USER MOD reduce.3.24.130724 H: found=0, std=0, add=816, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 816 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 54 SER OG : rot 142:sc= 0.133 USER MOD Set 1.2: A 90 GLN : amide:sc= -0.188 K(o=-0.055,f=-1) USER MOD Set 2.1: A 29 TYR OH : rot 165:sc= 1.21 USER MOD Set 2.2: A 97 THR OG1 : rot 35:sc= -0.235 USER MOD Single : A 9 SER OG : rot 180:sc= -0.144 USER MOD Single : A 15 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0263) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -1.29 X(o=-1.3,f=-1.3) 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= -1.91 K(o=-1.9,f=-7.5!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 THR OG1 : rot -21:sc= 1.04 USER MOD Single : A 57 CYS SG : rot 180:sc= -0.761 USER MOD Single : A 59 GLN : amide:sc= -0.109 K(o=-0.11,f=-0.72) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 GLN : amide:sc= -0.135 X(o=-0.14,f=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc=0.000128 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= -0.685 USER MOD Single : A 80 ASN : amide:sc= -3.7! C(o=-3.7!,f=-4.4!) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 CYS SG : rot -150:sc= -1.75! USER MOD Single : A 89 HIS : no HD1:sc= -0.0175 K(o=0.41,f=-4!) 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+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 63 N VAL A 7 4.754 -5.018 -13.547 1.00 32.44 N ATOM 64 CA VAL A 7 3.551 -4.927 -14.365 1.00 2.21 C ATOM 65 C VAL A 7 2.505 -4.036 -13.705 1.00 72.24 C ATOM 66 O VAL A 7 2.205 -2.945 -14.192 1.00 71.23 O ATOM 67 CB VAL A 7 2.939 -6.317 -14.619 1.00 5.10 C ATOM 68 CG1 VAL A 7 1.687 -6.201 -15.475 1.00 12.14 C ATOM 69 CG2 VAL A 7 3.960 -7.237 -15.271 1.00 15.42 C ATOM 0 HA VAL A 7 3.848 -4.490 -15.318 1.00 2.21 H new ATOM 0 HB VAL A 7 2.654 -6.751 -13.661 1.00 5.10 H new ATOM 0 HG11 VAL A 7 1.269 -7.193 -15.644 1.00 12.14 H new ATOM 0 HG12 VAL A 7 0.952 -5.580 -14.963 1.00 12.14 H new ATOM 0 HG13 VAL A 7 1.942 -5.747 -16.433 1.00 12.14 H new ATOM 0 HG21 VAL A 7 3.511 -8.215 -15.443 1.00 15.42 H new ATOM 0 HG22 VAL A 7 4.278 -6.811 -16.223 1.00 15.42 H new ATOM 0 HG23 VAL A 7 4.824 -7.345 -14.615 1.00 15.42 H new ATOM 79 N LEU A 8 1.951 -4.506 -12.593 1.00 5.45 N ATOM 80 CA LEU A 8 0.938 -3.752 -11.864 1.00 41.30 C ATOM 81 C LEU A 8 1.507 -3.185 -10.567 1.00 30.05 C ATOM 82 O LEU A 8 2.107 -3.909 -9.773 1.00 24.25 O ATOM 83 CB LEU A 8 -0.268 -4.642 -11.558 1.00 31.34 C ATOM 84 CG LEU A 8 -1.096 -5.088 -12.764 1.00 61.34 C ATOM 85 CD1 LEU A 8 -2.306 -5.891 -12.314 1.00 45.23 C ATOM 86 CD2 LEU A 8 -1.529 -3.884 -13.587 1.00 73.25 C ATOM 0 H LEU A 8 2.187 -5.407 -12.176 1.00 5.45 H new ATOM 0 HA LEU A 8 0.619 -2.921 -12.493 1.00 41.30 H new ATOM 0 HB2 LEU A 8 0.085 -5.531 -11.036 1.00 31.34 H new ATOM 0 HB3 LEU A 8 -0.923 -4.108 -10.870 1.00 31.34 H new ATOM 0 HG LEU A 8 -0.475 -5.728 -13.391 1.00 61.34 H new ATOM 0 HD11 LEU A 8 -2.883 -6.199 -13.186 1.00 45.23 H new ATOM 0 HD12 LEU A 8 -1.974 -6.774 -11.768 1.00 45.23 H new ATOM 0 HD13 LEU A 8 -2.930 -5.276 -11.665 1.00 45.23 H new ATOM 0 HD21 LEU A 8 -2.117 -4.220 -14.441 1.00 73.25 H new ATOM 0 HD22 LEU A 8 -2.133 -3.219 -12.969 1.00 73.25 H new ATOM 0 HD23 LEU A 8 -0.648 -3.349 -13.941 1.00 73.25 H new ATOM 98 N SER A 9 1.314 -1.888 -10.358 1.00 73.41 N ATOM 99 CA SER A 9 1.809 -1.223 -9.158 1.00 34.44 C ATOM 100 C SER A 9 0.938 -1.560 -7.953 1.00 65.24 C ATOM 101 O SER A 9 -0.040 -2.297 -8.065 1.00 74.42 O ATOM 102 CB SER A 9 1.849 0.292 -9.368 1.00 13.32 C ATOM 103 OG SER A 9 0.552 0.854 -9.264 1.00 71.10 O ATOM 0 H SER A 9 0.818 -1.275 -11.005 1.00 73.41 H new ATOM 0 HA SER A 9 2.820 -1.581 -8.964 1.00 34.44 H new ATOM 0 HB2 SER A 9 2.507 0.748 -8.628 1.00 13.32 H new ATOM 0 HB3 SER A 9 2.269 0.516 -10.349 1.00 13.32 H new ATOM 0 HG SER A 9 0.604 1.823 -9.400 1.00 71.10 H new ATOM 109 N GLY A 10 1.302 -1.012 -6.796 1.00 22.43 N ATOM 110 CA GLY A 10 0.545 -1.265 -5.585 1.00 61.04 C ATOM 111 C GLY A 10 -0.938 -1.008 -5.765 1.00 52.54 C ATOM 112 O GLY A 10 -1.769 -1.831 -5.381 1.00 43.23 O ATOM 0 H GLY A 10 2.108 -0.398 -6.677 1.00 22.43 H new ATOM 0 HA2 GLY A 10 0.697 -2.299 -5.275 1.00 61.04 H new ATOM 0 HA3 GLY A 10 0.926 -0.632 -4.783 1.00 61.04 H new ATOM 116 N GLY A 11 -1.273 0.139 -6.348 1.00 30.32 N ATOM 117 CA GLY A 11 -2.666 0.483 -6.565 1.00 14.24 C ATOM 118 C GLY A 11 -3.355 -0.471 -7.522 1.00 42.25 C ATOM 119 O GLY A 11 -4.432 -0.987 -7.223 1.00 74.34 O ATOM 0 H GLY A 11 -0.604 0.836 -6.674 1.00 30.32 H new ATOM 0 HA2 GLY A 11 -3.192 0.478 -5.610 1.00 14.24 H new ATOM 0 HA3 GLY A 11 -2.730 1.497 -6.959 1.00 14.24 H new ATOM 123 N GLU A 12 -2.734 -0.703 -8.673 1.00 54.44 N ATOM 124 CA GLU A 12 -3.299 -1.600 -9.677 1.00 64.55 C ATOM 125 C GLU A 12 -3.457 -3.011 -9.118 1.00 22.21 C ATOM 126 O GLU A 12 -4.424 -3.708 -9.428 1.00 63.45 O ATOM 127 CB GLU A 12 -2.411 -1.629 -10.922 1.00 34.41 C ATOM 128 CG GLU A 12 -1.991 -0.250 -11.404 1.00 22.41 C ATOM 129 CD GLU A 12 -1.238 -0.296 -12.719 1.00 60.44 C ATOM 130 OE1 GLU A 12 -0.066 -0.727 -12.716 1.00 32.14 O ATOM 131 OE2 GLU A 12 -1.819 0.101 -13.751 1.00 13.45 O ATOM 0 H GLU A 12 -1.842 -0.284 -8.935 1.00 54.44 H new ATOM 0 HA GLU A 12 -4.285 -1.224 -9.951 1.00 64.55 H new ATOM 0 HB2 GLU A 12 -1.518 -2.217 -10.707 1.00 34.41 H new ATOM 0 HB3 GLU A 12 -2.943 -2.139 -11.725 1.00 34.41 H new ATOM 0 HG2 GLU A 12 -2.876 0.376 -11.518 1.00 22.41 H new ATOM 0 HG3 GLU A 12 -1.364 0.220 -10.647 1.00 22.41 H new ATOM 138 N LEU A 13 -2.501 -3.425 -8.294 1.00 75.40 N ATOM 139 CA LEU A 13 -2.533 -4.754 -7.692 1.00 61.01 C ATOM 140 C LEU A 13 -3.738 -4.904 -6.769 1.00 5.31 C ATOM 141 O LEU A 13 -4.419 -5.930 -6.782 1.00 71.23 O ATOM 142 CB LEU A 13 -1.242 -5.013 -6.912 1.00 51.15 C ATOM 143 CG LEU A 13 -0.782 -6.469 -6.842 1.00 11.13 C ATOM 144 CD1 LEU A 13 -1.919 -7.367 -6.381 1.00 71.14 C ATOM 145 CD2 LEU A 13 -0.253 -6.927 -8.194 1.00 23.21 C ATOM 0 H LEU A 13 -1.694 -2.860 -8.027 1.00 75.40 H new ATOM 0 HA LEU A 13 -2.619 -5.488 -8.493 1.00 61.01 H new ATOM 0 HB2 LEU A 13 -0.444 -4.422 -7.362 1.00 51.15 H new ATOM 0 HB3 LEU A 13 -1.376 -4.646 -5.895 1.00 51.15 H new ATOM 0 HG LEU A 13 0.027 -6.539 -6.115 1.00 11.13 H new ATOM 0 HD11 LEU A 13 -1.572 -8.400 -6.337 1.00 71.14 H new ATOM 0 HD12 LEU A 13 -2.252 -7.054 -5.391 1.00 71.14 H new ATOM 0 HD13 LEU A 13 -2.749 -7.292 -7.083 1.00 71.14 H new ATOM 0 HD21 LEU A 13 0.070 -7.966 -8.125 