USER MOD reduce.3.24.130724 H: found=0, std=0, add=810, rem=0, adj=19 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= 0.0984 K(o=-0.79,f=-2) USER MOD Set 1.2: A 79 TYR OH : rot 180:sc= -0.885 USER MOD Set 2.1: A 59 GLN : amide:sc= -0.0176 K(o=-1,f=-2.7) USER MOD Set 2.2: A 63 GLN : amide:sc= -1.03 X(o=-1,f=-0.58) USER MOD Set 3.1: A 29 TYR OH : rot 152:sc= -0.214 USER MOD Set 3.2: A 97 THR OG1 : rot 53:sc= -0.0427 USER MOD Single : A 6 SER OG : rot -2:sc= 0.824 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0814) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -0.796 K(o=-0.8,f=-8.7!) USER MOD Single : A 38 SER OG : rot 180:sc= -0.916 USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.348 USER MOD Single : A 54 SER OG : rot 180:sc= -0.0246 USER MOD Single : A 57 CYS SG : rot 180:sc= -0.605 USER MOD Single : A 67 SER OG : rot 98:sc=0.000683 USER MOD Single : A 69 GLN : amide:sc= -0.82 X(o=-0.82,f=-1.3) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 123:sc= 0.716 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -0.705 K(o=-0.7,f=-2.7) USER MOD Single : A 81 THR OG1 : rot 84:sc= 1.2 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 CYS SG : rot 180:sc= 0 USER MOD Single : A 89 HIS : no HE2:sc= -0.433 K(o=-0.37,f=-2.7!) USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000947) USER MOD ----------------------------------------------------------------- ATOM 52 N SER A 6 0.663 8.010 3.040 1.00 41.42 N ATOM 53 CA SER A 6 -0.185 9.186 3.194 1.00 73.22 C ATOM 54 C SER A 6 -0.505 9.806 1.836 1.00 34.23 C ATOM 55 O SER A 6 0.209 9.588 0.857 1.00 1.45 O ATOM 56 CB SER A 6 0.497 10.220 4.091 1.00 11.23 C ATOM 57 OG SER A 6 1.865 9.903 4.285 1.00 61.14 O ATOM 0 HA SER A 6 -1.119 8.871 3.660 1.00 73.22 H new ATOM 0 HB2 SER A 6 0.410 11.210 3.642 1.00 11.23 H new ATOM 0 HB3 SER A 6 -0.010 10.261 5.055 1.00 11.23 H new ATOM 0 HG SER A 6 2.073 9.060 3.830 1.00 61.14 H new ATOM 63 N VAL A 7 -1.582 10.583 1.787 1.00 4.01 N ATOM 64 CA VAL A 7 -1.997 11.236 0.552 1.00 61.05 C ATOM 65 C VAL A 7 -1.106 12.433 0.237 1.00 73.24 C ATOM 66 O VAL A 7 -0.743 12.664 -0.918 1.00 12.34 O ATOM 67 CB VAL A 7 -3.461 11.707 0.629 1.00 20.23 C ATOM 68 CG1 VAL A 7 -3.804 12.586 -0.563 1.00 65.30 C ATOM 69 CG2 VAL A 7 -4.401 10.514 0.711 1.00 45.32 C ATOM 0 H VAL A 7 -2.183 10.775 2.588 1.00 4.01 H new ATOM 0 HA VAL A 7 -1.903 10.496 -0.243 1.00 61.05 H new ATOM 0 HB VAL A 7 -3.585 12.301 1.534 1.00 20.23 H new ATOM 0 HG11 VAL A 7 -4.843 12.909 -0.490 1.00 65.30 H new ATOM 0 HG12 VAL A 7 -3.152 13.460 -0.570 1.00 65.30 H new ATOM 0 HG13 VAL A 7 -3.663 12.021 -1.484 1.00 65.30 H new ATOM 0 HG21 VAL A 7 -5.431 10.866 0.765 1.00 45.32 H new ATOM 0 HG22 VAL A 7 -4.276 9.891 -0.174 1.00 45.32 H new ATOM 0 HG23 VAL A 7 -4.170 9.929 1.602 1.00 45.32 H new ATOM 79 N LEU A 8 -0.756 13.191 1.270 1.00 4.42 N ATOM 80 CA LEU A 8 0.095 14.364 1.105 1.00 25.12 C ATOM 81 C LEU A 8 1.460 14.142 1.746 1.00 2.20 C ATOM 82 O LEU A 8 1.559 13.603 2.848 1.00 34.53 O ATOM 83 CB LEU A 8 -0.577 15.595 1.719 1.00 35.13 C ATOM 84 CG LEU A 8 -1.808 16.125 0.984 1.00 33.30 C ATOM 85 CD1 LEU A 8 -2.482 17.220 1.795 1.00 71.43 C ATOM 86 CD2 LEU A 8 -1.424 16.640 -0.396 1.00 21.50 C ATOM 0 H LEU A 8 -1.048 13.014 2.231 1.00 4.42 H new ATOM 0 HA LEU A 8 0.240 14.531 0.038 1.00 25.12 H new ATOM 0 HB2 LEU A 8 -0.865 15.354 2.742 1.00 35.13 H new ATOM 0 HB3 LEU A 8 0.160 16.396 1.776 1.00 35.13 H new ATOM 0 HG LEU A 8 -2.515 15.305 0.860 1.00 33.30 H new ATOM 0 HD11 LEU A 8 -3.356 17.586 1.257 1.00 71.43 H new ATOM 0 HD12 LEU A 8 -2.792 16.820 2.760 1.00 71.43 H new ATOM 0 HD13 LEU A 8 -1.782 18.041 1.950 1.00 71.43 H new ATOM 0 HD21 LEU A 8 -2.312 17.013 -0.905 1.00 21.50 H new ATOM 0 HD22 LEU A 8 -0.698 17.447 -0.294 1.00 21.50 H new ATOM 0 HD23 LEU A 8 -0.986 15.829 -0.978 1.00 21.50 H new ATOM 98 N SER A 9 2.511 14.563 1.050 1.00 74.11 N ATOM 99 CA SER A 9 3.872 14.408 1.550 1.00 11.31 C ATOM 100 C SER A 9 4.180 15.454 2.618 1.00 42.42 C ATOM 101 O SER A 9 3.276 16.093 3.155 1.00 33.21 O ATOM 102 CB SER A 9 4.876 14.524 0.402 1.00 30.33 C ATOM 103 OG SER A 9 5.583 13.310 0.218 1.00 10.15 O ATOM 0 H SER A 9 2.446 15.014 0.138 1.00 74.11 H new ATOM 0 HA SER A 9 3.958 13.419 1.999 1.00 11.31 H new ATOM 0 HB2 SER A 9 4.353 14.787 -0.517 1.00 30.33 H new ATOM 0 HB3 SER A 9 5.579 15.330 0.610 1.00 30.33 H new ATOM 0 HG SER A 9 6.217 13.410 -0.523 1.00 10.15 H new ATOM 109 N GLY A 10 5.463 15.621 2.920 1.00 35.21 N ATOM 110 CA GLY A 10 5.869 16.589 3.923 1.00 74.44 C ATOM 111 C GLY A 10 5.648 18.020 3.470 1.00 4.53 C ATOM 112 O GLY A 10 4.913 18.772 4.109 1.00 44.04 O ATOM 0 H GLY A 10 6.229 15.104 2.489 1.00 35.21 H new ATOM 0 HA2 GLY A 10 5.310 16.412 4.842 1.00 74.44 H new ATOM 0 HA3 GLY A 10 6.923 16.444 4.158 1.00 74.44 H new ATOM 116 N GLY A 11 6.286 18.395 2.366 1.00 22.21 N ATOM 117 CA GLY A 11 6.142 19.745 1.850 1.00 54.42 C ATOM 118 C GLY A 11 4.713 20.069 1.465 1.00 43.34 C ATOM 119 O GLY A 11 4.311 21.232 1.470 1.00 23.14 O ATOM 0 H GLY A 11 6.899 17.790 1.820 1.00 22.21 H new ATOM 0 HA2 GLY A 11 6.482 20.456 2.602 1.00 54.42 H new ATOM 0 HA3 GLY A 11 6.786 19.869 0.980 1.00 54.42 H new ATOM 123 N GLU A 12 3.943 19.038 1.130 1.00 75.15 N ATOM 124 CA GLU A 12 2.550 19.221 0.738 1.00 54.43 C ATOM 125 C GLU A 12 1.658 19.389 1.963 1.00 24.23 C ATOM 126 O GLU A 12 0.747 20.218 1.974 1.00 34.42 O ATOM 127 CB GLU A 12 2.072 18.031 -0.097 1.00 21.12 C ATOM 128 CG GLU A 12 3.092 17.551 -1.114 1.00 52.13 C ATOM 129 CD GLU A 12 2.510 16.558 -2.101 1.00 43.43 C ATOM 130 OE1 GLU A 12 2.502 15.349 -1.791 1.00 15.52 O ATOM 131 OE2 GLU A 12 2.061 16.991 -3.183 1.00 41.31 O ATOM 0 H GLU A 12 4.260 18.068 1.122 1.00 75.15 H new ATOM 0 HA GLU A 12 2.484 20.127 0.136 1.00 54.43 H new ATOM 0 HB2 GLU A 12 1.822 17.207 0.571 1.00 21.12 H new ATOM 0 HB3 GLU A 12 1.155 18.308 -0.618 1.00 21.12 H new ATOM 0 HG2 GLU A 12 3.488 18.408 -1.658 1.00 52.13 H new ATOM 0 HG3 GLU A 12 3.930 17.090 -0.592 1.00 52.13 H new ATOM 138 N LEU A 13 1.925 18.595 2.995 1.00 3.10 N ATOM 139 CA LEU A 13 1.145 18.654 4.228 1.00 74.22 C ATOM 140 C LEU A 13 1.067 20.084 4.753 1.00 23.11 C ATOM 141 O LEU A 13 -0.001 20.554 5.146 1.00 3.14 O ATOM 142 CB LEU A 13 1.763 17.742 5.289 1.00 72.22 C ATOM 143 CG LEU A 13 0.892 17.449 6.511 1.00 40.12 C ATOM 144 CD1 LEU A 13 1.473 16.296 7.316 1.00 63.11 C ATOM 145 CD2 LEU A 13 0.755 18.692 7.378 1.00 1.41 C ATOM 0 H LEU A 13 2.675 17.903 3.003 1.00 3.10 H new ATOM 0 HA LEU A 13 0.134 18.311 4.008 1.00 74.22 H new ATOM 0 HB2 LEU A 13 2.024 16.794 4.818 1.00 72.22 H new ATOM 0 HB3 LEU A 13 2.694 18.195 5.631 1.00 72.22 H new ATOM 0 HG LEU A 13 -0.101 17.160 6.166 1.00 40.12 H new ATOM 0 HD11 LEU A 13 0.840 16.101 8.182 1.00 63.11 H new ATOM 0 HD12 LEU A 13 1.519 15.403 6.692 1.00 63.11 H new ATOM 0 HD13 LEU A 13 2.477 16.556 7.652 1.00 63.11 H new ATOM 0 HD21 LEU A 13 0.132 18.465 8.243 1.00 1.41 H new ATOM 0 HD22 LEU A 13 1.741 19.011 7.715 1.00 1.41 H new ATOM 0 HD23 LEU A 13 0.293 19.491 6.798 1.00 1.41 H new ATOM 157 N ASP A 14 2.204 20.771 4.756 1.00 4.01 N ATOM 158 CA ASP A 14 2.264 22.150 5.231 1.00 44.44 C ATOM 159 C ASP A 14 1.311 23.039 4.437 1.00 11.23 C ATOM 160 O ASP A 14 0.473 23.736 5.010 1.00 60.13 O ATOM 161 CB ASP A 14 3.692 22.687 5.124 1.00 44.10 C ATOM 162 CG ASP A 14 3.745 24.200 5.176 1.00 74.24 C ATOM 163 OD1 ASP A 14 3.679 24.759 6.291 1.00 31.52 O ATOM 164 OD2 ASP A 14 3.856 24.827 4.101 1.00 23.13 O ATOM 0 H ASP A 14 3.097 20.396 4.435 1.00 4.01 H new ATOM 0 HA ASP A 14 1.958 22.163 6.277 1.00 44.44 H new ATOM 0 HB2 ASP A 14 4.293 22.277 5.935 1.00 44.10 H new ATOM 0 HB3 ASP A 14 4.138 22.342 4.191 1.00 44.10 H new ATOM 169 N LYS A 15 1.447 23.010 3.116 1.00 64.21 N ATOM 170 CA LYS A 15 0.599 23.813 2.242 1.00 60.42 C ATOM 171 C LYS A 15 -0.863 23.396 2.369 1.00 70.04 C ATOM 172 O LYS A 15 -1.766 24.147 1.999 1.00 53.44 O ATOM 173 CB LYS A 15 1.055 23.677 0.788 1.00 53.52 C ATOM 174 CG LYS A 15 2.129 24.676 0.391 1.00 45.14 C ATOM 175 CD LYS A 15 3.523 24.113 0.613 1.00 31.31 C ATOM 176 CE LYS A 15 4.596 25.141 0.288 1.00 74.41 C ATOM 177 NZ LYS A 15 5.910 24.500 0.004 1.00 14.21 N ATOM 0 H LYS A 15 2.136 22.439 2.627 1.00 64.21 H new ATOM 0 HA LYS A 15 0.689 24.855 2.548 1.00 60.42 H new ATOM 0 HB2 LYS A 15 1.433 22.667 0.627 1.00 53.52 H new ATOM 0 HB3 LYS A 15 0.193 23.803 0.132 1.00 53.52 H new ATOM 0 HG2 LYS A 15 2.007 24.945 -0.658 1.00 45.14 H new ATOM 0 HG3 LYS A 15 2.008 25.591 0.971 1.00 45.14 H new ATOM 0 HD2 LYS A 15 3.627 23.792 1.650 1.00 31.31 H new ATOM 0 HD3 LYS A 15 3.663 23.229 -0.010 1.00 31.31 H new ATOM 0 HE2 LYS A 15 4.285 25.730 -0.575 1.00 74.41 H new ATOM 0 HE3 LYS A 15 4.702 25.832 1.124 1.00 74.41 H new ATOM 0 HZ1 LYS A 15 6.614 25.234 -0.213 1.00 14.21 H new ATOM 0 HZ2 LYS A 15 6.219 23.958 0.836 1.00 14.21 H new ATOM 0 HZ3 LYS A 15 5.815 23.860 -0.810 1.00 14.21 H new ATOM 191 N TRP A 16 -1.088 22.197 2.893 1.00 31.04 N ATOM 192 CA TRP A 16 -2.440 21.682 3.071 1.00 50.25 C ATOM 193 C TRP A 16 -3.080 22.252 4.332 1.00 60.03 C ATOM 194 O TRP A 16 -4.213 22.732 4.300 1.00 53.12 O ATOM 195 CB TRP A 16 -2.421 20.154 3.139 1.00 44.13 C ATOM 196 CG TRP A 16 -3.720 19.564 3.597 1.00 11.23 C ATOM 197 CD1 TRP A 16 -4.034 19.157 4.863 1.00 41.31 C ATOM 198 CD2 TRP A 16 -4.878 19.312 2.794 1.00 30.43 C ATOM 199 NE1 TRP A 16 -5.317 18.667 4.894 1.00 21.34 N ATOM 200 CE2 TRP A 16 -5.857 18.752 3.639 1.00 60.34 C ATOM 201 CE3 TRP A 16 -5.184 19.507 1.445 1.00 61.13 C ATOM 202 CZ2 TRP A 16 -7.118 18.386 3.175 1.00 61.21 C ATOM 203 CZ3 TRP A 16 -6.436 19.143 0.987 1.00 50.02 C ATOM 204 CH2 TRP A 16 -7.390 18.588 1.850 1.00 63.05 C ATOM 0 H TRP A 16 -0.351 21.563 3.202 1.00 31.04 H new ATOM 0 HA TRP A 16 -3.036 21.993 2.213 1.00 50.25 H new ATOM 0 HB2 TRP A 16 -2.177 19.757 2.154 1.00 44.13 H new ATOM 0 HB3 TRP A 16 -1.628 19.837 3.816 1.00 44.13 H new ATOM 0 HD1 TRP A 16 -3.371 19.212 5.714 1.00 41.31 H new ATOM 0 HE1 TRP A 16 -5.791 18.299 5.719 1.00 21.34 H new ATOM 0 HE3 TRP A 16 -4.455 19.934 0.772 1.00 61.13 H new ATOM 0 HZ2 TRP A 16 -7.855 17.958 3.838 1.00 61.21 H new ATOM 0 HZ3 TRP A 16 -6.683 19.289 -0.054 1.00 50.02 H new ATOM 0 HH2 TRP A 16 -8.360 18.314 1.461 1.00 63.05 H new ATOM 215 N GLU A 17 -2.348 22.194 5.439 1.00 35.33 N ATOM 216 CA GLU A 17 -2.846 22.705 6.711 1.00 52.03 C ATOM 217 C GLU A 17 -3.099 24.208 6.632 1.00 51.20 C ATOM 218 O GLU A 17 -3.838 24.769 7.442 1.00 13.34 O ATOM 219 CB GLU A 17 -1.850 22.403 7.832 1.00 3.42 C ATOM 220 CG GLU A 17 -2.115 21.085 8.543 1.00 53.34 C ATOM 221 CD GLU A 17 -1.834 21.157 10.031 1.00 72.13 C ATOM 222 OE1 GLU A 17 -0.794 21.736 10.410 1.00 60.22 O ATOM 223 OE2 GLU A 17 -2.651 20.635 10.815 1.00 4.14 O ATOM 0 H GLU A 17 -1.409 21.799 5.481 1.00 35.33 H new ATOM 0 HA GLU A 17 -3.790 22.206 6.929 1.00 52.03 H new ATOM 0 HB2 GLU A 17 -0.842 22.386 7.417 1.00 3.42 H new ATOM 0 HB3 GLU A 17 -1.880 23.212 8.562 1.00 3.42 H new ATOM 0 HG2 GLU A 17 -3.154 20.795 8.387 1.00 53.34 H new ATOM 0 HG3 GLU A 17 -1.496 20.306 8.098 1.00 53.34 H new ATOM 230 N LYS A 18 -2.479 24.856 5.651 1.00 1.41 N ATOM 231 CA LYS A 18 -2.637 26.294 5.465 1.00 54.55 C ATOM 232 C LYS A 18 -4.039 26.627 4.968 1.00 64.41 C ATOM 233 O LYS A 18 -4.800 27.317 5.647 1.00 23.22 O ATOM 234 CB LYS A 18 -1.596 26.816 4.472 1.00 74.00 C ATOM 235 CG LYS A 18 -0.654 27.849 5.065 1.00 14.04 C ATOM 236 CD LYS A 18 0.388 28.300 4.055 1.00 12.33 C ATOM 237 CE LYS A 18 0.846 29.726 