USER MOD reduce.3.24.130724 H: found=0, std=0, add=810, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 810 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 65 GLN : amide:sc= -0.036 K(o=-0.036,f=-1.1) USER MOD Set 1.2: A 79 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 29 TYR OH : rot 70:sc= 0.255 USER MOD Set 2.2: A 97 THR OG1 : rot -112:sc= 0.111 USER MOD Set 3.1: A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 33 HIS : no HD1:sc= -2.26! C(o=-2.3!,f=-10!) USER MOD Single : A 6 SER OG : rot -111:sc= 0.125 USER MOD Single : A 9 SER OG : rot 180:sc= -1.07 USER MOD Single : A 15 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0217) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= 0.13 K(o=0.13,f=-0.64) USER MOD Single : A 30 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00478) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot -67:sc= 0.406 USER MOD Single : A 47 ASN : amide:sc= -0.0526 X(o=-0.053,f=-0.092) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.129 USER MOD Single : A 54 SER OG : rot -43:sc= -0.64 USER MOD Single : A 57 CYS SG : rot 180:sc= -0.13 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 SER OG : rot 89:sc= 0.455 USER MOD Single : A 69 GLN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 136:sc= 0.196 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -0.02 X(o=-0.02,f=-0.32) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 CYS SG : rot -42:sc= -1.76! USER MOD Single : A 89 HIS : no HE2:sc= -1.1 K(o=-1.1,f=-4!) USER MOD Single : A 90 GLN : amide:sc= -0.348 X(o=-0.35,f=-0.42) USER MOD Single : A 95 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00981) USER MOD Single : A 98 LYS NZ :NH3+ -162:sc=-0.00572 (180deg=-0.12) USER MOD Single : A 103 LYS NZ :NH3+ -160:sc= -0.0128 (180deg=-0.191) USER MOD ----------------------------------------------------------------- ATOM 52 N SER A 6 1.405 7.913 1.944 1.00 52.21 N ATOM 53 CA SER A 6 0.109 8.463 2.324 1.00 20.13 C ATOM 54 C SER A 6 -0.448 9.351 1.216 1.00 25.12 C ATOM 55 O SER A 6 0.123 9.441 0.129 1.00 24.33 O ATOM 56 CB SER A 6 0.231 9.262 3.622 1.00 2.21 C ATOM 57 OG SER A 6 -1.047 9.554 4.163 1.00 35.02 O ATOM 0 HA SER A 6 -0.579 7.633 2.482 1.00 20.13 H new ATOM 0 HB2 SER A 6 0.816 8.696 4.347 1.00 2.21 H new ATOM 0 HB3 SER A 6 0.770 10.190 3.432 1.00 2.21 H new ATOM 0 HG SER A 6 -1.221 10.516 4.091 1.00 35.02 H new ATOM 63 N VAL A 7 -1.570 10.006 1.500 1.00 1.34 N ATOM 64 CA VAL A 7 -2.206 10.889 0.529 1.00 43.14 C ATOM 65 C VAL A 7 -1.335 12.104 0.238 1.00 41.30 C ATOM 66 O VAL A 7 -1.091 12.444 -0.921 1.00 44.44 O ATOM 67 CB VAL A 7 -3.585 11.366 1.024 1.00 70.22 C ATOM 68 CG1 VAL A 7 -4.165 12.401 0.073 1.00 54.22 C ATOM 69 CG2 VAL A 7 -4.532 10.186 1.183 1.00 34.45 C ATOM 0 H VAL A 7 -2.057 9.942 2.394 1.00 1.34 H new ATOM 0 HA VAL A 7 -2.336 10.312 -0.386 1.00 43.14 H new ATOM 0 HB VAL A 7 -3.459 11.835 2.000 1.00 70.22 H new ATOM 0 HG11 VAL A 7 -5.139 12.726 0.439 1.00 54.22 H new ATOM 0 HG12 VAL A 7 -3.494 13.258 0.015 1.00 54.22 H new ATOM 0 HG13 VAL A 7 -4.278 11.962 -0.918 1.00 54.22 H new ATOM 0 HG21 VAL A 7 -5.501 10.542 1.533 1.00 34.45 H new ATOM 0 HG22 VAL A 7 -4.655 9.686 0.222 1.00 34.45 H new ATOM 0 HG23 VAL A 7 -4.120 9.484 1.908 1.00 34.45 H new ATOM 79 N LEU A 8 -0.866 12.757 1.296 1.00 0.20 N ATOM 80 CA LEU A 8 -0.020 13.936 1.155 1.00 12.21 C ATOM 81 C LEU A 8 1.369 13.682 1.732 1.00 12.34 C ATOM 82 O LEU A 8 1.508 13.129 2.823 1.00 23.42 O ATOM 83 CB LEU A 8 -0.662 15.137 1.852 1.00 62.14 C ATOM 84 CG LEU A 8 -2.111 15.440 1.469 1.00 22.33 C ATOM 85 CD1 LEU A 8 -2.580 16.726 2.129 1.00 11.35 C ATOM 86 CD2 LEU A 8 -2.255 15.530 -0.044 1.00 54.13 C ATOM 0 H LEU A 8 -1.058 12.489 2.261 1.00 0.20 H new ATOM 0 HA LEU A 8 0.082 14.153 0.092 1.00 12.21 H new ATOM 0 HB2 LEU A 8 -0.619 14.973 2.929 1.00 62.14 H new ATOM 0 HB3 LEU A 8 -0.059 16.020 1.640 1.00 62.14 H new ATOM 0 HG LEU A 8 -2.739 14.624 1.826 1.00 22.33 H new ATOM 0 HD11 LEU A 8 -3.613 16.925 1.845 1.00 11.35 H new ATOM 0 HD12 LEU A 8 -2.515 16.624 3.212 1.00 11.35 H new ATOM 0 HD13 LEU A 8 -1.949 17.553 1.804 1.00 11.35 H new ATOM 0 HD21 LEU A 8 -3.293 15.746 -0.299 1.00 54.13 H new ATOM 0 HD22 LEU A 8 -1.615 16.326 -0.424 1.00 54.13 H new ATOM 0 HD23 LEU A 8 -1.961 14.582 -0.495 1.00 54.13 H new ATOM 98 N SER A 9 2.395 14.091 0.992 1.00 54.25 N ATOM 99 CA SER A 9 3.774 13.906 1.430 1.00 14.30 C ATOM 100 C SER A 9 4.141 14.916 2.514 1.00 64.32 C ATOM 101 O SER A 9 3.274 15.594 3.065 1.00 24.11 O ATOM 102 CB SER A 9 4.731 14.046 0.244 1.00 43.31 C ATOM 103 OG SER A 9 5.237 15.367 0.149 1.00 33.51 O ATOM 0 H SER A 9 2.298 14.552 0.087 1.00 54.25 H new ATOM 0 HA SER A 9 3.865 12.903 1.846 1.00 14.30 H new ATOM 0 HB2 SER A 9 5.557 13.344 0.355 1.00 43.31 H new ATOM 0 HB3 SER A 9 4.212 13.785 -0.678 1.00 43.31 H new ATOM 0 HG SER A 9 5.847 15.429 -0.615 1.00 33.51 H new ATOM 109 N GLY A 10 5.432 15.010 2.816 1.00 21.55 N ATOM 110 CA GLY A 10 5.892 15.937 3.833 1.00 4.22 C ATOM 111 C GLY A 10 5.619 17.382 3.464 1.00 43.43 C ATOM 112 O GLY A 10 4.885 18.080 4.163 1.00 54.33 O ATOM 0 H GLY A 10 6.168 14.460 2.374 1.00 21.55 H new ATOM 0 HA2 GLY A 10 5.401 15.707 4.779 1.00 4.22 H new ATOM 0 HA3 GLY A 10 6.962 15.800 3.988 1.00 4.22 H new ATOM 116 N GLY A 11 6.212 17.834 2.364 1.00 61.20 N ATOM 117 CA GLY A 11 6.017 19.203 1.924 1.00 53.41 C ATOM 118 C GLY A 11 4.558 19.534 1.684 1.00 64.41 C ATOM 119 O GLY A 11 4.110 20.643 1.973 1.00 74.31 O ATOM 0 H GLY A 11 6.825 17.276 1.769 1.00 61.20 H new ATOM 0 HA2 GLY A 11 6.422 19.883 2.673 1.00 53.41 H new ATOM 0 HA3 GLY A 11 6.580 19.369 1.005 1.00 53.41 H new ATOM 123 N GLU A 12 3.814 18.568 1.152 1.00 53.40 N ATOM 124 CA GLU A 12 2.397 18.764 0.870 1.00 50.20 C ATOM 125 C GLU A 12 1.598 18.890 2.164 1.00 24.13 C ATOM 126 O GLU A 12 0.710 19.736 2.279 1.00 43.01 O ATOM 127 CB GLU A 12 1.855 17.604 0.033 1.00 34.13 C ATOM 128 CG GLU A 12 2.765 17.206 -1.117 1.00 14.01 C ATOM 129 CD GLU A 12 2.084 16.282 -2.108 1.00 42.34 C ATOM 130 OE1 GLU A 12 1.818 15.118 -1.745 1.00 30.43 O ATOM 131 OE2 GLU A 12 1.817 16.725 -3.244 1.00 33.24 O ATOM 0 H GLU A 12 4.169 17.643 0.908 1.00 53.40 H new ATOM 0 HA GLU A 12 2.290 19.690 0.305 1.00 50.20 H new ATOM 0 HB2 GLU A 12 1.702 16.740 0.680 1.00 34.13 H new ATOM 0 HB3 GLU A 12 0.879 17.880 -0.366 1.00 34.13 H new ATOM 0 HG2 GLU A 12 3.102 18.103 -1.636 1.00 14.01 H new ATOM 0 HG3 GLU A 12 3.653 16.715 -0.719 1.00 14.01 H new ATOM 138 N LEU A 13 1.918 18.041 3.135 1.00 24.54 N ATOM 139 CA LEU A 13 1.230 18.054 4.421 1.00 52.40 C ATOM 140 C LEU A 13 1.181 19.466 4.997 1.00 63.42 C ATOM 141 O LEU A 13 0.121 19.946 5.399 1.00 5.40 O ATOM 142 CB LEU A 13 1.928 17.114 5.405 1.00 1.20 C ATOM 143 CG LEU A 13 1.197 16.859 6.723 1.00 41.25 C ATOM 144 CD1 LEU A 13 -0.105 16.113 6.477 1.00 42.51 C ATOM 145 CD2 LEU A 13 2.085 16.083 7.684 1.00 24.02 C ATOM 0 H LEU A 13 2.650 17.335 3.056 1.00 24.54 H new ATOM 0 HA LEU A 13 0.208 17.710 4.262 1.00 52.40 H new ATOM 0 HB2 LEU A 13 2.088 16.156 4.910 1.00 1.20 H new ATOM 0 HB3 LEU A 13 2.912 17.524 5.632 1.00 1.20 H new ATOM 0 HG LEU A 13 0.960 17.822 7.176 1.00 41.25 H new ATOM 0 HD11 LEU A 13 -0.611 15.941 7.427 1.00 42.51 H new ATOM 0 HD12 LEU A 13 -0.747 16.707 5.826 1.00 42.51 H new ATOM 0 HD13 LEU A 13 0.108 15.156 6.001 1.00 42.51 H new ATOM 0 HD21 LEU A 13 1.548 15.911 8.617 1.00 24.02 H new ATOM 0 HD22 LEU A 13 2.354 15.126 7.238 1.00 24.02 H new ATOM 0 HD23 LEU A 13 2.990 16.656 7.887 1.00 24.02 H new ATOM 157 N ASP A 14 2.333 20.125 5.031 1.00 52.41 N ATOM 158 CA ASP A 14 2.421 21.484 5.554 1.00 74.25 C ATOM 159 C ASP A 14 1.453 22.411 4.827 1.00 4.13 C ATOM 160 O ASP A 14 0.613 23.063 5.449 1.00 13.33 O ATOM 161 CB ASP A 14 3.850 22.013 5.421 1.00 53.44 C ATOM 162 CG ASP A 14 4.357 22.641 6.705 1.00 62.21 C ATOM 163 OD1 ASP A 14 3.556 23.301 7.399 1.00 31.41 O ATOM 164 OD2 ASP A 14 5.555 22.472 7.016 1.00 2.03 O ATOM 0 H ASP A 14 3.219 19.741 4.703 1.00 52.41 H new ATOM 0 HA ASP A 14 2.148 21.459 6.609 1.00 74.25 H new ATOM 0 HB2 ASP A 14 4.512 21.196 5.134 1.00 53.44 H new ATOM 0 HB3 ASP A 14 3.888 22.751 4.619 1.00 53.44 H new ATOM 169 N LYS A 15 1.574 22.465 3.505 1.00 54.21 N ATOM 170 CA LYS A 15 0.711 23.312 2.691 1.00 0.22 C ATOM 171 C LYS A 15 -0.759 22.979 2.929 1.00 51.02 C ATOM 172 O LYS A 15 -1.599 23.874 3.029 1.00 31.34 O ATOM 173 CB LYS A 15 1.048 23.144 1.207 1.00 51.41 C ATOM 174 CG LYS A 15 1.644 24.389 0.574 1.00 74.23 C ATOM 175 CD LYS A 15 1.417 24.415 -0.927 1.00 0.25 C ATOM 176 CE LYS A 15 1.927 25.707 -1.546 1.00 30.54 C ATOM 177 NZ LYS A 15 1.340 25.946 -2.894 1.00 21.43 N ATOM 0 H LYS A 15 2.262 21.931 2.974 1.00 54.21 H new ATOM 0 HA LYS A 15 0.883 24.348 2.982 1.00 0.22 H new ATOM 0 HB2 LYS A 15 1.750 22.318 1.094 1.00 51.41 H new ATOM 0 HB3 LYS A 15 0.142 22.870 0.666 1.00 51.41 H new ATOM 0 HG2 LYS A 15 1.199 25.276 1.025 1.00 74.23 H new ATOM 0 HG3 LYS A 15 2.713 24.427 0.782 1.00 74.23 H new ATOM 0 HD2 LYS A 15 1.922 23.566 -1.387 1.00 0.25 H new ATOM 0 HD3 LYS A 15 0.353 24.305 -1.137 1.00 0.25 H new ATOM 0 HE2 LYS A 15 1.685 26.544 -0.891 1.00 30.54 H new ATOM 0 HE3 LYS A 15 3.013 25.668 -1.625 1.00 30.54 H new ATOM 0 HZ1 LYS A 15 1.763 26.800 -3.311 1.00 21.43 H new ATOM 0 HZ2 LYS A 15 1.534 25.129 -3.507 1.00 21.43 H new ATOM 0 HZ3 LYS A 15 0.312 26.077 -2.807 1.00 21.43 H new ATOM 191 N TRP A 16 -1.061 21.689 3.021 1.00 11.20 N ATOM 192 CA TRP A 16 -2.430 21.240 3.250 1.00 75.52 C ATOM 193 C TRP A 16 -3.030 21.924 4.472 1.00 70.15 C ATOM 194 O TRP A 16 -4.140 22.452 4.415 1.00 44.10 O ATOM 195 CB TRP A 16 -2.465 19.720 3.432 1.00 51.50 C ATOM 196 CG TRP A 16 -3.810 19.204 3.844 1.00 34.35 C ATOM 197 CD1 TRP A 16 -4.182 18.791 5.091 1.00 42.22 C ATOM 198 CD2 TRP A 16 -4.959 19.041 3.005 1.00 71.03 C ATOM 199 NE1 TRP A 16 -5.494 18.382 5.079 1.00 45.23 N ATOM 200 CE2 TRP A 16 -5.993 18.527 3.812 1.00 31.02 C ATOM 201 CE3 TRP A 16 -5.216 19.282 1.653 1.00 40.23 C ATOM 202 CZ2 TRP A 16 -7.261 18.250 3.308 1.00 23.55 C ATOM 203 CZ3 TRP A 16 -6.474 19.006 1.155 1.00 25.24 C ATOM 204 CH2 TRP A 16 -7.485 18.494 1.980 1.00 51.44 C ATOM 0 H TRP A 16 -0.378 20.936 2.941 1.00 11.20 H new ATOM 0 HA TRP A 16 -3.026 21.509 2.378 1.00 75.52 H new ATOM 0 HB2 TRP A 16 -2.171 19.242 2.498 1.00 51.50 H new ATOM 0 HB3 TRP A 16 -1.728 19.434 4.182 1.00 51.50 H new ATOM 0 HD1 TRP A 16 -3.540 18.786 5.959 1.00 42.22 H new ATOM 0 HE1 TRP A 16 -6.012 18.028 5.883 1.00 45.23 H new ATOM 0 HE3 TRP A 16 -4.444 19.677 1.009 1.00 40.23 H new ATOM 0 HZ2 TRP A 16 -8.041 17.856 3.943 1.00 23.55 H new ATOM 0 HZ3 TRP A 16 -6.683 19.188 0.111 1.00 25.24 H new ATOM 0 HH2 TRP A 16 -8.459 18.288 1.560 1.00 51.44 H new ATOM 215 N GLU A 17 -2.290 21.911 5.576 1.00 42.20 N ATOM 216 CA GLU A 17 -2.753 22.532 6.813 1.00 20.33 C ATOM 217 C GLU A 17 -2.880 24.043 6.648 1.00 10.32 C ATOM 218 O GLU A 17 -3.526 24.715 7.452 1.00 50.53 O ATOM 219 CB GLU A 17 -1.793 22.212 7.960 1.00 54.22 C ATOM 220 CG GLU A 17 -1.903 20.783 8.465 1.00 74.13 C ATOM 221 CD GLU A 17 -1.180 20.572 9.781 1.00 52.10 C ATOM 222 OE1 GLU A 17 -1.479 21.304 10.747 1.00 2.22 O ATOM 223 OE2 GLU A 17 -0.314 19.673 9.844 1.00 41.41 O ATOM 0 H GLU A 17 -1.369 21.478 5.640 1.00 42.20 H new ATOM 0 HA GLU A 17 -3.737 22.126 7.048 1.00 20.33 H new ATOM 0 HB2 GLU A 17 -0.771 22.394 7.628 1.00 54.22 H new ATOM 0 HB3 GLU A 17 -1.986 22.896 8.786 1.00 54.22 H new ATOM 0 HG2 GLU A 17 -2.955 20.525 8.587 1.00 74.13 H new ATOM 0 HG3 GLU A 17 -1.493 20.105 7.717 1.00 74.13 H new ATOM 