USER MOD reduce.3.24.130724 H: found=0, std=0, add=420, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 418 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 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 44 THR OG1 : rot -150:sc= -0.0192 USER MOD Set 2.1: A 18 ASN : amide:sc= -1.74 K(o=-1.6,f=-3.5!) USER MOD Set 2.2: A 24 THR OG1 : rot -160:sc= 0.153 USER MOD Single : A 1 ALA N :NH3+ 145:sc= 0.0202 (180deg=0) USER MOD Single : A 3 TYR OH : rot 114:sc= 0.497 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -0.798 K(o=-0.8,f=-1.3) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ -132:sc= 0 (180deg=-0.452) USER MOD Single : A 33 ASN : amide:sc= -0.222 X(o=-0.22,f=-0.057) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ -152:sc= 0.485 (180deg=0.0899) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= -0.804 K(o=-0.8,f=-3.2!) USER MOD Single : A 41 ASN : amide:sc= -4.97! C(o=-5!,f=-4.8!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot -54:sc= 0.952 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.619 X(o=-0.62,f=-0.55) USER MOD Single : A 50 ASN : amide:sc= -0.0132 K(o=-0.013,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 1.220 1.700 -2.716 1.00 22.51 N ATOM 2 CA ALA A 1 2.016 1.579 -1.501 1.00 2.03 C ATOM 3 C ALA A 1 3.123 0.544 -1.670 1.00 43.21 C ATOM 4 O ALA A 1 2.932 -0.484 -2.319 1.00 63.42 O ATOM 5 CB ALA A 1 1.127 1.215 -0.321 1.00 52.02 C ATOM 0 H1 ALA A 1 0.228 1.886 -2.464 1.00 22.51 H new ATOM 0 H2 ALA A 1 1.584 2.485 -3.293 1.00 22.51 H new ATOM 0 H3 ALA A 1 1.279 0.815 -3.259 1.00 22.51 H new ATOM 0 HA ALA A 1 2.483 2.544 -1.306 1.00 2.03 H new ATOM 0 HB1 ALA A 1 1.735 1.128 0.579 1.00 52.02 H new ATOM 0 HB2 ALA A 1 0.376 1.992 -0.178 1.00 52.02 H new ATOM 0 HB3 ALA A 1 0.632 0.264 -0.518 1.00 52.02 H new ATOM 11 N LYS A 2 4.282 0.823 -1.083 1.00 22.01 N ATOM 12 CA LYS A 2 5.421 -0.084 -1.168 1.00 0.43 C ATOM 13 C LYS A 2 5.932 -0.447 0.223 1.00 40.22 C ATOM 14 O LYS A 2 5.555 0.176 1.216 1.00 74.03 O ATOM 15 CB LYS A 2 6.546 0.554 -1.986 1.00 25.41 C ATOM 16 CG LYS A 2 7.116 1.814 -1.358 1.00 62.03 C ATOM 17 CD LYS A 2 8.595 1.974 -1.671 1.00 74.42 C ATOM 18 CE LYS A 2 8.811 2.786 -2.938 1.00 44.44 C ATOM 19 NZ LYS A 2 9.726 3.939 -2.708 1.00 70.14 N ATOM 0 H LYS A 2 4.457 1.670 -0.543 1.00 22.01 H new ATOM 0 HA LYS A 2 5.091 -0.997 -1.664 1.00 0.43 H new ATOM 0 HB2 LYS A 2 7.348 -0.173 -2.114 1.00 25.41 H new ATOM 0 HB3 LYS A 2 6.170 0.792 -2.981 1.00 25.41 H new ATOM 0 HG2 LYS A 2 6.570 2.683 -1.724 1.00 62.03 H new ATOM 0 HG3 LYS A 2 6.973 1.780 -0.278 1.00 62.03 H new ATOM 0 HD2 LYS A 2 9.094 2.463 -0.835 1.00 74.42 H new ATOM 0 HD3 LYS A 2 9.052 0.991 -1.785 1.00 74.42 H new ATOM 0 HE2 LYS A 2 9.225 2.143 -3.715 1.00 44.44 H new ATOM 0 HE3 LYS A 2 7.851 3.151 -3.304 1.00 44.44 H new ATOM 0 HZ1 LYS A 2 9.848 4.468 -3.595 1.00 70.14 H new ATOM 0 HZ2 LYS A 2 9.320 4.566 -1.984 1.00 70.14 H new ATOM 0 HZ3 LYS A 2 10.650 3.589 -2.383 1.00 70.14 H new ATOM 33 N TYR A 3 6.793 -1.456 0.287 1.00 72.54 N ATOM 34 CA TYR A 3 7.355 -1.903 1.556 1.00 52.22 C ATOM 35 C TYR A 3 8.670 -1.189 1.850 1.00 5.32 C ATOM 36 O TYR A 3 9.377 -0.761 0.937 1.00 65.31 O ATOM 37 CB TYR A 3 7.576 -3.416 1.535 1.00 24.14 C ATOM 38 CG TYR A 3 6.354 -4.201 1.117 1.00 60.51 C ATOM 39 CD1 TYR A 3 6.320 -4.876 -0.098 1.00 10.14 C ATOM 40 CD2 TYR A 3 5.233 -4.268 1.935 1.00 61.41 C ATOM 41 CE1 TYR A 3 5.205 -5.594 -0.485 1.00 22.34 C ATOM 42 CE2 TYR A 3 4.115 -4.985 1.557 1.00 74.53 C ATOM 43 CZ TYR A 3 4.105 -5.646 0.346 1.00 23.41 C ATOM 44 OH TYR A 3 2.993 -6.361 -0.035 1.00 15.41 O ATOM 0 H TYR A 3 7.117 -1.980 -0.526 1.00 72.54 H new ATOM 0 HA TYR A 3 6.645 -1.658 2.346 1.00 52.22 H new ATOM 0 HB2 TYR A 3 8.395 -3.646 0.854 1.00 24.14 H new ATOM 0 HB3 TYR A 3 7.886 -3.743 2.528 1.00 24.14 H new ATOM 0 HD1 TYR A 3 7.180 -4.838 -0.750 1.00 10.14 H new ATOM 0 HD2 TYR A 3 5.236 -3.750 2.883 1.00 61.41 H new ATOM 0 HE1 TYR A 3 5.195 -6.112 -1.433 1.00 22.34 H new ATOM 0 HE2 TYR A 3 3.253 -5.028 2.206 1.00 74.53 H new ATOM 0 HH TYR A 3 2.869 -7.121 0.571 1.00 15.41 H new ATOM 54 N THR A 4 8.994 -1.063 3.134 1.00 70.34 N ATOM 55 CA THR A 4 10.224 -0.401 3.551 1.00 75.42 C ATOM 56 C THR A 4 10.979 -1.240 4.575 1.00 64.21 C ATOM 57 O THR A 4 10.386 -1.784 5.506 1.00 45.23 O ATOM 58 CB THR A 4 9.938 0.988 4.152 1.00 34.42 C ATOM 59 OG1 THR A 4 9.024 1.705 3.315 1.00 43.41 O ATOM 60 CG2 THR A 4 11.224 1.785 4.309 1.00 73.24 C ATOM 0 H THR A 4 8.421 -1.411 3.903 1.00 70.34 H new ATOM 0 HA THR A 4 10.838 -0.283 2.658 1.00 75.42 H new ATOM 0 HB THR A 4 9.494 0.849 5.138 1.00 34.42 H new ATOM 0 HG1 THR A 4 8.846 2.586 3.705 1.00 43.41 H new ATOM 0 HG21 THR A 4 10.997 2.762 4.735 1.00 73.24 H new ATOM 0 HG22 THR A 4 11.905 1.250 4.971 1.00 73.24 H new ATOM 0 HG23 THR A 4 11.693 1.915 3.334 1.00 73.24 H new ATOM 68 N GLY A 5 12.293 -1.341 4.397 1.00 3.31 N ATOM 69 CA GLY A 5 13.109 -2.115 5.314 1.00 11.14 C ATOM 70 C GLY A 5 14.566 -1.698 5.288 1.00 61.43 C ATOM 71 O GLY A 5 14.887 -0.554 4.966 1.00 60.11 O ATOM 0 H GLY A 5 12.807 -0.900 3.634 1.00 3.31 H new ATOM 0 HA2 GLY A 5 12.720 -2.001 6.326 1.00 11.14 H new ATOM 0 HA3 GLY A 5 13.032 -3.172 5.060 1.00 11.14 H new ATOM 75 N LYS A 6 15.452 -2.628 5.628 1.00 31.23 N ATOM 76 CA LYS A 6 16.884 -2.353 5.643 1.00 53.12 C ATOM 77 C LYS A 6 17.675 -3.563 5.158 1.00 65.12 C ATOM 78 O LYS A 6 17.248 -4.706 5.327 1.00 44.41 O ATOM 79 CB LYS A 6 17.335 -1.966 7.053 1.00 23.51 C ATOM 80 CG LYS A 6 16.386 -1.011 7.755 1.00 4.51 C ATOM 81 CD LYS A 6 15.326 -1.758 8.546 1.00 0.01 C ATOM 82 CE LYS A 6 14.999 -1.047 9.850 1.00 14.30 C ATOM 83 NZ LYS A 6 15.963 -1.396 10.930 1.00 73.42 N ATOM 0 H LYS A 6 15.203 -3.580 5.897 1.00 31.23 H new ATOM 0 HA LYS A 6 17.076 -1.521 4.966 1.00 53.12 H new ATOM 0 HB2 LYS A 6 17.437 -2.870 7.653 1.00 23.51 H new ATOM 0 HB3 LYS A 6 18.322 -1.508 6.996 1.00 23.51 H new ATOM 0 HG2 LYS A 6 16.951 -0.362 8.424 1.00 4.51 H new ATOM 0 HG3 LYS A 6 15.905 -0.368 7.018 1.00 4.51 H new ATOM 0 HD2 LYS A 6 14.421 -1.852 7.945 1.00 