1.00 23.21 H new ATOM 0 HD22 LEU A 13 -1.042 -6.841 -8.941 1.00 23.21 H new ATOM 0 HD23 LEU A 13 0.592 -6.303 -8.485 1.00 23.21 H new ATOM 157 N ASP A 14 -3.996 -3.875 -5.969 1.00 71.24 N ATOM 158 CA ASP A 14 -5.121 -3.890 -5.042 1.00 4.34 C ATOM 159 C ASP A 14 -6.430 -4.151 -5.780 1.00 3.12 C ATOM 160 O ASP A 14 -7.256 -4.951 -5.338 1.00 34.25 O ATOM 161 CB ASP A 14 -5.203 -2.565 -4.284 1.00 45.30 C ATOM 162 CG ASP A 14 -6.066 -2.661 -3.041 1.00 24.40 C ATOM 163 OD1 ASP A 14 -6.301 -3.793 -2.569 1.00 41.33 O ATOM 164 OD2 ASP A 14 -6.507 -1.604 -2.541 1.00 23.33 O ATOM 0 H ASP A 14 -3.441 -3.020 -5.944 1.00 71.24 H new ATOM 0 HA ASP A 14 -4.961 -4.698 -4.328 1.00 4.34 H new ATOM 0 HB2 ASP A 14 -4.199 -2.248 -4.002 1.00 45.30 H new ATOM 0 HB3 ASP A 14 -5.606 -1.797 -4.944 1.00 45.30 H new ATOM 169 N LYS A 15 -6.614 -3.469 -6.905 1.00 14.41 N ATOM 170 CA LYS A 15 -7.824 -3.625 -7.705 1.00 23.33 C ATOM 171 C LYS A 15 -7.799 -4.942 -8.476 1.00 61.44 C ATOM 172 O LYS A 15 -8.816 -5.627 -8.583 1.00 5.15 O ATOM 173 CB LYS A 15 -7.969 -2.455 -8.680 1.00 41.03 C ATOM 174 CG LYS A 15 -9.028 -1.447 -8.266 1.00 14.21 C ATOM 175 CD LYS A 15 -8.425 -0.073 -8.023 1.00 54.51 C ATOM 176 CE LYS A 15 -8.323 0.726 -9.313 1.00 32.33 C ATOM 177 NZ LYS A 15 -6.959 0.647 -9.907 1.00 71.23 N ATOM 0 H LYS A 15 -5.941 -2.803 -7.284 1.00 14.41 H new ATOM 0 HA LYS A 15 -8.679 -3.635 -7.029 1.00 23.33 H new ATOM 0 HB2 LYS A 15 -7.009 -1.946 -8.769 1.00 41.03 H new ATOM 0 HB3 LYS A 15 -8.216 -2.844 -9.668 1.00 41.03 H new ATOM 0 HG2 LYS A 15 -9.790 -1.379 -9.042 1.00 14.21 H new ATOM 0 HG3 LYS A 15 -9.526 -1.792 -7.360 1.00 14.21 H new ATOM 0 HD2 LYS A 15 -9.036 0.472 -7.304 1.00 54.51 H new ATOM 0 HD3 LYS A 15 -7.434 -0.182 -7.582 1.00 54.51 H new ATOM 0 HE2 LYS A 15 -9.054 0.353 -10.030 1.00 32.33 H new ATOM 0 HE3 LYS A 15 -8.574 1.768 -9.116 1.00 32.33 H new ATOM 0 HZ1 LYS A 15 -6.905 1.271 -10.737 1.00 71.23 H new ATOM 0 HZ2 LYS A 15 -6.256 0.947 -9.202 1.00 71.23 H new ATOM 0 HZ3 LYS A 15 -6.763 -0.332 -10.197 1.00 71.23 H new ATOM 191 N TRP A 16 -6.633 -5.289 -9.008 1.00 50.30 N ATOM 192 CA TRP A 16 -6.477 -6.525 -9.767 1.00 40.25 C ATOM 193 C TRP A 16 -6.908 -7.730 -8.939 1.00 52.44 C ATOM 194 O TRP A 16 -7.721 -8.539 -9.383 1.00 2.50 O ATOM 195 CB TRP A 16 -5.025 -6.691 -10.216 1.00 2.23 C ATOM 196 CG TRP A 16 -4.748 -8.021 -10.850 1.00 33.11 C ATOM 197 CD1 TRP A 16 -4.295 -9.149 -10.227 1.00 64.53 C ATOM 198 CD2 TRP A 16 -4.906 -8.361 -12.233 1.00 65.41 C ATOM 199 NE1 TRP A 16 -4.161 -10.168 -11.138 1.00 30.04 N ATOM 200 CE2 TRP A 16 -4.530 -9.711 -12.375 1.00 51.15 C ATOM 201 CE3 TRP A 16 -5.329 -7.656 -13.363 1.00 42.44 C ATOM 202 CZ2 TRP A 16 -4.565 -10.367 -13.603 1.00 4.01 C ATOM 203 CZ3 TRP A 16 -5.363 -8.308 -14.580 1.00 3.12 C ATOM 204 CH2 TRP A 16 -4.983 -9.652 -14.693 1.00 10.51 C ATOM 0 H TRP A 16 -5.782 -4.733 -8.928 1.00 50.30 H new ATOM 0 HA TRP A 16 -7.117 -6.466 -10.647 1.00 40.25 H new ATOM 0 HB2 TRP A 16 -4.779 -5.900 -10.925 1.00 2.23 H new ATOM 0 HB3 TRP A 16 -4.369 -6.563 -9.355 1.00 2.23 H new ATOM 0 HD1 TRP A 16 -4.075 -9.228 -9.173 1.00 64.53 H new ATOM 0 HE1 TRP A 16 -3.839 -11.113 -10.927 1.00 30.04 H new ATOM 0 HE3 TRP A 16 -5.624 -6.620 -13.286 1.00 42.44 H new ATOM 0 HZ2 TRP A 16 -4.273 -11.403 -13.692 1.00 4.01 H new ATOM 0 HZ3 TRP A 16 -5.688 -7.773 -15.460 1.00 3.12 H new ATOM 0 HH2 TRP A 16 -5.021 -10.133 -15.659 1.00 10.51 H new ATOM 215 N GLU A 17 -6.357 -7.843 -7.734 1.00 54.14 N ATOM 216 CA GLU A 17 -6.687 -8.951 -6.845 1.00 73.30 C ATOM 217 C GLU A 17 -8.179 -8.969 -6.528 1.00 10.11 C ATOM 218 O GLU A 17 -8.740 -10.010 -6.185 1.00 5.31 O ATOM 219 CB GLU A 17 -5.879 -8.852 -5.550 1.00 45.44 C ATOM 220 CG GLU A 17 -4.621 -9.704 -5.549 1.00 71.02 C ATOM 221 CD GLU A 17 -4.292 -10.256 -4.175 1.00 12.14 C ATOM 222 OE1 GLU A 17 -5.012 -11.165 -3.712 1.00 15.00 O ATOM 223 OE2 GLU A 17 -3.313 -9.780 -3.564 1.00 40.32 O ATOM 0 H GLU A 17 -5.681 -7.182 -7.352 1.00 54.14 H new ATOM 0 HA GLU A 17 -6.431 -9.880 -7.354 1.00 73.30 H new ATOM 0 HB2 GLU A 17 -5.602 -7.811 -5.383 1.00 45.44 H new ATOM 0 HB3 GLU A 17 -6.511 -9.152 -4.714 1.00 45.44 H new ATOM 0 HG2 GLU A 17 -4.746 -10.531 -6.248 1.00 71.02 H new ATOM 0 HG3 GLU A 17 -3.782 -9.107 -5.907 1.00 71.02 H new ATOM 230 N LYS A 18 -8.816 -7.809 -6.643 1.00 50.43 N ATOM 231 CA LYS A 18 -10.245 -7.690 -6.370 1.00 25.24 C ATOM 232 C LYS A 18 -11.068 -8.191 -7.551 1.00 12.11 C ATOM 233 O LYS A 18 -11.995 -8.984 -7.381 1.00 63.24 O ATOM 234 CB LYS A 18 -10.605 -6.235 -6.063 1.00 70.33 C ATOM 235 CG LYS A 18 -11.914 -6.079 -5.308 1.00 61.25 C ATOM 236 CD LYS A 18 -11.680 -5.900 -3.817 1.00 71.44 C ATOM 237 CE LYS A 18 -12.993 -5.819 -3.053 1.00 40.20 C ATOM 238 NZ LYS A 18 -12.895 -4.911 -1.878 1.00 44.01 N ATOM 0 H LYS A 18 -8.366 -6.937 -6.923 1.00 50.43 H new ATOM 0 HA LYS A 18 -10.477 -8.307 -5.502 1.00 25.24 H new ATOM 0 HB2 LYS A 18 -9.802 -5.786 -5.478 1.00 70.33 H new ATOM 0 HB3 LYS A 18 -10.666 -5.679 -6.999 1.00 70.33 H new ATOM 0 HG2 LYS A 18 -12.459 -5.219 -5.697 1.00 61.25 H new ATOM 0 HG3 LYS A 18 -12.539 -6.956 -5.476 1.00 61.25 H new ATOM 0 HD2 LYS A 18 -11.088 -6.733 -3.438 1.00 71.44 H new ATOM 0 HD3 LYS A 18 -11.101 -4.993 -3.645 1.00 71.44 H new ATOM 0 HE2 LYS A 18 -13.780 -5.467 -3.720 1.00 40.20 H new ATOM 0 HE3 LYS A 18 -13.281 -6.816 -2.719 1.00 40.20 H new ATOM 0 HZ1 LYS A 18 -13.810 -4.883 -1.384 1.00 44.01 H new ATOM 0 HZ2 LYS A 18 -12.161 -5.261 -1.229 1.00 44.01 H new ATOM 0 HZ3 LYS A 18 -12.645 -3.954 -2.199 1.00 44.01 H new ATOM 252 N ILE A 19 -10.724 -7.726 -8.746 1.00 35.23 N ATOM 253 CA ILE A 19 -11.431 -8.130 -9.956 1.00 70.22 C ATOM 254 C ILE A 19 -11.524 -9.648 -10.056 1.00 11.31 C ATOM 255 O ILE A 19 -10.600 -10.364 -9.672 1.00 21.14 O ATOM 256 CB ILE A 19 -10.742 -7.584 -11.220 1.00 21.40 C ATOM 257 CG1 ILE A 19 -10.669 -6.056 -11.169 1.00 24.21 C ATOM 258 CG2 ILE A 19 -11.482 -8.043 -12.467 1.00 53.32 C ATOM 259 CD1 ILE A 19 -9.329 -5.501 -11.598 1.00 32.10 C ATOM 0 H ILE A 19 -9.960 -7.069 -8.903 1.00 35.23 H new ATOM 0 HA ILE A 19 -12.435 -7.710 -9.890 1.00 70.22 H new ATOM 0 HB ILE A 19 -9.726 -7.976 -11.259 1.00 21.40 H new ATOM 0 HG12 ILE A 19 -11.447 -5.641 -11.810 1.00 24.21 H new ATOM 0 HG13 ILE A 19 -10.882 -5.724 -10.153 1.00 24.21 H new ATOM 0 HG21 ILE A 19 -10.983 -7.649 -13.352 1.00 53.32 H new ATOM 0 HG22 ILE A 19 -11.486 -9.132 -12.507 1.00 53.32 H new ATOM 0 HG23 ILE A 19 -12.508 -7.677 -12.436 1.00 53.32 H new ATOM 0 HD11 ILE A 19 -9.349 -4.413 -11.537 1.00 32.10 H new ATOM 0 HD12 ILE A 19 -8.549 -5.887 -10.942 1.00 32.10 H new ATOM 0 HD13 ILE A 19 -9.122 -5.803 -12.625 1.00 32.10 H new ATOM 271 N ARG A 20 -12.647 -10.133 -10.576 1.00 34.45 N ATOM 272 CA ARG A 20 -12.861 -11.567 -10.729 1.00 74.12 C ATOM 273 C ARG A 20 -12.769 -11.978 -12.196 1.00 33.21 C ATOM 274 O ARG A 20 -12.994 -11.166 -13.095 1.00 63.44 O ATOM 275 CB ARG A 20 -14.226 -11.964 -10.162 1.00 62.52 C ATOM 276 CG ARG A 20 -14.400 -11.614 -8.694 1.00 43.43 C ATOM 277 CD ARG A 20 -15.568 -10.664 -8.481 1.00 72.54 C ATOM 278 NE ARG A 20 -15.532 -10.036 -7.164 1.00 24.04 N ATOM 279 CZ ARG A 20 -15.943 -10.637 -6.052 1.00 72.52 C ATOM 280 NH1 ARG A 20 -16.418 -11.874 -6.099 1.00 73.53 N ATOM 281 NH2 ARG A 20 -15.878 -10.000 -4.890 1.00 5.35 N ATOM 0 H ARG A 20 -13.422 -9.554 -10.898 1.00 34.45 H new ATOM 0 HA ARG A 20 -12.079 -12.086 -10.175 1.00 74.12 H new ATOM 0 HB2 ARG A 20 -15.008 -11.470 -10.740 1.00 62.52 H new ATOM 0 HB3 ARG A 20 -14.365 -13.038 -10.290 1.00 62.52 H new ATOM 0 HG2 ARG A 20 -14.562 -12.525 -8.119 1.00 43.43 H new ATOM 0 HG3 ARG A 20 -13.485 -11.157 -8.317 1.00 43.43 H new ATOM 0 HD2 ARG A 20 -15.552 -9.892 -9.251 1.00 72.54 H new ATOM 0 HD3 ARG A 20 -16.504 -11.210 -8.596 1.00 72.54 H new ATOM 0 HE ARG A 20 -15.172 -9.084 -7.093 1.00 24.04 H new ATOM 0 HH11 ARG A 20 -16.469 -12.367 -6.990 1.00 73.53 H new ATOM 0 HH12 ARG A 20 -16.733 -12.332 -5.244 1.00 73.53 H new ATOM 0 HH21 ARG A 20 -15.513 -9.049 -4.850 1.00 5.35 H new ATOM 0 HH22 ARG A 20 -16.194 -10.462 -4.037 1.00 5.35 H new ATOM 295 N LEU A 21 -12.437 -13.243 -12.431 1.00 74.10 N ATOM 296 CA LEU A 21 -12.314 -13.762 -13.788 1.00 74.23 C ATOM 297 C LEU A 21 -13.688 -13.942 -14.429 1.00 23.31 C ATOM 298 O LEU A 21 -13.953 -13.417 -15.510 1.00 1.34 O ATOM 299 CB LEU A 21 -11.565 -15.095 -13.781 1.00 25.12 C ATOM 300 CG LEU A 21 -10.247 -15.118 -13.004 1.00 30.43 C ATOM 301 CD1 LEU A 21 -10.144 -16.384 -12.167 1.00 64.43 C ATOM 302 CD2 LEU A 21 -9.065 -15.010 -13.957 1.00 40.04 C ATOM 0 H LEU A 21 -12.248 -13.928 -11.699 1.00 74.10 H new ATOM 0 HA LEU A 21 -11.750 -13.039 -14.376 1.00 74.23 H new ATOM 0 HB2 LEU A 21 -12.223 -15.857 -13.364 1.00 25.12 H new ATOM 0 HB3 LEU A 21 -11.361 -15.380 -14.813 1.00 25.12 H new ATOM 0 HG LEU A 21 -10.227 -14.260 -12.333 1.00 30.43 H new ATOM 0 HD11 LEU A 21 -9.200 -16.384 -11.621 1.00 64.43 H new ATOM 0 HD12 LEU A 21 -10.972 -16.421 -11.460 1.00 64.43 H new ATOM 0 HD13 LEU A 21 -10.185 -17.256 -12.820 1.00 64.43 H new ATOM 0 HD21 LEU A 21 -8.136 -15.028 -13.388 1.00 40.04 H new ATOM 0 HD22 LEU A 21 -9.081 -15.849 -14.653 1.00 40.04 H new ATOM 0 HD23 LEU A 21 -9.131 -14.076 -14.514 1.00 40.04 H new ATOM 314 N ARG A 22 -14.557 -14.685 -13.753 1.00 5.02 N ATOM 315 CA ARG A 22 -15.903 -14.934 -14.254 1.00 35.14 C ATOM 316 C ARG A 22 -16.937 -14.161 -13.441 1.00 54.42 C ATOM 317 O ARG A 22 -16.689 -13.745 -12.310 1.00 51.10 O ATOM 318 CB ARG A 22 -16.218 -16.430 -14.211 1.00 42.02 C ATOM 319 CG ARG A 22 -16.116 -17.114 -15.564 1.00 72.31 C ATOM 320 CD ARG A 22 -17.344 -17.965 -15.853 1.00 20.53 C ATOM 321 NE ARG A 22 -17.019 -19.135 -16.665 1.00 3.02 N ATOM 322 CZ ARG A 22 -17.930 -19.862 -17.302 1.00 73.43 C ATOM 323 NH1 ARG A 22 -19.214 -19.539 -17.224 1.00 33.02 N ATOM 324 NH2 ARG A 22 -17.557 -20.912 -18.021 1.00 15.11 N ATOM 0 H ARG A 22 -14.353 -15.126 -12.856 1.00 5.02 H new ATOM 0 HA ARG A 22 -15.948 -14.591 -15.287 1.00 35.14 H new ATOM 0 HB2 ARG A 22 -15.534 -16.917 -13.515 1.00 42.02 H new ATOM 0 HB3 ARG A 22 -17.225 -16.569 -13.818 1.00 42.02 H new ATOM 0 HG2 ARG A 22 -16.001 -16.362 -16.345 1.00 72.31 H new ATOM 0 HG3 ARG A 22 -15.224 -17.740 -15.590 1.00 72.31 H new ATOM 0 HD2 ARG A 22 -17.790 -18.289 -14.913 1.00 20.53 H new ATOM 0 HD3 ARG A 22 -18.090 -17.361 -16.369 1.00 20.53 H new ATOM 0 HE ARG A 22 -16.040 -19.408 -16.747 1.00 3.02 H new ATOM 0 HH11 ARG A 22 -19.504 -18.731 -16.674 1.00 33.02 H new ATOM 0 HH12 ARG A 22 -19.911 -20.099 -17.714 1.00 33.02 H new ATOM 0 HH21 ARG A 22 -16.570 -21.162 -18.085 1.00 15.11 H new ATOM 0 HH22 ARG A 22 -18.257 -21.470 -18.510 1.00 15.11 H new ATOM 338 N PRO A 23 -18.127 -13.964 -14.030 1.00 33.32 N ATOM 339 CA PRO A 23 -19.223 -13.242 -13.379 1.00 60.53 C ATOM 340 C PRO A 23 -19.820 -14.022 -12.213 1.00 64.22 C ATOM 341 O PRO A 23 -20.262 -13.437 -11.225 1.00 70.01 O ATOM 342 CB PRO A 23 -20.254 -13.079 -14.498 1.00 74.15 C ATOM 343 CG PRO A 23 -19.977 -14.203 -15.435 1.00 72.24 C ATOM 344 CD PRO A 23 -18.492 -14.433 -15.378 1.00 21.30 C ATOM 0 HA PRO A 23 -18.890 -12.298 -12.947 1.00 60.53 H new ATOM 0 HB2 PRO A 23 -21.271 -13.129 -14.109 1.00 74.15 H new ATOM 0 HB3 PRO A 23 -20.150 -12.114 -14.995 1.00 74.15 H new ATOM 0 HG2 PRO A 23 -20.522 -15.100 -15.141 1.00 72.24 H new ATOM 0 HG3 PRO A 23 -20.295 -13.954 -16.448 1.00 72.24 H new ATOM 0 HD2 PRO A 23 -18.242 -15.485 -15.519 1.00 21.30 H new ATOM 0 HD3 PRO A 23 -17.968 -13.874 -16.154 1.00 21.30 H new ATOM 352 N GLY A 24 -19.828 -15.345 -12.335 1.00 2.10 N ATOM 353 CA GLY A 24 -20.373 -16.183 -11.283 1.00 4.23 C ATOM 354 C GLY A 24 -19.406 -17.266 -10.844 1.00 74.25 C ATOM 355 O GLY A 24 -19.749 -18.447 -10.833 1.00 43.31 O ATOM 0 H GLY A 24 -19.467 -15.852 -13.143 1.00 2.10 H new ATOM 0 HA2 GLY A 24 -20.632 -15.562 -10.425 1.00 4.23 H new ATOM 0 HA3 GLY A 24 -21.297 -16.645 -11.632 1.00 4.23 H new ATOM 359 N GLY A 25 -18.192 -16.861 -10.484 1.00 3.21 N ATOM 360 CA GLY A 25 -17.190 -17.817 -10.049 1.00 11.21 C ATOM 361 C GLY A 25 -16.844 -17.668 -8.581 1.00 52.33 C ATOM 362 O GLY A 25 -17.528 -16.959 -7.842 1.00 15.21 O ATOM 0 H GLY A 25 -17.884 -15.888 -10.486 1.00 3.21 H new ATOM 0 HA2 GLY A 25 -17.553 -18.828 -10.232 1.00 11.21 H new ATOM 0 HA3 GLY A 25 -16.287 -17.689 -10.646 1.00 11.21 H new ATOM 366 N LYS A 26 -15.779 -18.337 -8.154 1.00 14.33 N ATOM 367 CA LYS A 26 -15.343 -18.278 -6.764 1.00 62.22 C ATOM 368 C LYS A 26 -13.825 -18.155 -6.676 1.00 20.25 C ATOM 369 O LYS A 26 -13.207 -18.635 -5.724 1.00 55.31 O ATOM 370 CB LYS A 26 -15.810 -19.522 -6.007 1.00 51.12 C ATOM 371 CG LYS A 26 -17.312 -19.572 -5.787 1.00 10.24 C ATOM 372 CD LYS A 26 -17.914 -20.855 -6.337 1.00 34.43 C ATOM 373 CE LYS A 26 -19.208 -21.214 -5.624 1.00 32.23 C ATOM 374 NZ LYS A 26 -19.035 -22.381 -4.716 1.00 53.10 N ATOM 0 H LYS A 26 -15.201 -18.928 -8.752 1.00 14.33 H new ATOM 0 HA