230 N LYS A 18 -2.258 24.573 5.600 1.00 4.31 N ATOM 231 CA LYS A 18 -2.300 26.005 5.327 1.00 4.20 C ATOM 232 C LYS A 18 -3.683 26.424 4.835 1.00 40.32 C ATOM 233 O LYS A 18 -4.414 27.127 5.534 1.00 74.23 O ATOM 234 CB LYS A 18 -1.242 26.379 4.287 1.00 25.03 C ATOM 235 CG LYS A 18 -0.846 27.844 4.321 1.00 2.00 C ATOM 236 CD LYS A 18 -0.669 28.408 2.921 1.00 25.31 C ATOM 237 CE LYS A 18 -1.088 29.869 2.851 1.00 34.41 C ATOM 238 NZ LYS A 18 -1.265 30.328 1.445 1.00 53.05 N ATOM 0 H LYS A 18 -1.718 24.031 4.925 1.00 4.31 H new ATOM 0 HA LYS A 18 -2.088 26.533 6.257 1.00 4.20 H new ATOM 0 HB2 LYS A 18 -0.354 25.768 4.448 1.00 25.03 H new ATOM 0 HB3 LYS A 18 -1.620 26.137 3.294 1.00 25.03 H new ATOM 0 HG2 LYS A 18 -1.608 28.415 4.850 1.00 2.00 H new ATOM 0 HG3 LYS A 18 0.083 27.958 4.880 1.00 2.00 H new ATOM 0 HD2 LYS A 18 0.374 28.313 2.618 1.00 25.31 H new ATOM 0 HD3 LYS A 18 -1.260 27.825 2.215 1.00 25.31 H new ATOM 0 HE2 LYS A 18 -2.021 30.006 3.398 1.00 34.41 H new ATOM 0 HE3 LYS A 18 -0.336 30.486 3.343 1.00 34.41 H new ATOM 0 HZ1 LYS A 18 -1.550 31.328 1.440 1.00 53.05 H new ATOM 0 HZ2 LYS A 18 -0.368 30.221 0.929 1.00 53.05 H new ATOM 0 HZ3 LYS A 18 -2.000 29.756 0.983 1.00 53.05 H new ATOM 252 N ILE A 19 -4.034 25.988 3.631 1.00 24.34 N ATOM 253 CA ILE A 19 -5.330 26.316 3.048 1.00 13.40 C ATOM 254 C ILE A 19 -6.451 26.141 4.066 1.00 41.44 C ATOM 255 O ILE A 19 -6.387 25.267 4.931 1.00 44.32 O ATOM 256 CB ILE A 19 -5.630 25.444 1.815 1.00 23.21 C ATOM 257 CG1 ILE A 19 -4.511 25.582 0.780 1.00 70.12 C ATOM 258 CG2 ILE A 19 -6.971 25.828 1.208 1.00 44.32 C ATOM 259 CD1 ILE A 19 -4.205 24.296 0.046 1.00 24.42 C ATOM 0 H ILE A 19 -3.440 25.407 3.040 1.00 24.34 H new ATOM 0 HA ILE A 19 -5.282 27.361 2.740 1.00 13.40 H new ATOM 0 HB ILE A 19 -5.681 24.402 2.130 1.00 23.21 H new ATOM 0 HG12 ILE A 19 -4.790 26.347 0.055 1.00 70.12 H new ATOM 0 HG13 ILE A 19 -3.607 25.930 1.279 1.00 70.12 H new ATOM 0 HG21 ILE A 19 -7.169 25.203 0.337 1.00 44.32 H new ATOM 0 HG22 ILE A 19 -7.760 25.682 1.946 1.00 44.32 H new ATOM 0 HG23 ILE A 19 -6.947 26.875 0.905 1.00 44.32 H new ATOM 0 HD11 ILE A 19 -3.403 24.469 -0.671 1.00 24.42 H new ATOM 0 HD12 ILE A 19 -3.895 23.534 0.761 1.00 24.42 H new ATOM 0 HD13 ILE A 19 -5.097 23.957 -0.482 1.00 24.42 H new ATOM 271 N ARG A 20 -7.478 26.977 3.957 1.00 52.42 N ATOM 272 CA ARG A 20 -8.615 26.915 4.868 1.00 62.32 C ATOM 273 C ARG A 20 -9.879 26.481 4.131 1.00 71.30 C ATOM 274 O ARG A 20 -9.965 26.588 2.907 1.00 73.53 O ATOM 275 CB ARG A 20 -8.839 28.274 5.531 1.00 3.20 C ATOM 276 CG ARG A 20 -8.121 28.430 6.861 1.00 62.21 C ATOM 277 CD ARG A 20 -8.033 29.890 7.280 1.00 62.40 C ATOM 278 NE ARG A 20 -7.342 30.704 6.283 1.00 72.03 N ATOM 279 CZ ARG A 20 -7.408 32.030 6.244 1.00 42.15 C ATOM 280 NH1 ARG A 20 -8.129 32.688 7.142 1.00 22.24 N ATOM 281 NH2 ARG A 20 -6.750 32.700 5.307 1.00 11.10 N ATOM 0 H ARG A 20 -7.546 27.706 3.247 1.00 52.42 H new ATOM 0 HA ARG A 20 -8.392 26.176 5.638 1.00 62.32 H new ATOM 0 HB2 ARG A 20 -8.504 29.059 4.853 1.00 3.20 H new ATOM 0 HB3 ARG A 20 -9.908 28.421 5.686 1.00 3.20 H new ATOM 0 HG2 ARG A 20 -8.647 27.861 7.628 1.00 62.21 H new ATOM 0 HG3 ARG A 20 -7.118 28.011 6.785 1.00 62.21 H new ATOM 0 HD2 ARG A 20 -9.037 30.284 7.437 1.00 62.40 H new ATOM 0 HD3 ARG A 20 -7.510 29.963 8.233 1.00 62.40 H new ATOM 0 HE ARG A 20 -6.778 30.228 5.579 1.00 72.03 H new ATOM 0 HH11 ARG A 20 -8.634 32.176 7.865 1.00 22.24 H new ATOM 0 HH12 ARG A 20 -8.178 33.706 7.110 1.00 22.24 H new ATOM 0 HH21 ARG A 20 -6.193 32.197 4.616 1.00 11.10 H new ATOM 0 HH22 ARG A 20 -6.801 33.718 5.277 1.00 11.10 H new ATOM 295 N LEU A 21 -10.857 25.990 4.884 1.00 74.11 N ATOM 296 CA LEU A 21 -12.117 25.540 4.304 1.00 32.53 C ATOM 297 C LEU A 21 -12.924 26.718 3.771 1.00 43.50 C ATOM 298 O LEU A 21 -13.584 26.615 2.737 1.00 21.24 O ATOM 299 CB LEU A 21 -12.937 24.774 5.345 1.00 53.20 C ATOM 300 CG LEU A 21 -12.253 23.562 5.978 1.00 61.33 C ATOM 301 CD1 LEU A 21 -12.926 23.196 7.291 1.00 43.15 C ATOM 302 CD2 LEU A 21 -12.271 22.379 5.021 1.00 32.02 C ATOM 0 H LEU A 21 -10.801 25.893 5.898 1.00 74.11 H new ATOM 0 HA LEU A 21 -11.887 24.875 3.471 1.00 32.53 H new ATOM 0 HB2 LEU A 21 -13.215 25.466 6.140 1.00 53.20 H new ATOM 0 HB3 LEU A 21 -13.862 24.440 4.875 1.00 53.20 H new ATOM 0 HG LEU A 21 -11.215 23.822 6.184 1.00 61.33 H new ATOM 0 HD11 LEU A 21 -12.426 22.331 7.727 1.00 43.15 H new ATOM 0 HD12 LEU A 21 -12.862 24.038 7.980 1.00 43.15 H new ATOM 0 HD13 LEU A 21 -13.973 22.956 7.108 1.00 43.15 H new ATOM 0 HD21 LEU A 21 -11.780 21.525 5.488 1.00 32.02 H new ATOM 0 HD22 LEU A 21 -13.302 22.119 4.783 1.00 32.02 H new ATOM 0 HD23 LEU A 21 -11.743 22.644 4.105 1.00 32.02 H new ATOM 314 N ARG A 22 -12.865 27.839 4.482 1.00 54.15 N ATOM 315 CA ARG A 22 -13.589 29.039 4.080 1.00 64.22 C ATOM 316 C ARG A 22 -12.629 30.204 3.855 1.00 31.11 C ATOM 317 O ARG A 22 -11.520 30.238 4.387 1.00 52.21 O ATOM 318 CB ARG A 22 -14.624 29.415 5.142 1.00 54.34 C ATOM 319 CG ARG A 22 -16.052 29.074 4.748 1.00 70.45 C ATOM 320 CD ARG A 22 -17.004 30.217 5.063 1.00 23.33 C ATOM 321 NE ARG A 22 -18.309 29.735 5.509 1.00 74.22 N ATOM 322 CZ ARG A 22 -19.244 29.277 4.685 1.00 44.44 C ATOM 323 NH1 ARG A 22 -19.021 29.239 3.379 1.00 61.22 N ATOM 324 NH2 ARG A 22 -20.407 28.856 5.168 1.00 63.10 N ATOM 0 H ARG A 22 -12.323 27.941 5.340 1.00 54.15 H new ATOM 0 HA ARG A 22 -14.101 28.827 3.142 1.00 64.22 H new ATOM 0 HB2 ARG A 22 -14.380 28.902 6.072 1.00 54.34 H new ATOM 0 HB3 ARG A 22 -14.556 30.485 5.341 1.00 54.34 H new ATOM 0 HG2 ARG A 22 -16.093 28.848 3.682 1.00 70.45 H new ATOM 0 HG3 ARG A 22 -16.372 28.176 5.277 1.00 70.45 H new ATOM 0 HD2 ARG A 22 -16.568 30.850 5.836 1.00 23.33 H new ATOM 0 HD3 ARG A 22 -17.131 30.838 4.176 1.00 23.33 H new ATOM 0 HE ARG A 22 -18.513 29.751 6.508 1.00 74.22 H new ATOM 0 HH11 ARG A 22 -18.129 29.562 3.004 1.00 61.22 H new ATOM 0 HH12 ARG A 22 -19.741 28.887 2.749 1.00 61.22 H new ATOM 0 HH21 ARG A 22 -20.582 28.884 6.172 1.00 63.10 H new ATOM 0 HH22 ARG A 22 -21.125 28.504 4.535 1.00 63.10 H new ATOM 338 N PRO A 23 -13.065 31.181 3.046 1.00 51.41 N ATOM 339 CA PRO A 23 -12.260 32.365 2.732 1.00 12.14 C ATOM 340 C PRO A 23 -12.102 33.294 3.930 1.00 71.10 C ATOM 341 O PRO A 23 -11.020 33.823 4.179 1.00 13.23 O ATOM 342 CB PRO A 23 -13.060 33.054 1.623 1.00 42.42 C ATOM 343 CG PRO A 23 -14.465 32.606 1.836 1.00 33.10 C ATOM 344 CD PRO A 23 -14.376 31.205 2.377 1.00 10.35 C ATOM 0 HA PRO A 23 -11.243 32.101 2.442 1.00 12.14 H new ATOM 0 HB2 PRO A 23 -12.976 34.139 1.689 1.00 42.42 H new ATOM 0 HB3 PRO A 23 -12.698 32.766 0.636 1.00 42.42 H new ATOM 0 HG2 PRO A 23 -14.982 33.262 2.536 1.00 33.10 H new ATOM 0 HG3 PRO A 23 -15.028 32.629 0.903 1.00 33.10 H new ATOM 0 HD2 PRO A 23 -15.187 30.991 3.074 1.00 10.35 H new ATOM 0 HD3 PRO A 23 -14.435 30.462 1.581 1.00 10.35 H new ATOM 352 N GLY A 24 -13.188 33.487 4.670 1.00 45.23 N ATOM 353 CA GLY A 24 -13.149 34.353 5.835 1.00 21.02 C ATOM 354 C GLY A 24 -13.276 33.583 7.135 1.00 30.55 C ATOM 355 O GLY A 24 -13.830 34.086 8.111 1.00 11.14 O ATOM 0 H GLY A 24 -14.095 33.059 4.484 1.00 45.23 H new ATOM 0 HA2 GLY A 24 -12.213 34.912 5.837 1.00 21.02 H new ATOM 0 HA3 GLY A 24 -13.956 35.083 5.768 1.00 21.02 H new ATOM 359 N GLY A 25 -12.764 32.356 7.146 1.00 21.40 N ATOM 360 CA GLY A 25 -12.835 31.533 8.340 1.00 55.43 C ATOM 361 C GLY A 25 -11.493 31.397 9.031 1.00 32.15 C ATOM 362 O GLY A 25 -10.503 31.992 8.604 1.00 35.43 O ATOM 0 H GLY A 25 -12.301 31.917 6.350 1.00 21.40 H new ATOM 0 HA2 GLY A 25 -13.555 31.966 9.034 1.00 55.43 H new ATOM 0 HA3 GLY A 25 -13.205 30.543 8.074 1.00 55.43 H new ATOM 366 N LYS A 26 -11.457 30.612 10.102 1.00 64.10 N ATOM 367 CA LYS A 26 -10.227 30.399 10.855 1.00 64.40 C ATOM 368 C LYS A 26 -9.890 28.913 10.936 1.00 71.13 C ATOM 369 O LYS A 26 -8.847 28.530 11.469 1.00 1.11 O ATOM 370 CB LYS A 26 -10.360 30.980 12.264 1.00 3.11 C ATOM 371 CG LYS A 26 -10.396 32.498 12.295 1.00 24.20 C ATOM 372 CD LYS A 26 -9.027 33.082 12.600 1.00 42.34 C ATOM 373 CE LYS A 26 -8.702 32.992 14.084 1.00 12.54 C ATOM 374 NZ LYS A 26 -9.003 34.266 14.796 1.00 23.31 N ATOM 0 H LYS A 26 -12.267 30.112 10.469 1.00 64.10 H new ATOM 0 HA LYS A 26 -9.418 30.910 10.333 1.00 64.40 H new ATOM 0 HB2 LYS A 26 -11.270 30.594 12.723 1.00 3.11 H new ATOM 0 HB3 LYS A 26 -9.525 30.632 12.872 1.00 3.11 H new ATOM 0 HG2 LYS A 26 -10.747 32.874 11.334 1.00 24.20 H new ATOM 0 HG3 LYS A 26 -11.110 32.831 13.048 1.00 24.20 H new ATOM 0 HD2 LYS A 26 -8.267 32.550 12.027 1.00 42.34 H new ATOM 0 HD3 LYS A 26 -8.995 34.124 12.282 1.00 42.34 H new ATOM 0 HE2 LYS A 26 -9.275 32.181 14.533 1.00 12.54 H new ATOM 0 HE3 LYS A 26 -7.648 32.745 14.211 1.00 12.54 H new ATOM 0 HZ1 LYS A 26 -8.768 34.164 15.804 1.00 23.31 H new ATOM 0 HZ2 LYS A 26 -8.437 35.036 14.385 1.00 23.31 H new ATOM 0 HZ3 LYS A 26 -10.014 34.489 14.697 1.00 23.31 H new ATOM 388 N LYS A 27 -10.776 28.079 10.403 1.00 3.43 N ATOM 389 CA LYS A 27 -10.573 26.635 10.413 1.00 14.34 C ATOM 390 C LYS A 27 -9.769 26.192 9.194 1.00 2.42 C ATOM 391 O LYS A 27 -10.250 26.261 8.063 1.00 44.42 O ATOM 392 CB LYS A 27 -11.919 25.910 10.440 1.00 72.00 C ATOM 393 CG LYS A 27 -11.869 24.563 11.140 1.00 24.53 C ATOM 394 CD LYS A 27 -13.111 23.736 10.849 1.00 51.51 C ATOM 395 CE LYS A 27 -13.298 22.630 11.876 1.00 54.00 C ATOM 396 NZ LYS A 27 -13.590 21.320 11.232 1.00 25.44 N ATOM 0 H LYS A 27 -11.643 28.379 9.958 1.00 3.43 H new ATOM 0 HA LYS A 27 -10.012 26.378 11.311 1.00 14.34 H new ATOM 0 HB2 LYS A 27 -12.653 26.543 10.939 1.00 72.00 H new ATOM 0 HB3 LYS A 27 -12.265 25.766 9.417 1.00 72.00 H new ATOM 0 HG2 LYS A 27 -10.983 24.017 10.816 1.00 24.53 H new ATOM 0 HG3 LYS A 27 -11.775 24.714 12.215 1.00 24.53 H new ATOM 0 HD2 LYS A 27 -13.988 24.383 10.846 1.00 51.51 H new ATOM 0 HD3 LYS A 27 -13.034 23.300 9.853 1.00 51.51 H new ATOM 0 HE2 LYS A 27 -12.398 22.543 12.484 1.00 54.00 H new ATOM 0 HE3 LYS A 27 -14.114 22.894 12.549 1.00 54.00 H new ATOM 0 HZ1 LYS A 27 -13.711 20.592 11.965 1.00 25.44 H new ATOM 0 HZ2 LYS A 27 -14.463 21.396 10.672 1.00 25.44 H new ATOM 0 HZ3 LYS A 27 -12.800 21.056 10.609 1.00 25.44 H new ATOM 410 N GLN A 28 -8.544 25.736 9.433 1.00 73.02 N ATOM 411 CA GLN A 28 -7.675 25.280 8.354 1.00 51.30 C ATOM 412 C GLN A 28 -7.957 23.823 8.007 1.00 30.23 C ATOM 413 O GLN A 28 -8.794 23.175 8.635 1.00 45.11 O ATOM 414 CB GLN A 28 -6.206 25.448 8.749 1.00 2.53 C ATOM 415 CG GLN A 28 -5.921 26.739 9.498 1.00 44.13 C ATOM 416 CD GLN A 28 -5.685 26.515 10.979 1.00 61.45 C ATOM 417 OE1 GLN A 28 -5.021 25.555 11.374 1.00 52.13 O ATOM 418 NE2 GLN A 28 -6.228 27.399 11.807 1.00 12.43 N ATOM 0 H GLN A 28 -8.131 25.672 10.363 1.00 73.02 H new ATOM 0 HA GLN A 28 -7.880 25.890 7.474 1.00 51.30 H new ATOM 0 HB2 GLN A 28 -5.907 24.604 9.370 1.00 2.53 H new ATOM 0 HB3 GLN A 28 -5.591 25.416 7.850 1.00 2.53 H new ATOM 0 HG2 GLN A 28 -5.045 27.221 9.063 1.00 44.13 H new ATOM 0 HG3 GLN A 28 -6.759 27.423 9.367 1.00 44.13 H new ATOM 0 HE21 GLN A 28 -6.770 28.179 11.436 1.00 12.43 H new ATOM 0 HE22 GLN A 28 -6.103 27.298 12.814 1.00 12.43 H new ATOM 427 N TYR A 29 -7.252 23.312 7.002 1.00 42.45 N ATOM 428 CA TYR A 29 -7.429 21.931 6.570 1.00 24.12 C ATOM 429 C TYR A 29 -6.654 20.974 7.470 1.00 50.20 C ATOM 430 O TYR A 29 -5.537 21.271 7.898 1.00 5.02 O ATOM 431 CB TYR A 29 -6.972 21.767 5.120 1.00 2.45 C ATOM 432 CG TYR A 29 -8.106 21.801 4.120 1.00 23.52 C ATOM 433 CD1 TYR A 29 -9.046 20.778 4.072 1.00 11.24 C ATOM 434 CD2 TYR A 29 -8.237 22.854 3.223 1.00 33.12 C