4.325 1.00 45.22 C ATOM 238 NZ LYS A 18 1.347 29.894 5.717 1.00 63.05 N ATOM 0 H LYS A 18 -1.863 24.408 4.973 1.00 1.41 H new ATOM 0 HA LYS A 18 -2.488 26.779 6.430 1.00 54.55 H new ATOM 0 HB2 LYS A 18 -1.011 25.976 4.097 1.00 74.00 H new ATOM 0 HB3 LYS A 18 -2.110 27.254 3.616 1.00 74.00 H new ATOM 0 HG2 LYS A 18 -1.227 28.711 5.407 1.00 14.04 H new ATOM 0 HG3 LYS A 18 -0.157 27.429 5.939 1.00 14.04 H new ATOM 0 HD2 LYS A 18 1.246 27.628 4.091 1.00 12.33 H new ATOM 0 HD3 LYS A 18 -0.026 28.234 3.049 1.00 12.33 H new ATOM 0 HE2 LYS A 18 1.634 29.994 3.621 1.00 45.22 H new ATOM 0 HE3 LYS A 18 0.017 30.412 4.152 1.00 45.22 H new ATOM 0 HZ1 LYS A 18 1.803 30.824 5.812 1.00 63.05 H new ATOM 0 HZ2 LYS A 18 0.551 29.830 6.383 1.00 63.05 H new ATOM 0 HZ3 LYS A 18 2.037 29.146 5.930 1.00 63.05 H new ATOM 252 N ILE A 19 -4.376 26.132 3.781 1.00 32.23 N ATOM 253 CA ILE A 19 -5.689 26.377 3.198 1.00 42.22 C ATOM 254 C ILE A 19 -6.798 26.133 4.215 1.00 33.11 C ATOM 255 O ILE A 19 -6.698 25.239 5.055 1.00 32.15 O ATOM 256 CB ILE A 19 -5.932 25.484 1.967 1.00 44.30 C ATOM 257 CG1 ILE A 19 -4.841 25.713 0.919 1.00 33.34 C ATOM 258 CG2 ILE A 19 -7.307 25.760 1.376 1.00 10.13 C ATOM 259 CD1 ILE A 19 -4.620 24.528 0.007 1.00 13.40 C ATOM 0 H ILE A 19 -3.758 25.560 3.205 1.00 32.23 H new ATOM 0 HA ILE A 19 -5.707 27.422 2.890 1.00 42.22 H new ATOM 0 HB ILE A 19 -5.895 24.441 2.281 1.00 44.30 H new ATOM 0 HG12 ILE A 19 -5.105 26.581 0.315 1.00 33.34 H new ATOM 0 HG13 ILE A 19 -3.906 25.950 1.426 1.00 33.34 H new ATOM 0 HG21 ILE A 19 -7.464 25.121 0.507 1.00 10.13 H new ATOM 0 HG22 ILE A 19 -8.073 25.551 2.123 1.00 10.13 H new ATOM 0 HG23 ILE A 19 -7.370 26.806 1.074 1.00 10.13 H new ATOM 0 HD11 ILE A 19 -3.833 24.762 -0.710 1.00 13.40 H new ATOM 0 HD12 ILE A 19 -4.325 23.662 0.600 1.00 13.40 H new ATOM 0 HD13 ILE A 19 -5.543 24.303 -0.528 1.00 13.40 H new ATOM 271 N ARG A 20 -7.855 26.935 4.134 1.00 63.03 N ATOM 272 CA ARG A 20 -8.984 26.806 5.047 1.00 33.11 C ATOM 273 C ARG A 20 -10.243 26.377 4.300 1.00 60.14 C ATOM 274 O ARG A 20 -10.338 26.535 3.081 1.00 23.44 O ATOM 275 CB ARG A 20 -9.234 28.129 5.773 1.00 63.22 C ATOM 276 CG ARG A 20 -8.029 28.636 6.548 1.00 61.20 C ATOM 277 CD ARG A 20 -7.759 30.105 6.260 1.00 14.10 C ATOM 278 NE ARG A 20 -8.279 30.974 7.312 1.00 64.21 N ATOM 279 CZ ARG A 20 -7.948 32.253 7.439 1.00 61.40 C ATOM 280 NH1 ARG A 20 -7.101 32.810 6.584 1.00 20.12 N ATOM 281 NH2 ARG A 20 -8.465 32.980 8.422 1.00 13.34 N ATOM 0 H ARG A 20 -7.953 27.681 3.445 1.00 63.03 H new ATOM 0 HA ARG A 20 -8.739 26.038 5.780 1.00 33.11 H new ATOM 0 HB2 ARG A 20 -9.530 28.883 5.044 1.00 63.22 H new ATOM 0 HB3 ARG A 20 -10.071 28.004 6.460 1.00 63.22 H new ATOM 0 HG2 ARG A 20 -8.198 28.499 7.616 1.00 61.20 H new ATOM 0 HG3 ARG A 20 -7.151 28.045 6.285 1.00 61.20 H new ATOM 0 HD2 ARG A 20 -6.685 30.263 6.157 1.00 14.10 H new ATOM 0 HD3 ARG A 20 -8.214 30.377 5.307 1.00 14.10 H new ATOM 0 HE ARG A 20 -8.933 30.576 7.986 1.00 64.21 H new ATOM 0 HH11 ARG A 20 -6.702 32.255 5.827 1.00 20.12 H new ATOM 0 HH12 ARG A 20 -6.848 33.793 6.684 1.00 20.12 H new ATOM 0 HH21 ARG A 20 -9.118 32.556 9.081 1.00 13.34 H new ATOM 0 HH22 ARG A 20 -8.210 33.963 8.518 1.00 13.34 H new ATOM 295 N LEU A 21 -11.206 25.835 5.036 1.00 40.13 N ATOM 296 CA LEU A 21 -12.460 25.383 4.442 1.00 73.21 C ATOM 297 C LEU A 21 -13.236 26.555 3.851 1.00 43.44 C ATOM 298 O LEU A 21 -13.846 26.435 2.789 1.00 43.34 O ATOM 299 CB LEU A 21 -13.314 24.668 5.490 1.00 4.02 C ATOM 300 CG LEU A 21 -12.702 23.413 6.112 1.00 11.42 C ATOM 301 CD1 LEU A 21 -13.561 22.914 7.265 1.00 64.44 C ATOM 302 CD2 LEU A 21 -12.533 22.324 5.062 1.00 22.24 C ATOM 0 H LEU A 21 -11.143 25.698 6.045 1.00 40.13 H new ATOM 0 HA LEU A 21 -12.223 24.686 3.638 1.00 73.21 H new ATOM 0 HB2 LEU A 21 -13.538 25.374 6.290 1.00 4.02 H new ATOM 0 HB3 LEU A 21 -14.264 24.395 5.031 1.00 4.02 H new ATOM 0 HG LEU A 21 -11.717 23.669 6.503 1.00 11.42 H new ATOM 0 HD11 LEU A 21 -13.109 22.020 7.695 1.00 64.44 H new ATOM 0 HD12 LEU A 21 -13.631 23.689 8.029 1.00 64.44 H new ATOM 0 HD13 LEU A 21 -14.559 22.675 6.898 1.00 64.44 H new ATOM 0 HD21 LEU A 21 -12.096 21.438 5.523 1.00 22.24 H new ATOM 0 HD22 LEU A 21 -13.506 22.071 4.640 1.00 22.24 H new ATOM 0 HD23 LEU A 21 -11.876 22.682 4.269 1.00 22.24 H new ATOM 314 N ARG A 22 -13.206 27.689 4.543 1.00 4.43 N ATOM 315 CA ARG A 22 -13.906 28.882 4.086 1.00 32.43 C ATOM 316 C ARG A 22 -12.934 30.045 3.904 1.00 61.12 C ATOM 317 O ARG A 22 -11.838 30.064 4.463 1.00 43.14 O ATOM 318 CB ARG A 22 -15.000 29.270 5.082 1.00 24.31 C ATOM 319 CG ARG A 22 -16.406 28.973 4.587 1.00 4.24 C ATOM 320 CD ARG A 22 -17.436 29.865 5.263 1.00 50.21 C ATOM 321 NE ARG A 22 -17.373 29.769 6.719 1.00 54.44 N ATOM 322 CZ ARG A 22 -17.909 30.666 7.538 1.00 1.11 C ATOM 323 NH1 ARG A 22 -18.545 31.720 7.048 1.00 73.52 N ATOM 324 NH2 ARG A 22 -17.810 30.508 8.852 1.00 33.11 N ATOM 0 H ARG A 22 -12.704 27.806 5.423 1.00 4.43 H new ATOM 0 HA ARG A 22 -14.364 28.658 3.123 1.00 32.43 H new ATOM 0 HB2 ARG A 22 -14.833 28.737 6.018 1.00 24.31 H new ATOM 0 HB3 ARG A 22 -14.918 30.334 5.302 1.00 24.31 H new ATOM 0 HG2 ARG A 22 -16.451 29.118 3.508 1.00 4.24 H new ATOM 0 HG3 ARG A 22 -16.647 27.927 4.779 1.00 4.24 H new ATOM 0 HD2 ARG A 22 -17.273 30.900 4.961 1.00 50.21 H new ATOM 0 HD3 ARG A 22 -18.434 29.587 4.924 1.00 50.21 H new ATOM 0 HE ARG A 22 -16.891 28.969 7.129 1.00 54.44 H new ATOM 0 HH11 ARG A 22 -18.624 31.844 6.039 1.00 73.52 H new ATOM 0 HH12 ARG A 22 -18.956 32.407 7.680 1.00 73.52 H new ATOM 0 HH21 ARG A 22 -17.322 29.697 9.233 1.00 33.11 H new ATOM 0 HH22 ARG A 22 -18.222 31.197 9.481 1.00 33.11 H new ATOM 338 N PRO A 23 -13.345 31.039 3.102 1.00 45.44 N ATOM 339 CA PRO A 23 -12.527 32.224 2.826 1.00 51.51 C ATOM 340 C PRO A 23 -12.392 33.131 4.045 1.00 55.44 C ATOM 341 O PRO A 23 -11.306 33.628 4.343 1.00 43.15 O ATOM 342 CB PRO A 23 -13.297 32.935 1.711 1.00 34.44 C ATOM 343 CG PRO A 23 -14.709 32.493 1.884 1.00 50.23 C ATOM 344 CD PRO A 23 -14.640 31.083 2.401 1.00 10.34 C ATOM 0 HA PRO A 23 -11.505 31.960 2.554 1.00 51.51 H new ATOM 0 HB2 PRO A 23 -13.208 34.018 1.797 1.00 34.44 H new ATOM 0 HB3 PRO A 23 -12.914 32.661 0.728 1.00 34.44 H new ATOM 0 HG2 PRO A 23 -15.238 33.140 2.584 1.00 50.23 H new ATOM 0 HG3 PRO A 23 -15.250 32.536 0.939 1.00 50.23 H new ATOM 0 HD2 PRO A 23 -15.469 30.861 3.073 1.00 10.34 H new ATOM 0 HD3 PRO A 23 -14.683 30.355 1.591 1.00 10.34 H new ATOM 352 N GLY A 24 -13.502 33.342 4.745 1.00 71.11 N ATOM 353 CA GLY A 24 -13.485 34.190 5.923 1.00 2.33 C ATOM 354 C GLY A 24 -13.680 33.404 7.204 1.00 15.32 C ATOM 355 O GLY A 24 -14.293 33.893 8.153 1.00 43.20 O ATOM 0 H GLY A 24 -14.412 32.941 4.518 1.00 71.11 H new ATOM 0 HA2 GLY A 24 -12.536 34.724 5.969 1.00 2.33 H new ATOM 0 HA3 GLY A 24 -14.270 34.941 5.838 1.00 2.33 H new ATOM 359 N GLY A 25 -13.158 32.181 7.233 1.00 20.31 N ATOM 360 CA GLY A 25 -13.290 31.346 8.412 1.00 31.35 C ATOM 361 C GLY A 25 -11.986 31.210 9.176 1.00 65.41 C ATOM 362 O GLY A 25 -10.975 31.805 8.802 1.00 14.52 O ATOM 0 H GLY A 25 -12.646 31.754 6.461 1.00 20.31 H new ATOM 0 HA2 GLY A 25 -14.050 31.768 9.069 1.00 31.35 H new ATOM 0 HA3 GLY A 25 -13.639 30.357 8.116 1.00 31.35 H new ATOM 366 N LYS A 26 -12.011 30.428 10.249 1.00 1.01 N ATOM 367 CA LYS A 26 -10.824 30.215 11.068 1.00 12.13 C ATOM 368 C LYS A 26 -10.446 28.738 11.106 1.00 35.15 C ATOM 369 O LYS A 26 -9.438 28.359 11.704 1.00 55.15 O ATOM 370 CB LYS A 26 -11.061 30.728 12.490 1.00 23.20 C ATOM 371 CG LYS A 26 -11.352 32.218 12.559 1.00 72.20 C ATOM 372 CD LYS A 26 -11.218 32.747 13.976 1.00 35.40 C ATOM 373 CE LYS A 26 -12.319 33.743 14.306 1.00 23.10 C ATOM 374 NZ LYS A 26 -12.107 34.385 15.633 1.00 64.30 N ATOM 0 H LYS A 26 -12.841 29.931 10.572 1.00 1.01 H new ATOM 0 HA LYS A 26 -10.001 30.771 10.620 1.00 12.13 H new ATOM 0 HB2 LYS A 26 -11.896 30.183 12.930 1.00 23.20 H new ATOM 0 HB3 LYS A 26 -10.183 30.509 13.097 1.00 23.20 H new ATOM 0 HG2 LYS A 26 -10.666 32.754 11.903 1.00 72.20 H new ATOM 0 HG3 LYS A 26 -12.360 32.410 12.192 1.00 72.20 H new ATOM 0 HD2 LYS A 26 -11.255 31.916 14.681 1.00 35.40 H new ATOM 0 HD3 LYS A 26 -10.246 33.225 14.097 1.00 35.40 H new ATOM 0 HE2 LYS A 26 -12.358 34.511 13.533 1.00 23.10 H new ATOM 0 HE3 LYS A 26 -13.283 33.234 14.299 1.00 23.10 H new ATOM 0 HZ1 LYS A 26 -12.878 35.057 15.821 1.00 64.30 H new ATOM 0 HZ2 LYS A 26 -12.095 33.655 16.374 1.00 64.30 H new ATOM 0 HZ3 LYS A 26 -11.199 34.892 15.632 1.00 64.30 H new ATOM 388 N LYS A 27 -11.260 27.907 10.463 1.00 35.44 N ATOM 389 CA LYS A 27 -11.010 26.472 10.421 1.00 52.40 C ATOM 390 C LYS A 27 -10.124 26.108 9.234 1.00 55.22 C ATOM 391 O LYS A 27 -10.552 26.181 8.083 1.00 11.42 O ATOM 392 CB LYS A 27 -12.332 25.705 10.337 1.00 61.33 C ATOM 393 CG LYS A 27 -12.308 24.370 11.060 1.00 45.44 C ATOM 394 CD LYS A 27 -13.301 23.391 10.456 1.00 63.13 C ATOM 395 CE LYS A 27 -14.139 22.713 11.529 1.00 53.40 C ATOM 396 NZ LYS A 27 -14.242 21.243 11.307 1.00 72.50 N ATOM 0 H LYS A 27 -12.099 28.204 9.964 1.00 35.44 H new ATOM 0 HA LYS A 27 -10.492 26.193 11.338 1.00 52.40 H new ATOM 0 HB2 LYS A 27 -13.127 26.321 10.756 1.00 61.33 H new ATOM 0 HB3 LYS A 27 -12.579 25.536 9.289 1.00 61.33 H new ATOM 0 HG2 LYS A 27 -11.304 23.947 11.013 1.00 45.44 H new ATOM 0 HG3 LYS A 27 -12.540 24.522 12.114 1.00 45.44 H new ATOM 0 HD2 LYS A 27 -13.955 23.917 9.761 1.00 63.13 H new ATOM 0 HD3 LYS A 27 -12.765 22.636 9.881 1.00 63.13 H new ATOM 0 HE2 LYS A 27 -13.698 22.902 12.508 1.00 53.40 H new ATOM 0 HE3 LYS A 27 -15.138 23.149 11.539 1.00 53.40 H new ATOM 0 HZ1 LYS A 27 -14.821 20.818 12.059 1.00 72.50 H new ATOM 0 HZ2 LYS A 27 -14.686 21.062 10.384 1.00 72.50 H new ATOM 0 HZ3 LYS A 27 -13.291 20.822 11.322 1.00 72.50 H new ATOM 410 N GLN A 28 -8.886 25.717 9.523 1.00 1.31 N ATOM 411 CA GLN A 28 -7.941 25.341 8.478 1.00 35.13 C ATOM 412 C GLN A 28 -8.096 23.870 8.107 1.00 52.31 C ATOM 413 O GLN A 28 -8.806 23.122 8.778 1.00 12.53 O ATOM 414 CB GLN A 28 -6.508 25.616 8.937 1.00 34.21 C ATOM 415 CG GLN A 28 -6.337 26.958 9.629 1.00 52.12 C ATOM 416 CD GLN A 28 -4.894 27.248 9.994 1.00 11.53 C ATOM 417 OE1 GLN A 28 -4.030 26.375 9.897 1.00 43.30 O ATOM 418 NE2 GLN A 28 -4.624 28.477 10.417 1.00 65.14 N ATOM 0 H GLN A 28 -8.515 25.653 10.471 1.00 1.31 H new ATOM 0 HA GLN A 28 -8.155 25.943 7.595 1.00 35.13 H new ATOM 0 HB2 GLN A 28 -6.195 24.824 9.617 1.00 34.21 H new ATOM 0 HB3 GLN A 28 -5.845 25.575 8.073 1.00 34.21 H new ATOM 0 HG2 GLN A 28 -6.709 27.748 8.977 1.00 52.12 H new ATOM 0 HG3 GLN A 28 -6.947 26.977 10.532 1.00 52.12 H new ATOM 0 HE21 GLN A 28 -5.370 29.169 10.482 1.00 65.14 H new ATOM 0 HE22 GLN A 28 -3.670 28.729 10.677 1.00 65.14 H new ATOM 427 N TYR A 29 -7.427 23.463 7.034 1.00 52.04 N ATOM 428 CA TYR A 29 -7.493 22.082 6.571 1.00 54.12 C ATOM 429 C TYR A 29 -6.630 21.174 7.443 1.00 54.24 C ATOM 430 O TYR A 29 -5.556 21.567 7.899 1.00 73.43 O ATOM 431 CB TYR A 29 -7.039 21.988 5.113 1.00 20.32 C ATOM 432 CG TYR A 29 -8.183 21.930 4.126 1.00 4.14 C ATOM 433 CD1 TYR A 29 -8.994 20.805 4.039 1.00 43.14 C ATOM 434 CD2 TYR A 29 -8.452 22.999 3.280 1.00 24.13 C ATOM 435 CE1 TYR A 29 -10.040 20.747 3.139 1.00 43.04 C ATOM 436 CE2 TYR A 29 -9.497 22.950 2.377 1.00 2.45 C ATOM 437 CZ TYR A 29 -10.289 21.821 2.310 1.00 35.41 C ATOM 438 OH TYR A 29 -11.328 21.769 1.412 1.00 43.41 O ATOM 0 H TYR A 29 -6.833 24.070 6.469 1.00 52.04 H new ATOM 0 HA TYR A 29 -8.529 21.750 6.644 1.00 54.12 