0.01 H new ATOM 0 HD3 LYS A 6 15.674 -2.769 8.759 1.00 0.01 H new ATOM 0 HE2 LYS A 6 15.010 0.031 9.688 1.00 14.30 H new ATOM 0 HE3 LYS A 6 13.990 -1.312 10.165 1.00 14.30 H new ATOM 0 HZ1 LYS A 6 15.705 -0.891 11.802 1.00 73.42 H new ATOM 0 HZ2 LYS A 6 15.935 -2.421 11.103 1.00 73.42 H new ATOM 0 HZ3 LYS A 6 16.923 -1.120 10.641 1.00 73.42 H new ATOM 97 N CYS A 7 18.832 -3.305 4.556 1.00 74.44 N ATOM 98 CA CYS A 7 19.684 -4.373 4.047 1.00 41.01 C ATOM 99 C CYS A 7 20.829 -4.662 5.013 1.00 4.42 C ATOM 100 O CYS A 7 21.069 -3.904 5.954 1.00 22.32 O ATOM 101 CB CYS A 7 20.244 -3.997 2.674 1.00 55.25 C ATOM 102 SG CYS A 7 19.777 -5.147 1.340 1.00 14.30 S ATOM 0 H CYS A 7 19.201 -2.365 4.409 1.00 74.44 H new ATOM 0 HA CYS A 7 19.077 -5.273 3.950 1.00 41.01 H new ATOM 0 HB2 CYS A 7 19.898 -2.996 2.414 1.00 55.25 H new ATOM 0 HB3 CYS A 7 21.331 -3.952 2.737 1.00 55.25 H new ATOM 107 N THR A 8 21.535 -5.763 4.774 1.00 11.20 N ATOM 108 CA THR A 8 22.654 -6.153 5.622 1.00 0.23 C ATOM 109 C THR A 8 23.904 -6.423 4.793 1.00 23.21 C ATOM 110 O THR A 8 23.902 -7.278 3.907 1.00 14.00 O ATOM 111 CB THR A 8 22.320 -7.408 6.451 1.00 2.51 C ATOM 112 OG1 THR A 8 20.910 -7.652 6.423 1.00 34.20 O ATOM 113 CG2 THR A 8 22.783 -7.244 7.891 1.00 42.01 C ATOM 0 H THR A 8 21.351 -6.401 3.999 1.00 11.20 H new ATOM 0 HA THR A 8 22.843 -5.320 6.299 1.00 0.23 H new ATOM 0 HB THR A 8 22.844 -8.257 6.012 1.00 2.51 H new ATOM 0 HG1 THR A 8 20.706 -8.452 6.951 1.00 34.20 H new ATOM 0 HG21 THR A 8 22.536 -8.142 8.457 1.00 42.01 H new ATOM 0 HG22 THR A 8 23.861 -7.087 7.911 1.00 42.01 H new ATOM 0 HG23 THR A 8 22.283 -6.385 8.338 1.00 42.01 H new ATOM 121 N LYS A 9 24.973 -5.690 5.086 1.00 31.03 N ATOM 122 CA LYS A 9 26.232 -5.851 4.369 1.00 22.54 C ATOM 123 C LYS A 9 26.789 -7.259 4.558 1.00 70.02 C ATOM 124 O LYS A 9 27.665 -7.695 3.812 1.00 64.15 O ATOM 125 CB LYS A 9 27.253 -4.819 4.852 1.00 45.12 C ATOM 126 CG LYS A 9 27.584 -4.935 6.330 1.00 40.22 C ATOM 127 CD LYS A 9 29.078 -5.099 6.556 1.00 74.21 C ATOM 128 CE LYS A 9 29.456 -6.561 6.739 1.00 0.11 C ATOM 129 NZ LYS A 9 30.670 -6.922 5.955 1.00 34.12 N ATOM 0 H LYS A 9 24.992 -4.978 5.816 1.00 31.03 H new ATOM 0 HA LYS A 9 26.040 -5.694 3.308 1.00 22.54 H new ATOM 0 HB2 LYS A 9 28.170 -4.930 4.273 1.00 45.12 H new ATOM 0 HB3 LYS A 9 26.868 -3.819 4.652 1.00 45.12 H new ATOM 0 HG2 LYS A 9 27.231 -4.046 6.854 1.00 40.22 H new ATOM 0 HG3 LYS A 9 27.055 -5.787 6.756 1.00 40.22 H new ATOM 0 HD2 LYS A 9 29.623 -4.684 5.708 1.00 74.21 H new ATOM 0 HD3 LYS A 9 29.379 -4.531 7.437 1.00 74.21 H new ATOM 0 HE2 LYS A 9 29.633 -6.761 7.796 1.00 0.11 H new ATOM 0 HE3 LYS A 9 28.623 -7.193 6.431 1.00 0.11 H new ATOM 0 HZ1 LYS A 9 30.895 -7.926 6.106 1.00 34.12 H new ATOM 0 HZ2 LYS A 9 30.493 -6.755 4.944 1.00 34.12 H new ATOM 0 HZ3 LYS A 9 31.471 -6.337 6.267 1.00 34.12 H new ATOM 143 N SER A 10 26.273 -7.965 5.559 1.00 63.53 N ATOM 144 CA SER A 10 26.721 -9.323 5.846 1.00 31.21 C ATOM 145 C SER A 10 26.740 -10.169 4.576 1.00 4.05 C ATOM 146 O SER A 10 27.785 -10.682 4.174 1.00 73.03 O ATOM 147 CB SER A 10 25.811 -9.972 6.891 1.00 61.31 C ATOM 148 OG SER A 10 26.482 -10.120 8.130 1.00 23.41 O ATOM 0 H SER A 10 25.545 -7.620 6.184 1.00 63.53 H new ATOM 0 HA SER A 10 27.736 -9.269 6.241 1.00 31.21 H new ATOM 0 HB2 SER A 10 24.918 -9.363 7.028 1.00 61.31 H new ATOM 0 HB3 SER A 10 25.480 -10.947 6.534 1.00 61.31 H new ATOM 0 HG SER A 10 25.879 -10.535 8.781 1.00 23.41 H new ATOM 154 N LYS A 11 25.578 -10.310 3.949 1.00 34.34 N ATOM 155 CA LYS A 11 25.458 -11.092 2.725 1.00 63.25 C ATOM 156 C LYS A 11 24.446 -10.462 1.773 1.00 32.33 C ATOM 157 O LYS A 11 24.011 -11.091 0.810 1.00 72.42 O ATOM 158 CB LYS A 11 25.043 -12.529 3.050 1.00 12.44 C ATOM 159 CG LYS A 11 26.041 -13.572 2.579 1.00 74.23 C ATOM 160 CD LYS A 11 25.991 -14.821 3.442 1.00 21.44 C ATOM 161 CE LYS A 11 26.565 -16.027 2.713 1.00 55.52 C ATOM 162 NZ LYS A 11 26.338 -17.291 3.467 1.00 41.34 N ATOM 0 H LYS A 11 24.704 -9.892 4.269 1.00 34.34 H new ATOM 0 HA LYS A 11 26.432 -11.104 2.236 1.00 63.25 H new ATOM 0 HB2 LYS A 11 24.911 -12.625 4.128 1.00 12.44 H new ATOM 0 HB3 LYS A 11 24.075 -12.731 2.591 1.00 12.44 H new ATOM 0 HG2 LYS A 11 25.831 -13.836 1.543 1.00 74.23 H new ATOM 0 HG3 LYS A 11 27.046 -13.152 2.603 1.00 74.23 H new ATOM 0 HD2 LYS A 11 26.550 -14.651 4.362 1.00 21.44 H new ATOM 0 HD3 LYS A 11 24.959 -15.025 3.729 1.00 21.44 H new ATOM 0 HE2 LYS A 11 26.109 -16.106 1.726 1.00 55.52 H new ATOM 0 HE3 LYS A 11 27.634 -15.883 2.559 1.00 55.52 H new ATOM 0 HZ1 LYS A 11 26.744 -18.089 2.937 1.00 41.34 H new ATOM 0 HZ2 LYS A 11 26.795 -17.226 4.399 1.00 41.34 H new ATOM 0 HZ3 LYS A 11 25.317 -17.442 3.592 1.00 41.34 H new ATOM 176 N ASN A 12 24.076 -9.216 2.050 1.00 22.13 N ATOM 177 CA ASN A 12 23.115 -8.501 1.218 1.00 5.11 C ATOM 178 C ASN A 12 21.745 -9.168 1.274 1.00 34.12 C ATOM 179 O ASN A 12 21.589 -10.322 0.876 1.00 13.12 O ATOM 180 CB ASN A 12 23.608 -8.442 -0.229 1.00 55.14 C ATOM 181 CG ASN A 12 22.503 -8.730 -1.228 1.00 21.53 C ATOM 182 OD1 ASN A 12 22.245 -9.885 -1.568 1.00 34.12 O ATOM 183 ND2 ASN A 12 21.846 -7.679 -1.703 1.00 35.04 N ATOM 0 H ASN A 12 24.427 -8.681 2.844 1.00 22.13 H new ATOM 0 HA ASN A 12 23.021 -7.486 1.605 1.00 5.11 H new ATOM 0 HB2 ASN A 12 24.026 -7.455 -0.428 1.00 55.14 H new ATOM 0 HB3 ASN A 12 24.414 -9.163 -0.365 1.00 55.14 H new ATOM 0 HD21 ASN A 12 21.093 -7.811 -2.378 1.00 35.04 H new ATOM 0 HD22 ASN A 12 22.094 -6.740 -1.393 1.00 35.04 H new ATOM 190 N GLU A 13 20.754 -8.433 1.771 1.00 45.24 N ATOM 191 CA GLU A 13 19.397 -8.954 1.879 1.00 51.03 C ATOM 192 C GLU A 13 18.462 -7.915 2.492 1.00 44.14 C ATOM 193 O GLU A 13 18.555 -7.604 3.680 1.00 75.34 O ATOM 194 CB GLU A 13 19.382 -10.230 2.723 1.00 64.11 C ATOM 195 CG GLU A 13 18.693 -11.401 2.044 1.00 73.33 C ATOM 196 CD GLU A 13 18.573 -12.612 2.949 1.00 70.35 C ATOM 197 OE1 GLU A 13 18.292 -13.714 2.431 1.00 40.54 O ATOM 198 OE2 GLU A 13 18.760 -12.459 4.174 1.00 73.14 O ATOM 0 H GLU A 13 20.866 -7.476 2.105 1.00 45.24 H new ATOM 0 HA