ATOM 435 CE1 TYR A 29 -10.084 20.805 3.160 1.00 35.34 C ATOM 436 CE2 TYR A 29 -9.273 22.889 2.308 1.00 54.55 C ATOM 437 CZ TYR A 29 -10.192 21.862 2.281 1.00 44.02 C ATOM 438 OH TYR A 29 -11.224 21.893 1.371 1.00 21.00 O ATOM 0 H TYR A 29 -6.554 23.834 6.472 1.00 42.45 H new ATOM 0 HA TYR A 29 -8.489 21.688 6.641 1.00 24.12 H new ATOM 0 HB2 TYR A 29 -6.263 22.559 4.880 1.00 2.45 H new ATOM 0 HB3 TYR A 29 -6.439 20.821 5.021 1.00 2.45 H new ATOM 0 HD1 TYR A 29 -8.964 19.948 4.759 1.00 11.24 H new ATOM 0 HD2 TYR A 29 -7.517 23.659 3.241 1.00 33.12 H new ATOM 0 HE1 TYR A 29 -10.807 20.003 3.136 1.00 35.34 H new ATOM 0 HE2 TYR A 29 -9.362 23.716 1.619 1.00 54.55 H new ATOM 0 HH TYR A 29 -12.070 22.051 1.841 1.00 21.00 H new ATOM 448 N LYS A 30 -7.253 19.823 7.755 1.00 3.42 N ATOM 449 CA LYS A 30 -6.621 18.820 8.603 1.00 22.02 C ATOM 450 C LYS A 30 -6.843 17.418 8.045 1.00 25.04 C ATOM 451 O LYS A 30 -7.665 17.218 7.148 1.00 73.10 O ATOM 452 CB LYS A 30 -7.171 18.906 10.028 1.00 63.31 C ATOM 453 CG LYS A 30 -6.093 19.006 11.092 1.00 72.01 C ATOM 454 CD LYS A 30 -5.827 20.450 11.483 1.00 13.31 C ATOM 455 CE LYS A 30 -6.743 20.900 12.610 1.00 2.43 C ATOM 456 NZ LYS A 30 -7.784 21.853 12.131 1.00 23.41 N ATOM 0 H LYS A 30 -8.177 19.562 7.410 1.00 3.42 H new ATOM 0 HA LYS A 30 -5.550 19.020 8.621 1.00 22.02 H new ATOM 0 HB2 LYS A 30 -7.826 19.774 10.104 1.00 63.31 H new ATOM 0 HB3 LYS A 30 -7.784 18.026 10.225 1.00 63.31 H new ATOM 0 HG2 LYS A 30 -6.396 18.440 11.973 1.00 72.01 H new ATOM 0 HG3 LYS A 30 -5.173 18.553 10.723 1.00 72.01 H new ATOM 0 HD2 LYS A 30 -4.787 20.559 11.792 1.00 13.31 H new ATOM 0 HD3 LYS A 30 -5.971 21.095 10.616 1.00 13.31 H new ATOM 0 HE2 LYS A 30 -7.225 20.030 13.056 1.00 2.43 H new ATOM 0 HE3 LYS A 30 -6.150 21.373 13.393 1.00 2.43 H new ATOM 0 HZ1 LYS A 30 -8.356 22.176 12.937 1.00 23.41 H new ATOM 0 HZ2 LYS A 30 -7.325 22.671 11.682 1.00 23.41 H new ATOM 0 HZ3 LYS A 30 -8.398 21.378 11.439 1.00 23.41 H new ATOM 470 N LEU A 31 -6.108 16.449 8.580 1.00 63.31 N ATOM 471 CA LEU A 31 -6.227 15.064 8.137 1.00 12.14 C ATOM 472 C LEU A 31 -7.688 14.628 8.096 1.00 40.24 C ATOM 473 O LEU A 31 -8.107 13.903 7.194 1.00 12.15 O ATOM 474 CB LEU A 31 -5.432 14.142 9.063 1.00 3.32 C ATOM 475 CG LEU A 31 -4.473 13.168 8.378 1.00 12.34 C ATOM 476 CD1 LEU A 31 -3.355 13.925 7.678 1.00 34.12 C ATOM 477 CD2 LEU A 31 -3.902 12.183 9.388 1.00 20.25 C ATOM 0 H LEU A 31 -5.423 16.597 9.321 1.00 63.31 H new ATOM 0 HA LEU A 31 -5.819 14.995 7.128 1.00 12.14 H new ATOM 0 HB2 LEU A 31 -4.858 14.760 9.753 1.00 3.32 H new ATOM 0 HB3 LEU A 31 -6.137 13.566 9.662 1.00 3.32 H new ATOM 0 HG LEU A 31 -5.029 12.606 7.628 1.00 12.34 H new ATOM 0 HD11 LEU A 31 -2.682 13.216 7.196 1.00 34.12 H new ATOM 0 HD12 LEU A 31 -3.781 14.590 6.926 1.00 34.12 H new ATOM 0 HD13 LEU A 31 -2.800 14.512 8.409 1.00 34.12 H new ATOM 0 HD21 LEU A 31 -3.222 11.497 8.883 1.00 20.25 H new ATOM 0 HD22 LEU A 31 -3.360 12.728 10.161 1.00 20.25 H new ATOM 0 HD23 LEU A 31 -4.715 11.617 9.844 1.00 20.25 H new ATOM 489 N LYS A 32 -8.461 15.077 9.081 1.00 30.34 N ATOM 490 CA LYS A 32 -9.876 14.736 9.157 1.00 43.21 C ATOM 491 C LYS A 32 -10.554 14.915 7.802 1.00 53.01 C ATOM 492 O LYS A 32 -11.238 14.015 7.315 1.00 32.03 O ATOM 493 CB LYS A 32 -10.574 15.604 10.207 1.00 4.02 C ATOM 494 CG LYS A 32 -10.878 14.868 11.500 1.00 52.32 C ATOM 495 CD LYS A 32 -10.903 15.816 12.688 1.00 43.23 C ATOM 496 CE LYS A 32 -11.668 15.220 13.859 1.00 42.43 C ATOM 497 NZ LYS A 32 -11.232 15.801 15.159 1.00 40.02 N ATOM 0 H LYS A 32 -8.130 15.677 9.837 1.00 30.34 H new ATOM 0 HA LYS A 32 -9.956 13.688 9.447 1.00 43.21 H new ATOM 0 HB2 LYS A 32 -9.946 16.467 10.429 1.00 4.02 H new ATOM 0 HB3 LYS A 32 -11.505 15.987 9.789 1.00 4.02 H new ATOM 0 HG2 LYS A 32 -11.841 14.364 11.415 1.00 52.32 H new ATOM 0 HG3 LYS A 32 -10.127 14.095 11.665 1.00 52.32 H new ATOM 0 HD2 LYS A 32 -9.882 16.042 12.996 1.00 43.23 H new ATOM 0 HD3 LYS A 32 -11.363 16.759 12.393 1.00 43.23 H new ATOM 0 HE2 LYS A 32 -12.735 15.395 13.723 1.00 42.43 H new ATOM 0 HE3 LYS A 32 -11.522 14.140 13.877 1.00 42.43 H new ATOM 0 HZ1 LYS A 32 -11.777 15.369 15.932 1.00 40.02 H new ATOM 0 HZ2 LYS A 32 -10.219 15.612 15.301 1.00 40.02 H new ATOM 0 HZ3 LYS A 32 -11.395 16.828 15.152 1.00 40.02 H new ATOM 511 N HIS A 33 -10.358 16.083 7.197 1.00 14.21 N ATOM 512 CA HIS A 33 -10.947 16.380 5.896 1.00 60.43 C ATOM 513 C HIS A 33 -10.466 15.387 4.842 1.00 75.43 C ATOM 514 O HIS A 33 -11.261 15.069 3.958 1.00 43.42 O ATOM 515 CB HIS A 33 -10.597 17.805 5.466 1.00 64.13 C ATOM 516 CG HIS A 33 -10.928 18.839 6.499 1.00 71.23 C ATOM 517 ND1 HIS A 33 -10.009 19.753 6.969 1.00 74.42 N ATOM 518 CD2 HIS A 33 -12.084 19.101 7.152 1.00 41.30 C ATOM 519 CE1 HIS A 33 -10.585 20.532 7.867 1.00 70.34 C ATOM 520 NE2 HIS A 33 -11.845 20.158 7.995 1.00 64.55 N ATOM 0 H HIS A 33 -9.796 16.839 7.587 1.00 14.21 H new ATOM 0 HA HIS A 33 -12.030 16.291 5.987 1.00 60.43 H new ATOM 0 HB2 HIS A 33 -9.532 17.857 5.240 1.00 64.13 H new ATOM 0 HB3 HIS A 33 -11.130 18.039 4.545 1.00 64.13 H new ATOM 0 HD2 HIS A 33 -13.020 18.576 7.032 1.00 41.30 H new ATOM 0 HE1 HIS A 33 -10.107 21.337 8.405 1.00 70.34 H new ATOM 0 HE2 HIS A 33 -12.530 20.585 8.619 1.00 64.55 H new ATOM 528 N ILE A 34 -9.229 14.905 4.910 1.00 31.32 N ATOM 529 CA ILE A 34 -8.725 13.954 3.928 1.00 22.52 C ATOM 530 C ILE A 34 -9.344 12.574 4.129 1.00 40.15 C ATOM 531 O ILE A 34 -10.142 12.114 3.312 1.00 50.40 O ATOM 532 CB ILE A 34 -7.191 13.831 3.998 1.00 22.32 C ATOM 533 CG1 ILE A 34 -6.547 15.217 4.016 1.00 11.31 C ATOM 534 CG2 ILE A 34 -6.672 13.014 2.824 1.00 13.22 C ATOM 535 CD1 ILE A 34 -5.047 15.185 4.213 1.00 50.30 C ATOM 0 H ILE A 34 -8.558 15.158 5.635 1.00 31.32 H new ATOM 0 HA ILE A 34 -9.006 14.336 2.947 1.00 22.52 H new ATOM 0 HB ILE A 34 -6.924 13.316 4.921 1.00 22.32 H new ATOM 0 HG12 ILE A 34 -6.771 15.725 3.078 1.00 11.31 H new ATOM 0 HG13 ILE A 34 -6.997 15.808 4.814 1.00 11.31 H new ATOM 0 HG21 ILE A 34 -5.587 12.936 2.887 1.00 13.22 H new ATOM 0 HG22 ILE A 34 -7.110 12.016 2.853 1.00 13.22 H new ATOM 0 HG23 ILE A 34 -6.947 13.504 1.890 1.00 13.22 H new ATOM 0 HD11 ILE A 34 -4.659 16.203 4.215 1.00 50.30 H new ATOM 0 HD12 ILE A 34 -4.815 14.706 5.164 1.00 50.30 H new ATOM 0 HD13 ILE A 34 -4.585 14.622 3.402 1.00 50.30 H new ATOM 547 N VAL A 35 -8.973 11.920 5.225 1.00 60.02 N ATOM 548 CA VAL A 35 -9.494 10.594 5.537 1.00 12.02 C ATOM 549 C VAL A 35 -10.999 10.526 5.302 1.00 54.14 C ATOM 550 O VAL A 35 -11.527 9.494 4.889 1.00 14.05 O ATOM 551 CB VAL A 35 -9.194 10.202 6.996 1.00 10.55 C ATOM 552 CG1 VAL A 35 -9.751 8.821 7.304 1.00 2.35 C ATOM 553 CG2 VAL A 35 -7.698 10.255 7.264 1.00 42.02 C ATOM 0 H VAL A 35 -8.314 12.287 5.912 1.00 60.02 H new ATOM 0 HA VAL A 35 -8.993 9.892 4.870 1.00 12.02 H new ATOM 0 HB VAL A 35 -9.684 10.919 7.655 1.00 10.55 H new ATOM 0 HG11 VAL A 35 -9.529 8.562 8.339 1.00 2.35 H new ATOM 0 HG12 VAL A 35 -10.831 8.822 7.154 1.00 2.35 H new ATOM 0 HG13 VAL A 35 -9.293 8.088 6.640 1.00 2.35 H new ATOM 0 HG21 VAL A 35 -7.504 9.975 8.299 1.00 42.02 H new ATOM 0 HG22 VAL A 35 -7.184 9.562 6.598 1.00 42.02 H new ATOM 0 HG23 VAL A 35 -7.332 11.266 7.087 1.00 42.02 H new ATOM 563 N TRP A 36 -11.684 11.631 5.570 1.00 11.41 N ATOM 564 CA TRP A 36 -13.129 11.697 5.388 1.00 11.52 C ATOM 565 C TRP A 36 -13.516 11.325 3.961 1.00 0.35 C ATOM 566 O TRP A 36 -14.272 10.381 3.740 1.00 2.11 O ATOM 567 CB TRP A 36 -13.642 13.101 5.719 1.00 32.32 C ATOM 568 CG TRP A 36 -15.127 13.239 5.577 1.00 24.21 C ATOM 569 CD1 TRP A 36 -16.066 13.036 6.549 1.00 11.14 C ATOM 570 CD2 TRP A 36 -15.845 13.606 4.394 1.00 4.51 C ATOM 571 NE1 TRP A 36 -17.324 13.256 6.042 1.00 11.52 N ATOM 572 CE2 TRP A 36 -17.216 13.609 4.722 1.00 52.32 C ATOM 573 CE3 TRP A 36 -15.465 13.937 3.091 1.00 55.04 C ATOM 574 CZ2 TRP A 36 -18.202 13.928 3.793 1.00 62.42 C ATOM 575 CZ3 TRP A 36 -16.445 14.252 2.170 1.00 0.33 C ATOM 576 CH2 TRP A 36 -17.800 14.247 2.524 1.00 22.11 C ATOM 0 H TRP A 36 -11.262 12.494 5.914 1.00 11.41 H new ATOM 0 HA TRP A 36 -13.589 10.980 6.068 1.00 11.52 H new ATOM 0 HB2 TRP A 36 -13.357 13.353 6.740 1.00 32.32 H new ATOM 0 HB3 TRP A 36 -13.153 13.822 5.064 1.00 32.32 H new ATOM 0 HD1 TRP A 36 -15.851 12.745 7.567 1.00 11.14 H new ATOM 0 HE1 TRP A 36 -18.197 13.171 6.563 1.00 11.52 H new ATOM 0 HE3 TRP A 36 -14.423 13.946 2.809 1.00 55.04 H new ATOM 0 HZ2 TRP A 36 -19.247 13.924 4.064 1.00 62.42 H new ATOM 0 HZ3 TRP A 36 -16.161 14.507 1.159 1.00 0.33 H new ATOM 0 HH2 TRP A 36 -18.542 14.500 1.781 1.00 22.11 H new ATOM 587 N ALA A 37 -12.991 12.073 2.996 1.00 3.52 N ATOM 588 CA ALA A 37 -13.280 11.820 1.590 1.00 73.53 C ATOM 589 C ALA A 37 -12.803 10.432 1.174 1.00 23.25 C ATOM 590 O ALA A 37 -13.473 9.740 0.406 1.00 12.54 O ATOM 591 CB ALA A 37 -12.633 12.885 0.718 1.00 33.13 C ATOM 0 H ALA A 37 -12.363 12.859 3.163 1.00 3.52 H new ATOM 0 HA ALA A 37 -14.361 11.862 1.453 1.00 73.53 H new ATOM 0 HB1 ALA A 37 -12.857 12.683 -0.329 1.00 33.13 H new ATOM 0 HB2 ALA A 37 -13.024 13.865 0.991 1.00 33.13 H new ATOM 0 HB3 ALA A 37 -11.553 12.871 0.867 1.00 33.13 H new ATOM 597 N SER A 38 -11.644 10.031 1.684 1.00 75.12 N ATOM 598 CA SER A 38 -11.075 8.727 1.362 1.00 5.24 C ATOM 599 C SER A 38 -12.011 7.604 1.800 1.00 51.03 C ATOM 600 O SER A 38 -12.111 6.571 1.138 1.00 12.54 O ATOM 601 CB SER A 38 -9.711 8.562 2.033 1.00 65.13 C ATOM 602 OG SER A 38 -9.803 7.728 3.175 1.00 34.41 O ATOM 0 H SER A 38 -11.079 10.591 2.323 1.00 75.12 H new ATOM 0 HA SER A 38 -10.948 8.670 0.281 1.00 5.24 H new ATOM 0 HB2 SER A 38 -9.002 8.136 1.323 1.00 65.13 H new ATOM 0 HB3 SER A 38 -9.324 9.539 2.322 1.00 65.13 H new ATOM 0 HG SER A 38 -10.337 8.175 3.865 1.00 34.41 H new ATOM 608 N ARG A 39 -12.693 7.814 2.921 1.00 13.44 N ATOM 609 CA ARG A 39 -13.619 6.820 3.449 1.00 41.43 C ATOM 610 C ARG A 39 -14.944 6.856 2.694 1.00 60.32 C ATOM 611 O ARG A 39 -15.745 5.926 2.784 1.00 51.23 O ATOM 612 CB ARG A 39 -13.863 7.062 4.940 1.00 62.24 C ATOM 613 CG ARG A 39 -12.893 6.319 5.844 1.00 72.45 C ATOM 614 CD ARG A 39 -13.558 5.127 6.516 1.00 74.21 C ATOM 615 NE ARG A 39 -12.866 4.734 7.741 1.00 25.04 N ATOM 616 CZ ARG A 39 -13.118 3.606 8.397 1.00 3.14 C ATOM 617 NH1 ARG A 39 -14.039 2.765 7.947 1.00 2.14 N ATOM 618 NH2 ARG A 39 -12.448 3.318 9.505 1.00 51.30 N ATOM 0 H ARG A 39 -12.622 8.664 3.481 1.00 13.44 H new ATOM 0 HA ARG A 39 -13.171 5.835 3.315 1.00 41.43 H new ATOM 0 HB2 ARG A 39 -13.790 8.130 5.143 1.00 62.24 H new ATOM 0 HB3 ARG A 39 -14.881 6.760 5.187 1.00 62.24 H new ATOM 0 HG2 ARG A 39 -12.038 5.978 5.260 1.00 72.45 H new ATOM 0 HG3 ARG A 39 -12.509 6.999 6.604 1.00 72.45 H new ATOM 0 HD2 ARG A 39 -14.594 5.373 6.748 1.00 74.21 H new ATOM 0 HD3 ARG A 39 -13.577 4.285 5.824 1.00 74.21 H new ATOM 0 HE ARG A 39 -12.151 5.359 8.113 1.00 25.04 H new ATOM 0 HH11 ARG A 39 -14.556 2.983 7.095 1.00 2.14 H new ATOM 0 HH12 ARG A 39 -14.230 1.900 8.453 1.00 2.14 H new ATOM 0 HH21 ARG A 39 -11.739 3.963 9.854 1.00 51.30 H new ATOM 0 HH22 ARG A 39 -12.642 2.452 10.008 1.00 51.30 H new ATOM 632 N GLU A 40 -15.167 7.934 1.950 1.00 53.32 N ATOM 633 CA GLU A 40 -16.396 8.091 1.181 1.00 12.04 C ATOM 634 C GLU A 40 -16.226 7.540 -0.232 1.00 43.41 C ATOM 635 O GLU A 40 -17.158 6.977 -0.807 1.00 31.24 O ATOM 636 CB GLU A 40 -16.802 9.565 1.120 1.00 22.02 C ATOM 637 CG GLU A 40 -18.286 9.777 0.874 1.00 62.14 C ATOM 638 CD GLU A 40 -19.088 9.835 2.160 1.00 63.33 C ATOM 639 OE1 GLU A 40 -19.145 8.809 2.870 1.00 71.21 O ATOM 640 OE2 GLU A 40 -19.659 10.905 2.457 1.00 