H new ATOM 0 HB2 TYR A 29 -6.412 22.849 4.880 1.00 20.32 H new ATOM 0 HB3 TYR A 29 -6.419 21.100 4.991 1.00 20.32 H new ATOM 0 HD1 TYR A 29 -8.803 19.962 4.686 1.00 43.14 H new ATOM 0 HD2 TYR A 29 -7.834 23.883 3.329 1.00 24.13 H new ATOM 0 HE1 TYR A 29 -10.660 19.865 3.085 1.00 43.04 H new ATOM 0 HE2 TYR A 29 -9.693 23.790 1.727 1.00 2.45 H new ATOM 0 HH TYR A 29 -11.656 22.676 1.238 1.00 43.41 H new ATOM 448 N LYS A 30 -7.108 19.955 7.670 1.00 41.00 N ATOM 449 CA LYS A 30 -6.382 18.988 8.484 1.00 65.00 C ATOM 450 C LYS A 30 -6.498 17.586 7.896 1.00 0.51 C ATOM 451 O LYS A 30 -7.277 17.351 6.971 1.00 71.13 O ATOM 452 CB LYS A 30 -6.915 18.996 9.919 1.00 5.11 C ATOM 453 CG LYS A 30 -5.979 19.662 10.912 1.00 42.00 C ATOM 454 CD LYS A 30 -6.741 20.254 12.086 1.00 51.14 C ATOM 455 CE LYS A 30 -5.911 20.228 13.360 1.00 52.23 C ATOM 456 NZ LYS A 30 -6.694 20.677 14.543 1.00 65.11 N ATOM 0 H LYS A 30 -7.996 19.614 7.301 1.00 41.00 H new ATOM 0 HA LYS A 30 -5.330 19.274 8.492 1.00 65.00 H new ATOM 0 HB2 LYS A 30 -7.876 19.510 9.938 1.00 5.11 H new ATOM 0 HB3 LYS A 30 -7.096 17.969 10.236 1.00 5.11 H new ATOM 0 HG2 LYS A 30 -5.256 18.933 11.277 1.00 42.00 H new ATOM 0 HG3 LYS A 30 -5.414 20.448 10.410 1.00 42.00 H new ATOM 0 HD2 LYS A 30 -7.024 21.281 11.856 1.00 51.14 H new ATOM 0 HD3 LYS A 30 -7.664 19.696 12.241 1.00 51.14 H new ATOM 0 HE2 LYS A 30 -5.542 19.217 13.532 1.00 52.23 H new ATOM 0 HE3 LYS A 30 -5.038 20.870 13.238 1.00 52.23 H new ATOM 0 HZ1 LYS A 30 -6.092 20.645 15.390 1.00 65.11 H new ATOM 0 HZ2 LYS A 30 -7.025 21.651 14.391 1.00 65.11 H new ATOM 0 HZ3 LYS A 30 -7.513 20.050 14.676 1.00 65.11 H new ATOM 470 N LEU A 31 -5.719 16.655 8.438 1.00 71.32 N ATOM 471 CA LEU A 31 -5.735 15.275 7.967 1.00 5.24 C ATOM 472 C LEU A 31 -7.159 14.727 7.932 1.00 21.41 C ATOM 473 O LEU A 31 -7.529 13.988 7.020 1.00 23.12 O ATOM 474 CB LEU A 31 -4.863 14.398 8.866 1.00 35.32 C ATOM 475 CG LEU A 31 -3.937 13.414 8.151 1.00 44.41 C ATOM 476 CD1 LEU A 31 -2.601 14.068 7.835 1.00 21.30 C ATOM 477 CD2 LEU A 31 -3.735 12.163 8.994 1.00 12.51 C ATOM 0 H LEU A 31 -5.069 16.832 9.204 1.00 71.32 H new ATOM 0 HA LEU A 31 -5.334 15.259 6.954 1.00 5.24 H new ATOM 0 HB2 LEU A 31 -4.254 15.049 9.493 1.00 35.32 H new ATOM 0 HB3 LEU A 31 -5.516 13.833 9.532 1.00 35.32 H new ATOM 0 HG LEU A 31 -4.406 13.123 7.211 1.00 44.41 H new ATOM 0 HD11 LEU A 31 -1.956 13.351 7.326 1.00 21.30 H new ATOM 0 HD12 LEU A 31 -2.762 14.932 7.191 1.00 21.30 H new ATOM 0 HD13 LEU A 31 -2.125 14.390 8.761 1.00 21.30 H new ATOM 0 HD21 LEU A 31 -3.073 11.474 8.469 1.00 12.51 H new ATOM 0 HD22 LEU A 31 -3.290 12.437 9.950 1.00 12.51 H new ATOM 0 HD23 LEU A 31 -4.697 11.681 9.167 1.00 12.51 H new ATOM 489 N LYS A 32 -7.954 15.098 8.930 1.00 12.32 N ATOM 490 CA LYS A 32 -9.338 14.649 9.012 1.00 2.54 C ATOM 491 C LYS A 32 -10.041 14.797 7.667 1.00 33.51 C ATOM 492 O LYS A 32 -10.621 13.843 7.149 1.00 0.24 O ATOM 493 CB LYS A 32 -10.091 15.443 10.083 1.00 13.12 C ATOM 494 CG LYS A 32 -9.833 14.953 11.497 1.00 3.03 C ATOM 495 CD LYS A 32 -11.128 14.592 12.207 1.00 45.22 C ATOM 496 CE LYS A 32 -10.911 13.496 13.239 1.00 40.03 C ATOM 497 NZ LYS A 32 -11.325 13.929 14.603 1.00 51.13 N ATOM 0 H LYS A 32 -7.663 15.709 9.693 1.00 12.32 H new ATOM 0 HA LYS A 32 -9.334 13.594 9.285 1.00 2.54 H new ATOM 0 HB2 LYS A 32 -9.805 16.493 10.013 1.00 13.12 H new ATOM 0 HB3 LYS A 32 -11.160 15.390 9.878 1.00 13.12 H new ATOM 0 HG2 LYS A 32 -9.178 14.082 11.468 1.00 3.03 H new ATOM 0 HG3 LYS A 32 -9.311 15.726 12.061 1.00 3.03 H new ATOM 0 HD2 LYS A 32 -11.536 15.477 12.695 1.00 45.22 H new ATOM 0 HD3 LYS A 32 -11.866 14.263 11.475 1.00 45.22 H new ATOM 0 HE2 LYS A 32 -11.477 12.610 12.952 1.00 40.03 H new ATOM 0 HE3 LYS A 32 -9.859 13.212 13.252 1.00 40.03 H new ATOM 0 HZ1 LYS A 32 -11.162 13.155 15.278 1.00 51.13 H new ATOM 0 HZ2 LYS A 32 -10.768 14.760 14.888 1.00 51.13 H new ATOM 0 HZ3 LYS A 32 -12.335 14.176 14.597 1.00 51.13 H new ATOM 511 N HIS A 33 -9.983 16.000 7.104 1.00 12.13 N ATOM 512 CA HIS A 33 -10.611 16.274 5.816 1.00 14.20 C ATOM 513 C HIS A 33 -10.071 15.337 4.740 1.00 51.14 C ATOM 514 O HIS A 33 -10.835 15.027 3.824 1.00 71.22 O ATOM 515 CB HIS A 33 -10.374 17.728 5.407 1.00 25.51 C ATOM 516 CG HIS A 33 -10.727 18.715 6.477 1.00 34.53 C ATOM 517 ND1 HIS A 33 -9.872 19.715 6.890 1.00 34.41 N ATOM 518 CD2 HIS A 33 -11.850 18.853 7.221 1.00 41.02 C ATOM 519 CE1 HIS A 33 -10.454 20.424 7.841 1.00 60.31 C ATOM 520 NE2 HIS A 33 -11.656 19.922 8.060 1.00 54.22 N ATOM 0 H HIS A 33 -9.507 16.801 7.520 1.00 12.13 H new ATOM 0 HA HIS A 33 -11.683 16.104 5.919 1.00 14.20 H new ATOM 0 HB2 HIS A 33 -9.325 17.855 5.138 1.00 25.51 H new ATOM 0 HB3 HIS A 33 -10.961 17.946 4.515 1.00 25.51 H new ATOM 0 HD2 HIS A 33 -12.735 18.236 7.165 1.00 41.02 H new ATOM 0 HE1 HIS A 33 -10.020 21.271 8.353 1.00 60.31 H new ATOM 0 HE2 HIS A 33 -12.330 20.272 8.741 1.00 54.22 H new ATOM 528 N ILE A 34 -8.821 14.894 4.821 1.00 41.45 N ATOM 529 CA ILE A 34 -8.262 13.997 3.815 1.00 1.23 C ATOM 530 C ILE A 34 -8.792 12.577 3.992 1.00 73.14 C ATOM 531 O ILE A 34 -9.545 12.077 3.157 1.00 23.12 O ATOM 532 CB ILE A 34 -6.724 13.971 3.877 1.00 14.43 C ATOM 533 CG1 ILE A 34 -6.169 15.396 3.922 1.00 71.02 C ATOM 534 CG2 ILE A 34 -6.158 13.213 2.686 1.00 42.34 C ATOM 535 CD1 ILE A 34 -4.671 15.455 4.120 1.00 71.21 C ATOM 0 H ILE A 34 -8.176 15.141 5.572 1.00 41.45 H new ATOM 0 HA ILE A 34 -8.571 14.380 2.842 1.00 1.23 H new ATOM 0 HB ILE A 34 -6.421 13.455 4.788 1.00 14.43 H new ATOM 0 HG12 ILE A 34 -6.425 15.906 2.994 1.00 71.02 H new ATOM 0 HG13 ILE A 34 -6.656 15.942 4.730 1.00 71.02 H new ATOM 0 HG21 ILE A 34 -5.070 13.204 2.745 1.00 42.34 H new ATOM 0 HG22 ILE A 34 -6.531 12.189 2.696 1.00 42.34 H new ATOM 0 HG23 ILE A 34 -6.467 13.703 1.763 1.00 42.34 H new ATOM 0 HD11 ILE A 34 -4.348 16.496 4.142 1.00 71.21 H new ATOM 0 HD12 ILE A 34 -4.409 14.974 5.062 1.00 71.21 H new ATOM 0 HD13 ILE A 34 -4.175 14.938 3.299 1.00 71.21 H new ATOM 547 N VAL A 35 -8.393 11.933 5.083 1.00 35.23 N ATOM 548 CA VAL A 35 -8.828 10.572 5.371 1.00 13.11 C ATOM 549 C VAL A 35 -10.341 10.440 5.240 1.00 21.53 C ATOM 550 O VAL A 35 -10.850 9.398 4.828 1.00 24.52 O ATOM 551 CB VAL A 35 -8.405 10.135 6.785 1.00 25.04 C ATOM 552 CG1 VAL A 35 -8.912 8.732 7.085 1.00 61.13 C ATOM 553 CG2 VAL A 35 -6.894 10.208 6.937 1.00 53.14 C ATOM 0 H VAL A 35 -7.768 12.332 5.783 1.00 35.23 H new ATOM 0 HA VAL A 35 -8.345 9.924 4.640 1.00 13.11 H new ATOM 0 HB VAL A 35 -8.852 10.819 7.506 1.00 25.04 H new ATOM 0 HG11 VAL A 35 -8.603 8.440 8.089 1.00 61.13 H new ATOM 0 HG12 VAL A 35 -10.000 8.717 7.021 1.00 61.13 H new ATOM 0 HG13 VAL A 35 -8.496 8.032 6.360 1.00 61.13 H new ATOM 0 HG21 VAL A 35 -6.614 9.895 7.943 1.00 53.14 H new ATOM 0 HG22 VAL A 35 -6.423 9.549 6.208 1.00 53.14 H new ATOM 0 HG23 VAL A 35 -6.561 11.232 6.769 1.00 53.14 H new ATOM 563 N TRP A 36 -11.054 11.505 5.594 1.00 50.41 N ATOM 564 CA TRP A 36 -12.510 11.507 5.516 1.00 65.53 C ATOM 565 C TRP A 36 -12.982 11.169 4.105 1.00 34.14 C ATOM 566 O TRP A 36 -13.715 10.202 3.902 1.00 71.45 O ATOM 567 CB TRP A 36 -13.061 12.872 5.937 1.00 51.41 C ATOM 568 CG TRP A 36 -14.533 13.018 5.698 1.00 3.42 C ATOM 569 CD1 TRP A 36 -15.541 12.657 6.546 1.00 13.44 C ATOM 570 CD2 TRP A 36 -15.163 13.560 4.533 1.00 62.43 C ATOM 571 NE1 TRP A 36 -16.759 12.944 5.979 1.00 1.11 N ATOM 572 CE2 TRP A 36 -16.554 13.500 4.744 1.00 41.55 C ATOM 573 CE3 TRP A 36 -14.686 14.095 3.332 1.00 62.42 C ATOM 574 CZ2 TRP A 36 -17.471 13.951 3.798 1.00 35.41 C ATOM 575 CZ3 TRP A 36 -15.598 14.543 2.394 1.00 31.13 C ATOM 576 CH2 TRP A 36 -16.977 14.469 2.632 1.00 20.30 C ATOM 0 H TRP A 36 -10.648 12.376 5.937 1.00 50.41 H new ATOM 0 HA TRP A 36 -12.886 10.743 6.197 1.00 65.53 H new ATOM 0 HB2 TRP A 36 -12.855 13.028 6.996 1.00 51.41 H new ATOM 0 HB3 TRP A 36 -12.532 13.653 5.391 1.00 51.41 H new ATOM 0 HD1 TRP A 36 -15.401 12.211 7.520 1.00 13.44 H new ATOM 0 HE1 TRP A 36 -17.668 12.771 6.408 1.00 1.11 H new ATOM 0 HE3 TRP A 36 -13.625 14.157 3.141 1.00 62.42 H new ATOM 0 HZ2 TRP A 36 -18.534 13.894 3.978 1.00 35.41 H new ATOM 0 HZ3 TRP A 36 -15.241 14.957 1.462 1.00 31.13 H new ATOM 0 HH2 TRP A 36 -17.664 14.828 1.880 1.00 20.30 H new ATOM 587 N ALA A 37 -12.555 11.972 3.136 1.00 52.43 N ATOM 588 CA ALA A 37 -12.931 11.754 1.744 1.00 70.31 C ATOM 589 C ALA A 37 -12.514 10.365 1.273 1.00 44.14 C ATOM 590 O ALA A 37 -13.202 9.743 0.463 1.00 52.11 O ATOM 591 CB ALA A 37 -12.309 12.823 0.857 1.00 3.22 C ATOM 0 H ALA A 37 -11.949 12.778 3.289 1.00 52.43 H new ATOM 0 HA ALA A 37 -14.016 11.822 1.671 1.00 70.31 H new ATOM 0 HB1 ALA A 37 -12.597 12.649 -0.180 1.00 3.22 H new ATOM 0 HB2 ALA A 37 -12.660 13.806 1.171 1.00 3.22 H new ATOM 0 HB3 ALA A 37 -11.223 12.781 0.943 1.00 3.22 H new ATOM 597 N SER A 38 -11.386 9.885 1.785 1.00 72.43 N ATOM 598 CA SER A 38 -10.876 8.571 1.412 1.00 62.32 C ATOM 599 C SER A 38 -11.891 7.481 1.742 1.00 42.03 C ATOM 600 O SER A 38 -11.928 6.435 1.093 1.00 21.25 O ATOM 601 CB SER A 38 -9.556 8.290 2.133 1.00 11.40 C ATOM 602 OG SER A 38 -8.448 8.675 1.338 1.00 65.20 O ATOM 0 H SER A 38 -10.808 10.386 2.459 1.00 72.43 H new ATOM 0 HA SER A 38 -10.702 8.568 0.336 1.00 62.32 H new ATOM 0 HB2 SER A 38 -9.533 8.830 3.080 1.00 11.40 H new ATOM 0 HB3 SER A 38 -9.486 7.228 2.370 1.00 11.40 H new ATOM 0 HG SER A 38 -7.617 8.487 1.822 1.00 65.20 H new ATOM 608 N ARG A 39 -12.714 7.734 2.753 1.00 20.43 N ATOM 609 CA ARG A 39 -13.729 6.776 3.171 1.00 3.12 C ATOM 610 C ARG A 39 -15.016 6.963 2.373 1.00 24.41 C ATOM 611 O ARG A 39 -15.858 6.068 2.314 1.00 72.01 O ATOM 612 CB ARG A 39 -14.018 6.925 4.666 1.00 2.54 C ATOM 613 CG ARG A 39 -13.145 6.045 5.546 1.00 1.21 C ATOM 614 CD ARG A 39 -13.463 6.240 7.020 1.00 73.20 C ATOM 615 NE ARG A 39 -12.365 5.807 7.879 1.00 14.51 N ATOM 616 CZ ARG A 39 -12.276 6.111 9.169 1.00 24.00 C ATOM 617 NH1 ARG A 39 -13.216 6.846 9.746 1.00 44.43 N ATOM 618 NH2 ARG A 39 -11.246 5.679 9.885 1.00 55.01 N ATOM 0 H ARG A 39 -12.698 8.596 3.299 1.00 20.43 H new ATOM 0 HA ARG A 39 -13.346 5.774 2.980 1.00 3.12 H new ATOM 0 HB2 ARG A 39 -13.875 7.967 4.953 1.00 2.54 H new ATOM 0 HB3 ARG A 39 -15.065 6.684 4.851 1.00 2.54 H new ATOM 0 HG2 ARG A 39 -13.292 4.999 5.276 1.00 1.21 H new ATOM 0 HG3 ARG A 39 -12.095 6.276 5.366 1.00 1.21 H new ATOM 0 HD2 ARG A 39 -13.677 7.292 7.208 1.00 73.20 H new ATOM 0 HD3 ARG A 39 -14.364 5.681 7.274 1.00 73.20 H new ATOM 0 HE ARG A 39 -11.625 5.240 7.466 1.00 14.51 H new ATOM 0 HH11 ARG A 39 -14.010 7.179 9.199 1.00 44.43 H new ATOM 0 HH12 ARG A 39 -13.145 7.078 10.737 1.00 44.43 H new ATOM 0 HH21 ARG A 39 -10.521 5.112 9.445 1.00 55.01 H new ATOM 0 HH22 ARG A 39 -11.179 5.913 10.875 1.00 55.01 H new ATOM 632 N GLU A 40 -15.161 8.135 1.760 1.00 0.44 N ATOM 633 CA GLU A 40 -16.346 8.441 0.967 1.00 53.40 C ATOM 634 C GLU A 40 -16.167 7.978 -0.476 1.00 63.54 C ATOM 635 O GLU A 40 -17.121 7.539 -1.122 1.00 12.43 O ATOM 636 CB GLU A 40 -16.637 9.942 1.002 1.00 61.23 C ATOM 637 CG GLU A 40 -18.060 10.277 1.416 1.00 63.24 C ATOM 638 CD GLU A 40 -18.166 10.669 2.876 1.00 21.41 C ATOM 639 OE1 GLU A 40 -17.356 10.172 3.685 1.00 44.42 O ATOM 640 OE2 GLU A 40 -19.060 11.476 3.209 1.00 34.24 O ATOM 0 H GLU A 40 -14.473 8.887 1.798 1.00 0.44 H new ATOM 0 HA GLU A 40 -17.191 7.906 1.400 1.00 53.40 H new ATOM 0 HB2 GLU A 40 -15.944 10.422 1.693 1.00 61.23 H new ATOM 0 HB3 GLU A 40 -16.446 10.364 0.015 1.00 61.23 H new ATOM 0 HG2 GLU A 40 -18.432 11.093 