LYS A 26 -15.789 -17.395 -6.306 1.00 62.22 H new ATOM 0 HB2 LYS A 26 -15.502 -20.410 -6.559 1.00 51.12 H new ATOM 0 HB3 LYS A 26 -15.308 -19.558 -5.040 1.00 51.12 H new ATOM 0 HG2 LYS A 26 -17.527 -19.496 -4.721 1.00 10.24 H new ATOM 0 HG3 LYS A 26 -17.780 -18.714 -6.269 1.00 10.24 H new ATOM 0 HD2 LYS A 26 -18.105 -20.740 -7.404 1.00 34.43 H new ATOM 0 HD3 LYS A 26 -17.199 -21.670 -6.227 1.00 34.43 H new ATOM 0 HE2 LYS A 26 -19.557 -20.356 -5.050 1.00 32.23 H new ATOM 0 HE3 LYS A 26 -19.979 -21.439 -6.361 1.00 32.23 H new ATOM 0 HZ1 LYS A 26 -19.939 -22.594 -4.249 1.00 53.10 H new ATOM 0 HZ2 LYS A 26 -18.727 -23.207 -5.267 1.00 53.10 H new ATOM 0 HZ3 LYS A 26 -18.318 -22.158 -3.997 1.00 53.10 H new ATOM 388 N LYS A 27 -13.228 -17.509 -7.672 1.00 12.53 N ATOM 389 CA LYS A 27 -11.783 -17.322 -7.706 1.00 63.03 C ATOM 390 C LYS A 27 -11.422 -15.995 -8.365 1.00 53.22 C ATOM 391 O LYS A 27 -11.385 -15.891 -9.592 1.00 45.12 O ATOM 392 CB LYS A 27 -11.115 -18.475 -8.458 1.00 33.24 C ATOM 393 CG LYS A 27 -9.600 -18.373 -8.508 1.00 0.20 C ATOM 394 CD LYS A 27 -9.052 -18.873 -9.835 1.00 4.42 C ATOM 395 CE LYS A 27 -8.799 -20.373 -9.804 1.00 44.51 C ATOM 396 NZ LYS A 27 -7.573 -20.745 -10.560 1.00 35.53 N ATOM 0 H LYS A 27 -13.724 -17.106 -8.467 1.00 12.53 H new ATOM 0 HA LYS A 27 -11.420 -17.309 -6.678 1.00 63.03 H new ATOM 0 HB2 LYS A 27 -11.392 -19.416 -7.983 1.00 33.24 H new ATOM 0 HB3 LYS A 27 -11.502 -18.506 -9.476 1.00 33.24 H new ATOM 0 HG2 LYS A 27 -9.299 -17.337 -8.356 1.00 0.20 H new ATOM 0 HG3 LYS A 27 -9.168 -18.953 -7.693 1.00 0.20 H new ATOM 0 HD2 LYS A 27 -9.757 -18.638 -10.633 1.00 4.42 H new ATOM 0 HD3 LYS A 27 -8.123 -18.351 -10.066 1.00 4.42 H new ATOM 0 HE2 LYS A 27 -8.702 -20.703 -8.770 1.00 44.51 H new ATOM 0 HE3 LYS A 27 -9.658 -20.895 -10.226 1.00 44.51 H new ATOM 0 HZ1 LYS A 27 -7.436 -21.775 -10.514 1.00 35.53 H new ATOM 0 HZ2 LYS A 27 -7.675 -20.453 -11.553 1.00 35.53 H new ATOM 0 HZ3 LYS A 27 -6.749 -20.268 -10.142 1.00 35.53 H new ATOM 410 N GLN A 28 -11.156 -14.984 -7.544 1.00 35.42 N ATOM 411 CA GLN A 28 -10.797 -13.664 -8.049 1.00 60.31 C ATOM 412 C GLN A 28 -9.506 -13.724 -8.860 1.00 45.43 C ATOM 413 O GLN A 28 -8.979 -14.803 -9.128 1.00 20.10 O ATOM 414 CB GLN A 28 -10.641 -12.677 -6.891 1.00 31.22 C ATOM 415 CG GLN A 28 -9.343 -12.845 -6.119 1.00 70.22 C ATOM 416 CD GLN A 28 -9.227 -14.207 -5.462 1.00 74.31 C ATOM 417 OE1 GLN A 28 -8.489 -15.074 -5.932 1.00 63.41 O ATOM 418 NE2 GLN A 28 -9.956 -14.403 -4.371 1.00 70.03 N ATOM 0 H GLN A 28 -11.182 -15.054 -6.527 1.00 35.42 H new ATOM 0 HA GLN A 28 -11.599 -13.322 -8.703 1.00 60.31 H new ATOM 0 HB2 GLN A 28 -10.693 -11.661 -7.281 1.00 31.22 H new ATOM 0 HB3 GLN A 28 -11.480 -12.798 -6.206 1.00 31.22 H new ATOM 0 HG2 GLN A 28 -8.501 -12.699 -6.795 1.00 70.22 H new ATOM 0 HG3 GLN A 28 -9.276 -12.070 -5.355 1.00 70.22 H new ATOM 0 HE21 GLN A 28 -10.554 -13.657 -4.016 1.00 70.03 H new ATOM 0 HE22 GLN A 28 -9.918 -15.300 -3.887 1.00 70.03 H new ATOM 427 N TYR A 29 -9.002 -12.557 -9.247 1.00 43.42 N ATOM 428 CA TYR A 29 -7.775 -12.476 -10.029 1.00 31.12 C ATOM 429 C TYR A 29 -6.547 -12.526 -9.124 1.00 50.14 C ATOM 430 O TYR A 29 -6.587 -12.075 -7.979 1.00 73.20 O ATOM 431 CB TYR A 29 -7.758 -11.192 -10.860 1.00 30.20 C ATOM 432 CG TYR A 29 -8.191 -11.393 -12.295 1.00 52.10 C ATOM 433 CD1 TYR A 29 -7.337 -11.976 -13.223 1.00 53.14 C ATOM 434 CD2 TYR A 29 -9.454 -11.001 -12.721 1.00 73.32 C ATOM 435 CE1 TYR A 29 -7.728 -12.160 -14.536 1.00 5.41 C ATOM 436 CE2 TYR A 29 -9.854 -11.184 -14.031 1.00 72.12 C ATOM 437 CZ TYR A 29 -8.988 -11.763 -14.934 1.00 1.14 C ATOM 438 OH TYR A 29 -9.382 -11.947 -16.240 1.00 63.22 O ATOM 0 H TYR A 29 -9.425 -11.654 -9.031 1.00 43.42 H new ATOM 0 HA TYR A 29 -7.745 -13.335 -10.699 1.00 31.12 H new ATOM 0 HB2 TYR A 29 -8.413 -10.457 -10.391 1.00 30.20 H new ATOM 0 HB3 TYR A 29 -6.751 -10.775 -10.848 1.00 30.20 H new ATOM 0 HD1 TYR A 29 -6.351 -12.291 -12.913 1.00 53.14 H new ATOM 0 HD2 TYR A 29 -10.134 -10.546 -12.017 1.00 73.32 H new ATOM 0 HE1 TYR A 29 -7.051 -12.612 -15.246 1.00 5.41 H new ATOM 0 HE2 TYR A 29 -10.840 -10.875 -14.346 1.00 72.12 H new ATOM 0 HH TYR A 29 -10.354 -11.843 -16.306 1.00 63.22 H new ATOM 448 N LYS A 30 -5.457 -13.077 -9.646 1.00 55.35 N ATOM 449 CA LYS A 30 -4.216 -13.185 -8.888 1.00 75.44 C ATOM 450 C LYS A 30 -3.005 -13.093 -9.812 1.00 54.45 C ATOM 451 O LYS A 30 -3.129 -13.228 -11.030 1.00 74.22 O ATOM 452 CB LYS A 30 -4.181 -14.503 -8.114 1.00 11.42 C ATOM 453 CG LYS A 30 -4.682 -14.383 -6.685 1.00 10.20 C ATOM 454 CD LYS A 30 -3.602 -14.753 -5.683 1.00 45.22 C ATOM 455 CE LYS A 30 -4.196 -15.092 -4.323 1.00 33.31 C ATOM 456 NZ LYS A 30 -3.144 -15.239 -3.279 1.00 61.52 N ATOM 0 H LYS A 30 -5.408 -13.456 -10.592 1.00 55.35 H new ATOM 0 HA LYS A 30 -4.177 -12.355 -8.182 1.00 75.44 H new ATOM 0 HB2 LYS A 30 -4.786 -15.241 -8.641 1.00 11.42 H new ATOM 0 HB3 LYS A 30 -3.158 -14.880 -8.101 1.00 11.42 H new ATOM 0 HG2 LYS A 30 -5.017 -13.362 -6.500 1.00 10.20 H new ATOM 0 HG3 LYS A 30 -5.547 -15.032 -6.546 1.00 10.20 H new ATOM 0 HD2 LYS A 30 -3.035 -15.606 -6.056 1.00 45.22 H new ATOM 0 HD3 LYS A 30 -2.901 -13.925 -5.579 1.00 45.22 H new ATOM 0 HE2 LYS A 30 -4.895 -14.310 -4.027 1.00 33.31 H new ATOM 0 HE3 LYS A 30 -4.767 -16.018 -4.397 1.00 33.31 H new ATOM 0 HZ1 LYS A 30 -3.589 -15.470 -2.368 1.00 61.52 H new ATOM 0 HZ2 LYS A 30 -2.491 -16.003 -3.549 1.00 61.52 H new ATOM 0 HZ3 LYS A 30 -2.616 -14.347 -3.190 1.00 61.52 H new ATOM 470 N LEU A 31 -1.835 -12.865 -9.226 1.00 42.14 N ATOM 471 CA LEU A 31 -0.602 -12.757 -9.996 1.00 4.35 C ATOM 472 C LEU A 31 -0.430 -13.959 -10.919 1.00 30.35 C ATOM 473 O LEU A 31 0.165 -13.851 -11.992 1.00 54.13 O ATOM 474 CB LEU A 31 0.601 -12.645 -9.056 1.00 73.41 C ATOM 475 CG LEU A 31 1.009 -11.227 -8.655 1.00 0.11 C ATOM 476 CD1 LEU A 31 1.779 -11.244 -7.344 1.00 2.43 C ATOM 477 CD2 LEU A 31 1.837 -10.579 -9.754 1.00 31.53 C ATOM 0 H LEU A 31 -1.715 -12.751 -8.220 1.00 42.14 H new ATOM 0 HA LEU A 31 -0.662 -11.857 -10.608 1.00 4.35 H new ATOM 0 HB2 LEU A 31 0.382 -13.209 -8.149 1.00 73.41 H new ATOM 0 HB3 LEU A 31 1.455 -13.126 -9.532 1.00 73.41 H new ATOM 0 HG LEU A 31 0.104 -10.636 -8.514 1.00 0.11 H new ATOM 0 HD11 LEU A 31 2.061 -10.226 -7.074 1.00 2.43 H new ATOM 0 HD12 LEU A 31 1.152 -11.667 -6.559 1.00 2.43 H new ATOM 0 HD13 LEU A 31 2.677 -11.851 -7.457 1.00 2.43 H new ATOM 0 HD21 LEU A 31 2.118 -9.570 -9.451 1.00 