13.13 O ATOM 0 H GLU A 40 -14.513 8.712 1.863 1.00 53.32 H new ATOM 0 HA GLU A 40 -17.183 7.526 1.682 1.00 12.04 H new ATOM 0 HB2 GLU A 40 -16.525 10.049 2.057 1.00 22.02 H new ATOM 0 HB3 GLU A 40 -16.237 10.056 0.328 1.00 22.02 H new ATOM 0 HG2 GLU A 40 -18.430 10.704 0.318 1.00 62.14 H new ATOM 0 HG3 GLU A 40 -18.666 8.969 0.249 1.00 62.14 H new ATOM 647 N LEU A 41 -15.031 7.707 -0.787 1.00 53.31 N ATOM 648 CA LEU A 41 -14.737 7.228 -2.133 1.00 40.30 C ATOM 649 C LEU A 41 -14.875 5.712 -2.213 1.00 73.31 C ATOM 650 O LEU A 41 -15.391 5.177 -3.193 1.00 23.24 O ATOM 651 CB LEU A 41 -13.326 7.646 -2.548 1.00 1.22 C ATOM 652 CG LEU A 41 -13.210 8.986 -3.275 1.00 12.13 C ATOM 653 CD1 LEU A 41 -11.754 9.301 -3.584 1.00 10.51 C ATOM 654 CD2 LEU A 41 -14.037 8.974 -4.553 1.00 75.45 C ATOM 0 H LEU A 41 -14.249 8.171 -0.325 1.00 53.31 H new ATOM 0 HA LEU A 41 -15.457 7.677 -2.817 1.00 40.30 H new ATOM 0 HB2 LEU A 41 -12.703 7.685 -1.655 1.00 1.22 H new ATOM 0 HB3 LEU A 41 -12.913 6.869 -3.191 1.00 1.22 H new ATOM 0 HG LEU A 41 -13.599 9.767 -2.621 1.00 12.13 H new ATOM 0 HD11 LEU A 41 -11.691 10.258 -4.101 1.00 10.51 H new ATOM 0 HD12 LEU A 41 -11.188 9.353 -2.654 1.00 10.51 H new ATOM 0 HD13 LEU A 41 -11.339 8.518 -4.218 1.00 10.51 H new ATOM 0 HD21 LEU A 41 -13.942 9.936 -5.057 1.00 75.45 H new ATOM 0 HD22 LEU A 41 -13.678 8.183 -5.211 1.00 75.45 H new ATOM 0 HD23 LEU A 41 -15.084 8.795 -4.307 1.00 75.45 H new ATOM 666 N GLU A 42 -14.411 5.024 -1.173 1.00 2.13 N ATOM 667 CA GLU A 42 -14.484 3.569 -1.127 1.00 61.14 C ATOM 668 C GLU A 42 -15.928 3.093 -1.252 1.00 33.30 C ATOM 669 O GLU A 42 -16.185 1.946 -1.619 1.00 4.02 O ATOM 670 CB GLU A 42 -13.874 3.047 0.176 1.00 43.23 C ATOM 671 CG GLU A 42 -12.958 1.851 -0.017 1.00 31.42 C ATOM 672 CD GLU A 42 -11.860 1.782 1.026 1.00 73.23 C ATOM 673 OE1 GLU A 42 -11.882 2.602 1.967 1.00 10.02 O ATOM 674 OE2 GLU A 42 -10.977 0.907 0.900 1.00 42.24 O ATOM 0 H GLU A 42 -13.981 5.451 -0.353 1.00 2.13 H new ATOM 0 HA GLU A 42 -13.916 3.175 -1.969 1.00 61.14 H new ATOM 0 HB2 GLU A 42 -13.312 3.851 0.652 1.00 43.23 H new ATOM 0 HB3 GLU A 42 -14.678 2.772 0.859 1.00 43.23 H new ATOM 0 HG2 GLU A 42 -13.549 0.936 0.022 1.00 31.42 H new ATOM 0 HG3 GLU A 42 -12.509 1.899 -1.009 1.00 31.42 H new ATOM 681 N ARG A 43 -16.867 3.981 -0.942 1.00 62.13 N ATOM 682 CA ARG A 43 -18.285 3.651 -1.018 1.00 52.45 C ATOM 683 C ARG A 43 -18.829 3.910 -2.419 1.00 3.13 C ATOM 684 O ARG A 43 -19.881 3.391 -2.793 1.00 34.55 O ATOM 685 CB ARG A 43 -19.076 4.468 0.007 1.00 74.33 C ATOM 686 CG ARG A 43 -20.216 3.697 0.651 1.00 71.31 C ATOM 687 CD ARG A 43 -21.135 4.617 1.439 1.00 64.42 C ATOM 688 NE ARG A 43 -22.139 3.871 2.193 1.00 24.12 N ATOM 689 CZ ARG A 43 -22.994 4.438 3.039 1.00 54.01 C ATOM 690 NH1 ARG A 43 -22.964 5.749 3.237 1.00 63.43 N ATOM 691 NH2 ARG A 43 -23.878 3.693 3.689 1.00 22.21 N ATOM 0 H ARG A 43 -16.671 4.934 -0.636 1.00 62.13 H new ATOM 0 HA ARG A 43 -18.398 2.590 -0.793 1.00 52.45 H new ATOM 0 HB2 ARG A 43 -18.396 4.813 0.786 1.00 74.33 H new ATOM 0 HB3 ARG A 43 -19.479 5.355 -0.481 1.00 74.33 H new ATOM 0 HG2 ARG A 43 -20.789 3.181 -0.120 1.00 71.31 H new ATOM 0 HG3 ARG A 43 -19.811 2.932 1.313 1.00 71.31 H new ATOM 0 HD2 ARG A 43 -20.542 5.222 2.125 1.00 64.42 H new ATOM 0 HD3 ARG A 43 -21.632 5.305 0.756 1.00 64.42 H new ATOM 0 HE ARG A 43 -22.187 2.860 2.064 1.00 24.12 H new ATOM 0 HH11 ARG A 43 -22.284 6.324 2.740 1.00 63.43 H new ATOM 0 HH12 ARG A 43 -23.621 6.182 3.886 1.00 63.43 H new ATOM 0 HH21 ARG A 43 -23.902 2.684 3.540 1.00 22.21 H new ATOM 0 HH22 ARG A 43 -24.533 4.129 4.338 1.00 22.21 H new ATOM 705 N PHE A 44 -18.107 4.716 -3.189 1.00 11.12 N ATOM 706 CA PHE A 44 -18.518 5.045 -4.549 1.00 13.30 C ATOM 707 C PHE A 44 -17.755 4.203 -5.567 1.00 2.10 C ATOM 708 O PHE A 44 -17.604 4.593 -6.724 1.00 12.33 O ATOM 709 CB PHE A 44 -18.289 6.533 -4.828 1.00 21.15 C ATOM 710 CG PHE A 44 -19.151 7.438 -3.994 1.00 14.04 C ATOM 711 CD1 PHE A 44 -20.520 7.237 -3.919 1.00 34.03 C ATOM 712 CD2 PHE A 44 -18.591 8.490 -3.288 1.00 61.11 C ATOM 713 CE1 PHE A 44 -21.315 8.069 -3.153 1.00 60.12 C ATOM 714 CE2 PHE A 44 -19.382 9.324 -2.519 1.00 23.44 C ATOM 715 CZ PHE A 44 -20.745 9.114 -2.453 1.00 31.33 C ATOM 0 H PHE A 44 -17.234 5.154 -2.895 1.00 11.12 H new ATOM 0 HA PHE A 44 -19.581 4.823 -4.644 1.00 13.30 H new ATOM 0 HB2 PHE A 44 -17.241 6.772 -4.645 1.00 21.15 H new ATOM 0 HB3 PHE A 44 -18.482 6.731 -5.882 1.00 21.15 H new ATOM 0 HD1 PHE A 44 -20.971 6.421 -4.465 1.00 34.03 H new ATOM 0 HD2 PHE A 44 -17.526 8.661 -3.339 1.00 61.11 H new ATOM 0 HE1 PHE A 44 -22.381 7.902 -3.102 1.00 60.12 H new ATOM 0 HE2 PHE A 44 -18.934 10.139 -1.970 1.00 23.44 H new ATOM 0 HZ PHE A 44 -21.364 9.766 -1.855 1.00 31.33 H new ATOM 725 N ALA A 45 -17.275 3.045 -5.126 1.00 24.42 N ATOM 726 CA ALA A 45 -16.530 2.145 -5.998 1.00 10.24 C ATOM 727 C ALA A 45 -15.217 2.779 -6.447 1.00 74.41 C ATOM 728 O ALA A 45 -14.697 2.461 -7.516 1.00 54.53 O ATOM 729 CB ALA A 45 -17.372 1.761 -7.206 1.00 63.43 C ATOM 0 H ALA A 45 -17.389 2.708 -4.170 1.00 24.42 H new ATOM 0 HA ALA A 45 -16.295 1.244 -5.432 1.00 10.24 H new ATOM 0 HB1 ALA A 45 -16.802 1.089 -7.848 1.00 63.43 H new ATOM 0 HB2 ALA A 45 -18.281 1.260 -6.872 1.00 63.43 H new ATOM 0 HB3 ALA A 45 -17.637 2.658 -7.765 1.00 63.43 H new ATOM 735 N VAL A 46 -14.686 3.677 -5.623 1.00 64.21 N ATOM 736 CA VAL A 46 -13.434 4.355 -5.934 1.00 25.10 C ATOM 737 C VAL A 46 -12.399 4.128 -4.838 1.00 32.13 C ATOM 738 O VAL A 46 -12.691 4.283 -3.653 1.00 33.30 O ATOM 739 CB VAL A 46 -13.647 5.869 -6.119 1.00 21.12 C ATOM 740 CG1 VAL A 46 -12.314 6.575 -6.314 1.00 10.14 C ATOM 741 CG2 VAL A 46 -14.579 6.137 -7.291 1.00 34.13 C ATOM 0 H VAL A 46 -15.104 3.952 -4.734 1.00 64.21 H new ATOM 0 HA VAL A 46 -13.068 3.930 -6.869 1.00 25.10 H new ATOM 0 HB VAL A 46 -14.113 6.266 -5.217 1.00 21.12 H new ATOM 0 HG11 VAL A 46 -12.484 7.644 -6.443 1.00 10.14 H new ATOM 0 HG12 VAL A 46 -11.684 6.411 -5.440 1.00 10.14 H new ATOM 0 HG13 VAL A 46 -11.818 6.177 -7.199 1.00 10.14 H new ATOM 0 HG21 VAL A 46 -14.718 7.212 -7.407 1.00 34.13 H new ATOM 0 HG22 VAL A 46 -14.144 5.727 -8.203 1.00 34.13 H new ATOM 0 HG23 VAL A 46 -15.543 5.664 -7.104 1.00 34.13 H new ATOM 751 N ASN A 47 -11.187 3.760 -5.243 1.00 3.12 N ATOM 752 CA ASN A 47 -10.108 3.513 -4.295 1.00 74.42 C ATOM 753 C ASN A 47 -9.557 4.824 -3.742 1.00 74.33 C ATOM 754 O ASN A 47 -9.345 5.793 -4.471 1.00 13.21 O ATOM 755 CB ASN A 47 -8.985 2.717 -4.966 1.00 11.52 C ATOM 756 CG ASN A 47 -9.512 1.577 -5.815 1.00 72.40 C ATOM 757 OD1 ASN A 47 -9.627 1.698 -7.034 1.00 4.23 O ATOM 758 ND2 ASN A 47 -9.836 0.461 -5.172 1.00 53.23 N ATOM 0 H ASN A 47 -10.929 3.627 -6.221 1.00 3.12 H new ATOM 0 HA ASN A 47 -10.512 2.932 -3.466 1.00 74.42 H new ATOM 0 HB2 ASN A 47 -8.391 3.386 -5.589 1.00 11.52 H new ATOM 0 HB3 ASN A 47 -8.319 2.319 -4.201 1.00 11.52 H new ATOM 0 HD21 ASN A 47 -10.197 -0.340 -5.690 1.00 53.23 H new ATOM 0 HD22 ASN A 47 -9.724 0.405 -4.160 1.00 53.23 H new ATOM 765 N PRO A 48 -9.320 4.855 -2.422 1.00 14.52 N ATOM 766 CA PRO A 48 -8.789 6.040 -1.742 1.00 2.11 C ATOM 767 C PRO A 48 -7.335 6.319 -2.110 1.00 3.41 C ATOM 768 O PRO A 48 -6.784 7.359 -1.754 1.00 74.51 O ATOM 769 CB PRO A 48 -8.906 5.680 -0.259 1.00 21.01 C ATOM 770 CG PRO A 48 -8.875 4.191 -0.227 1.00 21.24 C ATOM 771 CD PRO A 48 -9.549 3.736 -1.493 1.00 41.21 C ATOM 0 HA PRO A 48 -9.330 6.945 -2.019 1.00 2.11 H new ATOM 0 HB2 PRO A 48 -8.085 6.106 0.318 1.00 21.01 H new ATOM 0 HB3 PRO A 48 -9.831 6.066 0.170 1.00 21.01 H new ATOM 0 HG2 PRO A 48 -7.850 3.823 -0.176 1.00 21.24 H new ATOM 0 HG3 PRO A 48 -9.395 3.808 0.651 1.00 21.24 H new ATOM 0 HD2 PRO A 48 -9.117 2.808 -1.867 1.00 41.21 H new ATOM 0 HD3 PRO A 48 -10.612 3.553 -1.339 1.00 41.21 H new ATOM 779 N GLY A 49 -6.721 5.382 -2.826 1.00 40.23 N ATOM 780 CA GLY A 49 -5.337 5.546 -3.230 1.00 61.30 C ATOM 781 C GLY A 49 -5.187 6.477 -4.417 1.00 54.22 C ATOM 782 O GLY A 49 -4.073 6.861 -4.777 1.00 32.24 O ATOM 0 H GLY A 49 -7.157 4.513 -3.133 1.00 40.23 H new ATOM 0 HA2 GLY A 49 -4.760 5.936 -2.391 1.00 61.30 H new ATOM 0 HA3 GLY A 49 -4.917 4.572 -3.480 1.00 61.30 H new ATOM 786 N LEU A 50 -6.308 6.841 -5.027 1.00 43.22 N ATOM 787 CA LEU A 50 -6.297 7.733 -6.182 1.00 13.43 C ATOM 788 C LEU A 50 -6.124 9.185 -5.747 1.00 34.34 C ATOM 789 O LEU A 50 -5.692 10.032 -6.531 1.00 74.31 O ATOM 790 CB LEU A 50 -7.591 7.579 -6.983 1.00 33.10 C ATOM 791 CG LEU A 50 -7.904 6.171 -7.489 1.00 62.21 C ATOM 792 CD1 LEU A 50 -9.373 6.052 -7.863 1.00 61.42 C ATOM 793 CD2 LEU A 50 -7.019 5.822 -8.677 1.00 25.04 C ATOM 0 H LEU A 50 -7.237 6.533 -4.742 1.00 43.22 H new ATOM 0 HA LEU A 50 -5.452 7.459 -6.813 1.00 13.43 H new ATOM 0 HB2 LEU A 50 -8.422 7.913 -6.361 1.00 33.10 H new ATOM 0 HB3 LEU A 50 -7.546 8.250 -7.841 1.00 33.10 H new ATOM 0 HG LEU A 50 -7.696 5.463 -6.687 1.00 62.21 H new ATOM 0 HD11 LEU A 50 -9.577 5.043 -8.221 1.00 61.42 H new ATOM 0 HD12 LEU A 50 -9.989 6.258 -6.988 1.00 61.42 H new ATOM 0 HD13 LEU A 50 -9.608 6.770 -8.649 1.00 61.42 H new ATOM 0 HD21 LEU A 50 -7.256 4.816 -9.024 1.00 25.04 H new ATOM 0 HD22 LEU A 50 -7.194 6.535 -9.483 1.00 25.04 H new ATOM 0 HD23 LEU A 50 -5.972 5.865 -8.376 1.00 25.04 H new ATOM 805 N LEU A 51 -6.462 9.466 -4.494 1.00 41.13 N ATOM 806 CA LEU A 51 -6.342 10.815 -3.953 1.00 12.22 C ATOM 807 C LEU A 51 -4.887 11.149 -3.639 1.00 10.23 C ATOM 808 O LEU A 51 -4.529 12.315 -3.481 1.00 53.33 O ATOM 809 CB LEU A 51 -7.194 10.957 -2.690 1.00 55.20 C ATOM 810 CG LEU A 51 -8.704 10.818 -2.880 1.00 44.33 C ATOM 811 CD1 LEU A 51 -9.427 10.985 -1.552 1.00 51.14 C ATOM 812 CD2 LEU A 51 -9.210 11.832 -3.895 1.00 14.23 C ATOM 0 H LEU A 51 -6.822 8.777 -3.833 1.00 41.13 H new ATOM 0 HA LEU A 51 -6.701 11.515 -4.707 1.00 12.22 H new ATOM 0 HB2 LEU A 51 -6.868 10.207 -1.970 1.00 55.20 H new ATOM 0 HB3 LEU A 51 -6.992 11.932 -2.247 1.00 55.20 H new ATOM 0 HG LEU A 51 -8.912 9.818 -3.261 1.00 44.33 H new ATOM 0 HD11 LEU A 51 -10.501 10.883 -1.707 1.00 51.14 H new ATOM 0 HD12 LEU A 51 -9.087 10.220 -0.854 1.00 51.14 H new ATOM 0 HD13 LEU A 51 -9.212 11.972 -1.142 1.00 51.14 H new ATOM 0 HD21 LEU A 51 -10.287 11.718 -4.017 1.00 14.23 H new ATOM 0 HD22 LEU A 51 -8.989 12.840 -3.543 1.00 14.23 H new ATOM 0 HD23 LEU A 51 -8.717 11.666 -4.853 1.00 14.23 H new ATOM 824 N GLU A 52 -4.054 10.117 -3.555 1.00 31.32 N ATOM 825 CA GLU A 52 -2.638 10.302 -3.262 1.00 74.15 C ATOM 826 C GLU A 52 -1.904 10.884 -4.467 1.00 40.23 C ATOM 827 O GLU A 52 -0.864 11.528 -4.324 1.00 14.34 O ATOM 828 CB GLU A 52 -2.000 8.971 -2.858 1.00 54.34 C ATOM 829 CG GLU A 52 -1.580 8.113 -4.038 1.00 14.03 C ATOM 830 CD GLU A 52 -1.507 6.638 -3.692 1.00 11.10 C ATOM 831 OE1 GLU A 52 -1.657 6.301 -2.499 1.00 11.23 O ATOM 832 OE2 GLU A 52 -1.301 5.822 -4.614 1.00 53.42 O ATOM 0 H GLU A 52 -4.335 9.145 -3.686 1.00 31.32 H new ATOM 0 HA GLU A 52 -2.554 11.004 -2.433 1.00 74.15 H new ATOM 0 HB2 GLU A 52 -1.127 9.170 -2.236 1.00 54.34 H new ATOM 0 HB3 GLU A 52 -2.706 8.411 -2.246 1.00 54.34 H new ATOM 0 HG2 GLU A 52 -2.287 8.256 -4.856 1.00 14.03 H new ATOM 0 HG3 GLU A 52 -0.606 8.447 -4.396 1.00 14.03 H new ATOM 839 N THR A 53 -2.454 10.653 -5.655 1.00 14.41 N ATOM 840 CA THR A 53 -1.852 11.153 -6.885 1.00 22.44 C ATOM 841 C THR A 53 -2.742 12.199 -7.546 1.00 10.34 C ATOM 842 O THR A 53 -3.926 11.962 -7.781 1.00 43.03 O ATOM 843 CB THR A 53 -1.592 10.011 -7.886 1.00 12.25 C ATOM 844 OG1 THR A 53 -2.716 9.859 -8.760 1.00 31.42 O ATOM 845 CG2 THR A 53 -1.328 8.702 -7.158 1.00 33.10 C ATOM 0 H THR A 53 -3.315 10.123 -5.791 1.00 14.41 H new ATOM 0 HA THR A 53 -0.901 11.610 -6.610 1.00 22.44 H new ATOM 0 HB THR A 53 -0.709 10.266 -8.472 1.00 12.25 H new ATOM 0 HG1 THR A 53 -2.542 9.132 -9.394 1.00 31.42 H new ATOM 0 HG21 THR A 53 -1.147 7.911 -7.886 1.00 33.10 H new ATOM 0 HG22 THR A 53 -0.453 8.812 -6.517 1.00 33.10 H new ATOM 0 HG23 THR A 53 -2.194 8.443 -6.549 1.00 33.10 H new ATOM 853 N SER A 54 -2.162 13.358 -7.846 1.00 62.50 N ATOM 854 CA SER A 54 -2.903 14.442 -8.478 1.00 24.22 C ATOM 855 C SER A 54 -3.694 13.932 -9.679 1.00 0.11 C ATOM 856 O SER A 54 -4.822 14.360 -9.920 1.00 41.44 O ATOM 857 CB SER A 54 -1.949 15.554 -8.916 1.00 35.44 C ATOM 858 OG SER A 54 -2.564 16.826 -8.812 1.00 32.24 O ATOM 0 H SER A 54 -1.181 13.569 -7.661 1.00 62.50 H new ATOM 0 HA SER A 54 -3.605 14.843 -7.747 1.00 24.22 H new ATOM 0 HB2 SER A 54 -1.050 15.530 -8.299 1.00 35.44 H new ATOM 0 HB3 SER A 54 -1.634 15.382 -9.945 1.00 35.44 H new ATOM 0 HG SER A 54 -3.480 16.776 -9.156 1.00 32.24 H new ATOM 864 N GLU A 55 -3.093 13.014 -10.430 1.00 52.53 N ATOM 865 CA GLU A 55 -3.739 12.446 -11.606 1.00 5.54 C ATOM 866 C GLU A 55 -5.088 11.832 -11.242 1.00 21.42 C ATOM 867 O GLU A 55 -6.055 11.939 -11.995 1.00 71.41 O ATOM 868 CB GLU A 55 -2.841 11.389 -12.250 1.00 63.23 C ATOM 869 CG GLU A 55 -2.451 11.710 -13.683 1.00 62.03 C ATOM 870 CD GLU A 55 -3.542 11.358 -14.677 1.00 75.02 C ATOM 871 OE1 GLU A 55 -4.688 11.817 -14.487 1.00 73.10 O ATOM 872 OE2 GLU A 55 -3.249 10.624 -15.644 1.00 53.44 O ATOM 0 H GLU A 55 -2.159 12.648 -10.244 1.00 52.53 H new ATOM 0 HA GLU A 55 -3.907 13.252 -12.321 1.00 5.54 H new ATOM 0 HB2 GLU A 55 -1.936 11.281 -11.652 1.00 63.23 H new ATOM 0 HB3 GLU A 55 -3.354 10.427 -12.229 1.00 63.23 H new ATOM 0 HG2 GLU A 55 -2.220 12.772 -13.764 1.00 62.03 H new ATOM 0 HG3 GLU A 55 -1.542 11.166 -13.939 1.00 62.03 H new ATOM 879 N GLY A 56 -5.143 11.185 -10.081 1.00 32.41 N ATOM 880 CA GLY A 56 -6.375 10.561 -9.637 1.00 31.23 C ATOM 881 C GLY A 56 -7.496 11.563 -9.448 1.00 63.54 C ATOM 882 O GLY A 56 -8.595 11.382 -9.976 1.00 13.54 O ATOM 0 H GLY A 56 -4.356 11.082 -9.441 1.00 32.41 H new ATOM 0 HA2 GLY A 56 -6.682 9.810 -10.365 1.00 31.23 H new ATOM 0 HA3 GLY A 56 -6.196 10.039 -8.697 1.00 31.23 H new ATOM 886 N CYS A 57 -7.222 12.619 -8.691 1.00 14.23 N ATOM 887 CA CYS A 57 -8.218 13.653 -8.432 1.00 71.10 C ATOM 888 C CYS A 57 -8.677 14.305 -9.732 1.00 22.01 C ATOM 889 O CYS A 57 -9.875 14.426 -9.988 1.00 42.44 O ATOM 890 CB CYS A 57 -7.648 14.714 -7.489 1.00 40.33 C ATOM 891 SG CYS A 57 -6.895 14.041 -5.989 1.00 72.41 S ATOM 0 H CYS A 57 -6.319 12.782 -8.246 1.00 14.23 H new ATOM 0 HA CYS A 57 -9.080 13.182 -7.960 1.00 71.10 H new ATOM 0 HB2 CYS A 57 -6.902 15.299 -8.026 1.00 40.33 H new ATOM 0 HB3 CYS A 57 -8.447 15.400 -7.206 1.00 40.33 H new ATOM 0 HG CYS A 57 -6.440 15.015 -5.257 1.00 72.41 H new ATOM 897 N ARG A 58 -7.717 14.723 -10.549 1.00 51.31 N ATOM 898 CA ARG A 58 -8.023 15.366 -11.821 1.00 1.34 C ATOM 899 C ARG A 58 -9.100 14.592 -12.576 1.00 43.33 C ATOM 900 O ARG A 58 -9.909 15.178 -13.295 1.00 32.12 O ATOM 901 CB ARG A 58 -6.761 15.472 -12.680 1.00 21.40 C ATOM 902 CG ARG A 58 -7.020 16.004 -14.080 1.00 73.30 C ATOM 903 CD ARG A 58 -7.244 14.875 -15.073 1.00 74.53 C ATOM 904 NE ARG A 58 -6.687 15.183 -16.388 1.00 71.31 N ATOM 905 CZ ARG A 58 -6.495 14.273 -17.336 1.00 73.30 C ATOM 906 NH1 ARG A 58 -6.814 13.005 -17.117 1.00 71.41 N ATOM 907 NH2 ARG A 58 -5.984 14.631 -18.507 1.00 33.43 N ATOM 0 H ARG A 58 -6.720 14.628 -10.353 1.00 51.31 H new ATOM 0 HA ARG A 58 -8.398 16.368 -11.612 1.00 1.34 H new ATOM 0 HB2 ARG A 58 -6.045 16.124 -12.180 1.00 21.40 H new ATOM 0 HB3 ARG A 58 -6.299 14.488 -12.754 1.00 21.40 H new ATOM 0 HG2 ARG A 58 -7.893 16.657 -14.067 1.00 73.30 H new ATOM 0 HG3 ARG A 58 -6.174 16.611 -14.402 1.00 73.30 H new ATOM 0 HD2 ARG A 58 -6.788 13.961 -14.692 1.00 74.53 H new ATOM 0 HD3 ARG A 58 -8.313 14.683 -15.168 1.00 74.53 H new ATOM 0 HE ARG A 58 -6.432 16.150 -16.589 1.00 71.31 H new ATOM 0 HH11 ARG A 58 -7.208 12.726 -16.218 1.00 71.41 H new ATOM 0 HH12 ARG A 58 -6.665 12.308 -17.847 1.00 71.41 H new ATOM 0 HH21 ARG A 58 -5.738 15.606 -18.680 1.00 33.43 H new ATOM 0 HH22 ARG A 58 -5.837 13.931 -19.235 1.00 33.43 H new ATOM 921 N GLN A 59 -9.104 13.274 -12.406 1.00 2.43 N ATOM 922 CA GLN A 59 -10.081 12.421 -13.072 1.00 70.14 C ATOM 923 C GLN A 59 -11.372 12.339 -12.263 1.00 32.05 C ATOM 924 O GLN A 59 -12.468 12.348 -12.825 1.00 52.55 O ATOM 925 CB GLN A 59 -9.506 11.019 -13.282 1.00 43.32 C ATOM 926 CG GLN A 59 -9.907 10.390 -14.606 1.00 60.23 C ATOM 927 CD GLN A 59 -9.913 8.875 -14.553 1.00 35.43 C ATOM 928 OE1 GLN A 59 -10.911 8.259 -14.180 1.00 61.05 O ATOM 929 NE2 GLN A 59 -8.795 8.264 -14.930 1.00 64.11 N ATOM 0 H GLN A 59 -8.442 12.774 -11.813 1.00 2.43 H new ATOM 0 HA GLN A 59 -10.309 12.861 -14.043 1.00 70.14 H new ATOM 0 HB2 GLN A 59 -8.419 11.069 -13.228 1.00 43.32 H new ATOM 0 HB3 GLN A 59 -9.836 10.374 -12.468 1.00 43.32 H new ATOM 0 HG2 GLN A 59 -10.899 10.744 -14.887 1.00 60.23 H new ATOM 0 HG3 GLN A 59 -9.219 10.720 -15.384 1.00 60.23 H new ATOM 0 HE21 GLN A 59 -7.991 8.813 -15.232 1.00 64.11 H new ATOM 0 HE22 GLN A 59 -8.741 7.246 -14.917 1.00 64.11 H new ATOM 938 N ILE A 60 -11.235 12.258 -10.944 1.00 33.13 N ATOM 939 CA ILE A 60 -12.390 12.174 -10.060 1.00 11.13 C ATOM 940 C ILE A 60 -13.287 13.398 -10.212 1.00 40.10 C ATOM 941 O ILE A 60 -14.507 13.276 -10.335 1.00 75.30 O ATOM 942 CB ILE A 60 -11.962 12.044 -8.587 1.00 45.52 C ATOM 943 CG1 ILE A 60 -11.125 10.780 -8.385 1.00 65.31 C ATOM 944 CG2 ILE A 60 -13.184 12.028 -7.680 1.00 30.25 C ATOM 945 CD1 ILE A 60 -10.095 10.906 -7.285 1.00 72.30 C ATOM 0 H ILE A 60 -10.335 12.249 -10.464 1.00 33.13 H new ATOM 0 HA ILE A 60 -12.945 11.281 -10.348 1.00 11.13 H new ATOM 0 HB ILE A 60 -11.350 12.907 -8.325 1.00 45.52 H new ATOM 0 HG12 ILE A 60 -11.789 9.947 -8.156 1.00 65.31 H new ATOM 0 HG13 ILE A 60 -10.619 10.536 -9.319 1.00 65.31 H new ATOM 0 HG21 ILE A 60 -12.865 11.936 -6.642 1.00 30.25 H new ATOM 0 HG22 ILE A 60 -13.743 12.955 -7.807 1.00 30.25 H new ATOM 0 HG23 ILE A 60 -13.820 11.182 -7.941 1.00 30.25 H new ATOM 0 HD11 ILE A 60 -9.539 9.972 -7.198 1.00 72.30 H new ATOM 0 HD12 ILE A 60 -9.407 11.717 -7.522 1.00 72.30 H new ATOM 0 HD13 ILE A 60 -10.596 11.119 -6.340 1.00 72.30 H new ATOM 957 N LEU A 61 -12.676 14.578 -10.204 1.00 21.42 N ATOM 958 CA LEU A 61 -13.420 15.825 -10.342 1.00 10.11 C ATOM 959 C LEU A 61 -14.195 15.854 -11.656 1.00 63.25 C ATOM 960 O LEU A 61 -15.339 16.306 -11.703 1.00 11.20 O ATOM 961 CB LEU A 61 -12.467 17.020 -10.274 1.00 70.41 C ATOM 962 CG LEU A 61 -11.706 17.197 -8.959 1.00 35.34 C ATOM 963 CD1 LEU A 61 -10.433 17.998 -9.183 1.00 2.45 C ATOM 964 CD2 LEU A 61 -12.588 17.871 -7.919 1.00 13.21 C ATOM 0 H LEU A 61 -11.668 14.697 -10.103 1.00 21.42 H new ATOM 0 HA LEU A 61 -14.132 15.888 -9.519 1.00 10.11 H new ATOM 0 HB2 LEU A 61 -11.741 16.926 -11.081 1.00 70.41 H new ATOM 0 HB3 LEU A 61 -13.040 17.928 -10.464 1.00 70.41 H new ATOM 0 HG LEU A 61 -11.429 16.211 -8.586 1.00 35.34 H new ATOM 0 HD11 LEU A 61 -9.905 18.114 -8.237 1.00 2.45 H new ATOM 0 HD12 LEU A 61 -9.794 17.474 -9.894 1.00 2.45 H new ATOM 0 HD13 LEU A 61 -10.687 18.981 -9.580 1.00 2.45 H new ATOM 0 HD21 LEU A 61 -12.030 17.989 -6.990 1.00 13.21 H new ATOM 0 HD22 LEU A 61 -12.897 18.851 -8.284 1.00 13.21 H new ATOM 0 HD23 LEU A 61 -13.470 17.257 -7.737 1.00 13.21 H new ATOM 976 N GLY A 62 -13.566 15.365 -12.720 1.00 31.20 N ATOM 977 CA GLY A 62 -14.213 15.342 -14.019 1.00 62.11 C ATOM 978 C GLY A 62 -15.382 14.379 -14.067 1.00 63.22 C ATOM 979 O GLY A 62 -16.248 14.487 -14.934 1.00 0.23 O ATOM 0 H GLY A 62 -12.620 14.984 -12.706 1.00 31.20 H new ATOM 0 HA2 GLY A 62 -14.562 16.345 -14.266 1.00 62.11 H new ATOM 0 HA3 GLY A 62 -13.484 15.062 -14.780 1.00 62.11 H new ATOM 983 N GLN A 63 -15.406 13.432 -13.134 1.00 43.21 N ATOM 984 CA GLN A 63 -16.477 12.445 -13.075 1.00 22.32 C ATOM 985 C GLN A 63 -17.667 12.977 -12.284 1.00 12.33 C ATOM 986 O GLN A 63 -18.812 12.892 -12.732 1.00 41.32 O ATOM 987 CB GLN A 63 -15.970 11.147 -12.444 1.00 74.14 C ATOM 988 CG GLN A 63 -15.513 10.113 -13.460 1.00 14.14 C ATOM 989 CD GLN A 63 -15.233 8.762 -12.833 1.00 63.55 C ATOM 990 OE1 GLN A 63 -14.279 8.605 -12.070 1.00 71.44 O ATOM 991 NE2 GLN A 63 -16.066 7.778 -13.151 1.00 33.14 N ATOM 0 H GLN A 63 -14.696 13.328 -12.409 1.00 43.21 H new ATOM 0 HA GLN A 63 -16.804 12.242 -14.095 1.00 22.32 H new ATOM 0 HB2 GLN A 63 -15.141 11.378 -11.775 1.00 74.14 H new ATOM 0 HB3 GLN A 63 -16.763 10.717 -11.832 1.00 74.14 H new ATOM 0 HG2 GLN A 63 -16.278 10.001 -14.228 1.00 14.14 H new ATOM 0 HG3 GLN A 63 -14.612 10.472 -13.958 1.00 14.14 H new ATOM 0 HE21 GLN A 63 -16.843 7.954 -13.788 1.00 33.14 H new ATOM 0 HE22 GLN A 63 -15.928 6.847 -12.759 1.00 33.14 H new ATOM 1000 N LEU A 64 -17.391 13.527 -11.107 1.00 35.20 N ATOM 1001 CA LEU A 64 -18.438 14.074 -10.253 1.00 0.52 C ATOM 1002 C LEU A 64 -18.942 15.409 -10.795 1.00 60.52 C ATOM 1003 O LEU A 64 -20.097 15.777 -10.585 1.00 0.44 O ATOM 1004 CB LEU A 64 -17.918 14.254 -8.826 1.00 53.03 C ATOM 1005 CG LEU A 64 -17.212 13.045 -8.210 1.00 25.12 C ATOM 1006 CD1 LEU A 64 -16.495 13.440 -6.929 1.00 20.21 C ATOM 1007 CD2 LEU A 64 -18.209 11.926 -7.943 1.00 34.22 C ATOM 0 H LEU A 64 -16.450 13.606 -10.722 1.00 35.20 H new ATOM 0 HA LEU A 64 -19.270 13.369 -10.244 1.00 0.52 H new ATOM 0 HB2 LEU A 64 -17.227 15.097 -8.816 1.00 53.03 H new ATOM 0 HB3 LEU A 64 -18.758 14.524 -8.186 1.00 53.03 H new ATOM 0 HG LEU A 64 -16.469 12.682 -8.919 1.00 25.12 H new ATOM 0 HD11 LEU A 64 -15.999 12.567 -6.506 1.00 20.21 H new ATOM 0 HD12 LEU A 64 -15.753 14.208 -7.149 1.00 20.21 H new ATOM 0 HD13 LEU A 64 -17.218 13.829 -6.212 1.00 20.21 H new ATOM 0 HD21 LEU A 64 -17.690 11.073 -7.505 1.00 34.22 H new ATOM 0 HD22 LEU A 64 -18.975 12.279 -7.253 1.00 34.22 H new ATOM 0 HD23 LEU A 64 -18.676 11.624 -8.880 1.00 34.22 H new ATOM 1019 N GLN A 65 -18.067 16.124 -11.493 1.00 44.52 N ATOM 1020 CA GLN A 65 -18.424 17.417 -12.067 1.00 42.12 C ATOM 1021 C GLN A 65 -19.784 17.351 -12.755 1.00 34.30 C ATOM 1022 O GLN A 65 -20.720 18.070 -12.406 1.00 12.15 O ATOM 1023 CB GLN A 65 -17.355 17.869 -13.063 1.00 4.43 C ATOM 1024 CG GLN A 65 -17.902 18.728 -14.193 1.00 73.22 C ATOM 1025 CD GLN A 65 -16.809 19.440 -14.965 1.00 13.10 C ATOM 1026 OE1 GLN A 65 -15.786 19.827 -14.400 1.00 12.52 O ATOM 1027 NE2 GLN A 65 -17.020 19.618 -16.264 1.00 72.22 N ATOM 0 H GLN A 65 -17.107 15.831 -11.675 1.00 44.52 H new ATOM 0 HA GLN A 65 -18.484 18.143 -11.256 1.00 42.12 H new ATOM 0 HB2 GLN A 65 -16.587 18.430 -12.530 1.00 4.43 H new ATOM 0 HB3 GLN A 65 -16.870 16.990 -13.488 1.00 4.43 H new ATOM 0 HG2 GLN A 65 -18.475 18.101 -14.876 1.00 73.22 H new ATOM 0 HG3 GLN A 65 -18.592 19.466 -13.783 1.00 73.22 H new ATOM 0 HE21 GLN A 65 -17.883 19.281 -16.691 1.00 72.22 H new ATOM 0 HE22 GLN A 65 -16.319 20.092 -16.834 1.00 72.22 H new ATOM 1036 N PRO A 66 -19.895 16.467 -13.758 1.00 24.01 N ATOM 1037 CA PRO A 66 -21.137 16.285 -14.517 1.00 3.31 C ATOM 1038 C PRO A 66 -22.234 15.630 -13.686 1.00 64.33 C ATOM 1039 O PRO A 66 -23.355 15.442 -14.158 1.00 61.21 O ATOM 1040 CB PRO A 66 -20.717 15.367 -15.668 1.00 64.52 C ATOM 1041 CG PRO A 66 -19.533 14.626 -15.149 1.00 64.21 C ATOM 1042 CD PRO A 66 -18.821 15.577 -14.228 1.00 32.11 C ATOM 0 HA PRO A 66 -21.558 17.236 -14.843 1.00 3.31 H new ATOM 0 HB2 PRO A 66 -21.521 14.685 -15.944 1.00 64.52 H new ATOM 0 HB3 PRO A 66 -20.465 15.940 -16.560 1.00 64.52 H new