0.797 1.00 63.24 H new ATOM 0 HG3 GLU A 40 -18.701 9.416 1.227 1.00 63.24 H new ATOM 647 N LEU A 41 -14.941 8.082 -0.977 1.00 43.13 N ATOM 648 CA LEU A 41 -14.638 7.676 -2.345 1.00 15.24 C ATOM 649 C LEU A 41 -15.006 6.213 -2.573 1.00 32.13 C ATOM 650 O LEU A 41 -15.581 5.863 -3.603 1.00 0.32 O ATOM 651 CB LEU A 41 -13.152 7.891 -2.643 1.00 44.01 C ATOM 652 CG LEU A 41 -12.776 9.255 -3.222 1.00 40.11 C ATOM 653 CD1 LEU A 41 -11.270 9.356 -3.416 1.00 4.14 C ATOM 654 CD2 LEU A 41 -13.501 9.494 -4.538 1.00 22.01 C ATOM 0 H LEU A 41 -14.141 8.444 -0.457 1.00 43.13 H new ATOM 0 HA LEU A 41 -15.232 8.291 -3.021 1.00 15.24 H new ATOM 0 HB2 LEU A 41 -12.591 7.743 -1.720 1.00 44.01 H new ATOM 0 HB3 LEU A 41 -12.826 7.120 -3.341 1.00 44.01 H new ATOM 0 HG LEU A 41 -13.084 10.025 -2.515 1.00 40.11 H new ATOM 0 HD11 LEU A 41 -11.021 10.334 -3.829 1.00 4.14 H new ATOM 0 HD12 LEU A 41 -10.770 9.230 -2.456 1.00 4.14 H new ATOM 0 HD13 LEU A 41 -10.939 8.577 -4.103 1.00 4.14 H new ATOM 0 HD21 LEU A 41 -13.221 10.470 -4.936 1.00 22.01 H new ATOM 0 HD22 LEU A 41 -13.224 8.718 -5.252 1.00 22.01 H new ATOM 0 HD23 LEU A 41 -14.578 9.466 -4.371 1.00 22.01 H new ATOM 666 N GLU A 42 -14.672 5.365 -1.605 1.00 63.31 N ATOM 667 CA GLU A 42 -14.970 3.941 -1.701 1.00 11.02 C ATOM 668 C GLU A 42 -16.468 3.709 -1.878 1.00 23.24 C ATOM 669 O GLU A 42 -16.892 2.658 -2.358 1.00 32.14 O ATOM 670 CB GLU A 42 -14.474 3.208 -0.453 1.00 33.21 C ATOM 671 CG GLU A 42 -13.396 2.177 -0.741 1.00 61.41 C ATOM 672 CD GLU A 42 -12.414 2.023 0.404 1.00 13.14 C ATOM 673 OE1 GLU A 42 -12.077 3.044 1.039 1.00 72.02 O ATOM 674 OE2 GLU A 42 -11.983 0.881 0.666 1.00 51.15 O ATOM 0 H GLU A 42 -14.195 5.639 -0.746 1.00 63.31 H new ATOM 0 HA GLU A 42 -14.453 3.546 -2.575 1.00 11.02 H new ATOM 0 HB2 GLU A 42 -14.086 3.938 0.257 1.00 33.21 H new ATOM 0 HB3 GLU A 42 -15.318 2.714 0.028 1.00 33.21 H new ATOM 0 HG2 GLU A 42 -13.865 1.214 -0.944 1.00 61.41 H new ATOM 0 HG3 GLU A 42 -12.855 2.465 -1.642 1.00 61.41 H new ATOM 681 N ARG A 43 -17.265 4.699 -1.487 1.00 35.32 N ATOM 682 CA ARG A 43 -18.715 4.603 -1.600 1.00 30.55 C ATOM 683 C ARG A 43 -19.176 4.977 -3.006 1.00 12.23 C ATOM 684 O ARG A 43 -20.257 4.581 -3.442 1.00 34.21 O ATOM 685 CB ARG A 43 -19.389 5.512 -0.571 1.00 72.31 C ATOM 686 CG ARG A 43 -20.540 4.848 0.167 1.00 54.22 C ATOM 687 CD ARG A 43 -20.690 5.400 1.576 1.00 1.13 C ATOM 688 NE ARG A 43 -20.165 4.481 2.583 1.00 12.11 N ATOM 689 CZ ARG A 43 -20.793 3.376 2.969 1.00 31.41 C ATOM 690 NH1 ARG A 43 -21.963 3.054 2.436 1.00 32.11 N ATOM 691 NH2 ARG A 43 -20.250 2.590 3.891 1.00 63.52 N ATOM 0 H ARG A 43 -16.930 5.577 -1.089 1.00 35.32 H new ATOM 0 HA ARG A 43 -19.003 3.570 -1.405 1.00 30.55 H new ATOM 0 HB2 ARG A 43 -18.644 5.840 0.154 1.00 72.31 H new ATOM 0 HB3 ARG A 43 -19.759 6.405 -1.075 1.00 72.31 H new ATOM 0 HG2 ARG A 43 -21.466 5.003 -0.386 1.00 54.22 H new ATOM 0 HG3 ARG A 43 -20.372 3.772 0.212 1.00 54.22 H new ATOM 0 HD2 ARG A 43 -20.168 6.354 1.649 1.00 1.13 H new ATOM 0 HD3 ARG A 43 -21.743 5.596 1.778 1.00 1.13 H new ATOM 0 HE ARG A 43 -19.267 4.700 3.013 1.00 12.11 H new ATOM 0 HH11 ARG A 43 -22.383 3.655 1.727 1.00 32.11 H new ATOM 0 HH12 ARG A 43 -22.443 2.205 2.734 1.00 32.11 H new ATOM 0 HH21 ARG A 43 -19.350 2.834 4.304 1.00 63.52 H new ATOM 0 HH22 ARG A 43 -20.733 1.742 4.187 1.00 63.52 H new ATOM 705 N PHE A 44 -18.349 5.744 -3.709 1.00 61.04 N ATOM 706 CA PHE A 44 -18.673 6.173 -5.065 1.00 13.04 C ATOM 707 C PHE A 44 -18.014 5.262 -6.096 1.00 72.42 C ATOM 708 O PHE A 44 -17.820 5.649 -7.248 1.00 14.24 O ATOM 709 CB PHE A 44 -18.225 7.619 -5.285 1.00 61.44 C ATOM 710 CG PHE A 44 -18.985 8.615 -4.456 1.00 20.23 C ATOM 711 CD1 PHE A 44 -20.371 8.626 -4.460 1.00 35.54 C ATOM 712 CD2 PHE A 44 -18.314 9.539 -3.670 1.00 54.23 C ATOM 713 CE1 PHE A 44 -21.072 9.543 -3.698 1.00 12.43 C ATOM 714 CE2 PHE A 44 -19.009 10.456 -2.906 1.00 34.11 C ATOM 715 CZ PHE A 44 -20.390 10.457 -2.919 1.00 54.34 C ATOM 0 H PHE A 44 -17.451 6.081 -3.363 1.00 61.04 H new ATOM 0 HA PHE A 44 -19.754 6.111 -5.191 1.00 13.04 H new ATOM 0 HB2 PHE A 44 -17.163 7.701 -5.054 1.00 61.44 H new ATOM 0 HB3 PHE A 44 -18.342 7.871 -6.339 1.00 61.44 H new ATOM 0 HD1 PHE A 44 -20.909 7.911 -5.065 1.00 35.54 H new ATOM 0 HD2 PHE A 44 -17.234 9.542 -3.655 1.00 54.23 H new ATOM 0 HE1 PHE A 44 -22.152 9.544 -3.712 1.00 12.43 H new ATOM 0 HE2 PHE A 44 -18.473 11.171 -2.299 1.00 34.11 H new ATOM 0 HZ PHE A 44 -20.936 11.172 -2.321 1.00 54.34 H new ATOM 725 N ALA A 45 -17.671 4.050 -5.673 1.00 34.43 N ATOM 726 CA ALA A 45 -17.034 3.083 -6.558 1.00 55.45 C ATOM 727 C ALA A 45 -15.663 3.574 -7.013 1.00 63.34 C ATOM 728 O ALA A 45 -15.143 3.132 -8.038 1.00 24.13 O ATOM 729 CB ALA A 45 -17.923 2.804 -7.761 1.00 42.02 C ATOM 0 H ALA A 45 -17.824 3.714 -4.722 1.00 34.43 H new ATOM 0 HA ALA A 45 -16.892 2.156 -6.002 1.00 55.45 H new ATOM 0 HB1 ALA A 45 -17.435 2.080 -8.414 1.00 42.02 H new ATOM 0 HB2 ALA A 45 -18.878 2.402 -7.422 1.00 42.02 H new ATOM 0 HB3 ALA A 45 -18.094 3.730 -8.310 1.00 42.02 H new ATOM 735 N VAL A 46 -15.084 4.491 -6.246 1.00 32.44 N ATOM 736 CA VAL A 46 -13.774 5.042 -6.569 1.00 14.12 C ATOM 737 C VAL A 46 -12.749 4.693 -5.495 1.00 64.03 C ATOM 738 O VAL A 46 -12.930 5.017 -4.323 1.00 33.12 O ATOM 739 CB VAL A 46 -13.832 6.573 -6.728 1.00 53.43 C ATOM 740 CG1 VAL A 46 -12.439 7.140 -6.961 1.00 2.21 C ATOM 741 CG2 VAL A 46 -14.768 6.954 -7.866 1.00 2.12 C ATOM 0 H VAL A 46 -15.502 4.868 -5.396 1.00 32.44 H new ATOM 0 HA VAL A 46 -13.470 4.596 -7.516 1.00 14.12 H new ATOM 0 HB VAL A 46 -14.223 7.002 -5.805 1.00 53.43 H new ATOM 0 HG11 VAL A 46 -12.501 8.223 -7.071 1.00 2.21 H new ATOM 0 HG12 VAL A 46 -11.801 6.897 -6.112 1.00 2.21 H new ATOM 0 HG13 VAL A 46 -12.017 6.707 -7.868 1.00 2.21 H new ATOM 0 HG21 VAL A 46 -14.798 8.039 -7.965 1.00 2.12 H new ATOM 0 HG22 VAL A 46 -14.408 6.514 -8.796 1.00 2.12 H new ATOM 0 HG23 VAL A 46 -15.770 6.582 -7.653 1.00 2.12 H new ATOM 751 N ASN A 47 -11.674 4.029 -5.904 1.00 73.04 N ATOM 752 CA ASN A 47 -10.619 3.635 -4.977 1.00 3.22 C ATOM 753 C ASN A 47 -9.947 4.861 -4.365 1.00 5.53 C ATOM 754 O ASN A 47 -9.682 5.856 -5.039 1.00 71.15 O ATOM 755 CB ASN A 47 -9.578 2.773 -5.692 1.00 72.13 C ATOM 756 CG ASN A 47 -9.881 1.291 -5.584 1.00 51.13 C ATOM 757 OD1 ASN A 47 -10.761 0.774 -6.274 1.00 33.52 O ATOM 758 ND2 ASN A 47 -9.152 0.600 -4.716 1.00 44.34 N ATOM 0 H ASN A 47 -11.510 3.752 -6.872 1.00 73.04 H new ATOM 0 HA ASN A 47 -11.073 3.053 -4.175 1.00 3.22 H new ATOM 0 HB2 ASN A 47 -9.536 3.057 -6.744 1.00 72.13 H new ATOM 0 HB3 ASN A 47 -8.593 2.971 -5.269 1.00 72.13 H new ATOM 0 HD21 ASN A 47 -9.310 -0.401 -4.600 1.00 44.34 H new ATOM 0 HD22 ASN A 47 -8.433 1.070 -4.165 1.00 44.34 H new ATOM 765 N PRO A 48 -9.665 4.789 -3.055 1.00 4.41 N ATOM 766 CA PRO A 48 -9.020 5.882 -2.324 1.00 33.54 C ATOM 767 C PRO A 48 -7.561 6.070 -2.727 1.00 42.43 C ATOM 768 O PRO A 48 -6.908 7.022 -2.306 1.00 21.11 O ATOM 769 CB PRO A 48 -9.117 5.437 -0.862 1.00 41.34 C ATOM 770 CG PRO A 48 -9.206 3.952 -0.924 1.00 53.52 C ATOM 771 CD PRO A 48 -9.954 3.634 -2.189 1.00 44.42 C ATOM 0 HA PRO A 48 -9.496 6.842 -2.525 1.00 33.54 H new ATOM 0 HB2 PRO A 48 -8.245 5.758 -0.292 1.00 41.34 H new ATOM 0 HB3 PRO A 48 -9.992 5.866 -0.375 1.00 41.34 H new ATOM 0 HG2 PRO A 48 -8.213 3.502 -0.934 1.00 53.52 H new ATOM 0 HG3 PRO A 48 -9.727 3.556 -0.053 1.00 53.52 H new ATOM 0 HD2 PRO A 48 -9.610 2.701 -2.635 1.00 44.42 H new ATOM 0 HD3 PRO A 48 -11.023 3.525 -2.007 1.00 44.42 H new ATOM 779 N GLY A 49 -7.057 5.153 -3.548 1.00 45.41 N ATOM 780 CA GLY A 49 -5.680 5.235 -3.995 1.00 74.20 C ATOM 781 C GLY A 49 -5.469 6.328 -5.024 1.00 73.45 C ATOM 782 O GLY A 49 -4.333 6.690 -5.333 1.00 34.24 O ATOM 0 H GLY A 49 -7.579 4.355 -3.911 1.00 45.41 H new ATOM 0 HA2 GLY A 49 -5.033 5.418 -3.137 1.00 74.20 H new ATOM 0 HA3 GLY A 49 -5.382 4.277 -4.421 1.00 74.20 H new ATOM 786 N LEU A 50 -6.565 6.855 -5.559 1.00 50.32 N ATOM 787 CA LEU A 50 -6.496 7.912 -6.562 1.00 32.00 C ATOM 788 C LEU A 50 -6.202 9.260 -5.912 1.00 34.05 C ATOM 789 O LEU A 50 -6.063 10.275 -6.597 1.00 14.55 O ATOM 790 CB LEU A 50 -7.807 7.986 -7.346 1.00 23.12 C ATOM 791 CG LEU A 50 -8.308 6.669 -7.941 1.00 72.40 C ATOM 792 CD1 LEU A 50 -9.681 6.855 -8.567 1.00 63.10 C ATOM 793 CD2 LEU A 50 -7.319 6.138 -8.969 1.00 23.23 C ATOM 0 H LEU A 50 -7.513 6.567 -5.315 1.00 50.32 H new ATOM 0 HA LEU A 50 -5.683 7.675 -7.248 1.00 32.00 H new ATOM 0 HB2 LEU A 50 -8.580 8.381 -6.687 1.00 23.12 H new ATOM 0 HB3 LEU A 50 -7.682 8.704 -8.157 1.00 23.12 H new ATOM 0 HG LEU A 50 -8.394 5.938 -7.137 1.00 72.40 H new ATOM 0 HD11 LEU A 50 -10.022 5.908 -8.985 1.00 63.10 H new ATOM 0 HD12 LEU A 50 -10.386 7.190 -7.806 1.00 63.10 H new ATOM 0 HD13 LEU A 50 -9.622 7.601 -9.359 1.00 63.10 H new ATOM 0 HD21 LEU A 50 -7.692 5.201 -9.382 1.00 23.23 H new ATOM 0 HD22 LEU A 50 -7.202 6.867 -9.771 1.00 23.23 H new ATOM 0 HD23 LEU A 50 -6.355 5.966 -8.491 1.00 23.23 H new ATOM 805 N LEU A 51 -6.106 9.264 -4.587 1.00 74.12 N ATOM 806 CA LEU A 51 -5.825 10.487 -3.843 1.00 62.32 C ATOM 807 C LEU A 51 -4.324 10.670 -3.642 1.00 23.04 C ATOM 808 O LEU A 51 -3.859 11.767 -3.338 1.00 31.53 O ATOM 809 CB LEU A 51 -6.533 10.458 -2.488 1.00 42.34 C ATOM 810 CG LEU A 51 -8.062 10.491 -2.529 1.00 50.31 C ATOM 811 CD1 LEU A 51 -8.640 10.089 -1.181 1.00 32.20 C ATOM 812 CD2 LEU A 51 -8.554 11.873 -2.933 1.00 5.22 C ATOM 0 H LEU A 51 -6.219 8.434 -4.005 1.00 74.12 H new ATOM 0 HA LEU A 51 -6.200 11.330 -4.424 1.00 62.32 H new ATOM 0 HB2 LEU A 51 -6.223 9.558 -1.958 1.00 42.34 H new ATOM 0 HB3 LEU A 51 -6.187 11.309 -1.901 1.00 42.34 H new ATOM 0 HG LEU A 51 -8.403 9.774 -3.275 1.00 50.31 H new ATOM 0 HD11 LEU A 51 -9.729 10.118 -1.229 1.00 32.20 H new ATOM 0 HD12 LEU A 51 -8.315 9.079 -0.932 1.00 32.20 H new ATOM 0 HD13 LEU A 51 -8.292 10.781 -0.415 1.00 32.20 H new ATOM 0 HD21 LEU A 51 -9.644 11.879 -2.957 1.00 5.22 H new ATOM 0 HD22 LEU A 51 -8.203 12.610 -2.210 1.00 5.22 H new ATOM 0 HD23 LEU A 51 -8.168 12.122 -3.921 1.00 5.22 H new ATOM 824 N GLU A 52 -3.573 9.587 -3.815 1.00 70.51 N ATOM 825 CA GLU A 52 -2.124 9.630 -3.653 1.00 4.33 C ATOM 826 C GLU A 52 -1.434 9.878 -4.991 1.00 4.11 C ATOM 827 O GLU A 52 -0.307 9.435 -5.214 1.00 30.00 O ATOM 828 CB GLU A 52 -1.618 8.321 -3.041 1.00 64.25 C ATOM 829 CG GLU A 52 -1.858 7.106 -3.921 1.00 72.13 C ATOM 830 CD GLU A 52 -0.759 6.068 -3.794 1.00 31.34 C ATOM 831 OE1 GLU A 52 -0.319 5.807 -2.655 1.00 23.11 O ATOM 832 OE2 GLU A 52 -0.338 5.519 -4.833 1.00 53.13 O ATOM 0 H GLU A 52 -3.943 8.670 -4.067 1.00 70.51 H new ATOM 0 HA GLU A 52 -1.884 10.454 -2.981 1.00 4.33 H new ATOM 0 HB2 GLU A 52 -0.550 8.411 -2.843 1.00 64.25 H new ATOM 0 HB3 GLU A 52 -2.108 8.166 -2.080 1.00 64.25 H new ATOM 0 HG2 GLU A 52 -2.813 6.653 -3.656 1.00 72.13 H new ATOM 0 HG3 GLU A 52 -1.934 7.424 -4.961 1.00 72.13 H new ATOM 839 N THR A 53 -2.118 10.591 -5.880 1.00 65.13 N ATOM 840 CA THR A 53 -1.574 10.897 -7.198 1.00 11.24 C ATOM 841 C THR A 53 -2.391 11.982 -7.891 1.00 54.31 C ATOM 842 O THR A 53 -3.557 11.776 -8.226 1.00 20.00 O ATOM 843 CB THR A 53 -1.537 9.646 -8.095 1.00 35.43 C ATOM 844 OG1 THR A 53 -1.765 10.016 -9.459 1.00 55.55 O ATOM 845 CG2 THR A 53 -2.584 8.633 -7.656 1.00 70.42 C ATOM 0 H THR A 53 -3.051 10.968 -5.711 1.00 65.13 H new ATOM 0 HA THR A 53 -0.556 11.255 -7.045 1.00 11.24 H new ATOM 0 HB THR A 53 -0.552 9.188 -8.003 1.00 35.43 H new ATOM 0 HG1 THR A 53 -1.739 9.216 -10.024 1.00 55.55 H new ATOM 