GLU A 13 19.044 -9.187 0.874 1.00 51.03 H new ATOM 0 HB2 GLU A 13 20.408 -10.511 2.960 1.00 64.11 H new ATOM 0 HB3 GLU A 13 18.882 -10.024 3.669 1.00 64.11 H new ATOM 0 HG2 GLU A 13 17.698 -11.094 1.720 1.00 73.33 H new ATOM 0 HG3 GLU A 13 19.250 -11.675 1.148 1.00 73.33 H new ATOM 205 N CYS A 14 17.563 -7.380 1.672 1.00 20.34 N ATOM 206 CA CYS A 14 16.612 -6.376 2.131 1.00 13.54 C ATOM 207 C CYS A 14 15.369 -7.034 2.724 1.00 52.44 C ATOM 208 O CYS A 14 14.655 -7.767 2.039 1.00 12.03 O ATOM 209 CB CYS A 14 16.213 -5.455 0.976 1.00 3.22 C ATOM 210 SG CYS A 14 15.196 -4.029 1.478 1.00 23.33 S ATOM 0 H CYS A 14 17.474 -7.626 0.686 1.00 20.34 H new ATOM 0 HA CYS A 14 17.094 -5.784 2.909 1.00 13.54 H new ATOM 0 HB2 CYS A 14 17.117 -5.089 0.488 1.00 3.22 H new ATOM 0 HB3 CYS A 14 15.664 -6.036 0.235 1.00 3.22 H new ATOM 215 N LYS A 15 15.116 -6.766 4.000 1.00 30.13 N ATOM 216 CA LYS A 15 13.959 -7.330 4.686 1.00 3.32 C ATOM 217 C LYS A 15 12.719 -6.472 4.456 1.00 2.24 C ATOM 218 O LYS A 15 12.821 -5.268 4.218 1.00 73.12 O ATOM 219 CB LYS A 15 14.238 -7.450 6.186 1.00 5.10 C ATOM 220 CG LYS A 15 13.088 -8.054 6.972 1.00 21.33 C ATOM 221 CD LYS A 15 12.159 -6.981 7.514 1.00 33.44 C ATOM 222 CE LYS A 15 12.529 -6.590 8.937 1.00 73.30 C ATOM 223 NZ LYS A 15 11.606 -7.196 9.937 1.00 60.14 N ATOM 0 H LYS A 15 15.697 -6.161 4.581 1.00 30.13 H new ATOM 0 HA LYS A 15 13.774 -8.323 4.277 1.00 3.32 H new ATOM 0 HB2 LYS A 15 15.128 -8.061 6.334 1.00 5.10 H new ATOM 0 HB3 LYS A 15 14.460 -6.461 6.586 1.00 5.10 H new ATOM 0 HG2 LYS A 15 12.526 -8.734 6.332 1.00 21.33 H new ATOM 0 HG3 LYS A 15 13.482 -8.646 7.798 1.00 21.33 H new ATOM 0 HD2 LYS A 15 12.203 -6.102 6.871 1.00 33.44 H new ATOM 0 HD3 LYS A 15 11.131 -7.343 7.491 1.00 33.44 H new ATOM 0 HE2 LYS A 15 13.551 -6.907 9.147 1.00 73.30 H new ATOM 0 HE3 LYS A 15 12.506 -5.504 9.033 1.00 73.30 H new ATOM 0 HZ1 LYS A 15 11.892 -6.906 10.894 1.00 60.14 H new ATOM 0 HZ2 LYS A 15 10.635 -6.874 9.753 1.00 60.14 H new ATOM 0 HZ3 LYS A 15 11.646 -8.233 9.863 1.00 60.14 H new ATOM 237 N TYR A 16 11.550 -7.098 4.531 1.00 22.11 N ATOM 238 CA TYR A 16 10.290 -6.392 4.330 1.00 5.23 C ATOM 239 C TYR A 16 9.102 -7.309 4.602 1.00 22.22 C ATOM 240 O TYR A 16 9.261 -8.414 5.123 1.00 50.34 O ATOM 241 CB TYR A 16 10.210 -5.844 2.904 1.00 24.23 C ATOM 242 CG TYR A 16 9.952 -6.907 1.861 1.00 75.51 C ATOM 243 CD1 TYR A 16 10.905 -7.878 1.579 1.00 33.52 C ATOM 244 CD2 TYR A 16 8.755 -6.941 1.156 1.00 13.32 C ATOM 245 CE1 TYR A 16 10.673 -8.852 0.626 1.00 1.43 C ATOM 246 CE2 TYR A 16 8.514 -7.911 0.203 1.00 52.22 C ATOM 247 CZ TYR A 16 9.476 -8.864 -0.059 1.00 1.22 C ATOM 248 OH TYR A 16 9.241 -9.831 -1.009 1.00 35.12 O ATOM 0 H TYR A 16 11.449 -8.093 4.730 1.00 22.11 H new ATOM 0 HA TYR A 16 10.252 -5.561 5.034 1.00 5.23 H new ATOM 0 HB2 TYR A 16 9.417 -5.098 2.854 1.00 24.23 H new ATOM 0 HB3 TYR A 16 11.143 -5.333 2.667 1.00 24.23 H new ATOM 0 HD1 TYR A 16 11.843 -7.872 2.114 1.00 33.52 H new ATOM 0 HD2 TYR A 16 8.000 -6.196 1.357 1.00 13.32 H new ATOM 0 HE1 TYR A 16 11.425 -9.599 0.419 1.00 1.43 H new ATOM 0 HE2 TYR A 16 7.577 -7.923 -0.334 1.00 52.22 H new ATOM 0 HH TYR A 16 8.351 -9.699 -1.397 1.00 35.12 H new ATOM 258 N LYS A 17 7.910 -6.844 4.245 1.00 10.55 N ATOM 259 CA LYS A 17 6.693 -7.620 4.448 1.00 72.32 C ATOM 260 C LYS A 17 6.008 -7.916 3.117 1.00 3.20 C ATOM 261 O LYS A 17 6.064 -7.111 2.188 1.00 34.21 O ATOM 262 CB LYS A 17 5.732 -6.869 5.372 1.00 33.31 C ATOM 263 CG LYS A 17 5.389 -5.471 4.887 1.00 21.31 C ATOM 264 CD LYS A 17 4.861 -4.603 6.017 1.00 72.14 C ATOM 265 CE LYS A 17 3.845 -3.589 5.512 1.00 21.41 C ATOM 266 NZ LYS A 17 2.917 -3.151 6.591 1.00 54.24 N ATOM 0 H LYS A 17 7.761 -5.932 3.813 1.00 10.55 H new ATOM 0 HA LYS A 17 6.969 -8.566 4.913 1.00 72.32 H new ATOM 0 HB2 LYS A 17 4.812 -7.446 5.472 1.00 33.31 H new ATOM 0 HB3 LYS A 17 6.175 -6.801 6.366 1.00 33.31 H new ATOM 0 HG2 LYS A 17 6.275 -5.007 4.454 1.00 21.31 H new ATOM 0 HG3 LYS A 17 4.643 -5.532 4.095 1.00 21.31 H new ATOM 0 HD2 LYS A 17 4.400 -5.234 6.777 1.00 72.14 H new ATOM 0 HD3 LYS A 17 5.690 -4.082 6.495 1.00 72.14 H new ATOM 0 HE2 LYS A 17 4.367 -2.722 5.108 1.00 21.41 H new ATOM 0 HE3 LYS A 17 3.271 -4.026 4.694 1.00 21.41 H new ATOM 0 HZ1 LYS A 17 2.240 -2.461 6.208 1.00 54.24 H new ATOM 0 HZ2 LYS A 17 2.400 -3.975 6.960 1.00 54.24 H new ATOM 0 HZ3 LYS A 17 3.462 -2.711 7.360 1.00 54.24 H new ATOM 280 N ASN A 18 5.362 -9.074 3.033 1.00 24.33 N ATOM 281 CA ASN A 18 4.666 -9.475 1.816 1.00 22.00 C ATOM 282 C ASN A 18 3.166 -9.603 2.064 1.00 3.22 C ATOM 283 O ASN A 18 2.378 -8.776 1.605 1.00 1.02 O ATOM 284 CB ASN A 18 5.224 -10.802 1.298 1.00 32.42 C ATOM 285 CG ASN A 18 5.697 -11.707 2.419 1.00 25.23 C ATOM 286 OD1 ASN A 18 4.986 -12.621 2.837 1.00 63.33 O ATOM 287 ND2 ASN A 18 6.904 -11.455 2.913 1.00 65.45 N ATOM 0 H ASN A 18 5.306 -9.751 3.793 1.00 24.33 H new ATOM 0 HA ASN A 18 4.827 -8.703 1.064 1.00 22.00 H new ATOM 0 HB2 ASN A 18 4.456 -11.315 0.720 1.00 32.42 H new ATOM 0 HB3 ASN A 18 6.054 -10.604 0.620 1.00 32.42 H new ATOM 0 HD21 ASN A 18 7.276 -12.030 3.669 1.00 65.45 H new ATOM 0 HD22 ASN A 18 7.459 -10.687 2.536 1.00 65.45 H new ATOM 294 N ASP A 19 2.780 -10.644 2.793 1.00 14.35 N ATOM 295 CA ASP A 19 1.375 -10.879 3.105 1.00 74.53 C ATOM 296 C ASP A 19 0.871 -9.877 4.139 1.00 43.15 C ATOM 297 O ASP A 19 0.141 -8.943 3.808 1.00 62.21 O ATOM 298 CB ASP A 19 1.177 -12.306 3.621 1.00 52.43 C ATOM 299 CG ASP A 19 0.931 -13.298 2.501 1.00 53.52 C ATOM 300 OD1 ASP A 19 0.010 -14.130 2.637 1.00 73.10 O ATOM 301 OD2 ASP A 19 1.659 -13.241 1.488 1.00 55.41 O ATOM 0 H ASP A 19 3.420 -11.338 3.179 1.00 14.35 H new ATOM 0 HA ASP A 19 0.799 -10.748 2.189 1.00 74.53 H new ATOM 0 HB2 ASP A 19 2.058 -12.611 4.185 1.00 52.43 H new ATOM 0 HB3 ASP A 19 0.334 -12.326 4.312 1.00 52.43 H new ATOM 306 N ALA A 20 1.266 -10.078 5.391 1.00 22.15 N ATOM 307 CA ALA A 20 0.856 -9.192 6.473 1.00 0.53 C ATOM 308 C ALA A 20 1.965 -9.040 7.509 1.00 11.01 C ATOM 309 O ALA A 20 1.788 -9.384 8.677 1.00 61.21 O ATOM 310 CB