31.53 H new ATOM 0 HD22 LEU A 31 2.736 -11.170 -9.928 1.00 31.53 H new ATOM 0 HD23 LEU A 31 1.251 -10.532 -10.672 1.00 31.53 H new ATOM 489 N LYS A 32 -0.954 -15.104 -10.496 1.00 73.41 N ATOM 490 CA LYS A 32 -0.862 -16.326 -11.286 1.00 43.33 C ATOM 491 C LYS A 32 -1.348 -16.090 -12.712 1.00 41.32 C ATOM 492 O LYS A 32 -0.789 -16.631 -13.667 1.00 23.35 O ATOM 493 CB LYS A 32 -1.683 -17.441 -10.634 1.00 22.13 C ATOM 494 CG LYS A 32 -0.837 -18.577 -10.084 1.00 10.10 C ATOM 495 CD LYS A 32 -0.133 -18.176 -8.799 1.00 54.01 C ATOM 496 CE LYS A 32 1.124 -19.002 -8.572 1.00 40.14 C ATOM 497 NZ LYS A 32 2.299 -18.433 -9.289 1.00 11.11 N ATOM 0 H LYS A 32 -1.447 -15.211 -9.610 1.00 73.41 H new ATOM 0 HA LYS A 32 0.185 -16.627 -11.323 1.00 43.33 H new ATOM 0 HB2 LYS A 32 -2.278 -17.017 -9.825 1.00 22.13 H new ATOM 0 HB3 LYS A 32 -2.383 -17.842 -11.367 1.00 22.13 H new ATOM 0 HG2 LYS A 32 -1.469 -19.445 -9.898 1.00 10.10 H new ATOM 0 HG3 LYS A 32 -0.098 -18.874 -10.828 1.00 10.10 H new ATOM 0 HD2 LYS A 32 0.128 -17.118 -8.840 1.00 54.01 H new ATOM 0 HD3 LYS A 32 -0.811 -18.304 -7.956 1.00 54.01 H new ATOM 0 HE2 LYS A 32 1.339 -19.051 -7.504 1.00 40.14 H new ATOM 0 HE3 LYS A 32 0.953 -20.024 -8.910 1.00 40.14 H new ATOM 0 HZ1 LYS A 32 3.135 -19.024 -9.109 1.00 11.11 H new ATOM 0 HZ2 LYS A 32 2.105 -18.410 -10.310 1.00 11.11 H new ATOM 0 HZ3 LYS A 32 2.479 -17.467 -8.949 1.00 11.11 H new ATOM 511 N HIS A 33 -2.392 -15.279 -12.851 1.00 4.02 N ATOM 512 CA HIS A 33 -2.952 -14.969 -14.162 1.00 41.21 C ATOM 513 C HIS A 33 -2.073 -13.966 -14.904 1.00 20.35 C ATOM 514 O HIS A 33 -1.971 -14.098 -16.124 1.00 21.14 O ATOM 515 CB HIS A 33 -4.369 -14.412 -14.017 1.00 24.33 C ATOM 516 CG HIS A 33 -5.228 -15.203 -13.079 1.00 52.55 C ATOM 517 ND1 HIS A 33 -5.998 -14.622 -12.092 1.00 72.31 N ATOM 518 CD2 HIS A 33 -5.440 -16.536 -12.982 1.00 4.42 C ATOM 519 CE1 HIS A 33 -6.644 -15.564 -11.429 1.00 70.23 C ATOM 520 NE2 HIS A 33 -6.322 -16.734 -11.949 1.00 13.41 N ATOM 0 H HIS A 33 -2.868 -14.824 -12.072 1.00 4.02 H new ATOM 0 HA HIS A 33 -2.990 -15.892 -14.741 1.00 41.21 H new ATOM 0 HB2 HIS A 33 -4.312 -13.382 -13.664 1.00 24.33 H new ATOM 0 HB3 HIS A 33 -4.843 -14.387 -14.998 1.00 24.33 H new ATOM 0 HD2 HIS A 33 -4.998 -17.302 -13.602 1.00 4.42 H new ATOM 0 HE1 HIS A 33 -7.320 -15.404 -10.602 1.00 70.23 H new ATOM 0 HE2 HIS A 33 -6.672 -17.639 -11.634 1.00 13.41 H new ATOM 528 N ILE A 34 -1.458 -13.004 -14.226 1.00 60.33 N ATOM 529 CA ILE A 34 -0.607 -12.024 -14.892 1.00 53.33 C ATOM 530 C ILE A 34 0.633 -12.685 -15.482 1.00 15.24 C ATOM 531 O ILE A 34 1.097 -12.310 -16.560 1.00 5.30 O ATOM 532 CB ILE A 34 -0.171 -10.908 -13.925 1.00 21.21 C ATOM 533 CG1 ILE A 34 -1.389 -10.307 -13.221 1.00 31.02 C ATOM 534 CG2 ILE A 34 0.600 -9.831 -14.674 1.00 32.23 C ATOM 535 CD1 ILE A 34 -1.032 -9.308 -12.144 1.00 24.32 C ATOM 0 H ILE A 34 -1.532 -12.881 -13.216 1.00 60.33 H new ATOM 0 HA ILE A 34 -1.199 -11.585 -15.696 1.00 53.33 H new ATOM 0 HB ILE A 34 0.485 -11.339 -13.169 1.00 21.21 H new ATOM 0 HG12 ILE A 34 -2.023 -9.819 -13.962 1.00 31.02 H new ATOM 0 HG13 ILE A 34 -1.977 -11.112 -12.779 1.00 31.02 H new ATOM 0 HG21 ILE A 34 0.902 -9.049 -13.978 1.00 32.23 H new ATOM 0 HG22 ILE A 34 1.486 -10.270 -15.133 1.00 32.23 H new ATOM 0 HG23 ILE A 34 -0.035 -9.402 -15.449 1.00 32.23 H new ATOM 0 HD11 ILE A 34 -1.944 -8.923 -11.688 1.00 24.32 H new ATOM 0 HD12 ILE A 34 -0.424 -9.796 -11.383 1.00 24.32 H new ATOM 0 HD13 ILE A 34 -0.471 -8.484 -12.584 1.00 24.32 H new ATOM 547 N VAL A 35 1.166 -13.673 -14.771 1.00 23.50 N ATOM 548 CA VAL A 35 2.352 -14.390 -15.225 1.00 73.43 C ATOM 549 C VAL A 35 1.988 -15.465 -16.243 1.00 62.01 C ATOM 550 O VAL A 35 2.720 -15.697 -17.205 1.00 63.21 O ATOM 551 CB VAL A 35 3.099 -15.043 -14.047 1.00 74.21 C ATOM 552 CG1 VAL A 35 4.312 -15.814 -14.547 1.00 3.54 C ATOM 553 CG2 VAL A 35 3.508 -13.991 -13.027 1.00 14.12 C ATOM 0 H VAL A 35 0.795 -13.996 -13.877 1.00 23.50 H new ATOM 0 HA VAL A 35 3.005 -13.655 -15.696 1.00 73.43 H new ATOM 0 HB VAL A 35 2.427 -15.748 -13.558 1.00 74.21 H new ATOM 0 HG11 VAL A 35 4.828 -16.269 -13.701 1.00 3.54 H new ATOM 0 HG12 VAL A 35 3.989 -16.594 -15.237 1.00 3.54 H new ATOM 0 HG13 VAL A 35 4.990 -15.133 -15.062 1.00 3.54 H new ATOM 0 HG21 VAL A 35 4.035 -14.470 -12.202 1.00 14.12 H new ATOM 0 HG22 VAL A 35 4.164 -13.261 -13.501 1.00 14.12 H new ATOM 0 HG23 VAL A 35 2.619 -13.488 -12.647 1.00 14.12 H new ATOM 563 N TRP A 36 0.853 -16.119 -16.022 1.00 34.14 N ATOM 564 CA TRP A 36 0.392 -17.171 -16.921 1.00 11.32 C ATOM 565 C TRP A 36 0.282 -16.656 -18.352 1.00 10.05 C ATOM 566 O TRP A 36 0.519 -17.395 -19.307 1.00 61.41 O ATOM 567 CB TRP A 36 -0.962 -17.710 -16.455 1.00 1.01 C ATOM 568 CG TRP A 36 -1.584 -18.671 -17.423 1.00 5.13 C ATOM 569 CD1 TRP A 36 -1.572 -20.035 -17.345 1.00 34.21 C ATOM 570 CD2 TRP A 36 -2.307 -18.340 -18.614 1.00 2.11 C ATOM 571 NE1 TRP A 36 -2.245 -20.572 -18.418 1.00 65.34 N ATOM 572 CE2 TRP A 36 -2.705 -19.553 -19.209 1.00 73.01 C ATOM 573 CE3 TRP A 36 -2.657 -17.138 -19.233 1.00 13.53 C ATOM 574 CZ2 TRP A 36 -3.436 -19.596 -20.394 1.00 61.42 C ATOM 575 CZ3 TRP A 36 -3.382 -17.182 -20.410 1.00 23.11 C ATOM 576 CH2 TRP A 36 -3.766 -18.403 -20.979 1.00 22.24 C ATOM 0 H TRP A 36 0.236 -15.940 -15.230 1.00 34.14 H new ATOM 0 HA TRP A 36 1.124 -17.978 -16.901 1.00 11.32 H new ATOM 0 HB2 TRP A 36 -0.836 -18.206 -15.492 1.00 1.01 H new ATOM 0 HB3 TRP A 36 -1.643 -16.874 -16.296 1.00 1.01 H new ATOM 0 HD1 TRP A 36 -1.104 -20.607 -16.558 1.00 34.21 H new ATOM 0 HE1 TRP A 36 -2.380 -21.567 -18.596 1.00 65.34 H new ATOM 0 HE3 TRP A 36 -2.367 -16.192 -18.801 1.00 13.53 H new ATOM 0 HZ2 TRP A 36 -3.732 -20.536 -20.835 1.00 61.42 H new ATOM 0 HZ3 TRP A 36 -3.657 -16.259 -20.899 1.00 23.11 H new ATOM 0 HH2 TRP A 36 -4.334 -18.403 -21.898 1.00 22.24 H new ATOM 587 N ALA A 37 -0.078 -15.385 -18.493 1.00 40.54 N ATOM 588 CA ALA A 37 -0.217 -14.771 -19.808 1.00 42.34 C ATOM 589 C ALA A 37 1.145 -14.420 -20.396 1.00 4.10 C ATOM 590 O ALA A 37 1.390 -14.626 -21.584 1.00 35.52 O ATOM 591 CB ALA A 37 -1.092 -13.530 -19.720 1.00 73.20 C ATOM 0 H ALA A 37 -0.279 -14.760 -17.712 1.00 40.54 H new ATOM 0 HA ALA A 37 -0.694 -15.493 -20.471 1.00 42.34 H new ATOM 0 HB1 ALA A 37 -1.188 -13.081 -20.709 1.00 73.20 H new ATOM 0 HB2 ALA A 37 -2.079 -13.806 -19.350 1.00 73.20 H new ATOM 0 HB3 ALA A 37 -0.637 -12.812 -19.038 1.00 73.20 H new ATOM 597 N SER A 38 2.029 -13.890 -19.556 1.00 74.14 N ATOM 598 CA SER A 38 3.365 -13.506 -19.995 1.00 13.13 C ATOM 599 C SER A 38 4.102 -14.698 -20.597 1.00 2.41 C ATOM 600 O SER A 38 4.908 -14.545 -21.515 1.00 33.00 O ATOM 601 CB SER A 38 4.165 -12.937 -18.822 1.00 24.43 C ATOM 602 OG SER A 38 3.824 -11.582 -18.581 1.00 10.54 O ATOM 0 H SER A 38 1.844 -13.717 -18.568 1.00 74.14 H new ATOM 0 HA SER A 38 3.263 -12.739 -20.763 1.00 13.13 H new ATOM 0 HB2 SER A 38 3.974 -13.528 -17.926 1.00 24.43 H new ATOM 0 HB3 SER A 38 5.231 -13.015 -19.033 1.00 24.43 H new ATOM 0 HG SER A 38 4.348 -11.242 -17.826 1.00 10.54 H new ATOM 608 N ARG A 39 3.820 -15.887 -20.073 1.00 31.32 N ATOM 609 CA ARG A 39 4.457 -17.106 -20.557 1.00 3.30 C ATOM 610 C ARG A 39 3.846 -17.548 -21.884 1.00 70.31 C ATOM 611 O ARG A 39 4.497 -18.220 -22.683 1.00 71.43 O ATOM 612 CB ARG A 39 4.319 -18.224 -19.522 1.00 1.11 C ATOM 613 CG ARG A 39 5.352 -19.328 -19.677 1.00 20.15 C ATOM 614 CD ARG A 39 6.704 -18.907 -19.123 1.00 50.21 C ATOM 615 NE ARG A 39 7.132 -19.759 -18.017 1.00 4.51 N ATOM 616 CZ ARG A 39 8.125 -19.449 -17.192 1.00 4.02 C ATOM 617 NH1 ARG A 39 8.791 -18.313 -17.348 1.00 41.44 N ATOM 618 NH2 ARG A 39 8.456 -20.276 -16.207 1.00 52.21 N ATOM 0 H ARG A 39 3.155 -16.032 -19.313 1.00 31.32 H new ATOM 0 HA ARG A 39 5.515 -16.896 -20.716 1.00 3.30 H new ATOM 0 HB2 ARG A 39 4.404 -17.796 -18.523 1.00 1.11 H new ATOM 0 HB3 ARG A 39 3.322 -18.658 -19.599 1.00 1.11 H new ATOM 0 HG2 ARG A 39 5.009 -20.224 -19.160 1.00 20.15 H new ATOM 0 HG3 ARG A 39 5.454 -19.587 -20.731 1.00 20.15 H new ATOM 0 HD2 ARG A 39 7.449 -18.944 -19.918 1.00 50.21 H new ATOM 0 HD3 ARG A 39 6.651 -17.872 -18.784 1.00 50.21 H new ATOM 0 HE ARG A 39 6.641 -20.641 -17.870 1.00 4.51 H new ATOM 0 HH11 ARG A 39 8.541 -17.675 -18.103 1.00 41.44 H new ATOM 0 HH12 ARG A 39 9.553 -18.077 -16.713 1.00 41.44 H new ATOM 0 HH21 ARG A 39 7.947 -21.151 -16.083 1.00 52.21 H new ATOM 0 HH22 ARG A 39 9.219 -20.036 -15.574 1.00 52.21 H new ATOM 632 N GLU A 40 2.593 -17.166 -22.109 1.00 32.44 N ATOM 633 CA GLU A 40 1.896 -17.525 -23.339 1.00 44.44 C ATOM 634 C GLU A 40 2.168 -16.501 -24.438 1.00 4.31 C ATOM 635 O GLU A 40 2.112 -16.820 -25.626 1.00 2.01 O ATOM 636 CB GLU A 40 0.390 -17.628 -23.085 1.00 42.14 C ATOM 637 CG GLU A 40 -0.344 -18.472 -24.113 1.00 55.04 C ATOM 638 CD GLU A 40 -0.483 -19.920 -23.686 1.00 51.15 C ATOM 639 OE1 GLU A 40 -1.120 -20.171 -22.641 1.00 61.22 O ATOM 640 OE2 GLU A 40 0.043 -20.802 -24.396 1.00 74.32 O ATOM 0 H GLU A 40 2.040 -16.609 -21.457 1.00 32.44 H new ATOM 0 HA GLU A 40 2.270 -18.494 -23.669 1.00 44.44 H new ATOM 0 HB2 GLU A 40 0.225 -18.052 -22.095 1.00 42.14 H new ATOM 0 HB3 GLU A 40 -0.038 -16.626 -23.078 1.00 42.14 H new ATOM 0 HG2 GLU A 40 -1.335 -18.051 -24.283 1.00 55.04 H new ATOM 0 HG3 GLU A 40 0.189 -18.427 -25.063 1.00 55.04 H new ATOM 647 N LEU A 41 2.464 -15.271 -24.032 1.00 21.04 N ATOM 648 CA LEU A 41 2.746 -14.200 -24.981 1.00 70.03 C ATOM 649 C LEU A 41 4.059 -14.454 -25.715 1.00 51.25 C ATOM 650 O LEU A 41 4.124 -14.356 -26.940 1.00 30.13 O ATOM 651 CB LEU A 41 2.805 -12.853 -24.258 1.00 0.41 C ATOM 652 CG LEU A 41 1.504 -12.050 -24.228 1.00 55.41 C ATOM 653 CD1 LEU A 41 1.687 -10.766 -23.433 1.00 14.14 C ATOM 654 CD2 LEU A 41 1.034 -11.742 -25.642 1.00 20.43 C ATOM 0 H LEU A 41 2.515 -14.991 -23.053 1.00 21.04 H new ATOM 0 HA LEU A 41 1.940 -14.177 -25.714 1.00 70.03 H new ATOM 0 HB2 LEU A 41 3.124 -13.028 -23.231 1.00 0.41 H new ATOM 0 HB3 LEU A 41 3.574 -12.243 -24.731 1.00 0.41 H new ATOM 0 HG LEU A 41 0.740 -12.652 -23.736 1.00 55.41 H new ATOM 0 HD11 LEU A 41 0.751 -10.208 -23.423 1.00 14.14 H new ATOM 0 HD12 LEU A 41 1.976 -11.009 -22.410 1.00 14.14 H new ATOM 0 HD13 LEU A 41 2.466 -10.160 -23.895 1.00 14.14 H new ATOM 0 HD21 LEU A 41 0.107 -11.170 -25.601 1.00 20.43 H new ATOM 0 HD22 LEU A 41 1.796 -11.160 -26.160 1.00 20.43 H new ATOM 0 HD23 LEU A 41 0.861 -12.675 -26.179 1.00 20.43 H new ATOM 666 N GLU A 42 5.100 -14.782 -24.958 1.00 4.21 N ATOM 667 CA GLU A 42 6.411 -15.052 -25.537 1.00 11.10 C ATOM 668 C GLU A 42 6.322 -16.146 -26.598 1.00 43.31 C ATOM 669 O GLU A 42 7.142 -16.204 -27.514 1.00 74.55 O ATOM 670 CB GLU A 42 7.401 -15.464 -24.445 1.00 74.23 C ATOM 671 CG GLU A 42 8.474 -14.422 -24.173 1.00 2.34 C ATOM 672 CD GLU A 42 9.871 -14.935 -24.465 1.00 73.12 C ATOM 673 OE1 GLU A 42 10.060 -15.574 -25.520 1.00 30.24 O ATOM 674 OE2 GLU A 42 10.775 -14.695 -23.637 1.00 15.32 O ATOM 0 H GLU A 42 5.062 -14.867 -23.942 1.00 4.21 H new ATOM 0 HA GLU A 42 6.766 -14.137 -26.012 1.00 11.10 H new ATOM 0 HB2 GLU A 42 6.853 -15.658 -23.523 1.00 74.23 H new ATOM 0 HB3 GLU A 42 7.880 -16.400 -24.734 1.00 74.23 H new ATOM 0 HG2 GLU A 42 8.280 -13.539 -24.782 1.00 2.34 H new ATOM 0 HG3 GLU A 42 8.416 -14.109 -23.130 1.00 2.34 H new ATOM 681 N ARG A 43 5.323 -17.011 -26.465 1.00 2.41 N ATOM 682 CA ARG A 43 5.128 -18.104 -27.409 1.00 55.33 C ATOM 683 C ARG A 43 4.594 -17.583 -28.741 1.00 23.44 C ATOM 684 O ARG A 43 4.824 -18.184 -29.791 1.00 63.54 O ATOM 685 CB ARG A 43 4.161 -19.139 -26.831 1.00 12.41 C ATOM 686 CG ARG A 43 4.425 -20.556 -27.316 1.00 54.44 C ATOM 687 CD ARG A 43 5.779 -21.063 -26.846 1.00 35.13 C ATOM 688 NE ARG A 43 5.810 -22.519 -26.736 1.00 13.10 N ATOM 689 CZ ARG A 43 6.727 -23.183 -26.042 1.00 12.25 C ATOM 690 NH1 ARG A 43 7.682 -22.526 -25.400 1.00 3.34 N ATOM 691 NH2 ARG A 43 6.689 -24.509 -25.990 1.00 42.24 N ATOM 0 H ARG A 43 4.636 -16.976 -25.712 1.00 2.41 H new ATOM 0 HA ARG A 43 6.095 -18.577 -27.584 1.00 55.33 H new ATOM 0 HB2 ARG A 43 4.227 -19.118 -25.743 1.00 12.41 H new ATOM 0 HB3 ARG A 43 3.141 -18.858 -27.094 1.00 12.41 H new ATOM 0 HG2 ARG A 43 3.640 -21.219 -26.951 1.00 54.44 H new ATOM 0 HG3 ARG A 43 4.383 -20.583 -28.405 1.00 54.44 H new ATOM 0 HD2 ARG A 43 6.551 -20.736 -27.543 1.00 35.13 H new ATOM 0 HD3 ARG A 43 6.015 -20.621 -25.878 1.00 35.13 H new ATOM 0 HE ARG A 43 5.088 -23.055 -27.218 1.00 13.10 H new ATOM 0 HH11 ARG A 43 7.714 -21.507 -25.438 1.00 3.34 H new ATOM 0 HH12 ARG A 43 8.385 -23.039 -24.868 1.00 3.34 H new ATOM 0 HH21 ARG A 43 5.955 -25.018 -26.483 1.00 42.24 H new ATOM 0 HH22 ARG A 43 7.393 -25.019 -25.457 1.00 42.24 H new ATOM 705 N PHE A 44 3.883 -16.462 -28.690 1.00 41.41 N ATOM 706 CA PHE A 44 3.316 -15.861 -29.891 1.00 43.20 C ATOM 707 C PHE A 44 4.231 -14.767 -30.435 1.00 52.31 C ATOM 708 O PHE A 44 3.775 -13.835 -31.096 1.00 20.12 O ATOM 709 CB PHE A 44 1.931 -15.282 -29.593 1.00 24.13 C ATOM 710 CG PHE A 44 0.930 -16.315 -29.161 1.00 64.02 C ATOM 711 CD1 PHE A 44 0.797 -17.504 -29.859 1.00 12.52 C ATOM 712 CD2 PHE A 44 0.122 -16.096 -28.057 1.00 54.52 C ATOM 713 CE1 PHE A 44 -0.124 -18.458 -29.464 1.00 25.31 C ATOM 714 CE2 PHE A 44 -0.801 -17.045 -27.657 1.00 24.22 C ATOM 715 CZ PHE A 44 -0.924 -18.227 -28.362 1.00 64.03 C ATOM 0 H PHE A 44 3.686 -15.951 -27.829 1.00 41.41 H new ATOM 0 HA PHE A 44 3.221 -16.640 -30.647 1.00 43.20 H new ATOM 0 HB2 PHE A 44 2.022 -14.527 -28.812 1.00 24.13 H new ATOM 0 HB3 PHE A 44 1.558 -14.776 -30.484 1.00 24.13 H new ATOM 0 HD1 PHE A 44 1.420 -17.689 -30.722 1.00 12.52 H new ATOM 0 HD2 PHE A 44 0.214 -15.174 -27.503 1.00 54.52 H new ATOM 0 HE1 PHE A 44 -0.217 -19.381 -30.016 1.00 25.31 H new ATOM 0 HE2 PHE A 44 -1.425 -16.862 -26.795 1.00 24.22 H new ATOM 0 HZ PHE A 44 -1.645 -18.969 -28.052 1.00 64.03 H new ATOM 725 N ALA A 45 5.523 -14.890 -30.152 1.00 0.31 N ATOM 726 CA ALA A 45 6.502 -13.914 -30.613 1.00 1.02 C ATOM 727 C ALA A 45 6.245 -12.544 -29.995 1.00 60.43 C ATOM 728 O ALA A 45 6.664 -11.520 -30.533 1.00 33.43 O ATOM 729 CB ALA A 45 6.481 -13.822 -32.131 1.00 10.25 C ATOM 0 H ALA A 45 5.916 -15.656 -29.605 1.00 0.31 H new ATOM 0 HA ALA A 45 7.489 -14.248 -30.294 1.00 1.02 H new ATOM 0 HB1 ALA A 45 7.217 -13.089 -32.461 1.00 10.25 H new ATOM 0 HB2 ALA A 45 6.721 -14.796 -32.558 1.00 10.25 H new ATOM 0 HB3 ALA A 45 5.489 -13.515 -32.463 1.00 10.25 H new ATOM 735 N VAL A 46 5.552 -12.532 -28.860 1.00 70.20 N ATOM 736 CA VAL A 46 5.239 -11.287 -28.168 1.00 13.22 C ATOM 737 C VAL A 46 5.863 -11.259 -26.778 1.00 2.13 C ATOM 738 O VAL A 46 5.621 -12.146 -25.961 1.00 4.52 O ATOM 739 CB VAL A 46 3.717 -11.084 -28.041 1.00 65.31 C ATOM 740 CG1 VAL A 46 3.412 -9.802 -27.280 1.00 2.44 C ATOM 741 CG2 VAL A 46 3.065 -11.066 -29.414 1.00 32.25 C ATOM 0 H VAL A 46 5.197 -13.371 -28.401 1.00 70.20 H new ATOM 0 HA VAL A 46 5.657 -10.478 -28.766 1.00 13.22 H new ATOM 0 HB VAL A 46 3.302 -11.921 -27.479 1.00 65.31 H new ATOM 0 HG11 VAL A 46 2.332 -9.675 -27.200 1.00 2.44 H new ATOM 0 HG12 VAL A 46 3.846 -9.860 -26.282 1.00 2.44 H new ATOM 0 HG13 VAL A 46 3.839 -8.952 -27.813 1.00 2.44 H new ATOM 0 HG21 VAL A 46 1.990 -10.922 -29.305 1.00 32.25 H new ATOM 0 HG22 VAL A 46 3.482 -10.250 -30.004 1.00 32.25 H new ATOM 0 HG23 VAL A 46 3.254 -12.013 -29.919 1.00 32.25 H new ATOM 751 N ASN A 47 6.669 -10.234 -26.518 1.00 41.41 N ATOM 752 CA ASN A 47 7.328 -10.091 -25.225 1.00 71.44 C ATOM 753 C ASN A 47 6.312 -9.800 -24.125 1.00 25.12 C ATOM 754 O ASN A 47 5.333 -9.080 -24.323 1.00 31.43 O ATOM 755 CB ASN A 47 8.369 -8.971 -25.283 1.00 63.03 C ATOM 756 CG ASN A 47 9.630 -9.389 -26.014 1.00 52.40 C ATOM 757 OD1 ASN A 47 10.476 -10.093 -25.462 1.00 63.44 O ATOM 758 ND2 ASN A 47 9.760 -8.957 -27.263 1.00 22.05 N ATOM 0 H ASN A 47 6.881 -9.492 -27.185 1.00 41.41 H new ATOM 0 HA ASN A 47 7.827 -11.032 -24.993 1.00 71.44 H new ATOM 0 HB2 ASN A 47 7.936 -8.102 -25.779 1.00 63.03 H new ATOM 0 HB3 ASN A 47 8.625 -8.664 -24.269 1.00 63.03 H new ATOM 0 HD21 ASN A 47 10.587 -9.207 -27.806 1.00 22.05 H new ATOM 0 HD22 ASN A 47 9.033 -8.375 -27.680 1.00 22.05 H new ATOM 765 N PRO A 48 6.549 -10.372 -22.935 1.00 43.21 N ATOM 766 CA PRO A 48 5.667 -10.189 -21.779 1.00 43.30 C ATOM 767 C PRO A 48 5.731 -8.772 -21.220 1.00 40.13 C ATOM 768 O PRO A 48 4.943 -8.400 -20.351 1.00 50.20 O ATOM 769 CB PRO A 48 6.208 -11.191 -20.757 1.00 30.14 C ATOM 770 CG PRO A 48 7.638 -11.378 -21.130 1.00 12.14 C ATOM 771 CD PRO A 48 7.696 -11.243 -22.627 1.00 23.52 C ATOM 0 HA PRO A 48 4.620 -10.346 -22.037 1.00 43.30 H new ATOM 0 HB2 PRO A 48 6.111 -10.811 -19.740 1.00 30.14 H new ATOM 0 HB3 PRO A 48 5.662 -12.133 -20.799 1.00 30.14 H new ATOM 0 HG2 PRO A 48 8.268 -10.632 -20.646 1.00 12.14 H new ATOM 0 HG3 PRO A 48 8.000 -12.356 -20.812 1.00 12.14 H new ATOM 0 HD2 PRO A 48 8.637 -10.800 -22.954 1.00 23.52 H new ATOM 0 HD3 PRO A 48 7.610 -12.211 -23.121 1.00 23.52 H new ATOM 779 N GLY A 49 6.676 -7.983 -21.725 1.00 51.22 N ATOM 780 CA GLY A 49 6.824 -6.615 -21.264 1.00 20.10 C ATOM 781 C GLY A 49 5.854 -5.667 -21.939 1.00 51.50 C ATOM 782 O GLY A 49 5.977 -4.448 -21.816 1.00 21.43 O ATOM 0 H GLY A 49 7.341 -8.267 -22.444 1.00 51.22 H new ATOM 0 HA2 GLY A 49 6.670 -6.580 -20.185 1.00 20.10 H new ATOM 0 HA3 GLY A 49 7.844 -6.280 -21.452 1.00 20.10 H new ATOM 786 N LEU A 50 4.885 -6.226 -22.657 1.00 23.12 N ATOM 787 CA LEU A 50 3.889 -5.422 -23.356 1.00 33.11 C ATOM 788 C LEU A 50 2.628 -5.263 -22.514 1.00 62.24 C ATOM 789 O LEU A 50 1.888 -4.290 -22.662 1.00 61.23 O ATOM 790 CB LEU A 50 3.541 -6.062 -24.701 1.00 53.11 C ATOM 791 CG LEU A 50 4.686 -6.170 -25.710 1.00 50.34 C ATOM 792 CD1 LEU A 50 4.176 -6.705 -27.039 1.00 0.23 C ATOM 793 CD2 LEU A 50 5.359 -4.818 -25.899 1.00 54.43 C ATOM 0 H LEU A 50 4.768 -7.233 -22.770 1.00 23.12 H new ATOM 0 HA LEU A 50 4.314 -4.433 -23.530 1.00 33.11 H new ATOM 0 HB2 LEU A 50 3.152 -7.063 -24.514 1.00 53.11 H new ATOM 0 HB3 LEU A 50 2.735 -5.487 -25.157 1.00 53.11 H new ATOM 0 HG LEU A 50 5.425 -6.870 -25.320 1.00 50.34 H new ATOM 0 HD11 LEU A 50 5.004 -6.775 -27.745 1.00 0.23 H new ATOM 0 HD12 LEU A 50 3.741 -7.693 -26.891 1.00 0.23 H new ATOM 0 HD13 LEU A 50 3.417 -6.030 -27.436 1.00 0.23 H new ATOM 0 HD21 LEU A 50 6.171 -4.913 -26.620 1.00 54.43 H new ATOM 0 HD22 LEU A 50 4.629 -4.097 -26.267 1.00 54.43 H new ATOM 0 HD23 LEU A 50 5.759 -4.474 -24.945 1.00 54.43 H new ATOM 805 N LEU A 51 2.389 -6.224 -21.628 1.00 32.24 N ATOM 806 CA LEU A 51 1.218 -6.191 -20.760 1.00 43.43 C ATOM 807 C LEU A 51 1.386 -5.148 -19.660 1.00 50.04 C ATOM 808 O LEU A 51 0.404 -4.628 -19.130 1.00 60.55 O ATOM 809 CB LEU A 51 0.979 -7.568 -20.139 1.00 51.21 C ATOM 810 CG LEU A 51 0.766 -8.719 -21.123 1.00 12.35 C ATOM 811 CD1 LEU A 51 0.898 -10.059 -20.414 1.00 52.54 C ATOM 812 CD2 LEU A 51 -0.593 -8.601 -21.796 1.00 31.23 C ATOM 0 H LEU A 51 2.991 -7.036 -21.492 1.00 32.24 H new ATOM 0 HA LEU A 51 0.355 -5.918 -21.367 1.00 43.43 H new ATOM 0 HB2 LEU A 51 1.831 -7.811 -19.505 1.00 51.21 H new ATOM 0 HB3 LEU A 51 0.106 -7.505 -19.489 1.00 51.21 H new ATOM 0 HG LEU A 51 1.536 -8.661 -21.892 1.00 12.35 H new ATOM 0 HD11 LEU A 51 0.743 -10.866 -21.130 1.00 52.54 H new ATOM 0 HD12 LEU A 51 1.894 -10.145 -19.980 1.00 52.54 H new ATOM 0 HD13 LEU A 51 0.151 -10.127 -19.623 1.00 52.54 H new ATOM 0 HD21 LEU A 51 -0.727 -9.428 -22.493 1.00 31.23 H new