0 HG21 THR A 53 -2.538 7.758 -8.305 1.00 70.42 H new ATOM 0 HG22 THR A 53 -2.390 8.332 -6.627 1.00 70.42 H new ATOM 0 HG23 THR A 53 -3.575 9.082 -7.722 1.00 70.42 H new ATOM 853 N SER A 54 -1.770 13.138 -8.104 1.00 31.33 N ATOM 854 CA SER A 54 -2.441 14.257 -8.755 1.00 53.13 C ATOM 855 C SER A 54 -3.150 13.800 -10.027 1.00 53.22 C ATOM 856 O SER A 54 -4.259 14.241 -10.325 1.00 30.44 O ATOM 857 CB SER A 54 -1.433 15.359 -9.088 1.00 73.51 C ATOM 858 OG SER A 54 -1.105 15.350 -10.466 1.00 73.33 O ATOM 0 H SER A 54 -0.804 13.324 -7.835 1.00 31.33 H new ATOM 0 HA SER A 54 -3.187 14.652 -8.066 1.00 53.13 H new ATOM 0 HB2 SER A 54 -1.847 16.330 -8.816 1.00 73.51 H new ATOM 0 HB3 SER A 54 -0.529 15.221 -8.495 1.00 73.51 H new ATOM 0 HG SER A 54 -0.461 16.064 -10.654 1.00 73.33 H new ATOM 864 N GLU A 55 -2.499 12.912 -10.772 1.00 44.23 N ATOM 865 CA GLU A 55 -3.067 12.395 -12.013 1.00 3.31 C ATOM 866 C GLU A 55 -4.329 11.584 -11.736 1.00 64.14 C ATOM 867 O GLU A 55 -5.265 11.581 -12.535 1.00 2.32 O ATOM 868 CB GLU A 55 -2.041 11.529 -12.747 1.00 64.21 C ATOM 869 CG GLU A 55 -1.417 12.213 -13.951 1.00 30.40 C ATOM 870 CD GLU A 55 -0.562 13.405 -13.566 1.00 63.40 C ATOM 871 OE1 GLU A 55 -1.113 14.520 -13.455 1.00 21.02 O ATOM 872 OE2 GLU A 55 0.659 13.222 -13.376 1.00 62.21 O ATOM 0 H GLU A 55 -1.580 12.536 -10.539 1.00 44.23 H new ATOM 0 HA GLU A 55 -3.332 13.244 -12.643 1.00 3.31 H new ATOM 0 HB2 GLU A 55 -1.251 11.247 -12.050 1.00 64.21 H new ATOM 0 HB3 GLU A 55 -2.523 10.607 -13.073 1.00 64.21 H new ATOM 0 HG2 GLU A 55 -0.806 11.494 -14.497 1.00 30.40 H new ATOM 0 HG3 GLU A 55 -2.206 12.540 -14.628 1.00 30.40 H new ATOM 879 N GLY A 56 -4.347 10.895 -10.598 1.00 70.12 N ATOM 880 CA GLY A 56 -5.498 10.089 -10.237 1.00 3.11 C ATOM 881 C GLY A 56 -6.592 10.904 -9.574 1.00 53.43 C ATOM 882 O GLY A 56 -7.755 10.498 -9.559 1.00 34.21 O ATOM 0 H GLY A 56 -3.585 10.881 -9.920 1.00 70.12 H new ATOM 0 HA2 GLY A 56 -5.897 9.610 -11.131 1.00 3.11 H new ATOM 0 HA3 GLY A 56 -5.183 9.293 -9.563 1.00 3.11 H new ATOM 886 N CYS A 57 -6.219 12.054 -9.024 1.00 53.10 N ATOM 887 CA CYS A 57 -7.177 12.926 -8.354 1.00 73.32 C ATOM 888 C CYS A 57 -8.066 13.638 -9.369 1.00 2.34 C ATOM 889 O CYS A 57 -9.173 14.069 -9.044 1.00 54.24 O ATOM 890 CB CYS A 57 -6.443 13.955 -7.491 1.00 5.40 C ATOM 891 SG CYS A 57 -6.689 13.734 -5.713 1.00 12.21 S ATOM 0 H CYS A 57 -5.261 12.404 -9.029 1.00 53.10 H new ATOM 0 HA CYS A 57 -7.808 12.309 -7.715 1.00 73.32 H new ATOM 0 HB2 CYS A 57 -5.376 13.902 -7.709 1.00 5.40 H new ATOM 0 HB3 CYS A 57 -6.777 14.954 -7.772 1.00 5.40 H new ATOM 0 HG CYS A 57 -6.029 14.648 -5.067 1.00 12.21 H new ATOM 897 N ARG A 58 -7.574 13.758 -10.597 1.00 60.34 N ATOM 898 CA ARG A 58 -8.323 14.421 -11.659 1.00 15.11 C ATOM 899 C ARG A 58 -9.547 13.600 -12.053 1.00 4.53 C ATOM 900 O ARG A 58 -10.612 14.152 -12.333 1.00 54.14 O ATOM 901 CB ARG A 58 -7.429 14.643 -12.880 1.00 3.34 C ATOM 902 CG ARG A 58 -7.445 16.073 -13.394 1.00 22.41 C ATOM 903 CD ARG A 58 -7.407 16.120 -14.913 1.00 33.22 C ATOM 904 NE ARG A 58 -6.210 16.794 -15.410 1.00 0.31 N ATOM 905 CZ ARG A 58 -5.017 16.213 -15.484 1.00 23.22 C ATOM 906 NH1 ARG A 58 -4.863 14.954 -15.095 1.00 73.35 N ATOM 907 NH2 ARG A 58 -3.975 16.891 -15.947 1.00 62.24 N ATOM 0 H ARG A 58 -6.660 13.405 -10.882 1.00 60.34 H new ATOM 0 HA ARG A 58 -8.660 15.387 -11.284 1.00 15.11 H new ATOM 0 HB2 ARG A 58 -6.405 14.369 -12.625 1.00 3.34 H new ATOM 0 HB3 ARG A 58 -7.748 13.975 -13.680 1.00 3.34 H new ATOM 0 HG2 ARG A 58 -8.341 16.579 -13.036 1.00 22.41 H new ATOM 0 HG3 ARG A 58 -6.590 16.615 -12.991 1.00 22.41 H new ATOM 0 HD2 ARG A 58 -7.442 15.105 -15.308 1.00 33.22 H new ATOM 0 HD3 ARG A 58 -8.293 16.636 -15.282 1.00 33.22 H new ATOM 0 HE ARG A 58 -6.294 17.763 -15.717 1.00 0.31 H new ATOM 0 HH11 ARG A 58 -5.661 14.429 -14.738 1.00 73.35 H new ATOM 0 HH12 ARG A 58 -3.946 14.511 -15.153 1.00 73.35 H new ATOM 0 HH21 ARG A 58 -4.089 17.859 -16.247 1.00 62.24 H new ATOM 0 HH22 ARG A 58 -3.060 16.444 -16.003 1.00 62.24 H new ATOM 921 N GLN A 59 -9.388 12.281 -12.073 1.00 13.11 N ATOM 922 CA GLN A 59 -10.480 11.385 -12.435 1.00 14.14 C ATOM 923 C GLN A 59 -11.649 11.534 -11.467 1.00 21.12 C ATOM 924 O GLN A 59 -12.810 11.395 -11.854 1.00 54.03 O ATOM 925 CB GLN A 59 -9.995 9.934 -12.446 1.00 61.21 C ATOM 926 CG GLN A 59 -9.527 9.460 -13.813 1.00 61.30 C ATOM 927 CD GLN A 59 -10.668 8.968 -14.682 1.00 72.31 C ATOM 928 OE1 GLN A 59 -11.511 8.190 -14.237 1.00 3.31 O ATOM 929 NE2 GLN A 59 -10.700 9.421 -15.930 1.00 25.32 N ATOM 0 H GLN A 59 -8.514 11.809 -11.843 1.00 13.11 H new ATOM 0 HA GLN A 59 -10.822 11.655 -13.434 1.00 14.14 H new ATOM 0 HB2 GLN A 59 -9.177 9.828 -11.734 1.00 61.21 H new ATOM 0 HB3 GLN A 59 -10.802 9.287 -12.103 1.00 61.21 H new ATOM 0 HG2 GLN A 59 -9.015 10.277 -14.321 1.00 61.30 H new ATOM 0 HG3 GLN A 59 -8.800 8.658 -13.686 1.00 61.30 H new ATOM 0 HE21 GLN A 59 -9.980 10.065 -16.257 1.00 25.32 H new ATOM 0 HE22 GLN A 59 -11.444 9.125 -16.561 1.00 25.32 H new ATOM 938 N ILE A 60 -11.336 11.819 -10.207 1.00 3.32 N ATOM 939 CA ILE A 60 -12.362 11.988 -9.185 1.00 51.24 C ATOM 940 C ILE A 60 -13.230 13.208 -9.474 1.00 11.31 C ATOM 941 O ILE A 60 -14.448 13.097 -9.620 1.00 15.31 O ATOM 942 CB ILE A 60 -11.741 12.133 -7.783 1.00 14.01 C ATOM 943 CG1 ILE A 60 -10.767 10.984 -7.511 1.00 62.33 C ATOM 944 CG2 ILE A 60 -12.831 12.173 -6.723 1.00 53.20 C ATOM 945 CD1 ILE A 60 -9.977 11.152 -6.232 1.00 21.21 C ATOM 0 H ILE A 60 -10.381 11.938 -9.870 1.00 3.32 H new ATOM 0 HA ILE A 60 -12.981 11.091 -9.208 1.00 51.24 H new ATOM 0 HB ILE A 60 -11.187 13.071 -7.742 1.00 14.01 H new ATOM 0 HG12 ILE A 60 -11.325 10.049 -7.464 1.00 62.33 H new ATOM 0 HG13 ILE A 60 -10.074 10.900 -8.348 1.00 62.33 H new ATOM 0 HG21 ILE A 60 -12.377 12.276 -5.738 1.00 53.20 H new ATOM 0 HG22 ILE A 60 -13.489 13.022 -6.909 1.00 53.20 H new ATOM 0 HG23 ILE A 60 -13.410 11.250 -6.761 1.00 53.20 H new ATOM 0 HD11 ILE A 60 -9.308 10.301 -6.103 1.00 21.21 H new ATOM 0 HD12 ILE A 60 -9.392 12.070 -6.284 1.00 21.21 H new ATOM 0 HD13 ILE A 60 -10.662 11.206 -5.386 1.00 21.21 H new ATOM 957 N LEU A 61 -12.595 14.371 -9.556 1.00 64.51 N ATOM 958 CA LEU A 61 -13.309 15.614 -9.830 1.00 30.41 C ATOM 959 C LEU A 61 -14.057 15.532 -11.156 1.00 3.32 C ATOM 960 O LEU A 61 -15.185 16.011 -11.275 1.00 10.24 O ATOM 961 CB LEU A 61 -12.332 16.791 -9.855 1.00 34.42 C ATOM 962 CG LEU A 61 -11.489 16.992 -8.594 1.00 70.02 C ATOM 963 CD1 LEU A 61 -10.186 17.699 -8.930 1.00 74.24 C ATOM 964 CD2 LEU A 61 -12.270 17.776 -7.550 1.00 61.34 C ATOM 0 H LEU A 61 -11.588 14.480 -9.437 1.00 64.51 H new ATOM 0 HA LEU A 61 -14.036 15.769 -9.033 1.00 30.41 H new ATOM 0 HB2 LEU A 61 -11.658 16.659 -10.701 1.00 34.42 H new ATOM 0 HB3 LEU A 61 -12.899 17.704 -10.038 1.00 34.42 H new ATOM 0 HG LEU A 61 -11.250 16.012 -8.180 1.00 70.02 H new ATOM 0 HD11 LEU A 61 -9.600 17.833 -8.021 1.00 74.24 H new ATOM 0 HD12 LEU A 61 -9.619 17.099 -9.642 1.00 74.24 H new ATOM 0 HD13 LEU A 61 -10.403 18.673 -9.369 1.00 74.24 H new ATOM 0 HD21 LEU A 61 -11.655 17.909 -6.660 1.00 61.34 H new ATOM 0 HD22 LEU A 61 -12.540 18.752 -7.954 1.00 61.34 H new ATOM 0 HD23 LEU A 61 -13.175 17.229 -7.287 1.00 61.34 H new ATOM 976 N GLY A 62 -13.423 14.919 -12.151 1.00 25.13 N ATOM 977 CA GLY A 62 -14.045 14.783 -13.454 1.00 65.23 C ATOM 978 C GLY A 62 -15.234 13.842 -13.435 1.00 23.50 C ATOM 979 O GLY A 62 -16.104 13.914 -14.302 1.00 63.14 O ATOM 0 H GLY A 62 -12.490 14.514 -12.077 1.00 25.13 H new ATOM 0 HA2 GLY A 62 -14.368 15.764 -13.803 1.00 65.23 H new ATOM 0 HA3 GLY A 62 -13.308 14.417 -14.169 1.00 65.23 H new ATOM 983 N GLN A 63 -15.271 12.959 -12.442 1.00 55.45 N ATOM 984 CA GLN A 63 -16.361 11.999 -12.316 1.00 21.55 C ATOM 985 C GLN A 63 -17.562 12.629 -11.618 1.00 62.52 C ATOM 986 O GLN A 63 -18.688 12.560 -12.114 1.00 73.42 O ATOM 987 CB GLN A 63 -15.896 10.766 -11.539 1.00 52.34 C ATOM 988 CG GLN A 63 -15.762 9.520 -12.400 1.00 3.11 C ATOM 989 CD GLN A 63 -14.360 9.336 -12.947 1.00 42.12 C ATOM 990 OE1 GLN A 63 -13.483 8.800 -12.271 1.00 3.21 O ATOM 991 NE2 GLN A 63 -14.143 9.781 -14.179 1.00 75.41 N ATOM 0 H GLN A 63 -14.560 12.889 -11.714 1.00 55.45 H new ATOM 0 HA GLN A 63 -16.662 11.696 -13.319 1.00 21.55 H new ATOM 0 HB2 GLN A 63 -14.934 10.981 -11.074 1.00 52.34 H new ATOM 0 HB3 GLN A 63 -16.602 10.567 -10.733 1.00 52.34 H new ATOM 0 HG2 GLN A 63 -16.036 8.645 -11.811 1.00 3.11 H new ATOM 0 HG3 GLN A 63 -16.467 9.579 -13.230 1.00 3.11 H new ATOM 0 HE21 GLN A 63 -14.900 10.219 -14.704 1.00 75.41 H new ATOM 0 HE22 GLN A 63 -13.219 9.684 -14.601 1.00 75.41 H new ATOM 1000 N LEU A 64 -17.317 13.243 -10.466 1.00 74.44 N ATOM 1001 CA LEU A 64 -18.378 13.887 -9.700 1.00 5.42 C ATOM 1002 C LEU A 64 -18.876 15.142 -10.408 1.00 45.12 C ATOM 1003 O LEU A 64 -20.027 15.546 -10.238 1.00 54.23 O ATOM 1004 CB LEU A 64 -17.879 14.241 -8.298 1.00 62.54 C ATOM 1005 CG LEU A 64 -17.186 13.117 -7.528 1.00 54.45 C ATOM 1006 CD1 LEU A 64 -16.532 13.659 -6.266 1.00 71.15 C ATOM 1007 CD2 LEU A 64 -18.177 12.015 -7.185 1.00 44.11 C ATOM 0 H LEU A 64 -16.392 13.308 -10.041 1.00 74.44 H new ATOM 0 HA LEU A 64 -19.209 13.186 -9.617 1.00 5.42 H new ATOM 0 HB2 LEU A 64 -17.186 15.078 -8.382 1.00 62.54 H new ATOM 0 HB3 LEU A 64 -18.728 14.588 -7.709 1.00 62.54 H new ATOM 0 HG LEU A 64 -16.408 12.694 -8.163 1.00 54.45 H new ATOM 0 HD11 LEU A 64 -16.044 12.845 -5.731 1.00 71.15 H new ATOM 0 HD12 LEU A 64 -15.791 14.412 -6.535 1.00 71.15 H new ATOM 0 HD13 LEU A 64 -17.292 14.109 -5.627 1.00 71.15 H new ATOM 0 HD21 LEU A 64 -17.666 11.224 -6.637 1.00 44.11 H new ATOM 0 HD22 LEU A 64 -18.977 12.424 -6.569 1.00 44.11 H new ATOM 0 HD23 LEU A 64 -18.599 11.606 -8.103 1.00 44.11 H new ATOM 1019 N GLN A 65 -18.004 15.753 -11.202 1.00 61.12 N ATOM 1020 CA GLN A 65 -18.357 16.962 -11.937 1.00 33.24 C ATOM 1021 C GLN A 65 -19.712 16.808 -12.620 1.00 62.42 C ATOM 1022 O GLN A 65 -20.669 17.522 -12.320 1.00 43.41 O ATOM 1023 CB GLN A 65 -17.282 17.284 -12.977 1.00 70.51 C ATOM 1024 CG GLN A 65 -16.511 18.560 -12.679 1.00 73.33 C ATOM 1025 CD GLN A 65 -15.475 18.876 -13.740 1.00 34.32 C ATOM 1026 OE1 GLN A 65 -15.224 18.073 -14.638 1.00 54.12 O ATOM 1027 NE2 GLN A 65 -14.867 20.053 -13.642 1.00 13.14 N ATOM 0 H GLN A 65 -17.048 15.431 -11.353 1.00 61.12 H new ATOM 0 HA GLN A 65 -18.421 17.784 -11.224 1.00 33.24 H new ATOM 0 HB2 GLN A 65 -16.582 16.451 -13.033 1.00 70.51 H new ATOM 0 HB3 GLN A 65 -17.751 17.373 -13.957 1.00 70.51 H new ATOM 0 HG2 GLN A 65 -17.210 19.392 -12.600 1.00 73.33 H new ATOM 0 HG3 GLN A 65 -16.018 18.465 -11.712 1.00 73.33 H new ATOM 0 HE21 GLN A 65 -15.106 20.689 -12.881 1.00 13.14 H new ATOM 0 HE22 GLN A 65 -14.161 20.321 -14.328 1.00 13.14 H new ATOM 1036 N PRO A 66 -19.797 15.856 -13.560 1.00 11.11 N ATOM 1037 CA PRO A 66 -21.030 15.586 -14.305 1.00 42.44 C ATOM 1038 C PRO A 66 -22.109 14.956 -13.431 1.00 34.13 C ATOM 1039 O PRO A 66 -23.192 14.620 -13.910 1.00 61.11 O ATOM 1040 CB PRO A 66 -20.581 14.605 -15.390 1.00 52.24 C ATOM 1041 CG PRO A 66 -19.377 13.936 -14.823 1.00 13.30 C ATOM 1042 CD PRO A 66 -18.695 14.968 -13.968 1.00 73.10 C ATOM 0 HA PRO A 66 -21.478 16.499 -14.696 1.00 42.44 H new ATOM 0 HB2 PRO A 66 -21.364 13.882 -15.619 1.00 52.24 H new ATOM 0 HB3 PRO A 66 -20.345 15.124 -16.319 1.00 52.24 H new ATOM 0 HG2 PRO A 66 -19.657 13.063 -14.233 1.00 13.30 H new ATOM 0 HG3 PRO A 66 -18.715 13.586 -15.615 1.00 13.30 H new ATOM 0 HD2 PRO A 66 -18.204 14.515 -13.107 