ALA A 20 -0.414 -9.712 7.129 1.00 32.15 C ATOM 0 H ALA A 20 1.870 -10.847 5.681 1.00 22.15 H new ATOM 0 HA ALA A 20 0.655 -8.209 6.047 1.00 0.53 H new ATOM 0 HB1 ALA A 20 -0.708 -9.040 7.935 1.00 32.15 H new ATOM 0 HB2 ALA A 20 -1.212 -9.761 6.388 1.00 32.15 H new ATOM 0 HB3 ALA A 20 -0.233 -10.708 7.534 1.00 32.15 H new ATOM 316 N GLY A 21 3.110 -8.523 7.073 1.00 54.12 N ATOM 317 CA GLY A 21 4.231 -8.336 7.975 1.00 13.11 C ATOM 318 C GLY A 21 5.210 -9.492 7.931 1.00 73.42 C ATOM 319 O GLY A 21 6.155 -9.546 8.718 1.00 60.32 O ATOM 0 H GLY A 21 3.281 -8.230 6.111 1.00 54.12 H new ATOM 0 HA2 GLY A 21 4.751 -7.414 7.717 1.00 13.11 H new ATOM 0 HA3 GLY A 21 3.859 -8.218 8.993 1.00 13.11 H new ATOM 323 N LYS A 22 4.983 -10.422 7.009 1.00 63.10 N ATOM 324 CA LYS A 22 5.852 -11.584 6.864 1.00 31.23 C ATOM 325 C LYS A 22 7.298 -11.157 6.631 1.00 34.42 C ATOM 326 O LYS A 22 7.656 -10.715 5.540 1.00 72.04 O ATOM 327 CB LYS A 22 5.375 -12.462 5.705 1.00 51.00 C ATOM 328 CG LYS A 22 4.627 -13.706 6.152 1.00 70.13 C ATOM 329 CD LYS A 22 5.583 -14.819 6.548 1.00 74.23 C ATOM 330 CE LYS A 22 5.719 -14.925 8.059 1.00 62.21 C ATOM 331 NZ LYS A 22 7.142 -15.049 8.480 1.00 42.51 N ATOM 0 H LYS A 22 4.204 -10.393 6.351 1.00 63.10 H new ATOM 0 HA LYS A 22 5.806 -12.158 7.789 1.00 31.23 H new ATOM 0 HB2 LYS A 22 4.727 -11.872 5.056 1.00 51.00 H new ATOM 0 HB3 LYS A 22 6.237 -12.761 5.108 1.00 51.00 H new ATOM 0 HG2 LYS A 22 3.983 -13.461 6.996 1.00 70.13 H new ATOM 0 HG3 LYS A 22 3.979 -14.051 5.346 1.00 70.13 H new ATOM 0 HD2 LYS A 22 5.226 -15.767 6.146 1.00 74.23 H new ATOM 0 HD3 LYS A 22 6.562 -14.634 6.106 1.00 74.23 H new ATOM 0 HE2 LYS A 22 5.277 -14.045 8.526 1.00 62.21 H new ATOM 0 HE3 LYS A 22 5.158 -15.790 8.414 1.00 62.21 H new ATOM 0 HZ1 LYS A 22 7.193 -15.119 9.516 1.00 42.51 H new ATOM 0 HZ2 LYS A 22 7.557 -15.903 8.055 1.00 42.51 H new ATOM 0 HZ3 LYS A 22 7.672 -14.212 8.163 1.00 42.51 H new ATOM 345 N ASP A 23 8.124 -11.294 7.663 1.00 74.24 N ATOM 346 CA ASP A 23 9.531 -10.925 7.569 1.00 3.01 C ATOM 347 C ASP A 23 10.244 -11.765 6.514 1.00 25.23 C ATOM 348 O ASP A 23 10.712 -12.869 6.796 1.00 71.34 O ATOM 349 CB ASP A 23 10.217 -11.097 8.925 1.00 31.24 C ATOM 350 CG ASP A 23 9.444 -10.440 10.052 1.00 22.32 C ATOM 351 OD1 ASP A 23 9.356 -11.044 11.142 1.00 3.44 O ATOM 352 OD2 ASP A 23 8.928 -9.323 9.844 1.00 1.54 O ATOM 0 H ASP A 23 7.843 -11.658 8.574 1.00 74.24 H new ATOM 0 HA ASP A 23 9.587 -9.878 7.272 1.00 3.01 H new ATOM 0 HB2 ASP A 23 10.332 -12.160 9.138 1.00 31.24 H new ATOM 0 HB3 ASP A 23 11.219 -10.671 8.879 1.00 31.24 H new ATOM 357 N THR A 24 10.324 -11.236 5.297 1.00 11.34 N ATOM 358 CA THR A 24 10.978 -11.937 4.200 1.00 74.12 C ATOM 359 C THR A 24 12.109 -11.103 3.611 1.00 44.03 C ATOM 360 O THR A 24 11.946 -9.910 3.352 1.00 35.43 O ATOM 361 CB THR A 24 9.977 -12.287 3.082 1.00 64.11 C ATOM 362 OG1 THR A 24 8.956 -13.151 3.591 1.00 32.44 O ATOM 363 CG2 THR A 24 10.684 -12.961 1.915 1.00 32.34 C ATOM 0 H THR A 24 9.943 -10.323 5.047 1.00 11.34 H new ATOM 0 HA THR A 24 11.388 -12.859 4.613 1.00 74.12 H new ATOM 0 HB THR A 24 9.524 -11.361 2.727 1.00 64.11 H new ATOM 0 HG1 THR A 24 8.521 -13.618 2.847 1.00 32.44 H new ATOM 0 HG21 THR A 24 9.958 -13.199 1.138 1.00 32.34 H new ATOM 0 HG22 THR A 24 11.441 -12.289 1.511 1.00 32.34 H new ATOM 0 HG23 THR A 24 11.161 -13.879 2.259 1.00 32.34 H new ATOM 371 N PHE A 25 13.258 -11.737 3.400 1.00 72.43 N ATOM 372 CA PHE A 25 14.418 -11.053 2.841 1.00 52.12 C ATOM 373 C PHE A 25 14.474 -11.226 1.326 1.00 72.22 C ATOM 374 O PHE A 25 14.315 -12.333 0.811 1.00 74.41 O ATOM 375 CB PHE A 25 15.705 -11.585 3.474 1.00 31.32 C ATOM 376 CG PHE A 25 15.587 -11.836 4.950 1.00 4.35 C ATOM 377 CD1 PHE A 25 14.958 -10.917 5.774 1.00 15.14 C ATOM 378 CD2 PHE A 25 16.107 -12.990 5.514 1.00 4.44 C ATOM 379 CE1 PHE A 25 14.847 -11.144 7.133 1.00 24.44 C ATOM 380 CE2 PHE A 25 16.000 -13.223 6.872 1.00 11.34 C ATOM 381 CZ PHE A 25 15.370 -12.298 7.683 1.00 22.41 C ATOM 0 H PHE A 25 13.410 -12.724 3.608 1.00 72.43 H new ATOM 0 HA PHE A 25 14.324 -9.990 3.065 1.00 52.12 H new ATOM 0 HB2 PHE A 25 15.988 -12.513 2.977 1.00 31.32 H new ATOM 0 HB3 PHE A 25 16.509 -10.871 3.298 1.00 31.32 H new ATOM 0 HD1 PHE A 25 14.549 -10.012 5.349 1.00 15.14 H new ATOM 0 HD2 PHE A 25 16.602 -13.716 4.885 1.00 4.44 H new ATOM 0 HE1 PHE A 25 14.352 -10.420 7.764 1.00 24.44 H new ATOM 0 HE2 PHE A 25 16.408 -14.127 7.299 1.00 11.34 H new ATOM 0 HZ PHE A 25 15.287 -12.477 8.745 1.00 22.41 H new ATOM 391 N ILE A 26 14.700 -10.125 0.618 1.00 3.43 N ATOM 392 CA ILE A 26 14.778 -10.154 -0.837 1.00 33.31 C ATOM 393 C ILE A 26 16.036 -9.451 -1.335 1.00 13.10 C ATOM 394 O ILE A 26 16.234 -8.261 -1.089 1.00 53.24 O ATOM 395 CB ILE A 26 13.544 -9.493 -1.480 1.00 5.21 C ATOM 396 CG1 ILE A 26 13.688 -9.468 -3.003 1.00 50.11 C ATOM 397 CG2 ILE A 26 13.356 -8.084 -0.937 1.00 73.12 C ATOM 398 CD1 ILE A 26 13.869 -10.839 -3.615 1.00 73.24 C ATOM 0 H ILE A 26 14.832 -9.201 1.029 1.00 3.43 H new ATOM 0 HA ILE A 26 14.812 -11.203 -1.130 1.00 33.31 H new ATOM 0 HB ILE A 26 12.661 -10.080 -1.227 1.00 5.21 H new ATOM 0 HG12 ILE A 26 12.804 -9.000 -3.436 1.00 50.11 H new ATOM 0 HG13 ILE A 26 14.542 -8.845 -3.269 1.00 50.11 H new ATOM 0 HG21 ILE A 26 12.480 -7.629 -1.400 1.00 73.12 H new ATOM 0 HG22 ILE A 26 13.214 -8.126 0.143 1.00 73.12 H new ATOM 0 HG23 ILE A 26 14.238 -7.486 -1.164 1.00 73.12 H new ATOM 0 HD11 ILE A 26 13.964 -10.745 -4.697 1.00 73.24 H new ATOM 0 HD12 ILE A 26 14.769 -11.302 -3.210 1.00 73.24 H new ATOM 0 HD13 ILE A 26 13.004 -11.460 -3.380 1.00 73.24 H new ATOM 410 N LYS A 27 16.883 -10.194 -2.038 1.00 64.21 N ATOM 411 CA LYS A 27 18.122 -9.643 -2.575 1.00 12.42 C ATOM 412 C LYS A 27 17.844 -8.408 -3.426 1.00 54.02 C ATOM 413 O LYS A 27 16.689 -8.046 -3.654 1.00 71.04 O ATOM 414 CB LYS A 27 18.854 -10.696 -3.409 1.00 60.11 C ATOM 415 CG LYS A 27 19.335 -11.887 -2.599 1.00 32.33 C ATOM 416 CD LYS A 27 20.188 -12.825 -3.437 1.00 53.42 C ATOM 417 CE LYS A 27 19.720 -14.267 -3.311 1.00 5.54 C ATOM 418 NZ LYS