -9.124 1.00 70.10 C ATOM 1104 OE1 GLU A 78 -50.164 50.077 -7.998 1.00 30.00 O ATOM 1105 OE2 GLU A 78 -50.534 48.690 -9.662 1.00 21.33 O ATOM 0 H GLU A 78 -45.289 49.877 -9.079 1.00 73.02 H new ATOM 0 HA GLU A 78 -46.842 51.760 -10.680 1.00 13.43 H new ATOM 0 HB2 GLU A 78 -47.254 49.996 -8.317 1.00 21.23 H new ATOM 0 HB3 GLU A 78 -48.137 51.509 -8.285 1.00 21.23 H new ATOM 0 HG2 GLU A 78 -49.060 50.969 -10.557 1.00 31.04 H new ATOM 0 HG3 GLU A 78 -48.248 49.418 -10.485 1.00 31.04 H new ATOM 1112 N ALA A 79 -44.783 52.977 -8.869 1.00 34.43 N ATOM 1113 CA ALA A 79 -44.254 54.147 -8.181 1.00 11.24 C ATOM 1114 C ALA A 79 -43.906 55.254 -9.171 1.00 34.24 C ATOM 1115 O ALA A 79 -44.113 56.435 -8.892 1.00 51.24 O ATOM 1116 CB ALA A 79 -43.031 53.768 -7.359 1.00 53.30 C ATOM 0 H ALA A 79 -44.072 52.377 -9.287 1.00 34.43 H new ATOM 0 HA ALA A 79 -45.026 54.524 -7.510 1.00 11.24 H new ATOM 0 HB1 ALA A 79 -42.646 54.652 -6.850 1.00 53.30 H new ATOM 0 HB2 ALA A 79 -43.308 53.016 -6.620 1.00 53.30 H new ATOM 0 HB3 ALA A 79 -42.261 53.364 -8.017 1.00 53.30 H new ATOM 1122 N SER A 80 -43.375 54.864 -10.325 1.00 54.12 N ATOM 1123 CA SER A 80 -42.995 55.824 -11.354 1.00 60.11 C ATOM 1124 C SER A 80 -42.052 56.882 -10.789 1.00 10.34 C ATOM 1125 O SER A 80 -42.137 58.057 -11.141 1.00 61.20 O ATOM 1126 CB SER A 80 -44.239 56.496 -11.940 1.00 21.11 C ATOM 1127 OG SER A 80 -44.678 55.824 -13.108 1.00 23.21 O ATOM 0 H SER A 80 -43.198 53.890 -10.571 1.00 54.12 H new ATOM 0 HA SER A 80 -42.475 55.283 -12.145 1.00 60.11 H new ATOM 0 HB2 SER A 80 -45.037 56.501 -11.198 1.00 21.11 H new ATOM 0 HB3 SER A 80 -44.017 57.537 -12.177 1.00 21.11 H new ATOM 0 HG SER A 80 -45.475 56.271 -13.463 1.00 23.21 H new TER 1133 SER A 80 HETATM 1134 ZN ZN A 201 -35.809 65.595 -23.008 1.00 53.54 ZN HETATM 1135 ZN ZN A 401 -35.648 49.979 -19.010 1.00 2.01 ZN