1.00 73.10 H new ATOM 0 HD3 PRO A 66 -17.929 15.508 -14.524 1.00 73.10 H new ATOM 1050 N SER A 67 -21.806 14.800 -12.146 1.00 4.24 N ATOM 1051 CA SER A 67 -22.750 14.207 -11.205 1.00 45.34 C ATOM 1052 C SER A 67 -23.222 15.240 -10.186 1.00 51.52 C ATOM 1053 O SER A 67 -24.105 14.967 -9.371 1.00 61.05 O ATOM 1054 CB SER A 67 -22.108 13.019 -10.485 1.00 74.34 C ATOM 1055 OG SER A 67 -21.890 11.940 -11.377 1.00 72.32 O ATOM 0 H SER A 67 -20.915 15.076 -11.733 1.00 4.24 H new ATOM 0 HA SER A 67 -23.615 13.856 -11.768 1.00 45.34 H new ATOM 0 HB2 SER A 67 -21.160 13.327 -10.043 1.00 74.34 H new ATOM 0 HB3 SER A 67 -22.751 12.695 -9.667 1.00 74.34 H new ATOM 0 HG SER A 67 -20.958 11.949 -11.680 1.00 72.32 H new ATOM 1061 N LEU A 68 -22.626 16.426 -10.236 1.00 71.35 N ATOM 1062 CA LEU A 68 -22.984 17.502 -9.318 1.00 3.52 C ATOM 1063 C LEU A 68 -24.466 17.844 -9.431 1.00 62.53 C ATOM 1064 O LEU A 68 -25.032 18.489 -8.550 1.00 10.32 O ATOM 1065 CB LEU A 68 -22.138 18.744 -9.601 1.00 52.43 C ATOM 1066 CG LEU A 68 -20.698 18.708 -9.087 1.00 44.41 C ATOM 1067 CD1 LEU A 68 -19.824 19.666 -9.881 1.00 31.34 C ATOM 1068 CD2 LEU A 68 -20.653 19.044 -7.604 1.00 50.54 C ATOM 0 H LEU A 68 -21.893 16.667 -10.902 1.00 71.35 H new ATOM 0 HA LEU A 68 -22.786 17.160 -8.302 1.00 3.52 H new ATOM 0 HB2 LEU A 68 -22.114 18.904 -10.679 1.00 52.43 H new ATOM 0 HB3 LEU A 68 -22.638 19.607 -9.161 1.00 52.43 H new ATOM 0 HG LEU A 68 -20.309 17.699 -9.222 1.00 44.41 H new ATOM 0 HD11 LEU A 68 -18.803 19.627 -9.501 1.00 31.34 H new ATOM 0 HD12 LEU A 68 -19.831 19.379 -10.932 1.00 31.34 H new ATOM 0 HD13 LEU A 68 -20.210 20.680 -9.779 1.00 31.34 H new ATOM 0 HD21 LEU A 68 -19.621 19.014 -7.255 1.00 50.54 H new ATOM 0 HD22 LEU A 68 -21.061 20.042 -7.445 1.00 50.54 H new ATOM 0 HD23 LEU A 68 -21.245 18.317 -7.048 1.00 50.54 H new ATOM 1080 N GLN A 69 -25.087 17.406 -10.521 1.00 51.25 N ATOM 1081 CA GLN A 69 -26.504 17.666 -10.749 1.00 12.13 C ATOM 1082 C GLN A 69 -27.369 16.640 -10.025 1.00 34.25 C ATOM 1083 O GLN A 69 -28.384 16.984 -9.417 1.00 75.44 O ATOM 1084 CB GLN A 69 -26.814 17.644 -12.247 1.00 10.03 C ATOM 1085 CG GLN A 69 -28.088 18.386 -12.616 1.00 33.45 C ATOM 1086 CD GLN A 69 -29.340 17.621 -12.234 1.00 32.44 C ATOM 1087 OE1 GLN A 69 -30.056 18.003 -11.307 1.00 62.11 O ATOM 1088 NE2 GLN A 69 -29.612 16.536 -12.947 1.00 55.43 N ATOM 0 H GLN A 69 -24.632 16.870 -11.260 1.00 51.25 H new ATOM 0 HA GLN A 69 -26.734 18.654 -10.352 1.00 12.13 H new ATOM 0 HB2 GLN A 69 -25.977 18.084 -12.789 1.00 10.03 H new ATOM 0 HB3 GLN A 69 -26.898 16.609 -12.577 1.00 10.03 H new ATOM 0 HG2 GLN A 69 -28.095 19.357 -12.121 1.00 33.45 H new ATOM 0 HG3 GLN A 69 -28.096 18.575 -13.689 1.00 33.45 H new ATOM 0 HE21 GLN A 69 -28.991 16.256 -13.706 1.00 55.43 H new ATOM 0 HE22 GLN A 69 -30.442 15.982 -12.736 1.00 55.43 H new ATOM 1097 N THR A 70 -26.961 15.376 -10.091 1.00 60.14 N ATOM 1098 CA THR A 70 -27.699 14.300 -9.443 1.00 30.32 C ATOM 1099 C THR A 70 -27.072 13.932 -8.103 1.00 31.20 C ATOM 1100 O THR A 70 -27.002 12.759 -7.740 1.00 53.34 O ATOM 1101 CB THR A 70 -27.757 13.043 -10.332 1.00 21.12 C ATOM 1102 OG1 THR A 70 -26.433 12.557 -10.579 1.00 61.35 O ATOM 1103 CG2 THR A 70 -28.447 13.347 -11.653 1.00 15.33 C ATOM 0 H THR A 70 -26.123 15.073 -10.587 1.00 60.14 H new ATOM 0 HA THR A 70 -28.712 14.667 -9.279 1.00 30.32 H new ATOM 0 HB THR A 70 -28.332 12.279 -9.808 1.00 21.12 H new ATOM 0 HG1 THR A 70 -26.478 11.757 -11.143 1.00 61.35 H new ATOM 0 HG21 THR A 70 -28.476 12.445 -12.264 1.00 15.33 H new ATOM 0 HG22 THR A 70 -29.464 13.689 -11.462 1.00 15.33 H new ATOM 0 HG23 THR A 70 -27.896 14.125 -12.181 1.00 15.33 H new ATOM 1111 N GLY A 71 -26.617 14.944 -7.370 1.00 73.43 N ATOM 1112 CA GLY A 71 -26.001 14.706 -6.077 1.00 52.24 C ATOM 1113 C GLY A 71 -26.282 15.818 -5.087 1.00 64.32 C ATOM 1114 O GLY A 71 -26.320 16.992 -5.456 1.00 71.34 O ATOM 0 H GLY A 71 -26.664 15.924 -7.648 1.00 73.43 H new ATOM 0 HA2 GLY A 71 -26.367 13.762 -5.672 1.00 52.24 H new ATOM 0 HA3 GLY A 71 -24.924 14.602 -6.205 1.00 52.24 H new ATOM 1118 N SER A 72 -26.483 15.449 -3.827 1.00 33.54 N ATOM 1119 CA SER A 72 -26.769 16.424 -2.781 1.00 13.21 C ATOM 1120 C SER A 72 -25.478 16.978 -2.186 1.00 54.42 C ATOM 1121 O SER A 72 -24.407 16.859 -2.782 1.00 62.43 O ATOM 1122 CB SER A 72 -27.619 15.789 -1.680 1.00 0.45 C ATOM 1123 OG SER A 72 -26.838 14.938 -0.858 1.00 33.13 O ATOM 0 H SER A 72 -26.453 14.482 -3.505 1.00 33.54 H new ATOM 0 HA SER A 72 -27.325 17.247 -3.230 1.00 13.21 H new ATOM 0 HB2 SER A 72 -28.074 16.570 -1.071 1.00 0.45 H new ATOM 0 HB3 SER A 72 -28.433 15.220 -2.128 1.00 0.45 H new ATOM 0 HG SER A 72 -26.907 15.231 0.075 1.00 33.13 H new ATOM 1129 N GLU A 73 -25.587 17.581 -1.007 1.00 22.20 N ATOM 1130 CA GLU A 73 -24.429 18.154 -0.332 1.00 13.43 C ATOM 1131 C GLU A 73 -23.376 17.084 -0.057 1.00 15.24 C ATOM 1132 O GLU A 73 -22.178 17.367 -0.039 1.00 23.20 O ATOM 1133 CB GLU A 73 -24.851 18.817 0.981 1.00 15.22 C ATOM 1134 CG GLU A 73 -24.961 20.330 0.890 1.00 33.21 C ATOM 1135 CD GLU A 73 -23.632 21.025 1.115 1.00 71.23 C ATOM 1136 OE1 GLU A 73 -22.584 20.406 0.841 1.00 13.35 O ATOM 1137 OE2 GLU A 73 -23.642 22.191 1.564 1.00 71.21 O ATOM 0 H GLU A 73 -26.466 17.685 -0.499 1.00 22.20 H new ATOM 0 HA GLU A 73 -23.995 18.908 -0.988 1.00 13.43 H new ATOM 0 HB2 GLU A 73 -25.813 18.409 1.292 1.00 15.22 H new ATOM 0 HB3 GLU A 73 -24.130 18.559 1.757 1.00 15.22 H new ATOM 0 HG2 GLU A 73 -25.349 20.604 -0.091 1.00 33.21 H new ATOM 0 HG3 GLU A 73 -25.681 20.683 1.628 1.00 33.21 H new ATOM 1144 N GLU A 74 -23.832 15.854 0.158 1.00 11.10 N ATOM 1145 CA GLU A 74 -22.930 14.742 0.433 1.00 51.50 C ATOM 1146 C GLU A 74 -21.828 14.661 -0.620 1.00 5.11 C ATOM 1147 O GLU A 74 -20.733 14.165 -0.353 1.00 21.45 O ATOM 1148 CB GLU A 74 -23.707 13.424 0.477 1.00 13.24 C ATOM 1149 CG GLU A 74 -24.165 13.034 1.872 1.00 54.21 C ATOM 1150 CD GLU A 74 -25.632 13.336 2.110 1.00 72.10 C ATOM 1151 OE1 GLU A 74 -26.124 14.349 1.571 1.00 74.21 O ATOM 1152 OE2 GLU A 74 -26.287 12.559 2.836 1.00 51.10 O ATOM 0 H GLU A 74 -24.820 15.603 0.147 1.00 11.10 H new ATOM 0 HA GLU A 74 -22.468 14.915 1.405 1.00 51.50 H new ATOM 0 HB2 GLU A 74 -24.578 13.504 -0.173 1.00 13.24 H new ATOM 0 HB3 GLU A 74 -23.080 12.629 0.074 1.00 13.24 H new ATOM 0 HG2 GLU A 74 -23.988 11.969 2.024 1.00 54.21 H new ATOM 0 HG3 GLU A 74 -23.564 13.566 2.610 1.00 54.21 H new ATOM 1159 N LEU A 75 -22.127 15.150 -1.818 1.00 21.50 N ATOM 1160 CA LEU A 75 -21.164 15.135 -2.914 1.00 2.44 C ATOM 1161 C LEU A 75 -20.422 16.464 -3.007 1.00 24.33 C ATOM 1162 O LEU A 75 -19.288 16.522 -3.483 1.00 1.12 O ATOM 1163 CB LEU A 75 -21.871 14.839 -4.237 1.00 5.25 C ATOM 1164 CG LEU A 75 -20.978 14.369 -5.386 1.00 24.21 C ATOM 1165 CD1 LEU A 75 -21.275 12.919 -5.734 1.00 53.21 C ATOM 1166 CD2 LEU A 75 -21.164 15.261 -6.604 1.00 62.31 C ATOM 0 H LEU A 75 -23.029 15.562 -2.056 1.00 21.50 H new ATOM 0 HA LEU A 75 -20.437 14.348 -2.714 1.00 2.44 H new ATOM 0 HB2 LEU A 75 -22.629 14.077 -4.058 1.00 5.25 H new ATOM 0 HB3 LEU A 75 -22.394 15.741 -4.556 1.00 5.25 H new ATOM 0 HG LEU A 75 -19.939 14.438 -5.065 1.00 24.21 H new ATOM 0 HD11 LEU A 75 -20.630 12.602 -6.554 1.00 53.21 H new ATOM 0 HD12 LEU A 75 -21.090 12.291 -4.863 1.00 53.21 H new ATOM 0 HD13 LEU A 75 -22.318 12.823 -6.035 1.00 53.21 H new ATOM 0 HD21 LEU A 75 -20.521 14.912 -7.412 1.00 62.31 H new ATOM 0 HD22 LEU A 75 -22.205 15.224 -6.927 1.00 62.31 H new ATOM 0 HD23 LEU A 75 -20.900 16.287 -6.347 1.00 62.31 H new ATOM 1178 N ARG A 76 -21.070 17.530 -2.546 1.00 72.35 N ATOM 1179 CA ARG A 76 -20.471 18.859 -2.577 1.00 1.22 C ATOM 1180 C ARG A 76 -19.160 18.883 -1.796 1.00 41.44 C ATOM 1181 O ARG A 76 -18.134 19.338 -2.301 1.00 10.32 O ATOM 1182 CB ARG A 76 -21.440 19.891 -1.999 1.00 21.12 C ATOM 1183 CG ARG A 76 -21.443 21.212 -2.752 1.00 65.20 C ATOM 1184 CD ARG A 76 -20.532 22.234 -2.088 1.00 43.31 C ATOM 1185 NE ARG A 76 -20.965 22.551 -0.730 1.00 23.53 N ATOM 1186 CZ ARG A 76 -20.577 23.637 -0.070 1.00 10.22 C ATOM 1187 NH1 ARG A 76 -19.751 24.504 -0.641 1.00 25.01 N ATOM 1188 NH2 ARG A 76 -21.014 23.858 1.163 1.00 50.22 N ATOM 0 H ARG A 76 -22.008 17.499 -2.147 1.00 72.35 H new ATOM 0 HA ARG A 76 -20.259 19.111 -3.616 1.00 1.22 H new ATOM 0 HB2 ARG A 76 -22.448 19.475 -2.007 1.00 21.12 H new ATOM 0 HB3 ARG A 76 -21.180 20.077 -0.957 1.00 21.12 H new ATOM 0 HG2 ARG A 76 -21.119 21.047 -3.779 1.00 65.20 H new ATOM 0 HG3 ARG A 76 -22.459 21.604 -2.797 1.00 65.20 H new ATOM 0 HD2 ARG A 76 -19.513 21.849 -2.063 1.00 43.31 H new ATOM 0 HD3 ARG A 76 -20.514 23.146 -2.685 1.00 43.31 H new ATOM 0 HE ARG A 76 -21.600 21.904 -0.263 1.00 23.53 H new ATOM 0 HH11 ARG A 76 -19.412 24.338 -1.589 1.00 25.01 H new ATOM 0 HH12 ARG A 76 -19.455 25.337 -0.132 1.00 25.01 H new ATOM 0 HH21 ARG A 76 -21.649 23.194 1.606 1.00 50.22 H new ATOM 0 HH22 ARG A 76 -20.715 24.692 1.668 1.00 50.22 H new ATOM 1202 N SER A 77 -19.203 18.391 -0.562 1.00 41.52 N ATOM 1203 CA SER A 77 -18.021 18.360 0.291 1.00 52.44 C ATOM 1204 C SER A 77 -16.848 17.703 -0.431 1.00 3.01 C ATOM 1205 O SER A 77 -15.733 18.224 -0.430 1.00 73.33 O ATOM 1206 CB SER A 77 -18.322 17.608 1.588 1.00 1.44 C ATOM 1207 OG SER A 77 -18.969 18.450 2.527 1.00 12.21 O ATOM 0 H SER A 77 -20.044 18.008 -0.131 1.00 41.52 H new ATOM 0 HA SER A 77 -17.748 19.388 0.531 1.00 52.44 H new ATOM 0 HB2 SER A 77 -18.952 16.745 1.374 1.00 1.44 H new ATOM 0 HB3 SER A 77 -17.394 17.227 2.015 1.00 1.44 H new ATOM 0 HG SER A 77 -19.152 17.946 3.347 1.00 12.21 H new ATOM 1213 N LEU A 78 -17.108 16.555 -1.046 1.00 22.20 N ATOM 1214 CA LEU A 78 -16.075 15.825 -1.772 1.00 42.44 C ATOM 1215 C LEU A 78 -15.466 16.691 -2.870 1.00 72.14 C ATOM 1216 O LEU A 78 -14.252 16.885 -2.919 1.00 74.24 O ATOM 1217 CB LEU A 78 -16.658 14.547 -2.380 1.00 3.04 C ATOM 1218 CG LEU A 78 -16.288 13.241 -1.677 1.00 13.34 C ATOM 1219 CD1 LEU A 78 -14.777 13.095 -1.581 1.00 21.24 C ATOM 1220 CD2 LEU A 78 -16.920 13.182 -0.293 1.00 53.13 C ATOM 0 H LEU A 78 -18.025 16.109 -1.056 1.00 22.20 H new ATOM 0 HA LEU A 78 -15.288 15.559 -1.066 1.00 42.44 H new ATOM 0 HB2 LEU A 78 -17.744 14.636 -2.390 1.00 3.04 H new ATOM 0 HB3 LEU A 78 -16.334 14.482 -3.419 1.00 3.04 H new ATOM 0 HG LEU A 78 -16.676 12.411 -2.268 1.00 13.34 H new ATOM 0 HD11 LEU A 78 -14.533 12.159 -1.078 1.00 21.24 H new ATOM 0 HD12 LEU A 78 -14.347 13.091 -2.583 1.00 21.24 H new ATOM 0 HD13 LEU A 78 -14.366 13.930 -1.014 1.00 21.24 H new ATOM 0 HD21 LEU A 78 -16.646 12.245 0.193 1.00 53.13 H new ATOM 0 HD22 LEU A 78 -16.563 14.020 0.306 1.00 53.13 H new ATOM 0 HD23 LEU A 78 -18.005 13.239 -0.386 1.00 53.13 H new ATOM 1232 N TYR A 79 -16.317 17.210 -3.747 1.00 43.14 N ATOM 1233 CA TYR A 79 -15.863 18.056 -4.845 1.00 33.23 C ATOM 1234 C TYR A 79 -14.950 19.168 -4.334 1.00 43.32 C ATOM 1235 O TYR A 79 -13.845 19.359 -4.839 1.00 0.52 O ATOM 1236 CB TYR A 79 -17.060 18.661 -5.580 1.00 63.12 C ATOM 1237 CG TYR A 79 -16.727 19.170 -6.964 1.00 50.31 C ATOM 1238 CD1 TYR A 79 -16.130 18.340 -7.905 1.00 75.11 C ATOM 1239 CD2 TYR A 79 -17.010 20.480 -7.331 1.00 41.42 C ATOM 1240 CE1 TYR A 79 -15.822 18.800 -9.171 1.00 65.32 C ATOM 1241 CE2 TYR A 79 -16.708 20.948 -8.595 1.00 50.13 C ATOM 1242 CZ TYR A 79 -16.114 20.105 -9.512 1.00 15.34 C ATOM 1243 OH TYR A 79 -15.811 20.568 -10.771 1.00 54.24 O ATOM 0 H TYR A 79 -17.326 17.060 -3.720 1.00 43.14 H new ATOM 0 HA TYR A 79 -15.296 17.435 -5.538 1.00 33.23 H new ATOM 0 HB2 TYR A 79 -17.846 17.909 -5.658 