A 27 20.101 -15.079 -4.499 1.00 24.31 N ATOM 0 H LYS A 27 16.734 -11.181 -2.250 1.00 64.21 H new ATOM 0 HA LYS A 27 18.754 -9.350 -1.736 1.00 12.42 H new ATOM 0 HB2 LYS A 27 18.190 -11.048 -4.198 1.00 60.11 H new ATOM 0 HB3 LYS A 27 19.710 -10.230 -3.897 1.00 60.11 H new ATOM 0 HG2 LYS A 27 19.912 -11.537 -1.743 1.00 32.33 H new ATOM 0 HG3 LYS A 27 18.476 -12.430 -2.204 1.00 32.33 H new ATOM 0 HD2 LYS A 27 20.148 -12.519 -4.482 1.00 53.42 H new ATOM 0 HD3 LYS A 27 21.229 -12.750 -3.122 1.00 53.42 H new ATOM 0 HE2 LYS A 27 20.151 -14.712 -2.414 1.00 5.54 H new ATOM 0 HE3 LYS A 27 18.637 -14.288 -3.189 1.00 5.54 H new ATOM 0 HZ1 LYS A 27 19.764 -16.055 -4.375 1.00 24.31 H new ATOM 0 HZ2 LYS A 27 19.669 -14.670 -5.352 1.00 24.31 H new ATOM 0 HZ3 LYS A 27 21.136 -15.080 -4.601 1.00 24.31 H new ATOM 432 N CYS A 28 18.908 -7.766 -3.895 1.00 3.22 N ATOM 433 CA CYS A 28 18.779 -6.572 -4.722 1.00 64.41 C ATOM 434 C CYS A 28 19.233 -6.850 -6.152 1.00 61.44 C ATOM 435 O CYS A 28 20.331 -6.476 -6.566 1.00 13.02 O ATOM 436 CB CYS A 28 19.599 -5.425 -4.129 1.00 40.54 C ATOM 437 SG CYS A 28 19.640 -5.403 -2.308 1.00 52.13 S ATOM 0 H CYS A 28 19.870 -8.053 -3.716 1.00 3.22 H new ATOM 0 HA CYS A 28 17.727 -6.286 -4.742 1.00 64.41 H new ATOM 0 HB2 CYS A 28 20.620 -5.491 -4.504 1.00 40.54 H new ATOM 0 HB3 CYS A 28 19.190 -4.479 -4.484 1.00 40.54 H new ATOM 442 N PRO A 29 18.369 -7.523 -6.927 1.00 11.10 N ATOM 443 CA PRO A 29 18.658 -7.865 -8.323 1.00 32.43 C ATOM 444 C PRO A 29 18.669 -6.640 -9.230 1.00 50.10 C ATOM 445 O PRO A 29 19.207 -6.679 -10.337 1.00 55.20 O ATOM 446 CB PRO A 29 17.509 -8.802 -8.703 1.00 74.23 C ATOM 447 CG PRO A 29 16.395 -8.426 -7.788 1.00 73.32 C ATOM 448 CD PRO A 29 17.043 -8.000 -6.500 1.00 72.11 C ATOM 0 HA PRO A 29 19.646 -8.311 -8.437 1.00 32.43 H new ATOM 0 HB2 PRO A 29 17.224 -8.675 -9.747 1.00 74.23 H new ATOM 0 HB3 PRO A 29 17.791 -9.847 -8.574 1.00 74.23 H new ATOM 0 HG2 PRO A 29 15.799 -7.618 -8.211 1.00 73.32 H new ATOM 0 HG3 PRO A 29 15.722 -9.268 -7.626 1.00 73.32 H new ATOM 0 HD2 PRO A 29 16.473 -7.214 -6.004 1.00 72.11 H new ATOM 0 HD3 PRO A 29 17.121 -8.829 -5.796 1.00 72.11 H new ATOM 456 N LYS A 30 18.073 -5.552 -8.754 1.00 74.04 N ATOM 457 CA LYS A 30 18.015 -4.313 -9.521 1.00 71.34 C ATOM 458 C LYS A 30 19.417 -3.812 -9.851 1.00 2.40 C ATOM 459 O LYS A 30 19.815 -3.771 -11.015 1.00 51.44 O ATOM 460 CB LYS A 30 17.248 -3.242 -8.742 1.00 65.13 C ATOM 461 CG LYS A 30 15.740 -3.404 -8.809 1.00 73.10 C ATOM 462 CD LYS A 30 15.190 -2.955 -10.152 1.00 74.13 C ATOM 463 CE LYS A 30 14.934 -1.456 -10.177 1.00 12.11 C ATOM 464 NZ LYS A 30 16.038 -0.716 -10.849 1.00 12.13 N ATOM 0 H LYS A 30 17.623 -5.503 -7.840 1.00 74.04 H new ATOM 0 HA LYS A 30 17.492 -4.517 -10.455 1.00 71.34 H new ATOM 0 HB2 LYS A 30 17.562 -3.269 -7.699 1.00 65.13 H new ATOM 0 HB3 LYS A 30 17.517 -2.260 -9.130 1.00 65.13 H new ATOM 0 HG2 LYS A 30 15.477 -4.448 -8.638 1.00 73.10 H new ATOM 0 HG3 LYS A 30 15.275 -2.824 -8.012 1.00 73.10 H new ATOM 0 HD2 LYS A 30 15.895 -3.218 -10.941 1.00 74.13 H new ATOM 0 HD3 LYS A 30 14.262 -3.487 -10.363 1.00 74.13 H new ATOM 0 HE2 LYS A 30 13.995 -1.256 -10.694 1.00 12.11 H new ATOM 0 HE3 LYS A 30 14.820 -1.090 -9.157 1.00 12.11 H new ATOM 0 HZ1 LYS A 30 16.324 0.091 -10.259 1.00 12.13 H new ATOM 0 HZ2 LYS A 30 16.850 -1.351 -10.984 1.00 12.13 H new ATOM 0 HZ3 LYS A 30 15.712 -0.371 -11.774 1.00 12.13 H new ATOM 478 N PHE A 31 20.163 -3.432 -8.818 1.00 73.15 N ATOM 479 CA PHE A 31 21.521 -2.934 -8.999 1.00 2.43 C ATOM 480 C PHE A 31 22.546 -4.004 -8.635 1.00 1.02 C ATOM 481 O PHE A 31 22.982 -4.096 -7.487 1.00 63.33 O ATOM 482 CB PHE A 31 21.746 -1.684 -8.144 1.00 64.52 C ATOM 483 CG PHE A 31 20.489 -0.911 -7.871 1.00 15.43 C ATOM 484 CD1 PHE A 31 19.679 -1.237 -6.795 1.00 12.32 C ATOM 485 CD2 PHE A 31 20.116 0.143 -8.690 1.00 74.20 C ATOM 486 CE1 PHE A 31 18.521 -0.526 -6.540 1.00 72.30 C ATOM 487 CE2 PHE A 31 18.959 0.857 -8.440 1.00 61.00 C ATOM 488 CZ PHE A 31 18.160 0.521 -7.364 1.00 40.35 C ATOM 0 H PHE A 31 19.850 -3.460 -7.848 1.00 73.15 H new ATOM 0 HA PHE A 31 21.650 -2.676 -10.050 1.00 2.43 H new ATOM 0 HB2 PHE A 31 22.195 -1.978 -7.196 1.00 64.52 H new ATOM 0 HB3 PHE A 31 22.461 -1.033 -8.647 1.00 64.52 H new ATOM 0 HD1 PHE A 31 19.956 -2.056 -6.148 1.00 12.32 H new ATOM 0 HD2 PHE A 31 20.736 0.410 -9.533 1.00 74.20 H new ATOM 0 HE1 PHE A 31 17.899 -0.789 -5.697 1.00 72.30 H new ATOM 0 HE2 PHE A 31 18.680 1.677 -9.085 1.00 61.00 H new ATOM 0 HZ PHE A 31 17.255 1.076 -7.168 1.00 40.35 H new ATOM 498 N ASP A 32 22.925 -4.811 -9.620 1.00 1.42 N ATOM 499 CA ASP A 32 23.899 -5.875 -9.405 1.00 13.21 C ATOM 500 C ASP A 32 25.278 -5.297 -9.103 1.00 52.30 C ATOM 501 O ASP A 32 26.176 -6.009 -8.658 1.00 23.33 O ATOM 502 CB ASP A 32 23.971 -6.785 -10.632 1.00 51.42 C ATOM 503 CG ASP A 32 24.047 -6.003 -11.929 1.00 0.21 C ATOM 504 OD1 ASP A 32 23.377 -6.403 -12.904 1.00 32.22 O ATOM 505 OD2 ASP A 32 24.776 -4.990 -11.968 1.00 41.15 O ATOM 0 H ASP A 32 22.573 -4.749 -10.575 1.00 1.42 H new ATOM 0 HA ASP A 32 23.575 -6.462 -8.546 1.00 13.21 H new ATOM 0 HB2 ASP A 32 24.844 -7.433 -10.550 1.00 51.42 H new ATOM 0 HB3 ASP A 32 23.095 -7.433 -10.652 1.00 51.42 H new ATOM 510 N ASN A 33 25.437 -4.001 -9.350 1.00 5.51 N ATOM 511 CA ASN A 33 26.708 -3.327 -9.106 1.00 12.10 C ATOM 512 C ASN A 33 26.580 -2.322 -7.965 1.00 24.10 C ATOM 513 O ASN A 33 27.567 -1.975 -7.315 1.00 71.11 O ATOM 514 CB ASN A 33 27.184 -2.617 -10.375 1.00 2.12 C ATOM 515 CG ASN A 33 28.187 -3.443 -11.157 1.00 41.44 C ATOM 516 OD1 ASN A 33 28.011 -3.686 -12.351 1.00 51.53 O ATOM 517 ND2 ASN A 33 29.247 -3.878 -10.486 1.00 34.52 N ATOM 0 H ASN A 33 24.703 -3.397 -9.719 1.00 5.51 H new ATOM 0 HA ASN A 33 27.442 -4.081 -8.822 1.00 12.10 H new ATOM 0 HB2 ASN A 33 26.325 -2.397 -11.009 1.00 2.12 H new ATOM 0 HB3 ASN A 33 27.635 -1.662 -10.106 1.00 2.12 H new ATOM 0 HD21 ASN A 33 29.956 -4.438 -10.960 1.00 34.52 H new ATOM 0 HD22 ASN A 33 29.352 -3.653 -9.497 1.00 34.52 H new ATOM 524 N LYS A 34 25.358 -1.858 -7.726 1.00 