ATOM 0 HG2 PRO A 66 -19.839 13.724 -14.618 1.00 64.21 H new ATOM 0 HG3 PRO A 66 -18.882 14.311 -15.964 1.00 64.21 H new ATOM 0 HD2 PRO A 66 -18.343 15.053 -13.401 1.00 32.11 H new ATOM 0 HD3 PRO A 66 -18.039 16.131 -14.748 1.00 32.11 H new ATOM 1050 N SER A 67 -21.904 15.283 -12.446 1.00 52.40 N ATOM 1051 CA SER A 67 -22.861 14.645 -11.549 1.00 15.43 C ATOM 1052 C SER A 67 -23.278 15.599 -10.433 1.00 24.35 C ATOM 1053 O SER A 67 -24.129 15.269 -9.605 1.00 52.20 O ATOM 1054 CB SER A 67 -22.261 13.373 -10.950 1.00 51.13 C ATOM 1055 OG SER A 67 -21.674 12.564 -11.955 1.00 51.25 O ATOM 0 H SER A 67 -20.981 15.433 -12.039 1.00 52.40 H new ATOM 0 HA SER A 67 -23.746 14.382 -12.129 1.00 15.43 H new ATOM 0 HB2 SER A 67 -21.509 13.637 -10.206 1.00 51.13 H new ATOM 0 HB3 SER A 67 -23.037 12.810 -10.433 1.00 51.13 H new ATOM 0 HG SER A 67 -20.739 12.828 -12.083 1.00 51.25 H new ATOM 1061 N LEU A 68 -22.674 16.782 -10.417 1.00 25.21 N ATOM 1062 CA LEU A 68 -22.982 17.785 -9.403 1.00 63.20 C ATOM 1063 C LEU A 68 -24.410 18.296 -9.560 1.00 51.43 C ATOM 1064 O LEU A 68 -24.982 18.862 -8.629 1.00 42.54 O ATOM 1065 CB LEU A 68 -21.997 18.951 -9.496 1.00 74.32 C ATOM 1066 CG LEU A 68 -20.547 18.636 -9.126 1.00 65.21 C ATOM 1067 CD1 LEU A 68 -19.634 19.789 -9.516 1.00 70.21 C ATOM 1068 CD2 LEU A 68 -20.428 18.340 -7.639 1.00 62.32 C ATOM 0 H LEU A 68 -21.968 17.070 -11.095 1.00 25.21 H new ATOM 0 HA LEU A 68 -22.889 17.317 -8.423 1.00 63.20 H new ATOM 0 HB2 LEU A 68 -22.015 19.336 -10.516 1.00 74.32 H new ATOM 0 HB3 LEU A 68 -22.351 19.752 -8.847 1.00 74.32 H new ATOM 0 HG LEU A 68 -20.236 17.749 -9.679 1.00 65.21 H new ATOM 0 HD11 LEU A 68 -18.606 19.547 -9.245 1.00 70.21 H new ATOM 0 HD12 LEU A 68 -19.696 19.955 -10.592 1.00 70.21 H new ATOM 0 HD13 LEU A 68 -19.944 20.692 -8.991 1.00 70.21 H new ATOM 0 HD21 LEU A 68 -19.389 18.118 -7.394 1.00 62.32 H new ATOM 0 HD22 LEU A 68 -20.758 19.208 -7.068 1.00 62.32 H new ATOM 0 HD23 LEU A 68 -21.051 17.482 -7.388 1.00 62.32 H new ATOM 1080 N GLN A 69 -24.981 18.091 -10.743 1.00 54.54 N ATOM 1081 CA GLN A 69 -26.343 18.532 -11.019 1.00 21.25 C ATOM 1082 C GLN A 69 -27.334 17.864 -10.073 1.00 61.23 C ATOM 1083 O GLN A 69 -28.209 18.520 -9.508 1.00 45.40 O ATOM 1084 CB GLN A 69 -26.716 18.220 -12.471 1.00 45.42 C ATOM 1085 CG GLN A 69 -27.609 19.273 -13.108 1.00 10.23 C ATOM 1086 CD GLN A 69 -28.091 18.872 -14.488 1.00 75.44 C ATOM 1087 OE1 GLN A 69 -27.517 17.989 -15.126 1.00 33.01 O ATOM 1088 NE2 GLN A 69 -29.151 19.519 -14.957 1.00 0.33 N ATOM 0 H GLN A 69 -24.522 17.623 -11.524 1.00 54.54 H new ATOM 0 HA GLN A 69 -26.389 19.610 -10.861 1.00 21.25 H new ATOM 0 HB2 GLN A 69 -25.804 18.125 -13.060 1.00 45.42 H new ATOM 0 HB3 GLN A 69 -27.222 17.255 -12.508 1.00 45.42 H new ATOM 0 HG2 GLN A 69 -28.470 19.451 -12.464 1.00 10.23 H new ATOM 0 HG3 GLN A 69 -27.063 20.214 -13.177 1.00 10.23 H new ATOM 0 HE21 GLN A 69 -29.596 20.244 -14.394 1.00 0.33 H new ATOM 0 HE22 GLN A 69 -29.520 19.291 -15.880 1.00 0.33 H new ATOM 1097 N THR A 70 -27.190 16.553 -9.902 1.00 64.03 N ATOM 1098 CA THR A 70 -28.074 15.796 -9.024 1.00 75.42 C ATOM 1099 C THR A 70 -27.281 15.052 -7.955 1.00 31.33 C ATOM 1100 O THR A 70 -27.655 13.953 -7.544 1.00 15.42 O ATOM 1101 CB THR A 70 -28.921 14.783 -9.817 1.00 71.41 C ATOM 1102 OG1 THR A 70 -28.081 14.020 -10.690 1.00 22.50 O ATOM 1103 CG2 THR A 70 -29.993 15.493 -10.630 1.00 52.44 C ATOM 0 H THR A 70 -26.470 15.994 -10.360 1.00 64.03 H new ATOM 0 HA THR A 70 -28.737 16.517 -8.545 1.00 75.42 H new ATOM 0 HB THR A 70 -29.409 14.115 -9.107 1.00 71.41 H new ATOM 0 HG1 THR A 70 -28.627 13.377 -11.189 1.00 22.50 H new ATOM 0 HG21 THR A 70 -30.578 14.757 -11.181 1.00 52.44 H new ATOM 0 HG22 THR A 70 -30.648 16.050 -9.960 1.00 52.44 H new ATOM 0 HG23 THR A 70 -29.521 16.181 -11.332 1.00 52.44 H new ATOM 1111 N GLY A 71 -26.185 15.657 -7.509 1.00 30.23 N ATOM 1112 CA GLY A 71 -25.357 15.037 -6.492 1.00 74.42 C ATOM 1113 C GLY A 71 -25.748 15.459 -5.090 1.00 72.43 C ATOM 1114 O GLY A 71 -25.818 16.651 -4.790 1.00 55.44 O ATOM 0 H GLY A 71 -25.856 16.566 -7.834 1.00 30.23 H new ATOM 0 HA2 GLY A 71 -25.434 13.953 -6.577 1.00 74.42 H new ATOM 0 HA3 GLY A 71 -24.313 15.298 -6.669 1.00 74.42 H new ATOM 1118 N SER A 72 -26.004 14.480 -4.228 1.00 50.43 N ATOM 1119 CA SER A 72 -26.396 14.757 -2.850 1.00 34.51 C ATOM 1120 C SER A 72 -25.301 15.529 -2.119 1.00 22.25 C ATOM 1121 O SER A 72 -24.312 15.943 -2.722 1.00 11.15 O ATOM 1122 CB SER A 72 -26.696 13.452 -2.111 1.00 35.41 C ATOM 1123 OG SER A 72 -25.502 12.837 -1.656 1.00 14.24 O ATOM 0 H SER A 72 -25.947 13.488 -4.459 1.00 50.43 H new ATOM 0 HA SER A 72 -27.297 15.370 -2.870 1.00 34.51 H new ATOM 0 HB2 SER A 72 -27.351 13.653 -1.263 1.00 35.41 H new ATOM 0 HB3 SER A 72 -27.231 12.770 -2.773 1.00 35.41 H new ATOM 0 HG SER A 72 -25.628 12.516 -0.739 1.00 14.24 H new ATOM 1129 N GLU A 73 -25.489 15.718 -0.818 1.00 75.05 N ATOM 1130 CA GLU A 73 -24.519 16.442 -0.003 1.00 35.43 C ATOM 1131 C GLU A 73 -23.194 15.686 0.064 1.00 61.53 C ATOM 1132 O GLU A 73 -22.127 16.291 0.162 1.00 5.24 O ATOM 1133 CB GLU A 73 -25.066 16.661 1.408 1.00 55.33 C ATOM 1134 CG GLU A 73 -25.420 15.372 2.130 1.00 41.04 C ATOM 1135 CD GLU A 73 -26.225 15.613 3.393 1.00 23.11 C ATOM 1136 OE1 GLU A 73 -25.825 16.482 4.195 1.00 63.35 O ATOM 1137 OE2 GLU A 73 -27.256 14.932 3.577 1.00 11.42 O ATOM 0 H GLU A 73 -26.303 15.381 -0.305 1.00 75.05 H new ATOM 0 HA GLU A 73 -24.342 17.411 -0.469 1.00 35.43 H new ATOM 0 HB2 GLU A 73 -24.326 17.205 1.995 1.00 55.33 H new ATOM 0 HB3 GLU A 73 -25.954 17.291 1.351 1.00 55.33 H new ATOM 0 HG2 GLU A 73 -25.988 14.728 1.459 1.00 41.04 H new ATOM 0 HG3 GLU A 73 -24.504 14.839 2.384 1.00 41.04 H new ATOM 1144 N GLU A 74 -23.273 14.360 0.012 1.00 24.55 N ATOM 1145 CA GLU A 74 -22.081 13.521 0.068 1.00 52.15 C ATOM 1146 C GLU A 74 -21.144 13.830 -1.094 1.00 35.24 C ATOM 1147 O GLU A 74 -19.923 13.866 -0.930 1.00 33.12 O ATOM 1148 CB GLU A 74 -22.469 12.042 0.047 1.00 3.00 C ATOM 1149 CG GLU A 74 -22.906 11.506 1.400 1.00 14.30 C ATOM 1150 CD GLU A 74 -24.292 10.892 1.365 1.00 72.51 C ATOM 1151 OE1 GLU A 74 -25.273 11.650 1.226 1.00 1.21 O ATOM 1152 OE2 GLU A 74 -24.394 9.652 1.477 1.00 72.43 O ATOM 0 H GLU A 74 -24.149 13.844 -0.069 1.00 24.55 H new ATOM 0 HA GLU A 74 -21.559 13.738 1.000 1.00 52.15 H new ATOM 0 HB2 GLU A 74 -23.278 11.898 -0.669 1.00 3.00 H new ATOM 0 HB3 GLU A 74 -21.620 11.458 -0.308 1.00 3.00 H new ATOM 0 HG2 GLU A 74 -22.190 10.757 1.738 1.00 14.30 H new ATOM 0 HG3 GLU A 74 -22.890 12.316 2.130 1.00 14.30 H new ATOM 1159 N LEU A 75 -21.721 14.051 -2.270 1.00 51.33 N ATOM 1160 CA LEU A 75 -20.938 14.356 -3.463 1.00 54.35 C ATOM 1161 C LEU A 75 -20.456 15.803 -3.441 1.00 1.24 C ATOM 1162 O LEU A 75 -19.384 16.119 -3.961 1.00 65.34 O ATOM 1163 CB LEU A 75 -21.770 14.102 -4.721 1.00 35.44 C ATOM 1164 CG LEU A 75 -20.994 13.636 -5.954 1.00 72.43 C ATOM 1165 CD1 LEU A 75 -21.510 12.287 -6.431 1.00 53.14 C ATOM 1166 CD2 LEU A 75 -21.091 14.669 -7.068 1.00 54.34 C ATOM 0 H LEU A 75 -22.729 14.025 -2.423 1.00 51.33 H new ATOM 0 HA LEU A 75 -20.066 13.702 -3.474 1.00 54.35 H new ATOM 0 HB2 LEU A 75 -22.526 13.353 -4.487 1.00 35.44 H new ATOM 0 HB3 LEU A 75 -22.299 15.021 -4.975 1.00 35.44 H new ATOM 0 HG LEU A 75 -19.945 13.525 -5.678 1.00 72.43 H new ATOM 0 HD11 LEU A 75 -20.946 11.971 -7.309 1.00 53.14 H new ATOM 0 HD12 LEU A 75 -21.389 11.550 -5.637 1.00 53.14 H new ATOM 0 HD13 LEU A 75 -22.566 12.372 -6.689 1.00 53.14 H new ATOM 0 HD21 LEU A 75 -20.533 14.320 -7.937 1.00 54.34 H new ATOM 0 HD22 LEU A 75 -22.136 14.812 -7.341 1.00 54.34 H new ATOM 0 HD23 LEU A 75 -20.673 15.615 -6.724 1.00 54.34 H new ATOM 1178 N ARG A 76 -21.252 16.679 -2.838 1.00 62.54 N ATOM 1179 CA ARG A 76 -20.906 18.092 -2.748 1.00 32.41 C ATOM 1180 C ARG A 76 -19.615 18.287 -1.958 1.00 64.10 C ATOM 1181 O ARG A 76 -18.673 18.921 -2.434 1.00 4.32 O ATOM 1182 CB ARG A 76 -22.042 18.877 -2.089 1.00 22.22 C ATOM 1183 CG ARG A 76 -22.409 20.153 -2.828 1.00 22.25 C ATOM 1184 CD ARG A 76 -21.616 21.343 -2.313 1.00 3.34 C ATOM 1185 NE ARG A 76 -21.837 21.572 -0.888 1.00 41.33 N ATOM 1186 CZ ARG A 76 -21.048 22.331 -0.135 1.00 64.23 C ATOM 1187 NH1 ARG A 76 -19.994 22.931 -0.668 1.00 51.14 N ATOM 1188 NH2 ARG A 76 -21.315 22.490 1.155 1.00 44.44 N ATOM 0 H ARG A 76 -22.142 16.435 -2.404 1.00 62.54 H new ATOM 0 HA ARG A 76 -20.753 18.467 -3.760 1.00 32.41 H new ATOM 0 HB2 ARG A 76 -22.923 18.239 -2.024 1.00 22.22 H new ATOM 0 HB3 ARG A 76 -21.754 19.128 -1.068 1.00 22.22 H new ATOM 0 HG2 ARG A 76 -22.222 20.024 -3.894 1.00 22.25 H new ATOM 0 HG3 ARG A 76 -23.475 20.348 -2.713 1.00 22.25 H new ATOM 0 HD2 ARG A 76 -20.554 21.176 -2.493 1.00 3.34 H new ATOM 0 HD3 ARG A 76 -21.898 22.236 -2.872 1.00 3.34 H new ATOM 0 HE ARG A 76 -22.641 21.125 -0.447 1.00 41.33 H new ATOM 0 HH11 ARG A 76 -19.786 22.811 -1.659 1.00 51.14 H new ATOM 0 HH12 ARG A 76 -19.390 23.513 -0.087 1.00 51.14 H new ATOM 0 HH21 ARG A 76 -22.126 22.030 1.569 1.00 44.44 H new ATOM 0 HH22 ARG A 76 -20.709 23.073 1.733 1.00 44.44 H new ATOM 1202 N SER A 77 -19.578 17.736 -0.749 1.00 43.13 N ATOM 1203 CA SER A 77 -18.405 17.853 0.109 1.00 75.40 C ATOM 1204 C SER A 77 -17.166 17.298 -0.587 1.00 13.02 C ATOM 1205 O SER A 77 -16.082 17.878 -0.508 1.00 44.44 O ATOM 1206 CB SER A 77 -18.636 17.115 1.429 1.00 22.22 C ATOM 1207 OG SER A 77 -19.252 17.960 2.385 1.00 33.41 O ATOM 0 H SER A 77 -20.347 17.204 -0.342 1.00 43.13 H new ATOM 0 HA SER A 77 -18.241 18.910 0.317 1.00 75.40 H new ATOM 0 HB2 SER A 77 -19.262 16.240 1.255 1.00 22.22 H new ATOM 0 HB3 SER A 77 -17.684 16.753 1.818 1.00 22.22 H new ATOM 0 HG SER A 77 -19.390 17.464 3.219 1.00 33.41 H new ATOM 1213 N LEU A 78 -17.334 16.170 -1.268 1.00 11.43 N ATOM 1214 CA LEU A 78 -16.231 15.535 -1.980 1.00 75.43 C ATOM 1215 C LEU A 78 -15.567 16.514 -2.943 1.00 71.12 C ATOM 1216 O LEU A 78 -14.370 16.785 -2.841 1.00 33.43 O ATOM 1217 CB LEU A 78 -16.730 14.308 -2.746 1.00 71.11 C ATOM 1218 CG LEU A 78 -16.416 12.950 -2.116 1.00 45.02 C ATOM 1219 CD1 LEU A 78 -14.920 12.796 -1.896 1.00 54.02 C ATOM 1220 CD2 LEU A 78 -17.171 12.784 -0.805 1.00 72.43 C ATOM 0 H LEU A 78 -18.224 15.676 -1.342 1.00 11.43 H new ATOM 0 HA LEU A 78 -15.491 15.220 -1.244 1.00 75.43 H new ATOM 0 HB2 LEU A 78 -17.811 14.391 -2.862 1.00 71.11 H new ATOM 0 HB3 LEU A 78 -16.300 14.330 -3.747 1.00 71.11 H new ATOM 0 HG LEU A 78 -16.742 12.168 -2.802 1.00 45.02 H new ATOM 0 HD11 LEU A 78 -14.716 11.824 -1.447 1.00 54.02 H new ATOM 0 HD12 LEU A 78 -14.402 12.870 -2.852 1.00 54.02 H new ATOM 0 HD13 LEU A 78 -14.567 13.584 -1.231 1.00 54.02 H new ATOM 0 HD21 LEU A 78 -16.936 11.812 -0.370 1.00 72.43 H new ATOM 0 HD22 LEU A 78 -16.876 13.572 -0.113 1.00 72.43 H new ATOM 0 HD23 LEU A 78 -18.243 12.848 -0.992 1.00 72.43 H new ATOM 1232 N TYR A 79 -16.352 17.043 -3.874 1.00 14.05 N ATOM 1233 CA TYR A 79 -15.841 17.992 -4.856 1.00 43.01 C ATOM 1234 C TYR A 79 -15.012 19.080 -4.181 1.00 73.02 C ATOM 1235 O TYR A 79 -13.969 19.488 -4.691 1.00 73.32 O ATOM 1236 CB TYR A 79 -16.996 18.626 -5.633 1.00 32.45 C ATOM 1237 CG TYR A 79 -16.608 19.097 -7.017 1.00 31.23 C ATOM 1238 CD1 TYR A 79 -16.550 18.209 -8.085 1.00 41.55 C ATOM 1239 CD2 TYR A 79 -16.297 20.430 -7.256 1.00 25.52 C ATOM 1240 CE1 TYR A 79 -16.195 18.635 -9.350 1.00 45.55 C ATOM 1241 CE2 TYR A 79 -15.942 20.865 -8.518 1.00 22.32 C ATOM 1242 CZ TYR A 79 -15.893 19.964 -9.561 1.00 20.44 C ATOM 1243 OH TYR A 79 -15.539 20.393 -10.821 1.00 64.03 O ATOM 0 H TYR A 79 -17.345 16.831 -3.970 