1.00 63.12 H new ATOM 0 HB3 TYR A 79 -17.462 19.482 -4.987 1.00 63.12 H new ATOM 0 HD1 TYR A 79 -15.903 17.317 -7.642 1.00 75.11 H new ATOM 0 HD2 TYR A 79 -17.474 21.143 -6.616 1.00 41.42 H new ATOM 0 HE1 TYR A 79 -15.356 18.142 -9.889 1.00 65.32 H new ATOM 0 HE2 TYR A 79 -16.936 21.969 -8.864 1.00 50.13 H new ATOM 0 HH TYR A 79 -16.082 21.507 -10.848 1.00 54.24 H new ATOM 1253 N ASN A 80 -15.424 19.897 -3.330 1.00 31.13 N ATOM 1254 CA ASN A 80 -14.652 20.990 -2.749 1.00 54.52 C ATOM 1255 C ASN A 80 -13.319 20.485 -2.206 1.00 15.23 C ATOM 1256 O ASN A 80 -12.251 20.922 -2.640 1.00 44.42 O ATOM 1257 CB ASN A 80 -15.447 21.667 -1.631 1.00 44.14 C ATOM 1258 CG ASN A 80 -16.197 22.893 -2.116 1.00 73.23 C ATOM 1259 OD1 ASN A 80 -16.448 23.048 -3.311 1.00 42.34 O ATOM 1260 ND2 ASN A 80 -16.556 23.772 -1.188 1.00 70.23 N ATOM 0 H ASN A 80 -16.338 19.751 -2.902 1.00 31.13 H new ATOM 0 HA ASN A 80 -14.452 21.718 -3.535 1.00 54.52 H new ATOM 0 HB2 ASN A 80 -16.156 20.954 -1.210 1.00 44.14 H new ATOM 0 HB3 ASN A 80 -14.768 21.954 -0.828 1.00 44.14 H new ATOM 0 HD21 ASN A 80 -17.061 24.617 -1.454 1.00 70.23 H new ATOM 0 HD22 ASN A 80 -16.327 23.602 -0.209 1.00 70.23 H new ATOM 1267 N THR A 81 -13.386 19.562 -1.251 1.00 42.32 N ATOM 1268 CA THR A 81 -12.186 18.998 -0.647 1.00 13.15 C ATOM 1269 C THR A 81 -11.209 18.515 -1.713 1.00 51.52 C ATOM 1270 O THR A 81 -10.070 18.979 -1.781 1.00 24.25 O ATOM 1271 CB THR A 81 -12.527 17.824 0.290 1.00 63.12 C ATOM 1272 OG1 THR A 81 -13.565 18.208 1.199 1.00 64.53 O ATOM 1273 CG2 THR A 81 -11.300 17.381 1.073 1.00 74.44 C ATOM 0 H THR A 81 -14.260 19.189 -0.879 1.00 42.32 H new ATOM 0 HA THR A 81 -11.721 19.794 -0.065 1.00 13.15 H new ATOM 0 HB THR A 81 -12.869 16.989 -0.321 1.00 63.12 H new ATOM 0 HG1 THR A 81 -14.437 18.099 0.765 1.00 64.53 H new ATOM 0 HG21 THR A 81 -11.566 16.551 1.728 1.00 74.44 H new ATOM 0 HG22 THR A 81 -10.522 17.061 0.380 1.00 74.44 H new ATOM 0 HG23 THR A 81 -10.932 18.213 1.673 1.00 74.44 H new ATOM 1281 N ILE A 82 -11.661 17.581 -2.544 1.00 34.11 N ATOM 1282 CA ILE A 82 -10.826 17.037 -3.608 1.00 33.24 C ATOM 1283 C ILE A 82 -10.170 18.152 -4.415 1.00 54.32 C ATOM 1284 O ILE A 82 -8.994 18.067 -4.767 1.00 13.41 O ATOM 1285 CB ILE A 82 -11.640 16.141 -4.559 1.00 43.33 C ATOM 1286 CG1 ILE A 82 -12.271 14.980 -3.786 1.00 74.31 C ATOM 1287 CG2 ILE A 82 -10.755 15.619 -5.681 1.00 3.52 C ATOM 1288 CD1 ILE A 82 -13.506 14.413 -4.450 1.00 21.12 C ATOM 0 H ILE A 82 -12.600 17.186 -2.501 1.00 34.11 H new ATOM 0 HA ILE A 82 -10.054 16.436 -3.128 1.00 33.24 H new ATOM 0 HB ILE A 82 -12.440 16.736 -5.000 1.00 43.33 H new ATOM 0 HG12 ILE A 82 -11.533 14.186 -3.672 1.00 74.31 H new ATOM 0 HG13 ILE A 82 -12.531 15.320 -2.784 1.00 74.31 H new ATOM 0 HG21 ILE A 82 -11.344 14.987 -6.345 1.00 3.52 H new ATOM 0 HG22 ILE A 82 -10.349 16.459 -6.245 1.00 3.52 H new ATOM 0 HG23 ILE A 82 -9.937 15.037 -5.258 1.00 3.52 H new ATOM 0 HD11 ILE A 82 -13.900 13.594 -3.848 1.00 21.12 H new ATOM 0 HD12 ILE A 82 -14.262 15.193 -4.540 1.00 21.12 H new ATOM 0 HD13 ILE A 82 -13.248 14.042 -5.442 1.00 21.12 H new ATOM 1300 N ALA A 83 -10.937 19.197 -4.704 1.00 30.44 N ATOM 1301 CA ALA A 83 -10.429 20.331 -5.467 1.00 31.51 C ATOM 1302 C ALA A 83 -9.198 20.933 -4.800 1.00 34.50 C ATOM 1303 O ALA A 83 -8.208 21.244 -5.464 1.00 21.41 O ATOM 1304 CB ALA A 83 -11.513 21.387 -5.629 1.00 44.52 C ATOM 0 H ALA A 83 -11.913 19.283 -4.421 1.00 30.44 H new ATOM 0 HA ALA A 83 -10.137 19.972 -6.454 1.00 31.51 H new ATOM 0 HB1 ALA A 83 -11.120 22.228 -6.201 1.00 44.52 H new ATOM 0 HB2 ALA A 83 -12.364 20.957 -6.156 1.00 44.52 H new ATOM 0 HB3 ALA A 83 -11.832 21.734 -4.646 1.00 44.52 H new ATOM 1310 N VAL A 84 -9.264 21.097 -3.483 1.00 10.05 N ATOM 1311 CA VAL A 84 -8.154 21.662 -2.725 1.00 34.23 C ATOM 1312 C VAL A 84 -6.946 20.731 -2.743 1.00 70.40 C ATOM 1313 O VAL A 84 -5.818 21.164 -2.985 1.00 71.42 O ATOM 1314 CB VAL A 84 -8.553 21.939 -1.263 1.00 50.12 C ATOM 1315 CG1 VAL A 84 -7.456 22.709 -0.545 1.00 72.23 C ATOM 1316 CG2 VAL A 84 -9.871 22.695 -1.207 1.00 25.30 C ATOM 0 H VAL A 84 -10.075 20.846 -2.918 1.00 10.05 H new ATOM 0 HA VAL A 84 -7.891 22.604 -3.206 1.00 34.23 H new ATOM 0 HB VAL A 84 -8.685 20.985 -0.753 1.00 50.12 H new ATOM 0 HG11 VAL A 84 -7.757 22.895 0.486 1.00 72.23 H new ATOM 0 HG12 VAL A 84 -6.536 22.125 -0.555 1.00 72.23 H new ATOM 0 HG13 VAL A 84 -7.288 23.660 -1.051 1.00 72.23 H new ATOM 0 HG21 VAL A 84 -10.139 22.883 -0.167 1.00 25.30 H new ATOM 0 HG22 VAL A 84 -9.768 23.644 -1.733 1.00 25.30 H new ATOM 0 HG23 VAL A 84 -10.652 22.100 -1.681 1.00 25.30 H new ATOM 1326 N LEU A 85 -7.189 19.451 -2.484 1.00 61.11 N ATOM 1327 CA LEU A 85 -6.121 18.457 -2.471 1.00 64.34 C ATOM 1328 C LEU A 85 -5.417 18.396 -3.822 1.00 70.33 C ATOM 1329 O LEU A 85 -4.207 18.605 -3.913 1.00 2.11 O ATOM 1330 CB LEU A 85 -6.684 17.081 -2.114 1.00 43.11 C ATOM 1331 CG LEU A 85 -5.785 16.191 -1.256 1.00 1.54 C ATOM 1332 CD1 LEU A 85 -6.539 15.693 -0.032 1.00 2.31 C ATOM 1333 CD2 LEU A 85 -5.259 15.019 -2.072 1.00 0.14 C ATOM 0 H LEU A 85 -8.116 19.077 -2.280 1.00 61.11 H new ATOM 0 HA LEU A 85 -5.392 18.752 -1.716 1.00 64.34 H new ATOM 0 HB2 LEU A 85 -7.629 17.222 -1.589 1.00 43.11 H new ATOM 0 HB3 LEU A 85 -6.909 16.551 -3.040 1.00 43.11 H new ATOM 0 HG LEU A 85 -4.935 16.784 -0.919 1.00 1.54 H new ATOM 0 HD11 LEU A 85 -5.883 15.061 0.567 1.00 2.31 H new ATOM 0 HD12 LEU A 85 -6.867 16.544 0.565 1.00 2.31 H new ATOM 0 HD13 LEU A 85 -7.408 15.116 -0.350 1.00 2.31 H new ATOM 0 HD21 LEU A 85 -4.621 14.396 -1.445 1.00 0.14 H new ATOM 0 HD22 LEU A 85 -6.097 14.426 -2.439 1.00 0.14 H new ATOM 0 HD23 LEU A 85 -4.682 15.394 -2.917 1.00 0.14 H new ATOM 1345 N TYR A 86 -6.183 18.112 -4.871 1.00 34.13 N ATOM 1346 CA TYR A 86 -5.632 18.024 -6.217 1.00 73.00 C ATOM 1347 C TYR A 86 -4.736 19.222 -6.520 1.00 2.23 C ATOM 1348 O TYR A 86 -3.627 19.068 -7.031 1.00 73.24 O ATOM 1349 CB TYR A 86 -6.759 17.942 -7.247 1.00 64.14 C ATOM 1350 CG TYR A 86 -6.302 18.192 -8.667 1.00 40.44 C ATOM 1351 CD1 TYR A 86 -6.271 19.477 -9.192 1.00 63.13 C ATOM 1352 CD2 TYR A 86 -5.901 17.140 -9.483 1.00 64.10 C ATOM 1353 CE1 TYR A 86 -5.854 19.710 -10.489 1.00 0.32 C ATOM 1354 CE2 TYR A 86 -5.481 17.364 -10.780 1.00 42.51 C ATOM 1355 CZ TYR A 86 -5.460 18.649 -11.279 1.00 4.21 C ATOM 1356 OH TYR A 86 -5.044 18.875 -12.571 1.00 32.40 O ATOM 0 H TYR A 86 -7.187 17.939 -4.814 1.00 34.13 H new ATOM 0 HA TYR A 86 -5.028 17.119 -6.276 1.00 73.00 H new ATOM 0 HB2 TYR A 86 -7.220 16.956 -7.191 1.00 64.14 H new ATOM 0 HB3 TYR A 86 -7.529 18.669 -6.989 1.00 64.14 H new ATOM 0 HD1 TYR A 86 -6.578 20.309 -8.576 1.00 63.13 H new ATOM 0 HD2 TYR A 86 -5.918 16.132 -9.097 1.00 64.10 H new ATOM 0 HE1 TYR A 86 -5.837 20.716 -10.882 1.00 0.32 H new ATOM 0 HE2 TYR A 86 -5.171 16.536 -11.400 1.00 42.51 H new ATOM 0 HH TYR A 86 -4.800 18.023 -12.990 1.00 32.40 H new ATOM 1366 N CYS A 87 -5.226 20.414 -6.199 1.00 4.35 N ATOM 1367 CA CYS A 87 -4.473 21.640 -6.435 1.00 53.24 C ATOM 1368 C CYS A 87 -3.118 21.588 -5.736 1.00 75.11 C ATOM 1369 O CYS A 87 -2.092 21.935 -6.321 1.00 71.22 O ATOM 1370 CB CYS A 87 -5.265 22.853 -5.947 1.00 42.41 C ATOM 1371 SG CYS A 87 -6.278 23.635 -7.225 1.00 24.12 S ATOM 0 H CYS A 87 -6.142 20.557 -5.774 1.00 4.35 H new ATOM 0 HA CYS A 87 -4.306 21.733 -7.508 1.00 53.24 H new ATOM 0 HB2 CYS A 87 -5.911 22.545 -5.124 1.00 42.41 H new ATOM 0 HB3 CYS A 87 -4.569 23.591 -5.547 1.00 42.41 H new ATOM 0 HG CYS A 87 -6.912 24.650 -6.716 1.00 24.12 H new ATOM 1377 N VAL A 88 -3.122 21.153 -4.480 1.00 60.43 N ATOM 1378 CA VAL A 88 -1.894 21.056 -3.701 1.00 72.23 C ATOM 1379 C VAL A 88 -0.848 20.216 -4.425 1.00 15.22 C ATOM 1380 O VAL A 88 0.323 20.593 -4.501 1.00 42.34 O ATOM 1381 CB VAL A 88 -2.157 20.443 -2.313 1.00 34.44 C ATOM 1382 CG1 VAL A 88 -0.879 20.423 -1.488 1.00 12.34 C ATOM 1383 CG2 VAL A 88 -3.254 21.211 -1.591 1.00 44.14 C ATOM 0 H VAL A 88 -3.962 20.862 -3.980 1.00 60.43 H new ATOM 0 HA VAL A 88 -1.518 22.071 -3.577 1.00 72.23 H new ATOM 0 HB VAL A 88 -2.492 19.414 -2.447 1.00 34.44 H new ATOM 0 HG11 VAL A 88 -1.084 19.987 -0.510 1.00 12.34 H new ATOM 0 HG12 VAL A 88 -0.124 19.827 -2.001 1.00 12.34 H new ATOM 0 HG13 VAL A 88 -0.512 21.441 -1.361 1.00 12.34 H new ATOM 0 HG21 VAL A 88 -3.427 20.764 -0.612 1.00 44.14 H new ATOM 0 HG22 VAL A 88 -2.949 22.250 -1.467 1.00 44.14 H new ATOM 0 HG23 VAL A 88 -4.173 21.169 -2.176 1.00 44.14 H new ATOM 1393 N HIS A 89 -1.277 19.076 -4.957 1.00 22.23 N ATOM 1394 CA HIS A 89 -0.378 18.181 -5.677 1.00 62.33 C ATOM 1395 C HIS A 89 0.246 18.889 -6.876 1.00 43.11 C ATOM 1396 O HIS A 89 1.412 18.610 -7.153 1.00 41.11 O ATOM 1397 CB HIS A 89 -1.130 16.933 -6.142 1.00 10.01 C ATOM 1398 CG HIS A 89 -1.321 15.913 -5.062 1.00 41.23 C ATOM 1399 ND1 HIS A 89 -0.360 15.630 -4.116 1.00 12.12 N ATOM 1400 CD2 HIS A 89 -2.372 15.106 -4.782 1.00 60.11 C ATOM 1401 CE1 HIS A 89 -0.811 14.693 -3.301 1.00 12.13 C ATOM 1402 NE2 HIS A 89 -2.030 14.359 -3.684 1.00 22.13 N ATOM 0 H HIS A 89 -2.242 18.750 -4.903 1.00 22.23 H new ATOM 0 HA HIS A 89 0.420 17.882 -4.997 1.00 62.33 H new ATOM 0 HB2 HIS A 89 -2.106 17.229 -6.528 1.00 10.01 H new ATOM 0 HB3 HIS A 89 -0.585 16.477 -6.969 1.00 10.01 H new ATOM 0 HD1 HIS A 89 0.556 16.074 -4.055 1.00 12.12 H new ATOM 0 HD2 HIS A 89 -3.306 15.059 -5.323 1.00 60.11 H new ATOM 0 HE1 HIS A 89 -0.274 14.272 -2.464 1.00 12.13 H new ATOM 1411 N GLN A 90 -0.473 19.766 -7.570 1.00 44.01 N ATOM 1412 CA GLN A 90 0.080 20.466 -8.723 1.00 12.21 C ATOM 1413 C GLN A 90 0.766 21.759 -8.297 1.00 13.00 C ATOM 1414 O GLN A 90 0.796 22.734 -9.048 1.00 32.30 O ATOM 1415 CB GLN A 90 -1.022 20.770 -9.739 1.00 62.13 C ATOM 1416 CG GLN A 90 -1.371 19.588 -10.629 1.00 5.42 C ATOM 1417 CD GLN A 90 -1.106 19.863 -12.096 1.00 64.34 C ATOM 1418 OE1 GLN A 90 -0.191 19.293 -12.692 1.00 24.14 O ATOM 1419 NE2 GLN A 90 -1.908 20.742 -12.689 1.00 13.25 N ATOM 0 H GLN A 90 -1.440 20.008 -7.353 1.00 44.01 H new ATOM 0 HA GLN A 90 0.823 19.818 -9.187 1.00 12.21 H new ATOM 0 HB2 GLN A 90 -1.918 21.090 -9.206 1.00 62.13 H new ATOM 0 HB3 GLN A 90 -0.708 21.605 -10.365 1.00 62.13 H new ATOM 0 HG2 GLN A 90 -0.792 18.719 -10.316 1.00 5.42 H new ATOM 0 HG3 GLN A 90 -2.423 19.335 -10.495 1.00 5.42 H new ATOM 0 HE21 GLN A 90 -2.654 21.191 -12.158 1.00 13.25 H new ATOM 0 HE22 GLN A 90 -1.777 20.967 -13.675 1.00 13.25 H new ATOM 1428 N ARG A 91 1.316 21.761 -7.086 1.00 61.02 N ATOM 1429 CA ARG A 91 2.000 22.936 -6.560 1.00 33.10 C ATOM 1430 C ARG A 91 1.101 24.166 -6.630 1.00 3.12 C ATOM 1431 O ARG A 91 1.576 25.283 -6.840 1.00 4.34 O ATOM 1432 CB ARG A 91 3.293 23.191 -7.338 1.00 1.23 C ATOM 1433 CG ARG A 91 4.210 21.981 -7.407 1.00 52.11 C ATOM 1434 CD ARG A 91 5.640 22.384 -7.734 1.00 1.01 C ATOM 1435 NE ARG A 91 5.720 23.166 -8.965 1.00 62.02 N ATOM 1436 CZ ARG A 91 6.811 23.818 -9.351 1.00 60.31 C ATOM 1437 NH1 ARG A 91 7.908 23.782 -8.607 1.00 64.40 N ATOM 1438 NH2 ARG A 91 6.807 24.508 -10.485 1.00 3.02 N ATOM 0 H ARG A 91 1.301 20.962 -6.452 1.00 61.02 H new ATOM 0 HA ARG A 91 2.244 22.745 -5.515 1.00 33.10 H new ATOM 0 HB2 ARG A 91 3.042 23.504 -8.351 1.00 1.23 H new ATOM 0 HB3 ARG A 91 3.830 24.018 -6.873 1.00 1.23 H new ATOM 0 HG2 ARG A 91 4.189 21.452 -6.454 1.00 52.11 H new ATOM 0 HG3 ARG A 91 3.844 21.288 -8.165 1.00 52.11 H new ATOM 0 HD2 ARG A 91 6.051 22.965 -6.908 1.00 1.01 H new ATOM 0 HD3 ARG A 91 6.255 21.490 -7.832 1.00 1.01 H new ATOM 0 HE ARG A 91 4.893 23.214 -9.561 1.00 62.02 H new ATOM 0 