64.22 N ATOM 525 CA LYS A 34 25.100 -0.895 -6.663 1.00 15.31 C ATOM 526 C LYS A 34 24.158 -1.480 -5.615 1.00 61.44 C ATOM 527 O LYS A 34 23.379 -0.759 -4.993 1.00 55.41 O ATOM 528 CB LYS A 34 24.499 0.388 -7.244 1.00 21.44 C ATOM 529 CG LYS A 34 25.195 0.868 -8.505 1.00 43.30 C ATOM 530 CD LYS A 34 26.636 1.266 -8.230 1.00 32.11 C ATOM 531 CE LYS A 34 26.783 2.774 -8.100 1.00 53.34 C ATOM 532 NZ LYS A 34 26.845 3.205 -6.676 1.00 52.23 N ATOM 0 H LYS A 34 24.531 -2.134 -8.255 1.00 64.22 H new ATOM 0 HA LYS A 34 26.049 -0.660 -6.182 1.00 15.31 H new ATOM 0 HB2 LYS A 34 23.445 0.219 -7.463 1.00 21.44 H new ATOM 0 HB3 LYS A 34 24.546 1.175 -6.491 1.00 21.44 H new ATOM 0 HG2 LYS A 34 25.172 0.079 -9.257 1.00 43.30 H new ATOM 0 HG3 LYS A 34 24.654 1.719 -8.919 1.00 43.30 H new ATOM 0 HD2 LYS A 34 26.979 0.786 -7.313 1.00 32.11 H new ATOM 0 HD3 LYS A 34 27.274 0.905 -9.037 1.00 32.11 H new ATOM 0 HE2 LYS A 34 27.687 3.097 -8.617 1.00 53.34 H new ATOM 0 HE3 LYS A 34 25.943 3.264 -8.592 1.00 53.34 H new ATOM 0 HZ1 LYS A 34 26.945 4.239 -6.630 1.00 52.23 H new ATOM 0 HZ2 LYS A 34 25.972 2.920 -6.189 1.00 52.23 H new ATOM 0 HZ3 LYS A 34 27.662 2.757 -6.213 1.00 52.23 H new ATOM 546 N LYS A 35 24.236 -2.793 -5.424 1.00 4.11 N ATOM 547 CA LYS A 35 23.394 -3.476 -4.450 1.00 32.13 C ATOM 548 C LYS A 35 23.744 -3.044 -3.029 1.00 52.34 C ATOM 549 O LYS A 35 24.564 -2.148 -2.827 1.00 0.14 O ATOM 550 CB LYS A 35 23.549 -4.993 -4.585 1.00 52.42 C ATOM 551 CG LYS A 35 24.987 -5.469 -4.475 1.00 34.32 C ATOM 552 CD LYS A 35 25.279 -6.592 -5.456 1.00 34.53 C ATOM 553 CE LYS A 35 26.740 -6.599 -5.876 1.00 63.32 C ATOM 554 NZ LYS A 35 27.082 -7.808 -6.677 1.00 14.24 N ATOM 0 H LYS A 35 24.875 -3.405 -5.932 1.00 4.11 H new ATOM 0 HA LYS A 35 22.358 -3.203 -4.649 1.00 32.13 H new ATOM 0 HB2 LYS A 35 22.953 -5.481 -3.813 1.00 52.42 H new ATOM 0 HB3 LYS A 35 23.144 -5.307 -5.547 1.00 52.42 H new ATOM 0 HG2 LYS A 35 25.663 -4.635 -4.664 1.00 34.32 H new ATOM 0 HG3 LYS A 35 25.181 -5.813 -3.459 1.00 34.32 H new ATOM 0 HD2 LYS A 35 25.026 -7.549 -5.001 1.00 34.53 H new ATOM 0 HD3 LYS A 35 24.647 -6.481 -6.337 1.00 34.53 H new ATOM 0 HE2 LYS A 35 26.954 -5.704 -6.460 1.00 63.32 H new ATOM 0 HE3 LYS A 35 27.373 -6.560 -4.989 1.00 63.32 H new ATOM 0 HZ1 LYS A 35 28.088 -8.037 -6.548 1.00 14.24 H new ATOM 0 HZ2 LYS A 35 26.501 -8.610 -6.360 1.00 14.24 H new ATOM 0 HZ3 LYS A 35 26.895 -7.622 -7.683 1.00 14.24 H new ATOM 568 N CYS A 36 23.118 -3.686 -2.049 1.00 21.30 N ATOM 569 CA CYS A 36 23.364 -3.369 -0.647 1.00 72.44 C ATOM 570 C CYS A 36 24.858 -3.395 -0.338 1.00 32.45 C ATOM 571 O CYS A 36 25.584 -4.278 -0.797 1.00 51.41 O ATOM 572 CB CYS A 36 22.627 -4.359 0.258 1.00 52.34 C ATOM 573 SG CYS A 36 20.860 -4.554 -0.139 1.00 35.44 S ATOM 0 H CYS A 36 22.436 -4.429 -2.200 1.00 21.30 H new ATOM 0 HA CYS A 36 22.989 -2.364 -0.456 1.00 72.44 H new ATOM 0 HB2 CYS A 36 23.114 -5.332 0.187 1.00 52.34 H new ATOM 0 HB3 CYS A 36 22.722 -4.029 1.293 1.00 52.34 H new ATOM 578 N THR A 37 25.311 -2.422 0.446 1.00 42.53 N ATOM 579 CA THR A 37 26.718 -2.331 0.817 1.00 73.43 C ATOM 580 C THR A 37 26.879 -1.799 2.236 1.00 31.51 C ATOM 581 O THR A 37 27.972 -1.402 2.641 1.00 34.23 O ATOM 582 CB THR A 37 27.497 -1.422 -0.152 1.00 0.22 C ATOM 583 OG1 THR A 37 26.680 -0.314 -0.548 1.00 24.22 O ATOM 584 CG2 THR A 37 27.941 -2.197 -1.383 1.00 50.12 C ATOM 0 H THR A 37 24.724 -1.685 0.837 1.00 42.53 H new ATOM 0 HA THR A 37 27.125 -3.341 0.762 1.00 73.43 H new ATOM 0 HB THR A 37 28.383 -1.053 0.364 1.00 0.22 H new ATOM 0 HG1 THR A 37 27.183 0.260 -1.163 1.00 24.22 H new ATOM 0 HG21 THR A 37 28.489 -1.534 -2.052 1.00 50.12 H new ATOM 0 HG22 THR A 37 28.586 -3.022 -1.081 1.00 50.12 H new ATOM 0 HG23 THR A 37 27.066 -2.592 -1.900 1.00 50.12 H new ATOM 592 N LYS A 38 25.784 -1.795 2.989 1.00 2.11 N ATOM 593 CA LYS A 38 25.804 -1.314 4.365 1.00 14.43 C ATOM 594 C LYS A 38 24.913 -2.174 5.255 1.00 33.43 C ATOM 595 O LYS A 38 24.261 -3.105 4.782 1.00 35.22 O ATOM 596 CB LYS A 38 25.344 0.145 4.424 1.00 60.12 C ATOM 597 CG LYS A 38 26.190 1.013 5.339 1.00 44.14 C ATOM 598 CD LYS A 38 27.631 1.088 4.860 1.00 13.53 C ATOM 599 CE LYS A 38 28.610 0.851 6.000 1.00 74.41 C ATOM 600 NZ LYS A 38 28.843 2.086 6.797 1.00 3.43 N ATOM 0 H LYS A 38 24.871 -2.120 2.669 1.00 2.11 H new ATOM 0 HA LYS A 38 26.828 -1.381 4.732 1.00 14.43 H new ATOM 0 HB2 LYS A 38 25.364 0.565 3.418 1.00 60.12 H new ATOM 0 HB3 LYS A 38 24.308 0.177 4.762 1.00 60.12 H new ATOM 0 HG2 LYS A 38 25.767 2.017 5.383 1.00 44.14 H new ATOM 0 HG3 LYS A 38 26.163 0.611 6.352 1.00 44.14 H new ATOM 0 HD2 LYS A 38 27.795 0.346 4.078 1.00 13.53 H new ATOM 0 HD3 LYS A 38 27.818 2.066 4.416 1.00 13.53 H new ATOM 0 HE2 LYS A 38 28.226 0.066 6.651 1.00 74.41 H new ATOM 0 HE3 LYS A 38 29.558 0.495 5.596 1.00 74.41 H new ATOM 0 HZ1 LYS A 38 29.516 1.883 7.564 1.00 3.43 H new ATOM 0 HZ2 LYS A 38 29.234 2.828 6.182 1.00 3.43 H new ATOM 0 HZ3 LYS A 38 27.943 2.412 7.204 1.00 3.43 H new ATOM 614 N ASP A 39 24.889 -1.857 6.545 1.00 41.30 N ATOM 615 CA ASP A 39 24.076 -2.600 7.501 1.00 51.43 C ATOM 616 C ASP A 39 22.959 -1.724 8.061 1.00 43.15 C ATOM 617 O ASP A 39 23.202 -0.605 8.512 1.00 73.51 O ATOM 618 CB ASP A 39 24.947 -3.128 8.641 1.00 31.34 C ATOM 619 CG ASP A 39 24.518 -4.506 9.107 1.00 53.20 C ATOM 620 OD1 ASP A 39 25.389 -5.394 9.216 1.00 41.03 O ATOM 621 OD2 ASP A 39 23.311 -4.695 9.364 1.00 75.45 O ATOM 0 H ASP A 39 25.424 -1.090 6.953 1.00 41.30 H new ATOM 0 HA ASP A 39 23.624 -3.443 6.979 1.00 51.43 H new ATOM 0 HB2 ASP A 39 25.986 -3.166 8.313 1.00 31.34 H new ATOM 0 HB3 ASP A 39 24.902 -2.434 9.480 1.00 31.34 H new ATOM 626 N ASN A 40 21.735 -2.241 8.026 1.00 3.34 N ATOM 627 CA ASN A 40 20.581 -1.505 8.529 1.00 53.01 C ATOM 628 C ASN A 40 20.340 -0.243 7.707 1.00 42.53 C ATOM 629 O ASN A 40 19.739 0.717 8.186 1.00 12.53 O ATOM 630 CB ASN A 40 20.785 -1.138 10.000 1.00 14.21 C ATOM 631 CG ASN A 40 21.446 -2.252 10.788 1.00 74.30 C ATOM 632 OD1 ASN A 40 22.670 -2.384 10.791 1.00 14.22 O ATOM 633 ND2 ASN A 40 20.636 -3.062 