1.00 14.05 H new ATOM 0 HA TYR A 79 -15.200 17.448 -5.550 1.00 43.01 H new ATOM 0 HB2 TYR A 79 -17.806 17.902 -5.719 1.00 32.45 H new ATOM 0 HB3 TYR A 79 -17.383 19.472 -5.066 1.00 32.45 H new ATOM 0 HD1 TYR A 79 -16.787 17.168 -7.923 1.00 41.55 H new ATOM 0 HD2 TYR A 79 -16.333 21.138 -6.441 1.00 25.52 H new ATOM 0 HE1 TYR A 79 -16.154 17.932 -10.169 1.00 45.55 H new ATOM 0 HE2 TYR A 79 -15.704 21.905 -8.687 1.00 22.32 H new ATOM 0 HH TYR A 79 -15.359 21.356 -10.800 1.00 64.03 H new ATOM 1253 N ASN A 80 -15.483 19.545 -3.028 1.00 11.25 N ATOM 1254 CA ASN A 80 -14.786 20.587 -2.282 1.00 61.42 C ATOM 1255 C ASN A 80 -13.387 20.126 -1.884 1.00 30.34 C ATOM 1256 O ASN A 80 -12.386 20.701 -2.314 1.00 42.44 O ATOM 1257 CB ASN A 80 -15.584 20.968 -1.033 1.00 32.41 C ATOM 1258 CG ASN A 80 -16.418 22.218 -1.239 1.00 74.24 C ATOM 1259 OD1 ASN A 80 -16.887 22.489 -2.345 1.00 74.21 O ATOM 1260 ND2 ASN A 80 -16.607 22.985 -0.172 1.00 41.33 N ATOM 0 H ASN A 80 -16.344 19.217 -2.590 1.00 11.25 H new ATOM 0 HA ASN A 80 -14.692 21.461 -2.926 1.00 61.42 H new ATOM 0 HB2 ASN A 80 -16.237 20.140 -0.756 1.00 32.41 H new ATOM 0 HB3 ASN A 80 -14.898 21.125 -0.201 1.00 32.41 H new ATOM 0 HD21 ASN A 80 -17.160 23.838 -0.249 1.00 41.33 H new ATOM 0 HD22 ASN A 80 -16.199 22.721 0.725 1.00 41.33 H new ATOM 1267 N THR A 81 -13.324 19.083 -1.061 1.00 10.44 N ATOM 1268 CA THR A 81 -12.048 18.546 -0.605 1.00 44.31 C ATOM 1269 C THR A 81 -11.149 18.191 -1.783 1.00 54.42 C ATOM 1270 O THR A 81 -10.006 18.647 -1.863 1.00 45.45 O ATOM 1271 CB THR A 81 -12.248 17.293 0.270 1.00 13.51 C ATOM 1272 OG1 THR A 81 -13.008 17.626 1.436 1.00 40.41 O ATOM 1273 CG2 THR A 81 -10.907 16.703 0.683 1.00 4.44 C ATOM 0 H THR A 81 -14.142 18.594 -0.697 1.00 10.44 H new ATOM 0 HA THR A 81 -11.571 19.324 -0.010 1.00 44.31 H new ATOM 0 HB THR A 81 -12.790 16.550 -0.315 1.00 13.51 H new ATOM 0 HG1 THR A 81 -13.132 16.824 1.986 1.00 40.41 H new ATOM 0 HG21 THR A 81 -11.073 15.820 1.300 1.00 4.44 H new ATOM 0 HG22 THR A 81 -10.343 16.424 -0.207 1.00 4.44 H new ATOM 0 HG23 THR A 81 -10.344 17.443 1.252 1.00 4.44 H new ATOM 1281 N ILE A 82 -11.669 17.378 -2.695 1.00 10.01 N ATOM 1282 CA ILE A 82 -10.912 16.965 -3.870 1.00 34.32 C ATOM 1283 C ILE A 82 -10.312 18.169 -4.589 1.00 33.22 C ATOM 1284 O ILE A 82 -9.153 18.143 -5.003 1.00 43.15 O ATOM 1285 CB ILE A 82 -11.791 16.178 -4.858 1.00 23.53 C ATOM 1286 CG1 ILE A 82 -12.389 14.946 -4.174 1.00 22.32 C ATOM 1287 CG2 ILE A 82 -10.982 15.770 -6.080 1.00 34.35 C ATOM 1288 CD1 ILE A 82 -13.673 14.464 -4.813 1.00 72.43 C ATOM 0 H ILE A 82 -12.612 16.992 -2.643 1.00 10.01 H new ATOM 0 HA ILE A 82 -10.109 16.318 -3.516 1.00 34.32 H new ATOM 0 HB ILE A 82 -12.607 16.822 -5.185 1.00 23.53 H new ATOM 0 HG12 ILE A 82 -11.657 14.138 -4.194 1.00 22.32 H new ATOM 0 HG13 ILE A 82 -12.579 15.178 -3.126 1.00 22.32 H new ATOM 0 HG21 ILE A 82 -11.618 15.214 -6.769 1.00 34.35 H new ATOM 0 HG22 ILE A 82 -10.600 16.661 -6.578 1.00 34.35 H new ATOM 0 HG23 ILE A 82 -10.147 15.142 -5.770 1.00 34.35 H new ATOM 0 HD11 ILE A 82 -14.040 13.589 -4.277 1.00 72.43 H new ATOM 0 HD12 ILE A 82 -14.421 15.256 -4.769 1.00 72.43 H new ATOM 0 HD13 ILE A 82 -13.485 14.200 -5.854 1.00 72.43 H new ATOM 1300 N ALA A 83 -11.108 19.223 -4.732 1.00 1.44 N ATOM 1301 CA ALA A 83 -10.654 20.438 -5.396 1.00 21.15 C ATOM 1302 C ALA A 83 -9.347 20.939 -4.793 1.00 40.44 C ATOM 1303 O ALA A 83 -8.412 21.287 -5.513 1.00 34.21 O ATOM 1304 CB ALA A 83 -11.725 21.516 -5.313 1.00 52.24 C ATOM 0 H ALA A 83 -12.071 19.260 -4.397 1.00 1.44 H new ATOM 0 HA ALA A 83 -10.471 20.203 -6.445 1.00 21.15 H new ATOM 0 HB1 ALA A 83 -11.373 22.418 -5.813 1.00 52.24 H new ATOM 0 HB2 ALA A 83 -12.635 21.163 -5.799 1.00 52.24 H new ATOM 0 HB3 ALA A 83 -11.936 21.740 -4.267 1.00 52.24 H new ATOM 1310 N VAL A 84 -9.289 20.975 -3.465 1.00 70.00 N ATOM 1311 CA VAL A 84 -8.096 21.433 -2.764 1.00 41.04 C ATOM 1312 C VAL A 84 -6.974 20.405 -2.859 1.00 14.43 C ATOM 1313 O VAL A 84 -5.841 20.738 -3.212 1.00 54.44 O ATOM 1314 CB VAL A 84 -8.392 21.718 -1.280 1.00 73.05 C ATOM 1315 CG1 VAL A 84 -7.150 22.249 -0.579 1.00 33.23 C ATOM 1316 CG2 VAL A 84 -9.549 22.695 -1.145 1.00 52.21 C ATOM 0 H VAL A 84 -10.055 20.692 -2.853 1.00 70.00 H new ATOM 0 HA VAL A 84 -7.780 22.357 -3.248 1.00 41.04 H new ATOM 0 HB VAL A 84 -8.679 20.783 -0.799 1.00 73.05 H new ATOM 0 HG11 VAL A 84 -7.379 22.444 0.469 1.00 33.23 H new ATOM 0 HG12 VAL A 84 -6.351 21.510 -0.644 1.00 33.23 H new ATOM 0 HG13 VAL A 84 -6.829 23.174 -1.059 1.00 33.23 H new ATOM 0 HG21 VAL A 84 -9.744 22.885 -0.089 1.00 52.21 H new ATOM 0 HG22 VAL A 84 -9.294 23.632 -1.641 1.00 52.21 H new ATOM 0 HG23 VAL A 84 -10.440 22.270 -1.608 1.00 52.21 H new ATOM 1326 N LEU A 85 -7.294 19.156 -2.544 1.00 40.43 N ATOM 1327 CA LEU A 85 -6.313 18.078 -2.594 1.00 61.41 C ATOM 1328 C LEU A 85 -5.559 18.089 -3.920 1.00 23.21 C ATOM 1329 O LEU A 85 -4.406 17.667 -3.993 1.00 31.54 O ATOM 1330 CB LEU A 85 -7.001 16.726 -2.397 1.00 74.31 C ATOM 1331 CG LEU A 85 -6.250 15.711 -1.534 1.00 21.24 C ATOM 1332 CD1 LEU A 85 -6.948 15.528 -0.195 1.00 53.10 C ATOM 1333 CD2 LEU A 85 -6.130 14.379 -2.261 1.00 2.02 C ATOM 0 H LEU A 85 -8.226 18.864 -2.251 1.00 40.43 H new ATOM 0 HA LEU A 85 -5.596 18.235 -1.788 1.00 61.41 H new ATOM 0 HB2 LEU A 85 -7.979 16.900 -1.949 1.00 74.31 H new ATOM 0 HB3 LEU A 85 -7.174 16.282 -3.378 1.00 74.31 H new ATOM 0 HG LEU A 85 -5.246 16.093 -1.348 1.00 21.24 H new ATOM 0 HD11 LEU A 85 -6.399 14.802 0.405 1.00 53.10 H new ATOM 0 HD12 LEU A 85 -6.982 16.482 0.331 1.00 53.10 H new ATOM 0 HD13 LEU A 85 -7.964 15.168 -0.360 1.00 53.10 H new ATOM 0 HD21 LEU A 85 -5.593 13.669 -1.633 1.00 2.02 H new ATOM 0 HD22 LEU A 85 -7.126 13.992 -2.477 1.00 2.02 H new ATOM 0 HD23 LEU A 85 -5.585 14.522 -3.194 1.00 2.02 H new ATOM 1345 N TYR A 86 -6.219 18.577 -4.965 1.00 71.41 N ATOM 1346 CA TYR A 86 -5.612 18.642 -6.289 1.00 40.52 C ATOM 1347 C TYR A 86 -4.594 19.776 -6.366 1.00 33.21 C ATOM 1348 O TYR A 86 -3.505 19.611 -6.917 1.00 74.25 O ATOM 1349 CB TYR A 86 -6.689 18.836 -7.358 1.00 71.13 C ATOM 1350 CG TYR A 86 -6.131 19.089 -8.740 1.00 2.55 C ATOM 1351 CD1 TYR A 86 -5.661 18.043 -9.524 1.00 62.13 C ATOM 1352 CD2 TYR A 86 -6.077 20.375 -9.264 1.00 12.21 C ATOM 1353 CE1 TYR A 86 -5.151 18.270 -10.787 1.00 55.13 C ATOM 1354 CE2 TYR A 86 -5.569 20.612 -10.527 1.00 71.41 C ATOM 1355 CZ TYR A 86 -5.106 19.556 -11.285 1.00 43.04 C ATOM 1356 OH TYR A 86 -4.600 19.785 -12.543 1.00 53.40 O ATOM 0 H TYR A 86 -7.174 18.933 -4.921 1.00 71.41 H new ATOM 0 HA TYR A 86 -5.095 17.700 -6.470 1.00 40.52 H new ATOM 0 HB2 TYR A 86 -7.323 17.950 -7.388 1.00 71.13 H new ATOM 0 HB3 TYR A 86 -7.325 19.674 -7.073 1.00 71.13 H new ATOM 0 HD1 TYR A 86 -5.695 17.035 -9.139 1.00 62.13 H new ATOM 0 HD2 TYR A 86 -6.439 21.204 -8.674 1.00 12.21 H new ATOM 0 HE1 TYR A 86 -4.789 17.445 -11.382 1.00 55.13 H new ATOM 0 HE2 TYR A 86 -5.535 21.618 -10.919 1.00 71.41 H new ATOM 0 HH TYR A 86 -4.641 20.744 -12.743 1.00 53.40 H new ATOM 1366 N CYS A 87 -4.957 20.926 -5.809 1.00 0.22 N ATOM 1367 CA CYS A 87 -4.076 22.089 -5.813 1.00 54.31 C ATOM 1368 C CYS A 87 -2.838 21.836 -4.959 1.00 30.15 C ATOM 1369 O CYS A 87 -1.803 22.479 -5.141 1.00 22.31 O ATOM 1370 CB CYS A 87 -4.821 23.322 -5.300 1.00 62.02 C ATOM 1371 SG CYS A 87 -5.103 23.323 -3.514 1.00 60.12 S ATOM 0 H CYS A 87 -5.855 21.078 -5.349 1.00 0.22 H new ATOM 0 HA CYS A 87 -3.757 22.268 -6.840 1.00 54.31 H new ATOM 0 HB2 CYS A 87 -4.254 24.214 -5.568 1.00 62.02 H new ATOM 0 HB3 CYS A 87 -5.782 23.390 -5.809 1.00 62.02 H new ATOM 0 HG CYS A 87 -5.460 22.133 -3.130 1.00 60.12 H new ATOM 1377 N VAL A 88 -2.951 20.897 -4.026 1.00 34.34 N ATOM 1378 CA VAL A 88 -1.840 20.559 -3.144 1.00 62.34 C ATOM 1379 C VAL A 88 -0.765 19.775 -3.887 1.00 33.33 C ATOM 1380 O VAL A 88 0.428 19.946 -3.636 1.00 21.54 O ATOM 1381 CB VAL A 88 -2.317 19.733 -1.933 1.00 2.02 C ATOM 1382 CG1 VAL A 88 -1.139 19.349 -1.051 1.00 34.22 C ATOM 1383 CG2 VAL A 88 -3.359 20.506 -1.139 1.00 72.14 C ATOM 0 H VAL A 88 -3.800 20.357 -3.861 1.00 34.34 H new ATOM 0 HA VAL A 88 -1.419 21.501 -2.791 1.00 62.34 H new ATOM 0 HB VAL A 88 -2.779 18.816 -2.299 1.00 2.02 H new ATOM 0 HG11 VAL A 88 -1.495 18.766 -0.201 1.00 34.22 H new ATOM 0 HG12 VAL A 88 -0.431 18.754 -1.628 1.00 34.22 H new ATOM 0 HG13 VAL A 88 -0.645 20.251 -0.691 1.00 34.22 H new ATOM 0 HG21 VAL A 88 -3.685 19.908 -0.288 1.00 72.14 H new ATOM 0 HG22 VAL A 88 -2.925 21.440 -0.782 1.00 72.14 H new ATOM 0 HG23 VAL A 88 -4.215 20.724 -1.778 1.00 72.14 H new ATOM 1393 N HIS A 89 -1.195 18.915 -4.805 1.00 1.00 N ATOM 1394 CA HIS A 89 -0.269 18.104 -5.589 1.00 40.33 C ATOM 1395 C HIS A 89 0.236 18.880 -6.803 1.00 70.53 C ATOM 1396 O HIS A 89 1.403 18.691 -7.146 1.00 0.22 O ATOM 1397 CB HIS A 89 -0.947 16.811 -6.042 1.00 42.22 C ATOM 1398 CG HIS A 89 -1.451 15.971 -4.909 1.00 51.20 C ATOM 1399 ND1 HIS A 89 -0.658 15.580 -3.850 1.00 44.22 N ATOM 1400 CD2 HIS A 89 -2.677 15.447 -4.672 1.00 54.23 C ATOM 1401 CE1 HIS A 89 -1.374 14.853 -3.012 1.00 24.33 C ATOM 1402 NE2 HIS A 89 -2.603 14.757 -3.488 1.00 61.42 N ATOM 0 H HIS A 89 -2.179 18.761 -5.025 1.00 1.00 H new ATOM 0 HA HIS A 89 0.583 17.855 -4.957 1.00 40.33 H new ATOM 0 HB2 HIS A 89 -1.781 17.058 -6.699 1.00 42.22 H new ATOM 0 HB3 HIS A 89 -0.240 16.226 -6.631 1.00 42.22 H new ATOM 0 HD1 HIS A 89 0.327 15.816 -3.733 1.00 44.22 H new ATOM 0 HD2 HIS A 89 -3.551 15.552 -5.298 1.00 54.23 H new ATOM 0 HE1 HIS A 89 -1.016 14.412 -2.094 1.00 24.33 H new ATOM 1411 N GLN A 90 -0.580 19.715 -7.436 1.00 2.30 N ATOM 1412 CA GLN A 90 -0.142 20.475 -8.601 1.00 74.04 C ATOM 1413 C GLN A 90 0.520 21.784 -8.178 1.00 33.33 C ATOM 1414 O GLN A 90 0.958 22.568 -9.020 1.00 12.54 O ATOM 1415 CB GLN A 90 -1.326 20.763 -9.524 1.00 12.12 C ATOM 1416 CG GLN A 90 -1.287 19.981 -10.826 1.00 30.41 C ATOM 1417 CD GLN A 90 0.033 20.128 -11.556 1.00 32.43 C ATOM 1418 OE1 GLN A 90 0.591 21.223 -11.640 1.00 3.00 O ATOM 1419 NE2 GLN A 90 0.541 19.024 -12.091 1.00 20.53 N ATOM 0 H GLN A 90 -1.548 19.883 -7.162 1.00 2.30 H new ATOM 0 HA GLN A 90 0.591 19.875 -9.141 1.00 74.04 H new ATOM 0 HB2 GLN A 90 -2.251 20.530 -8.997 1.00 12.12 H new ATOM 0 HB3 GLN A 90 -1.348 21.829 -9.751 1.00 12.12 H new ATOM 0 HG2 GLN A 90 -1.467 18.926 -10.617 1.00 30.41 H new ATOM 0 HG3 GLN A 90 -2.096 20.320 -11.473 1.00 30.41 H new ATOM 0 HE21 GLN A 90 0.045 18.137 -11.998 1.00 20.53 H new ATOM 0 HE22 GLN A 90 1.427 19.063 -12.595 1.00 20.53 H new ATOM 1428 N ARG A 91 0.588 22.012 -6.871 1.00 22.23 N ATOM 1429 CA ARG A 91 1.194 23.225 -6.338 1.00 11.40 C ATOM 1430 C ARG A 91 0.454 24.465 -6.832 1.00 72.15 C ATOM 1431 O ARG A 91 1.073 25.449 -7.237 1.00 23.34 O ATOM 1432 CB ARG A 91 2.668 23.305 -6.741 1.00 74.44 C ATOM 1433 CG ARG A 91 3.490 24.236 -5.866 1.00 1.35 C ATOM 1434 CD ARG A 91 4.510 23.470 -5.038 1.00 4.24 C ATOM 1435 NE ARG A 91 5.334 24.359 -4.226 1.00 53.34 N ATOM 1436 CZ ARG A 91 6.328 23.937 -3.452 1.00 72.33 C ATOM 1437 NH1 ARG A 91 6.619 22.644 -3.387 1.00 15.44 N ATOM 1438 NH2 ARG A 91 7.033 24.808 -2.741 1.00 34.53 N ATOM 0 H ARG A 91 0.231 21.372 -6.162 1.00 22.23 H new ATOM 0 HA ARG A 91 1.123 23.188 -5.251 1.00 11.40 H new ATOM 0 HB2 ARG A 91 3.101 22.306 -6.701 1.00 74.44 H new ATOM 0 HB3 ARG A 91 2.735 23.640 -7.776 1.00 74.44 H new ATOM 0 HG2 ARG A 91 4.003 24.966 -6.492 1.00 1.35 H new ATOM 0 HG3 ARG A 91 2.828 24.793 -5.204 1.00 1.35 H new ATOM 0 HD2 ARG A 91 3.993 22.762 -4.390 1.00 4.24 H new ATOM 0 HD3 ARG A 91 5.150 22.887 -5.700 1.00 4.24 H new ATOM 0 HE ARG