HH11 ARG A 91 7.916 23.252 -7.735 1.00 64.40 H new ATOM 0 HH12 ARG A 91 8.744 24.284 -8.906 1.00 64.40 H new ATOM 0 HH21 ARG A 91 5.966 24.538 -11.061 1.00 3.02 H new ATOM 0 HH22 ARG A 91 7.645 25.008 -10.780 1.00 3.02 H new ATOM 1452 N ILE A 92 -0.199 23.954 -6.455 1.00 4.53 N ATOM 1453 CA ILE A 92 -1.164 25.044 -6.497 1.00 64.14 C ATOM 1454 C ILE A 92 -1.656 25.398 -5.098 1.00 33.43 C ATOM 1455 O ILE A 92 -2.171 24.545 -4.375 1.00 21.31 O ATOM 1456 CB ILE A 92 -2.375 24.691 -7.381 1.00 21.02 C ATOM 1457 CG1 ILE A 92 -1.909 24.061 -8.695 1.00 51.31 C ATOM 1458 CG2 ILE A 92 -3.214 25.931 -7.650 1.00 3.24 C ATOM 1459 CD1 ILE A 92 -3.041 23.723 -9.638 1.00 64.31 C ATOM 0 H ILE A 92 -0.608 23.036 -6.283 1.00 4.53 H new ATOM 0 HA ILE A 92 -0.649 25.904 -6.927 1.00 64.14 H new ATOM 0 HB ILE A 92 -2.993 23.966 -6.852 1.00 21.02 H new ATOM 0 HG12 ILE A 92 -1.224 24.746 -9.194 1.00 51.31 H new ATOM 0 HG13 ILE A 92 -1.348 23.153 -8.474 1.00 51.31 H new ATOM 0 HG21 ILE A 92 -4.066 25.665 -8.276 1.00 3.24 H new ATOM 0 HG22 ILE A 92 -3.572 26.340 -6.705 1.00 3.24 H new ATOM 0 HG23 ILE A 92 -2.607 26.677 -8.162 1.00 3.24 H new ATOM 0 HD11 ILE A 92 -2.636 23.280 -10.548 1.00 64.31 H new ATOM 0 HD12 ILE A 92 -3.715 23.014 -9.158 1.00 64.31 H new ATOM 0 HD13 ILE A 92 -3.589 24.631 -9.889 1.00 64.31 H new ATOM 1471 N ASP A 93 -1.496 26.663 -4.723 1.00 71.03 N ATOM 1472 CA ASP A 93 -1.927 27.132 -3.411 1.00 35.34 C ATOM 1473 C ASP A 93 -3.123 28.069 -3.535 1.00 2.13 C ATOM 1474 O ASP A 93 -3.070 29.070 -4.251 1.00 2.34 O ATOM 1475 CB ASP A 93 -0.776 27.844 -2.698 1.00 73.33 C ATOM 1476 CG ASP A 93 -0.054 26.941 -1.717 1.00 73.33 C ATOM 1477 OD1 ASP A 93 0.763 26.111 -2.166 1.00 50.13 O ATOM 1478 OD2 ASP A 93 -0.306 27.066 -0.501 1.00 35.10 O ATOM 0 H ASP A 93 -1.071 27.382 -5.309 1.00 71.03 H new ATOM 0 HA ASP A 93 -2.228 26.265 -2.823 1.00 35.34 H new ATOM 0 HB2 ASP A 93 -0.066 28.212 -3.439 1.00 73.33 H new ATOM 0 HB3 ASP A 93 -1.164 28.714 -2.168 1.00 73.33 H new ATOM 1483 N VAL A 94 -4.203 27.738 -2.833 1.00 74.11 N ATOM 1484 CA VAL A 94 -5.413 28.550 -2.864 1.00 72.25 C ATOM 1485 C VAL A 94 -5.649 29.238 -1.523 1.00 51.52 C ATOM 1486 O VAL A 94 -5.294 28.707 -0.471 1.00 20.30 O ATOM 1487 CB VAL A 94 -6.649 27.702 -3.217 1.00 44.01 C ATOM 1488 CG1 VAL A 94 -6.482 27.059 -4.586 1.00 44.14 C ATOM 1489 CG2 VAL A 94 -6.893 26.647 -2.150 1.00 3.44 C ATOM 0 H VAL A 94 -4.264 26.913 -2.236 1.00 74.11 H new ATOM 0 HA VAL A 94 -5.267 29.306 -3.636 1.00 72.25 H new ATOM 0 HB VAL A 94 -7.519 28.357 -3.253 1.00 44.01 H new ATOM 0 HG11 VAL A 94 -7.365 26.464 -4.819 1.00 44.14 H new ATOM 0 HG12 VAL A 94 -6.359 27.836 -5.340 1.00 44.14 H new ATOM 0 HG13 VAL A 94 -5.602 26.416 -4.581 1.00 44.14 H new ATOM 0 HG21 VAL A 94 -7.770 26.057 -2.416 1.00 3.44 H new ATOM 0 HG22 VAL A 94 -6.024 25.993 -2.079 1.00 3.44 H new ATOM 0 HG23 VAL A 94 -7.060 27.133 -1.189 1.00 3.44 H new ATOM 1499 N LYS A 95 -6.250 30.421 -1.569 1.00 50.23 N ATOM 1500 CA LYS A 95 -6.536 31.182 -0.359 1.00 54.02 C ATOM 1501 C LYS A 95 -7.604 30.488 0.481 1.00 72.21 C ATOM 1502 O LYS A 95 -7.705 30.718 1.686 1.00 42.32 O ATOM 1503 CB LYS A 95 -6.994 32.598 -0.718 1.00 40.43 C ATOM 1504 CG LYS A 95 -6.343 33.680 0.125 1.00 62.25 C ATOM 1505 CD LYS A 95 -6.459 35.045 -0.534 1.00 11.13 C ATOM 1506 CE LYS A 95 -5.530 35.167 -1.731 1.00 14.02 C ATOM 1507 NZ LYS A 95 -4.612 36.334 -1.604 1.00 25.13 N ATOM 0 H LYS A 95 -6.549 30.874 -2.432 1.00 50.23 H new ATOM 0 HA LYS A 95 -5.619 31.241 0.228 1.00 54.02 H new ATOM 0 HB2 LYS A 95 -6.774 32.786 -1.769 1.00 40.43 H new ATOM 0 HB3 LYS A 95 -8.076 32.661 -0.603 1.00 40.43 H new ATOM 0 HG2 LYS A 95 -6.813 33.708 1.108 1.00 62.25 H new ATOM 0 HG3 LYS A 95 -5.292 33.438 0.281 1.00 62.25 H new ATOM 0 HD2 LYS A 95 -7.488 35.210 -0.853 1.00 11.13 H new ATOM 0 HD3 LYS A 95 -6.222 35.822 0.193 1.00 11.13 H new ATOM 0 HE2 LYS A 95 -4.944 34.253 -1.831 1.00 14.02 H new ATOM 0 HE3 LYS A 95 -6.121 35.267 -2.641 1.00 14.02 H new ATOM 0 HZ1 LYS A 95 -3.995 36.383 -2.440 1.00 25.13 H new ATOM 0 HZ2 LYS A 95 -5.170 37.209 -1.534 1.00 25.13 H new ATOM 0 HZ3 LYS A 95 -4.029 36.226 -0.749 1.00 25.13 H new ATOM 1521 N ASP A 96 -8.396 29.639 -0.163 1.00 45.35 N ATOM 1522 CA ASP A 96 -9.455 28.909 0.525 1.00 34.42 C ATOM 1523 C ASP A 96 -10.090 27.873 -0.397 1.00 74.34 C ATOM 1524 O ASP A 96 -9.787 27.819 -1.589 1.00 53.14 O ATOM 1525 CB ASP A 96 -10.523 29.878 1.036 1.00 53.41 C ATOM 1526 CG ASP A 96 -10.864 30.950 0.020 1.00 24.42 C ATOM 1527 OD1 ASP A 96 -11.283 30.594 -1.102 1.00 70.31 O ATOM 1528 OD2 ASP A 96 -10.713 32.146 0.346 1.00 30.44 O ATOM 0 H ASP A 96 -8.325 29.439 -1.161 1.00 45.35 H new ATOM 0 HA ASP A 96 -9.011 28.389 1.374 1.00 34.42 H new ATOM 0 HB2 ASP A 96 -11.425 29.320 1.288 1.00 53.41 H new ATOM 0 HB3 ASP A 96 -10.173 30.350 1.954 1.00 53.41 H new ATOM 1533 N THR A 97 -10.970 27.051 0.163 1.00 4.31 N ATOM 1534 CA THR A 97 -11.646 26.014 -0.608 1.00 62.44 C ATOM 1535 C THR A 97 -12.431 26.616 -1.768 1.00 54.53 C ATOM 1536 O THR A 97 -12.831 25.909 -2.693 1.00 43.14 O ATOM 1537 CB THR A 97 -12.605 25.192 0.274 1.00 24.45 C ATOM 1538 OG1 THR A 97 -11.898 24.652 1.396 1.00 73.03 O ATOM 1539 CG2 THR A 97 -13.240 24.063 -0.523 1.00 60.20 C ATOM 0 H THR A 97 -11.232 27.082 1.148 1.00 4.31 H new ATOM 0 HA THR A 97 -10.871 25.355 -1.000 1.00 62.44 H new ATOM 0 HB THR A 97 -13.395 25.854 0.628 1.00 24.45 H new ATOM 0 HG1 THR A 97 -11.427 25.373 1.864 1.00 73.03 H new ATOM 0 HG21 THR A 97 -13.913 23.497 0.121 1.00 60.20 H new ATOM 0 HG22 THR A 97 -13.802 24.479 -1.359 1.00 60.20 H new ATOM 0 HG23 THR A 97 -12.460 23.403 -0.903 1.00 60.20 H new ATOM 1547 N LYS A 98 -12.649 27.925 -1.713 1.00 75.32 N ATOM 1548 CA LYS A 98 -13.384 28.623 -2.761 1.00 25.50 C ATOM 1549 C LYS A 98 -12.515 28.817 -3.999 1.00 61.24 C ATOM 1550 O LYS A 98 -12.921 28.481 -5.111 1.00 51.42 O ATOM 1551 CB LYS A 98 -13.873 29.982 -2.251 1.00 1.44 C ATOM 1552 CG LYS A 98 -15.369 30.189 -2.411 1.00 22.11 C ATOM 1553 CD LYS A 98 -15.727 30.585 -3.833 1.00 63.34 C ATOM 1554 CE LYS A 98 -16.931 31.514 -3.867 1.00 25.21 C ATOM 1555 NZ LYS A 98 -18.196 30.773 -4.128 1.00 62.32 N ATOM 0 H LYS A 98 -12.327 28.525 -0.953 1.00 75.32 H new ATOM 0 HA LYS A 98 -14.244 28.012 -3.035 1.00 25.50 H new ATOM 0 HB2 LYS A 98 -13.612 30.081 -1.197 1.00 1.44 H new ATOM 0 HB3 LYS A 98 -13.346 30.772 -2.786 1.00 1.44 H new ATOM 0 HG2 LYS A 98 -15.895 29.272 -2.144 1.00 22.11 H new ATOM 0 HG3 LYS A 98 -15.706 30.962 -1.721 1.00 22.11 H new ATOM 0 HD2 LYS A 98 -14.874 31.076 -4.301 1.00 63.34 H new ATOM 0 HD3 LYS A 98 -15.940 29.690 -4.418 1.00 63.34 H new ATOM 0 HE2 LYS A 98 -17.009 32.042 -2.917 1.00 25.21 H new ATOM 0 HE3 LYS A 98 -16.786 32.268 -4.640 1.00 25.21 H new ATOM 0 HZ1 LYS A 98 -18.993 31.441 -4.144 1.00 62.32 H new ATOM 0 HZ2 LYS A 98 -18.132 30.289 -5.046 1.00 62.32 H new ATOM 0 HZ3 LYS A 98 -18.348 30.070 -3.377 1.00 62.32 H new ATOM 1569 N GLU A 99 -11.319 29.360 -3.798 1.00 54.20 N ATOM 1570 CA GLU A 99 -10.393 29.597 -4.900 1.00 72.04 C ATOM 1571 C GLU A 99 -9.986 28.283 -5.560 1.00 73.03 C ATOM 1572 O GLU A 99 -9.502 28.268 -6.692 1.00 31.11 O ATOM 1573 CB GLU A 99 -9.151 30.337 -4.402 1.00 14.11 C ATOM 1574 CG GLU A 99 -9.132 31.812 -4.768 1.00 4.05 C ATOM 1575 CD GLU A 99 -7.827 32.489 -4.400 1.00 14.44 C ATOM 1576 OE1 GLU A 99 -6.766 31.842 -4.533 1.00 13.22 O ATOM 1577 OE2 GLU A 99 -7.865 33.663 -3.977 1.00 51.24 O ATOM 0 H GLU A 99 -10.968 29.644 -2.883 1.00 54.20 H new ATOM 0 HA GLU A 99 -10.901 30.214 -5.641 1.00 72.04 H new ATOM 0 HB2 GLU A 99 -9.091 30.240 -3.318 1.00 14.11 H new ATOM 0 HB3 GLU A 99 -8.263 29.858 -4.815 1.00 14.11 H new ATOM 0 HG2 GLU A 99 -9.302 31.919 -5.839 1.00 4.05 H new ATOM 0 HG3 GLU A 99 -9.954 32.318 -4.263 1.00 4.05 H new ATOM 1584 N ALA A 100 -10.184 27.181 -4.844 1.00 21.11 N ATOM 1585 CA ALA A 100 -9.839 25.862 -5.359 1.00 44.14 C ATOM 1586 C ALA A 100 -10.811 25.427 -6.450 1.00 62.04 C ATOM 1587 O ALA A 100 -10.407 24.862 -7.468 1.00 31.13 O ATOM 1588 CB ALA A 100 -9.820 24.843 -4.230 1.00 42.34 C ATOM 0 H ALA A 100 -10.582 27.176 -3.905 1.00 21.11 H new ATOM 0 HA ALA A 100 -8.843 25.920 -5.798 1.00 44.14 H new ATOM 0 HB1 ALA A 100 -9.561 23.862 -4.629 1.00 42.34 H new ATOM 0 HB2 ALA A 100 -9.081 25.139 -3.485 1.00 42.34 H new ATOM 0 HB3 ALA A 100 -10.805 24.797 -3.765 1.00 42.34 H new ATOM 1594 N LEU A 101 -12.094 25.694 -6.234 1.00 1.03 N ATOM 1595 CA LEU A 101 -13.126 25.329 -7.199 1.00 21.01 C ATOM 1596 C LEU A 101 -12.978 26.138 -8.484 1.00 4.35 C ATOM 1597 O LEU A 101 -13.286 25.652 -9.573 1.00 54.31 O ATOM 1598 CB LEU A 101 -14.515 25.552 -6.599 1.00 43.23 C ATOM 1599 CG LEU A 101 -15.545 24.454 -6.866 1.00 1.02 C ATOM 1600 CD1 LEU A 101 -15.733 24.250 -8.361 1.00 72.34 C ATOM 1601 CD2 LEU A 101 -15.125 23.154 -6.197 1.00 41.22 C ATOM 0 H LEU A 101 -12.445 26.162 -5.399 1.00 1.03 H new ATOM 0 HA LEU A 101 -13.007 24.273 -7.440 1.00 21.01 H new ATOM 0 HB2 LEU A 101 -14.409 25.668 -5.520 1.00 43.23 H new ATOM 0 HB3 LEU A 101 -14.908 26.493 -6.984 1.00 43.23 H new ATOM 0 HG LEU A 101 -16.499 24.766 -6.440 1.00 1.02 H new ATOM 0 HD11 LEU A 101 -16.470 23.465 -8.531 1.00 72.34 H new ATOM 0 HD12 LEU A 101 -16.081 25.178 -8.814 1.00 72.34 H new ATOM 0 HD13 LEU A 101 -14.783 23.960 -8.811 1.00 72.34 H new ATOM 0 HD21 LEU A 101 -15.870 22.384 -6.398 1.00 41.22 H new ATOM 0 HD22 LEU A 101 -14.160 22.837 -6.592 1.00 41.22 H new ATOM 0 HD23 LEU A 101 -15.044 23.308 -5.121 1.00 41.22 H new ATOM 1613 N ASP A 102 -12.505 27.371 -8.349 1.00 62.53 N ATOM 1614 CA ASP A 102 -12.313 28.246 -9.500 1.00 45.03 C ATOM 1615 C ASP A 102 -11.282 27.663 -10.461 1.00 21.34 C ATOM 1616 O ASP A 102 -11.393 27.816 -11.677 1.00 64.32 O ATOM 1617 CB ASP A 102 -11.874 29.638 -9.043 1.00 55.40 C ATOM 1618 CG ASP A 102 -12.937 30.342 -8.223 1.00 53.51 C ATOM 1619 OD1 ASP A 102 -14.119 29.957 -8.330 1.00 44.34 O ATOM 1620 OD2 ASP A 102 -12.586 31.278 -7.474 1.00 40.02 O ATOM 0 H ASP A 102 -12.247 27.788 -7.454 1.00 62.53 H new ATOM 0 HA ASP A 102 -13.265 28.328 -10.024 1.00 45.03 H new ATOM 0 HB2 ASP A 102 -10.962 29.552 -8.452 1.00 55.40 H new ATOM 0 HB3 ASP A 102 -11.633 30.244 -9.916 1.00 55.40 H new ATOM 1625 N LYS A 103 -10.277 26.994 -9.907 1.00 2.32 N ATOM 1626 CA LYS A 103 -9.225 26.386 -10.713 1.00 35.21 C ATOM 1627 C LYS A 103 -9.751 25.169 -11.466 1.00 73.13 C ATOM 1628 O LYS A 103 -9.223 24.802 -12.516 1.00 50.25 O ATOM 1629 CB LYS A 103 -8.045 25.981 -9.827 1.00 1.44 C ATOM 1630 CG LYS A 103 -6.830 26.878 -9.983 1.00 31.14 C ATOM 1631 CD LYS A 103 -6.634 27.768 -8.767 1.00 13.52 C ATOM 1632 CE LYS A 103 -7.519 29.003 -8.830 1.00 42.22 C ATOM 1633 NZ LYS A 103 -6.963 30.038 -9.745 1.00 50.25 N ATOM 0 H LYS A 103 -10.169 26.859 -8.902 1.00 2.32 H new ATOM 0 HA LYS A 103 -8.888 27.123 -11.441 1.00 35.21 H new ATOM 0 HB2 LYS A 103 -8.363 25.993 -8.785 1.00 1.44 H new ATOM 0 HB3 LYS A 103 -7.761 24.955 -10.062 1.00 1.44 H new ATOM 0 HG2 LYS A 103 -5.941 26.265 -10.134 1.00 31.14 H new ATOM 0 HG3 LYS A 103 -6.945 27.497 -10.873 1.00 31.14 H new ATOM 0 HD2 LYS A 103 -6.859 27.204 -7.862 1.00 13.52 H new ATOM 0 HD3 LYS A 103 -5.589 28.071 -8.702 1.00 13.52 H new ATOM 0 HE2 LYS A 103 -8.516 28.719 -9.167 1.00 42.22 H new ATOM 0 HE3 LYS A 103 -7.628 29.423 -7.830 1.00 42.22 H new ATOM 0 HZ1 LYS A 103 -7.586 30.870 -9.747 1.00 50.25 H new ATOM 0 HZ2 LYS A 103 -6.015 30.316 -9.420 1.00 50.25 H new ATOM 0 HZ3 LYS A 103 -6.899 29.651 -10.708 1.00 50.25 H new