11.461 1.00 52.23 N ATOM 0 H ASN A 40 21.517 -3.166 7.655 1.00 3.34 H new ATOM 0 HA ASN A 40 19.705 -2.148 8.440 1.00 53.01 H new ATOM 0 HB2 ASN A 40 21.397 -0.238 10.066 1.00 14.21 H new ATOM 0 HB3 ASN A 40 19.821 -0.901 10.450 1.00 14.21 H new ATOM 0 HD21 ASN A 40 21.023 -3.831 12.009 1.00 52.23 H new ATOM 0 HD22 ASN A 40 19.627 -2.915 11.430 1.00 52.23 H new ATOM 640 N ASN A 41 20.814 -0.252 6.465 1.00 22.30 N ATOM 641 CA ASN A 41 20.651 0.892 5.575 1.00 31.35 C ATOM 642 C ASN A 41 19.184 1.087 5.204 1.00 10.14 C ATOM 643 O ASN A 41 18.302 0.410 5.733 1.00 24.24 O ATOM 644 CB ASN A 41 21.488 0.703 4.309 1.00 42.11 C ATOM 645 CG ASN A 41 21.299 -0.668 3.689 1.00 33.15 C ATOM 646 OD1 ASN A 41 20.494 -0.842 2.774 1.00 64.11 O ATOM 647 ND2 ASN A 41 22.041 -1.650 4.188 1.00 31.00 N ATOM 0 H ASN A 41 21.314 -1.039 6.052 1.00 22.30 H new ATOM 0 HA ASN A 41 20.996 1.782 6.101 1.00 31.35 H new ATOM 0 HB2 ASN A 41 21.218 1.468 3.581 1.00 42.11 H new ATOM 0 HB3 ASN A 41 22.541 0.848 4.548 1.00 42.11 H new ATOM 0 HD21 ASN A 41 21.956 -2.595 3.812 1.00 31.00 H new ATOM 0 HD22 ASN A 41 22.696 -1.460 4.947 1.00 31.00 H new ATOM 654 N LYS A 42 18.929 2.018 4.291 1.00 65.43 N ATOM 655 CA LYS A 42 17.570 2.302 3.846 1.00 44.41 C ATOM 656 C LYS A 42 17.285 1.634 2.505 1.00 64.41 C ATOM 657 O LYS A 42 17.925 1.941 1.498 1.00 34.32 O ATOM 658 CB LYS A 42 17.356 3.813 3.730 1.00 13.21 C ATOM 659 CG LYS A 42 17.790 4.586 4.964 1.00 61.53 C ATOM 660 CD LYS A 42 16.746 5.610 5.377 1.00 64.33 C ATOM 661 CE LYS A 42 17.361 6.729 6.203 1.00 55.31 C ATOM 662 NZ LYS A 42 17.881 7.830 5.346 1.00 50.05 N ATOM 0 H LYS A 42 19.646 2.589 3.844 1.00 65.43 H new ATOM 0 HA LYS A 42 16.880 1.898 4.587 1.00 44.41 H new ATOM 0 HB2 LYS A 42 17.908 4.184 2.866 1.00 13.21 H new ATOM 0 HB3 LYS A 42 16.300 4.009 3.542 1.00 13.21 H new ATOM 0 HG2 LYS A 42 17.965 3.892 5.786 1.00 61.53 H new ATOM 0 HG3 LYS A 42 18.736 5.090 4.765 1.00 61.53 H new ATOM 0 HD2 LYS A 42 16.274 6.029 4.488 1.00 64.33 H new ATOM 0 HD3 LYS A 42 15.961 5.120 5.953 1.00 64.33 H new ATOM 0 HE2 LYS A 42 16.614 7.126 6.890 1.00 55.31 H new ATOM 0 HE3 LYS A 42 18.172 6.328 6.811 1.00 55.31 H new ATOM 0 HZ1 LYS A 42 18.292 8.573 5.947 1.00 50.05 H new ATOM 0 HZ2 LYS A 42 18.612 7.457 4.707 1.00 50.05 H new ATOM 0 HZ3 LYS A 42 17.102 8.230 4.784 1.00 50.05 H new ATOM 676 N CYS A 43 16.321 0.719 2.498 1.00 44.10 N ATOM 677 CA CYS A 43 15.951 0.007 1.281 1.00 55.41 C ATOM 678 C CYS A 43 14.456 -0.302 1.266 1.00 64.32 C ATOM 679 O CYS A 43 13.876 -0.671 2.288 1.00 42.33 O ATOM 680 CB CYS A 43 16.753 -1.290 1.159 1.00 14.22 C ATOM 681 SG CYS A 43 16.243 -2.591 2.327 1.00 21.44 S ATOM 0 H CYS A 43 15.782 0.453 3.322 1.00 44.10 H new ATOM 0 HA CYS A 43 16.181 0.648 0.430 1.00 55.41 H new ATOM 0 HB2 CYS A 43 16.656 -1.671 0.142 1.00 14.22 H new ATOM 0 HB3 CYS A 43 17.809 -1.068 1.317 1.00 14.22 H new ATOM 686 N THR A 44 13.838 -0.150 0.099 1.00 71.53 N ATOM 687 CA THR A 44 12.412 -0.413 -0.050 1.00 41.45 C ATOM 688 C THR A 44 12.159 -1.508 -1.080 1.00 41.43 C ATOM 689 O THR A 44 12.870 -1.610 -2.080 1.00 50.32 O ATOM 690 CB THR A 44 11.648 0.858 -0.470 1.00 63.53 C ATOM 691 OG1 THR A 44 12.206 1.388 -1.678 1.00 30.12 O ATOM 692 CG2 THR A 44 11.706 1.911 0.626 1.00 34.41 C ATOM 0 H THR A 44 14.303 0.154 -0.757 1.00 71.53 H new ATOM 0 HA THR A 44 12.048 -0.743 0.923 1.00 41.45 H new ATOM 0 HB THR A 44 10.605 0.590 -0.639 1.00 63.53 H new ATOM 0 HG1 THR A 44 12.089 2.361 -1.693 1.00 30.12 H new ATOM 0 HG21 THR A 44 11.160 2.799 0.307 1.00 34.41 H new ATOM 0 HG22 THR A 44 11.254 1.515 1.536 1.00 34.41 H new ATOM 0 HG23 THR A 44 12.745 2.175 0.822 1.00 34.41 H new ATOM 700 N VAL A 45 11.141 -2.325 -0.830 1.00 62.13 N ATOM 701 CA VAL A 45 10.793 -3.412 -1.737 1.00 61.33 C ATOM 702 C VAL A 45 9.459 -3.148 -2.426 1.00 11.42 C ATOM 703 O VAL A 45 8.515 -2.657 -1.806 1.00 3.22 O ATOM 704 CB VAL A 45 10.717 -4.760 -0.995 1.00 50.22 C ATOM 705 CG1 VAL A 45 10.297 -5.870 -1.946 1.00 64.32 C ATOM 706 CG2 VAL A 45 12.051 -5.083 -0.341 1.00 25.15 C ATOM 0 H VAL A 45 10.543 -2.255 -0.007 1.00 62.13 H new ATOM 0 HA VAL A 45 11.582 -3.462 -2.487 1.00 61.33 H new ATOM 0 HB VAL A 45 9.964 -4.682 -0.211 1.00 50.22 H new ATOM 0 HG11 VAL A 45 10.249 -6.815 -1.404 1.00 64.32 H new ATOM 0 HG12 VAL A 45 9.316 -5.640 -2.363 1.00 64.32 H new ATOM 0 HG13 VAL A 45 11.024 -5.952 -2.754 1.00 64.32 H new ATOM 0 HG21 VAL A 45 11.980 -6.038 0.179 1.00 25.15 H new ATOM 0 HG22 VAL A 45 12.826 -5.143 -1.105 1.00 25.15 H new ATOM 0 HG23 VAL A 45 12.305 -4.300 0.373 1.00 25.15 H new ATOM 716 N ASP A 46 9.387 -3.476 -3.711 1.00 22.51 N ATOM 717 CA ASP A 46 8.167 -3.276 -4.485 1.00 4.04 C ATOM 718 C ASP A 46 7.660 -4.598 -5.051 1.00 34.31 C ATOM 719 O ASP A 46 8.342 -5.252 -5.841 1.00 4.43 O ATOM 720 CB ASP A 46 8.416 -2.282 -5.620 1.00 61.44 C ATOM 721 CG ASP A 46 7.690 -0.968 -5.409 1.00 70.35 C ATOM 722 OD1 ASP A 46 6.477 -1.001 -5.112 1.00 23.21 O ATOM 723 OD2 ASP A 46 8.334 0.093 -5.541 1.00 65.11 O ATOM 0 H ASP A 46 10.159 -3.882 -4.239 1.00 22.51 H new ATOM 0 HA ASP A 46 7.405 -2.871 -3.819 1.00 4.04 H new ATOM 0 HB2 ASP A 46 9.486 -2.093 -5.705 1.00 61.44 H new ATOM 0 HB3 ASP A 46 8.094 -2.724 -6.563 1.00 61.44 H new ATOM 728 N THR A 47 6.457 -4.989 -4.641 1.00 54.33 N ATOM 729 CA THR A 47 5.858 -6.234 -5.106 1.00 10.24 C ATOM 730 C THR A 47 5.036 -6.011 -6.370 1.00 11.23 C ATOM 731 O THR A 47 3.909 -6.494 -6.482 1.00 60.04 O ATOM 732 CB THR A 47 4.957 -6.861 -4.025 1.00 61.20 C ATOM 733 OG1 THR A 47 4.402 -8.091 -4.504 1.00 31.23 O ATOM 734 CG2 THR A 47 3.835 -5.910 -3.636 1.00 44.14 C ATOM 0 H THR A 47 5.878 -4.461 -3.988 1.00 54.33 H new ATOM 0 HA THR A 47 6.679 -6.917 -5.326 1.00 10.24 H new ATOM 0 HB THR A 47 5.567 -7.057 -3.143 1.00 61.20 H new ATOM 0 HG1 THR A 47 3.952 -7.935 -5.360 1.00 31.23 H new ATOM 0 HG21 THR A 47 3.213 -6.375 -2.872 1.00 44.14 H new ATOM 0 HG22 THR A 47 4.261 -4.986 -3.245 1.00 44.14 H new ATOM 0 HG23 THR A 47 3.227 -5.687 -4.513 1.00 44.14 H new ATOM 742 N TYR A 48 5.606 -5.277 -7.319 1.00 