A 91 5.136 25.359 -4.254 1.00 53.34 H new ATOM 0 HH11 ARG A 91 6.079 21.972 -3.932 1.00 15.44 H new ATOM 0 HH12 ARG A 91 7.383 22.322 -2.792 1.00 15.44 H new ATOM 0 HH21 ARG A 91 6.812 25.803 -2.788 1.00 34.53 H new ATOM 0 HH22 ARG A 91 7.796 24.483 -2.147 1.00 34.53 H new ATOM 1452 N ILE A 92 -0.873 24.409 -6.794 1.00 42.33 N ATOM 1453 CA ILE A 92 -1.697 25.527 -7.237 1.00 61.45 C ATOM 1454 C ILE A 92 -2.076 26.428 -6.066 1.00 51.12 C ATOM 1455 O ILE A 92 -2.822 26.023 -5.175 1.00 64.25 O ATOM 1456 CB ILE A 92 -2.982 25.039 -7.932 1.00 44.15 C ATOM 1457 CG1 ILE A 92 -2.635 24.210 -9.170 1.00 54.23 C ATOM 1458 CG2 ILE A 92 -3.862 26.221 -8.308 1.00 1.45 C ATOM 1459 CD1 ILE A 92 -3.760 23.310 -9.630 1.00 42.41 C ATOM 0 H ILE A 92 -1.400 23.602 -6.461 1.00 42.33 H new ATOM 0 HA ILE A 92 -1.101 26.095 -7.951 1.00 61.45 H new ATOM 0 HB ILE A 92 -3.535 24.406 -7.238 1.00 44.15 H new ATOM 0 HG12 ILE A 92 -2.363 24.883 -9.983 1.00 54.23 H new ATOM 0 HG13 ILE A 92 -1.758 23.600 -8.955 1.00 54.23 H new ATOM 0 HG21 ILE A 92 -4.766 25.860 -8.798 1.00 1.45 H new ATOM 0 HG22 ILE A 92 -4.133 26.774 -7.408 1.00 1.45 H new ATOM 0 HG23 ILE A 92 -3.318 26.878 -8.987 1.00 1.45 H new ATOM 0 HD11 ILE A 92 -3.443 22.753 -10.512 1.00 42.41 H new ATOM 0 HD12 ILE A 92 -4.017 22.612 -8.833 1.00 42.41 H new ATOM 0 HD13 ILE A 92 -4.632 23.915 -9.878 1.00 42.41 H new ATOM 1471 N ASP A 93 -1.560 27.652 -6.077 1.00 34.02 N ATOM 1472 CA ASP A 93 -1.847 28.612 -5.018 1.00 53.42 C ATOM 1473 C ASP A 93 -3.351 28.774 -4.824 1.00 22.21 C ATOM 1474 O ASP A 93 -4.096 28.959 -5.786 1.00 35.44 O ATOM 1475 CB ASP A 93 -1.212 29.966 -5.342 1.00 21.34 C ATOM 1476 CG ASP A 93 -0.118 30.342 -4.363 1.00 12.51 C ATOM 1477 OD1 ASP A 93 0.554 29.427 -3.845 1.00 21.53 O ATOM 1478 OD2 ASP A 93 0.066 31.552 -4.115 1.00 14.10 O ATOM 0 H ASP A 93 -0.941 28.003 -6.808 1.00 34.02 H new ATOM 0 HA ASP A 93 -1.419 28.232 -4.091 1.00 53.42 H new ATOM 0 HB2 ASP A 93 -0.799 29.938 -6.350 1.00 21.34 H new ATOM 0 HB3 ASP A 93 -1.983 30.737 -5.334 1.00 21.34 H new ATOM 1483 N VAL A 94 -3.792 28.702 -3.572 1.00 41.32 N ATOM 1484 CA VAL A 94 -5.207 28.842 -3.252 1.00 64.25 C ATOM 1485 C VAL A 94 -5.400 29.528 -1.904 1.00 22.11 C ATOM 1486 O VAL A 94 -4.944 29.036 -0.872 1.00 54.10 O ATOM 1487 CB VAL A 94 -5.913 27.473 -3.224 1.00 71.24 C ATOM 1488 CG1 VAL A 94 -6.202 26.992 -4.637 1.00 31.00 C ATOM 1489 CG2 VAL A 94 -5.073 26.455 -2.467 1.00 0.20 C ATOM 0 H VAL A 94 -3.190 28.548 -2.763 1.00 41.32 H new ATOM 0 HA VAL A 94 -5.650 29.456 -4.036 1.00 64.25 H new ATOM 0 HB VAL A 94 -6.864 27.585 -2.702 1.00 71.24 H new ATOM 0 HG11 VAL A 94 -6.701 26.024 -4.597 1.00 31.00 H new ATOM 0 HG12 VAL A 94 -6.847 27.712 -5.142 1.00 31.00 H new ATOM 0 HG13 VAL A 94 -5.266 26.895 -5.187 1.00 31.00 H new ATOM 0 HG21 VAL A 94 -5.587 25.494 -2.457 1.00 0.20 H new ATOM 0 HG22 VAL A 94 -4.106 26.344 -2.958 1.00 0.20 H new ATOM 0 HG23 VAL A 94 -4.923 26.797 -1.443 1.00 0.20 H new ATOM 1499 N LYS A 95 -6.082 30.669 -1.920 1.00 33.41 N ATOM 1500 CA LYS A 95 -6.339 31.424 -0.700 1.00 42.30 C ATOM 1501 C LYS A 95 -7.331 30.689 0.197 1.00 11.51 C ATOM 1502 O LYS A 95 -7.379 30.921 1.405 1.00 75.20 O ATOM 1503 CB LYS A 95 -6.877 32.816 -1.040 1.00 20.41 C ATOM 1504 CG LYS A 95 -6.122 33.943 -0.359 1.00 10.54 C ATOM 1505 CD LYS A 95 -5.158 34.627 -1.315 1.00 52.35 C ATOM 1506 CE LYS A 95 -4.356 35.714 -0.615 1.00 23.32 C ATOM 1507 NZ LYS A 95 -5.199 36.893 -0.275 1.00 72.23 N ATOM 0 H LYS A 95 -6.467 31.091 -2.765 1.00 33.41 H new ATOM 0 HA LYS A 95 -5.397 31.527 -0.162 1.00 42.30 H new ATOM 0 HB2 LYS A 95 -6.832 32.960 -2.119 1.00 20.41 H new ATOM 0 HB3 LYS A 95 -7.928 32.870 -0.755 1.00 20.41 H new ATOM 0 HG2 LYS A 95 -6.831 34.674 0.029 1.00 10.54 H new ATOM 0 HG3 LYS A 95 -5.571 33.549 0.495 1.00 10.54 H new ATOM 0 HD2 LYS A 95 -4.478 33.888 -1.739 1.00 52.35 H new ATOM 0 HD3 LYS A 95 -5.714 35.062 -2.145 1.00 52.35 H new ATOM 0 HE2 LYS A 95 -3.913 35.310 0.295 1.00 23.32 H new ATOM 0 HE3 LYS A 95 -3.533 36.029 -1.257 1.00 23.32 H new ATOM 0 HZ1 LYS A 95 -4.606 37.632 0.154 1.00 72.23 H new ATOM 0 HZ2 LYS A 95 -5.642 37.264 -1.140 1.00 72.23 H new ATOM 0 HZ3 LYS A 95 -5.939 36.608 0.398 1.00 72.23 H new ATOM 1521 N ASP A 96 -8.118 29.804 -0.403 1.00 64.35 N ATOM 1522 CA ASP A 96 -9.107 29.033 0.342 1.00 43.02 C ATOM 1523 C ASP A 96 -9.776 27.996 -0.554 1.00 33.24 C ATOM 1524 O ASP A 96 -9.530 27.950 -1.760 1.00 35.43 O ATOM 1525 CB ASP A 96 -10.163 29.963 0.943 1.00 51.11 C ATOM 1526 CG ASP A 96 -10.648 31.004 -0.047 1.00 3.34 C ATOM 1527 OD1 ASP A 96 -11.168 30.612 -1.113 1.00 2.10 O ATOM 1528 OD2 ASP A 96 -10.509 32.210 0.244 1.00 73.03 O ATOM 0 H ASP A 96 -8.091 29.602 -1.402 1.00 64.35 H new ATOM 0 HA ASP A 96 -8.592 28.511 1.148 1.00 43.02 H new ATOM 0 HB2 ASP A 96 -11.011 29.371 1.288 1.00 51.11 H new ATOM 0 HB3 ASP A 96 -9.747 30.463 1.817 1.00 51.11 H new ATOM 1533 N THR A 97 -10.624 27.164 0.042 1.00 71.21 N ATOM 1534 CA THR A 97 -11.326 26.125 -0.701 1.00 0.24 C ATOM 1535 C THR A 97 -12.235 26.731 -1.766 1.00 73.41 C ATOM 1536 O THR A 97 -12.677 26.040 -2.685 1.00 51.22 O ATOM 1537 CB THR A 97 -12.170 25.238 0.233 1.00 54.23 C ATOM 1538 OG1 THR A 97 -11.347 24.705 1.278 1.00 2.13 O ATOM 1539 CG2 THR A 97 -12.817 24.099 -0.540 1.00 51.41 C ATOM 0 H THR A 97 -10.841 27.190 1.038 1.00 71.21 H new ATOM 0 HA THR A 97 -10.565 25.511 -1.182 1.00 0.24 H new ATOM 0 HB THR A 97 -12.957 25.853 0.668 1.00 54.23 H new ATOM 0 HG1 THR A 97 -11.258 23.736 1.162 1.00 2.13 H new ATOM 0 HG21 THR A 97 -13.408 23.486 0.141 1.00 51.41 H new ATOM 0 HG22 THR A 97 -13.465 24.507 -1.315 1.00 51.41 H new ATOM 0 HG23 THR A 97 -12.042 23.486 -1.000 1.00 51.41 H new ATOM 1547 N LYS A 98 -12.509 28.024 -1.636 1.00 10.12 N ATOM 1548 CA LYS A 98 -13.363 28.724 -2.588 1.00 22.30 C ATOM 1549 C LYS A 98 -12.616 29.001 -3.889 1.00 21.11 C ATOM 1550 O LYS A 98 -13.172 28.856 -4.977 1.00 62.21 O ATOM 1551 CB LYS A 98 -13.863 30.038 -1.985 1.00 24.00 C ATOM 1552 CG LYS A 98 -15.247 30.442 -2.467 1.00 32.20 C ATOM 1553 CD LYS A 98 -16.335 29.638 -1.773 1.00 12.45 C ATOM 1554 CE LYS A 98 -17.120 28.792 -2.764 1.00 42.22 C ATOM 1555 NZ LYS A 98 -17.888 29.632 -3.725 1.00 50.24 N ATOM 0 H LYS A 98 -12.152 28.609 -0.880 1.00 10.12 H new ATOM 0 HA LYS A 98 -14.217 28.084 -2.810 1.00 22.30 H new ATOM 0 HB2 LYS A 98 -13.878 29.947 -0.899 1.00 24.00 H new ATOM 0 HB3 LYS A 98 -13.157 30.832 -2.229 1.00 24.00 H new ATOM 0 HG2 LYS A 98 -15.403 31.504 -2.280 1.00 32.20 H new ATOM 0 HG3 LYS A 98 -15.316 30.295 -3.545 1.00 32.20 H new ATOM 0 HD2 LYS A 98 -15.887 28.993 -1.017 1.00 12.45 H new ATOM 0 HD3 LYS A 98 -17.013 30.314 -1.253 1.00 12.45 H new ATOM 0 HE2 LYS A 98 -16.435 28.147 -3.313 1.00 42.22 H new ATOM 0 HE3 LYS A 98 -17.806 28.141 -2.222 1.00 42.22 H new ATOM 0 HZ1 LYS A 98 -18.630 29.057 -4.173 1.00 50.24 H new ATOM 0 HZ2 LYS A 98 -18.326 30.427 -3.218 1.00 50.24 H new ATOM 0 HZ3 LYS A 98 -17.245 29.999 -4.456 1.00 50.24 H new ATOM 1569 N GLU A 99 -11.354 29.399 -3.768 1.00 73.31 N ATOM 1570 CA GLU A 99 -10.531 29.695 -4.935 1.00 23.13 C ATOM 1571 C GLU A 99 -10.359 28.455 -5.808 1.00 62.12 C ATOM 1572 O GLU A 99 -10.889 28.385 -6.917 1.00 15.40 O ATOM 1573 CB GLU A 99 -9.162 30.221 -4.502 1.00 52.11 C ATOM 1574 CG GLU A 99 -8.761 31.514 -5.190 1.00 15.11 C ATOM 1575 CD GLU A 99 -7.765 31.293 -6.312 1.00 11.45 C ATOM 1576 OE1 GLU A 99 -7.681 30.152 -6.814 1.00 4.40 O ATOM 1577 OE2 GLU A 99 -7.070 32.260 -6.689 1.00 0.24 O ATOM 0 H GLU A 99 -10.879 29.524 -2.874 1.00 73.31 H new ATOM 0 HA GLU A 99 -11.038 30.463 -5.520 1.00 23.13 H new ATOM 0 HB2 GLU A 99 -9.168 30.380 -3.424 1.00 52.11 H new ATOM 0 HB3 GLU A 99 -8.408 29.461 -4.708 1.00 52.11 H new ATOM 0 HG2 GLU A 99 -9.651 32.000 -5.590 1.00 15.11 H new ATOM 0 HG3 GLU A 99 -8.330 32.194 -4.455 1.00 15.11 H new ATOM 1584 N ALA A 100 -9.615 27.479 -5.298 1.00 32.44 N ATOM 1585 CA ALA A 100 -9.374 26.241 -6.029 1.00 22.22 C ATOM 1586 C ALA A 100 -10.636 25.770 -6.744 1.00 40.12 C ATOM 1587 O ALA A 100 -10.578 25.277 -7.871 1.00 35.23 O ATOM 1588 CB ALA A 100 -8.865 25.161 -5.086 1.00 24.22 C ATOM 0 H ALA A 100 -9.169 27.522 -4.382 1.00 32.44 H new ATOM 0 HA ALA A 100 -8.612 26.437 -6.784 1.00 22.22 H new ATOM 0 HB1 ALA A 100 -8.689 24.242 -5.646 1.00 24.22 H new ATOM 0 HB2 ALA A 100 -7.933 25.489 -4.626 1.00 24.22 H new ATOM 0 HB3 ALA A 100 -9.607 24.976 -4.310 1.00 24.22 H new ATOM 1594 N LEU A 101 -11.778 25.924 -6.081 1.00 12.44 N ATOM 1595 CA LEU A 101 -13.055 25.514 -6.653 1.00 3.33 C ATOM 1596 C LEU A 101 -13.334 26.259 -7.954 1.00 14.32 C ATOM 1597 O LEU A 101 -13.473 25.648 -9.014 1.00 13.11 O ATOM 1598 CB LEU A 101 -14.187 25.767 -5.656 1.00 61.22 C ATOM 1599 CG LEU A 101 -15.357 24.783 -5.705 1.00 63.33 C ATOM 1600 CD1 LEU A 101 -16.055 24.852 -7.054 1.00 64.31 C ATOM 1601 CD2 LEU A 101 -14.876 23.367 -5.424 1.00 51.03 C ATOM 0 H LEU A 101 -11.845 26.330 -5.148 1.00 12.44 H new ATOM 0 HA LEU A 101 -13.001 24.447 -6.871 1.00 3.33 H new ATOM 0 HB2 LEU A 101 -13.768 25.753 -4.650 1.00 61.22 H new ATOM 0 HB3 LEU A 101 -14.576 26.771 -5.825 1.00 61.22 H new ATOM 0 HG LEU A 101 -16.074 25.062 -4.932 1.00 63.33 H new ATOM 0 HD11 LEU A 101 -16.885 24.145 -7.071 1.00 64.31 H new ATOM 0 HD12 LEU A 101 -16.434 25.861 -7.216 1.00 64.31 H new ATOM 0 HD13 LEU A 101 -15.347 24.599 -7.843 1.00 64.31 H new ATOM 0 HD21 LEU A 101 -15.722 22.681 -5.463 1.00 51.03 H new ATOM 0 HD22 LEU A 101 -14.139 23.078 -6.173 1.00 51.03 H new ATOM 0 HD23 LEU A 101 -14.422 23.327 -4.434 1.00 51.03 H new ATOM 1613 N ASP A 102 -13.413 27.582 -7.867 1.00 11.52 N ATOM 1614 CA ASP A 102 -13.671 28.412 -9.039 1.00 64.02 C ATOM 1615 C ASP A 102 -12.543 28.282 -10.056 1.00 73.21 C ATOM 1616 O ASP A 102 -12.746 28.479 -11.255 1.00 61.50 O ATOM 1617 CB ASP A 102 -13.837 29.875 -8.627 1.00 44.21 C ATOM 1618 CG ASP A 102 -15.287 30.321 -8.642 1.00 22.41 C ATOM 1619 OD1 ASP A 102 -16.036 29.930 -7.723 1.00 43.41 O ATOM 1620 OD2 ASP A 102 -15.672 31.057 -9.574 1.00 11.20 O ATOM 0 H ASP A 102 -13.302 28.103 -6.997 1.00 11.52 H new ATOM 0 HA ASP A 102 -14.595 28.066 -9.503 1.00 64.02 H new ATOM 0 HB2 ASP A 102 -13.427 30.016 -7.627 1.00 44.21 H new ATOM 0 HB3 ASP A 102 -13.259 30.507 -9.301 1.00 44.21 H new ATOM 1625 N LYS A 103 -11.350 27.952 -9.571 1.00 44.00 N ATOM 1626 CA LYS A 103 -10.188 27.795 -10.437 1.00 13.22 C ATOM 1627 C LYS A 103 -10.298 26.523 -11.271 1.00 31.22 C ATOM 1628 O LYS A 103 -9.748 26.441 -12.370 1.00 22.13 O ATOM 1629 CB LYS A 103 -8.905 27.761 -9.603 1.00 41.24 C ATOM 1630 CG LYS A 103 -7.871 28.787 -10.034 1.00 62.55 C ATOM 1631 CD LYS A 103 -8.419 30.201 -9.946 1.00 50.43 C ATOM 1632 CE LYS A 103 -8.519 30.847 -11.320 1.00 74.13 C ATOM 1633 NZ LYS A 103 -7.179 31.047 -11.937 1.00 74.00 N ATOM 0 H LYS A 103 -11.163 27.788 -8.582 1.00 44.00 H new ATOM 0 HA LYS A 103 -10.153 28.649 -11.113 1.00 13.22 H new ATOM 0 HB2 LYS A 103 -9.158 27.930 -8.556 1.00 41.24 H new ATOM 0 HB3 LYS A 103 -8.466 26.766 -9.668 1.00 41.24 H new ATOM 0 HG2 LYS A 103 -6.985 28.699 -9.405 1.00 62.55 H new ATOM 0 HG3 LYS A 103 -7.557 28.581 -11.057 1.00 62.55 H new ATOM 0 HD2 LYS A 103 -9.404 30.182 -9.479 1.00 50.43 H new ATOM 0 HD3 LYS A 103 -7.774 30.803 -9.306 1.00 50.43 H new ATOM 0 HE2 LYS A 103 -9.129 30.222 -11.972 1.00 74.13 H new ATOM 0 HE3 LYS A 103 -9.026 31.808 -11.234 1.00 74.13 H new ATOM 0 HZ1 LYS A 103 -7.244 31.769 -12.683 1.00 74.00 H new ATOM 0 HZ2 LYS A 103 -6.505 31.361 -11.210 1.00 74.00 H new ATOM 0 HZ3 LYS A 103 -6.850 30.151 -12.350 1.00 74.00 H new