23.22 N ATOM 743 CA TYR A 48 4.925 -4.989 -8.575 1.00 52.22 C ATOM 744 C TYR A 48 5.731 -5.505 -9.763 1.00 71.02 C ATOM 745 O TYR A 48 5.169 -5.922 -10.775 1.00 34.24 O ATOM 746 CB TYR A 48 4.690 -3.484 -8.719 1.00 24.12 C ATOM 747 CG TYR A 48 3.743 -3.123 -9.841 1.00 31.34 C ATOM 748 CD1 TYR A 48 2.404 -3.491 -9.791 1.00 31.25 C ATOM 749 CD2 TYR A 48 4.187 -2.416 -10.951 1.00 14.52 C ATOM 750 CE1 TYR A 48 1.535 -3.164 -10.813 1.00 74.43 C ATOM 751 CE2 TYR A 48 3.324 -2.083 -11.977 1.00 62.24 C ATOM 752 CZ TYR A 48 1.999 -2.460 -11.904 1.00 44.02 C ATOM 753 OH TYR A 48 1.137 -2.132 -12.926 1.00 4.04 O ATOM 0 H TYR A 48 6.538 -4.871 -7.242 1.00 23.22 H new ATOM 0 HA TYR A 48 3.963 -5.501 -8.562 1.00 52.22 H new ATOM 0 HB2 TYR A 48 4.293 -3.095 -7.781 1.00 24.12 H new ATOM 0 HB3 TYR A 48 5.647 -2.990 -8.889 1.00 24.12 H new ATOM 0 HD1 TYR A 48 2.037 -4.042 -8.938 1.00 31.25 H new ATOM 0 HD2 TYR A 48 5.224 -2.122 -11.013 1.00 14.52 H new ATOM 0 HE1 TYR A 48 0.497 -3.458 -10.758 1.00 74.43 H new ATOM 0 HE2 TYR A 48 3.685 -1.530 -12.832 1.00 62.24 H new ATOM 0 HH TYR A 48 1.623 -1.636 -13.617 1.00 4.04 H new ATOM 763 N ASN A 49 7.053 -5.474 -9.631 1.00 40.41 N ATOM 764 CA ASN A 49 7.938 -5.938 -10.693 1.00 24.11 C ATOM 765 C ASN A 49 9.284 -6.378 -10.125 1.00 64.22 C ATOM 766 O ASN A 49 10.295 -6.380 -10.827 1.00 73.21 O ATOM 767 CB ASN A 49 8.147 -4.834 -11.731 1.00 53.23 C ATOM 768 CG ASN A 49 8.376 -3.477 -11.094 1.00 41.12 C ATOM 769 OD1 ASN A 49 7.543 -2.577 -11.206 1.00 71.50 O ATOM 770 ND2 ASN A 49 9.511 -3.324 -10.421 1.00 54.54 N ATOM 0 H ASN A 49 7.535 -5.133 -8.799 1.00 40.41 H new ATOM 0 HA ASN A 49 7.468 -6.796 -11.175 1.00 24.11 H new ATOM 0 HB2 ASN A 49 9.002 -5.086 -12.359 1.00 53.23 H new ATOM 0 HB3 ASN A 49 7.276 -4.783 -12.384 1.00 53.23 H new ATOM 0 HD21 ASN A 49 9.721 -2.433 -9.971 1.00 54.54 H new ATOM 0 HD22 ASN A 49 10.173 -4.098 -10.354 1.00 54.54 H new ATOM 777 N ASN A 50 9.289 -6.751 -8.849 1.00 70.04 N ATOM 778 CA ASN A 50 10.510 -7.194 -8.187 1.00 5.52 C ATOM 779 C ASN A 50 11.635 -6.182 -8.386 1.00 53.43 C ATOM 780 O ASN A 50 12.466 -6.331 -9.281 1.00 42.32 O ATOM 781 CB ASN A 50 10.939 -8.561 -8.722 1.00 62.13 C ATOM 782 CG ASN A 50 9.941 -9.652 -8.387 1.00 74.14 C ATOM 783 OD1 ASN A 50 8.913 -9.397 -7.760 1.00 12.14 O ATOM 784 ND2 ASN A 50 10.240 -10.876 -8.806 1.00 75.40 N ATOM 0 H ASN A 50 8.461 -6.755 -8.253 1.00 70.04 H new ATOM 0 HA ASN A 50 10.304 -7.278 -7.120 1.00 5.52 H new ATOM 0 HB2 ASN A 50 11.060 -8.503 -9.804 1.00 62.13 H new ATOM 0 HB3 ASN A 50 11.912 -8.822 -8.306 1.00 62.13 H new ATOM 0 HD21 ASN A 50 9.606 -11.651 -8.611 1.00 75.40 H new ATOM 0 HD22 ASN A 50 11.104 -11.041 -9.323 1.00 75.40 H new ATOM 791 N ALA A 51 11.653 -5.152 -7.546 1.00 22.54 N ATOM 792 CA ALA A 51 12.676 -4.117 -7.628 1.00 22.45 C ATOM 793 C ALA A 51 12.885 -3.444 -6.276 1.00 10.35 C ATOM 794 O ALA A 51 12.032 -2.689 -5.808 1.00 40.35 O ATOM 795 CB ALA A 51 12.300 -3.086 -8.681 1.00 2.00 C ATOM 0 H ALA A 51 10.971 -5.012 -6.801 1.00 22.54 H new ATOM 0 HA ALA A 51 13.614 -4.590 -7.918 1.00 22.45 H new ATOM 0 HB1 ALA A 51 13.073 -2.319 -8.731 1.00 2.00 H new ATOM 0 HB2 ALA A 51 12.209 -3.574 -9.652 1.00 2.00 H new ATOM 0 HB3 ALA A 51 11.348 -2.625 -8.416 1.00 2.00 H new ATOM 801 N VAL A 52 14.025 -3.722 -5.650 1.00 53.15 N ATOM 802 CA VAL A 52 14.346 -3.142 -4.352 1.00 34.23 C ATOM 803 C VAL A 52 15.158 -1.862 -4.507 1.00 41.41 C ATOM 804 O VAL A 52 15.740 -1.608 -5.562 1.00 3.22 O ATOM 805 CB VAL A 52 15.133 -4.133 -3.474 1.00 32.21 C ATOM 806 CG1 VAL A 52 16.595 -4.170 -3.890 1.00 63.40 C ATOM 807 CG2 VAL A 52 14.997 -3.766 -2.004 1.00 4.01 C ATOM 0 H VAL A 52 14.741 -4.346 -6.022 1.00 53.15 H new ATOM 0 HA VAL A 52 13.398 -2.910 -3.866 1.00 34.23 H new ATOM 0 HB VAL A 52 14.715 -5.129 -3.616 1.00 32.21 H new ATOM 0 HG11 VAL A 52 17.135 -4.875 -3.259 1.00 63.40 H new ATOM 0 HG12 VAL A 52 16.669 -4.484 -4.931 1.00 63.40 H new ATOM 0 HG13 VAL A 52 17.030 -3.177 -3.779 1.00 63.40 H new ATOM 0 HG21 VAL A 52 15.559 -4.477 -1.398 1.00 4.01 H new ATOM 0 HG22 VAL A 52 15.388 -2.762 -1.842 1.00 4.01 H new ATOM 0 HG23 VAL A 52 13.946 -3.796 -1.717 1.00 4.01 H new ATOM 817 N ASP A 53 15.193 -1.058 -3.450 1.00 23.11 N ATOM 818 CA ASP A 53 15.936 0.197 -3.468 1.00 22.34 C ATOM 819 C ASP A 53 17.085 0.162 -2.465 1.00 1.23 C ATOM 820 O ASP A 53 17.183 1.020 -1.586 1.00 73.24 O ATOM 821 CB ASP A 53 15.005 1.370 -3.156 1.00 24.54 C ATOM 822 CG ASP A 53 15.420 2.643 -3.866 1.00 62.23 C ATOM 823 OD1 ASP A 53 14.771 3.000 -4.872 1.00 65.53 O ATOM 824 OD2 ASP A 53 16.393 3.283 -3.416 1.00 11.10 O ATOM 0 H ASP A 53 14.716 -1.253 -2.570 1.00 23.11 H new ATOM 0 HA ASP A 53 16.353 0.330 -4.466 1.00 22.34 H new ATOM 0 HB2 ASP A 53 13.987 1.110 -3.448 1.00 24.54 H new ATOM 0 HB3 ASP A 53 14.993 1.545 -2.080 1.00 24.54 H new ATOM 829 N CYS A 54 17.953 -0.835 -2.601 1.00 33.03 N ATOM 830 CA CYS A 54 19.094 -0.983 -1.706 1.00 64.34 C ATOM 831 C CYS A 54 20.017 0.229 -1.797 1.00 23.41 C ATOM 832 O CYS A 54 20.247 0.768 -2.880 1.00 32.42 O ATOM 833 CB CYS A 54 19.872 -2.257 -2.045 1.00 1.31 C ATOM 834 SG CYS A 54 19.071 -3.791 -1.476 1.00 10.44 S ATOM 0 H CYS A 54 17.888 -1.553 -3.323 1.00 33.03 H new ATOM 0 HA CYS A 54 18.718 -1.055 -0.686 1.00 64.34 H new ATOM 0 HB2 CYS A 54 20.008 -2.310 -3.125 1.00 1.31 H new ATOM 0 HB3 CYS A 54 20.865 -2.192 -1.601 1.00 1.31 H new ATOM 839 N ASP A 55 20.544 0.651 -0.653 1.00 15.13 N ATOM 840 CA ASP A 55 21.443 1.798 -0.602 1.00 54.20 C ATOM 841 C ASP A 55 22.714 1.528 -1.400 1.00 23.52 C ATOM 842 O ASP A 55 23.575 2.399 -1.529 1.00 41.21 O ATOM 843 CB ASP A 55 21.797 2.132 0.848 1.00 53.00 C ATOM 844 CG ASP A 55 21.327 3.515 1.255 1.00 62.11 C ATOM 845 OD1 ASP A 55 20.238 3.619 1.857 1.00 75.24 O ATOM 846 OD2 ASP A 55 22.050 4.493 0.973 1.00 52.24 O ATOM 0 H ASP A 55 20.364 0.216 0.252 1.00 15.13 H new ATOM 0 HA ASP A 55 20.930 2.650 -1.048 1.00 54.20 H new ATOM 0 HB2 ASP A 55 21.348 1.390 1.509 1.00 53.00 H new ATOM 0 HB3 ASP A 55 22.877 2.065 0.980 1.00 53.00 H new TER 851 ASP A 55