ATOM 0 HD22 LEU A 51 -1.377 -8.633 -21.040 1.00 31.23 H new ATOM 0 HD23 LEU A 51 -0.650 -7.657 -22.338 1.00 31.23 H new ATOM 824 N GLU A 52 2.636 -4.845 -19.324 1.00 1.13 N ATOM 825 CA GLU A 52 2.931 -3.862 -18.288 1.00 3.13 C ATOM 826 C GLU A 52 2.696 -2.444 -18.800 1.00 3.21 C ATOM 827 O GLU A 52 2.767 -1.477 -18.041 1.00 41.14 O ATOM 828 CB GLU A 52 4.377 -4.010 -17.811 1.00 22.05 C ATOM 829 CG GLU A 52 5.402 -3.882 -18.925 1.00 12.15 C ATOM 830 CD GLU A 52 6.520 -2.916 -18.583 1.00 15.03 C ATOM 831 OE1 GLU A 52 6.924 -2.870 -17.403 1.00 51.33 O ATOM 832 OE2 GLU A 52 6.990 -2.207 -19.497 1.00 62.12 O ATOM 0 H GLU A 52 3.460 -5.266 -19.754 1.00 1.13 H new ATOM 0 HA GLU A 52 2.258 -4.043 -17.450 1.00 3.13 H new ATOM 0 HB2 GLU A 52 4.580 -3.253 -17.053 1.00 22.05 H new ATOM 0 HB3 GLU A 52 4.495 -4.981 -17.331 1.00 22.05 H new ATOM 0 HG2 GLU A 52 5.827 -4.863 -19.137 1.00 12.15 H new ATOM 0 HG3 GLU A 52 4.904 -3.547 -19.835 1.00 12.15 H new ATOM 839 N THR A 53 2.415 -2.327 -20.094 1.00 32.14 N ATOM 840 CA THR A 53 2.171 -1.029 -20.709 1.00 35.43 C ATOM 841 C THR A 53 0.802 -0.987 -21.379 1.00 41.52 C ATOM 842 O THR A 53 0.452 -1.876 -22.156 1.00 44.34 O ATOM 843 CB THR A 53 3.251 -0.690 -21.754 1.00 25.00 C ATOM 844 OG1 THR A 53 3.065 -1.489 -22.928 1.00 63.53 O ATOM 845 CG2 THR A 53 4.644 -0.927 -21.189 1.00 13.51 C ATOM 0 H THR A 53 2.351 -3.117 -20.737 1.00 32.14 H new ATOM 0 HA THR A 53 2.205 -0.289 -19.909 1.00 35.43 H new ATOM 0 HB THR A 53 3.156 0.364 -22.014 1.00 25.00 H new ATOM 0 HG1 THR A 53 2.540 -2.285 -22.702 1.00 63.53 H new ATOM 0 HG21 THR A 53 5.390 -0.681 -21.945 1.00 13.51 H new ATOM 0 HG22 THR A 53 4.793 -0.296 -20.313 1.00 13.51 H new ATOM 0 HG23 THR A 53 4.748 -1.974 -20.904 1.00 13.51 H new ATOM 853 N SER A 54 0.031 0.053 -21.074 1.00 0.44 N ATOM 854 CA SER A 54 -1.302 0.209 -21.644 1.00 1.31 C ATOM 855 C SER A 54 -1.247 0.181 -23.169 1.00 21.15 C ATOM 856 O SER A 54 -2.222 -0.178 -23.829 1.00 24.10 O ATOM 857 CB SER A 54 -1.932 1.519 -21.169 1.00 52.43 C ATOM 858 OG SER A 54 -1.773 2.542 -22.137 1.00 43.43 O ATOM 0 H SER A 54 0.307 0.799 -20.436 1.00 0.44 H new ATOM 0 HA SER A 54 -1.916 -0.625 -21.304 1.00 1.31 H new ATOM 0 HB2 SER A 54 -2.992 1.365 -20.969 1.00 52.43 H new ATOM 0 HB3 SER A 54 -1.472 1.828 -20.230 1.00 52.43 H new ATOM 0 HG SER A 54 -2.580 3.097 -22.162 1.00 43.43 H new ATOM 864 N GLU A 55 -0.099 0.563 -23.721 1.00 4.31 N ATOM 865 CA GLU A 55 0.082 0.584 -25.167 1.00 1.12 C ATOM 866 C GLU A 55 0.275 -0.829 -25.711 1.00 53.44 C ATOM 867 O GLU A 55 -0.367 -1.224 -26.683 1.00 55.42 O ATOM 868 CB GLU A 55 1.285 1.453 -25.540 1.00 34.12 C ATOM 869 CG GLU A 55 0.912 2.709 -26.310 1.00 13.22 C ATOM 870 CD GLU A 55 0.179 3.723 -25.453 1.00 3.42 C ATOM 871 OE1 GLU A 55 0.003 3.461 -24.245 1.00 43.24 O ATOM 872 OE2 GLU A 55 -0.218 4.777 -25.991 1.00 34.12 O ATOM 0 H GLU A 55 0.718 0.862 -23.189 1.00 4.31 H new ATOM 0 HA GLU A 55 -0.817 1.008 -25.614 1.00 1.12 H new ATOM 0 HB2 GLU A 55 1.813 1.738 -24.630 1.00 34.12 H new ATOM 0 HB3 GLU A 55 1.978 0.862 -26.139 1.00 34.12 H new ATOM 0 HG2 GLU A 55 1.816 3.165 -26.713 1.00 13.22 H new ATOM 0 HG3 GLU A 55 0.286 2.437 -27.160 1.00 13.22 H new ATOM 879 N GLY A 56 1.164 -1.586 -25.075 1.00 14.43 N ATOM 880 CA GLY A 56 1.426 -2.946 -25.510 1.00 63.12 C ATOM 881 C GLY A 56 0.163 -3.781 -25.594 1.00 43.41 C ATOM 882 O GLY A 56 -0.071 -4.466 -26.590 1.00 23.23 O ATOM 0 H GLY A 56 1.707 -1.282 -24.267 1.00 14.43 H new ATOM 0 HA2 GLY A 56 1.910 -2.925 -26.487 1.00 63.12 H new ATOM 0 HA3 GLY A 56 2.124 -3.417 -24.818 1.00 63.12 H new ATOM 886 N CYS A 57 -0.650 -3.727 -24.545 1.00 40.32 N ATOM 887 CA CYS A 57 -1.895 -4.486 -24.503 1.00 0.30 C ATOM 888 C CYS A 57 -2.770 -4.164 -25.710 1.00 30.23 C ATOM 889 O CYS A 57 -3.336 -5.061 -26.337 1.00 64.33 O ATOM 890 CB CYS A 57 -2.656 -4.186 -23.212 1.00 40.54 C ATOM 891 SG CYS A 57 -2.330 -5.357 -21.873 1.00 43.15 S ATOM 0 H CYS A 57 -0.470 -3.166 -23.712 1.00 40.32 H new ATOM 0 HA CYS A 57 -1.646 -5.547 -24.531 1.00 0.30 H new ATOM 0 HB2 CYS A 57 -2.396 -3.183 -22.874 1.00 40.54 H new ATOM 0 HB3 CYS A 57 -3.725 -4.183 -23.425 1.00 40.54 H new ATOM 0 HG CYS A 57 -3.017 -5.018 -20.823 1.00 43.15 H new ATOM 897 N ARG A 58 -2.877 -2.878 -26.030 1.00 13.40 N ATOM 898 CA ARG A 58 -3.685 -2.437 -27.160 1.00 14.35 C ATOM 899 C ARG A 58 -3.307 -3.197 -28.429 1.00 50.51 C ATOM 900 O ARG A 58 -4.175 -3.686 -29.152 1.00 12.01 O ATOM 901 CB ARG A 58 -3.512 -0.934 -27.383 1.00 34.33 C ATOM 902 CG ARG A 58 -4.599 -0.316 -28.248 1.00 42.31 C ATOM 903 CD ARG A 58 -4.148 1.003 -28.852 1.00 31.33 C ATOM 904 NE ARG A 58 -5.264 1.921 -29.061 1.00 1.11 N ATOM 905 CZ ARG A 58 -6.123 1.816 -30.069 1.00 52.42 C ATOM 906 NH1 ARG A 58 -5.995 0.839 -30.955 1.00 12.04 N ATOM 907 NH2 ARG A 58 -7.115 2.690 -30.192 1.00 5.24 N ATOM 0 H ARG A 58 -2.414 -2.124 -25.522 1.00 13.40 H new ATOM 0 HA ARG A 58 -4.730 -2.645 -26.930 1.00 14.35 H new ATOM 0 HB2 ARG A 58 -3.500 -0.431 -26.416 1.00 34.33 H new ATOM 0 HB3 ARG A 58 -2.543 -0.754 -27.849 1.00 34.33 H new ATOM 0 HG2 ARG A 58 -4.869 -1.009 -29.045 1.00 42.31 H new ATOM 0 HG3 ARG A 58 -5.495 -0.155 -27.648 1.00 42.31 H new ATOM 0 HD2 ARG A 58 -3.413 1.469 -28.196 1.00 31.33 H new ATOM 0 HD3 ARG A 58 -3.651 0.814 -29.804 1.00 31.33 H new ATOM 0 HE ARG A 58 -5.391 2.685 -28.397 1.00 1.11 H new ATOM 0 HH11 ARG A 58 -5.235 0.165 -30.864 1.00 12.04 H new ATOM 0 HH12 ARG A 58 -6.656 0.761 -31.728 1.00 12.04 H new ATOM 0 HH21 ARG A 58 -7.218 3.443 -29.512 1.00 5.24 H new ATOM 0 HH22 ARG A 58 -7.774 2.608 -30.966 1.00 5.24 H new ATOM 921 N GLN A 59 -2.008 -3.291 -28.691 1.00 22.24 N ATOM 922 CA GLN A 59 -1.516 -3.991 -29.872 1.00 60.00 C ATOM 923 C GLN A 59 -1.876 -5.471 -29.817 1.00 4.25 C ATOM 924 O GLN A 59 -1.999 -6.129 -30.851 1.00 24.53 O ATOM 925 CB GLN A 59 0.000 -3.826 -29.994 1.00 51.11 C ATOM 926 CG GLN A 59 0.423 -2.900 -31.123 1.00 52.44 C ATOM 927 CD GLN A 59 1.543 -3.480 -31.964 1.00 65.45 C ATOM 928 OE1 GLN A 59 1.564 -4.676 -32.253 1.00 41.21 O ATOM 929 NE2 GLN A 59 2.483 -2.630 -32.363 1.00 30.31 N ATOM 0 H GLN A 59 -1.277 -2.892 -28.102 1.00 22.24 H new ATOM 0 HA GLN A 59 -1.993 -3.553 -30.748 1.00 60.00 H new ATOM 0 HB2 GLN A 59 0.392 -3.440 -29.053 1.00 51.11 H new ATOM 0 HB3 GLN A 59 0.452 -4.805 -30.150 1.00 51.11 H new ATOM 0 HG2 GLN A 59 -0.437 -2.695 -31.761 1.00 52.44 H new ATOM 0 HG3 GLN A 59 0.744 -1.946 -30.705 1.00 52.44 H new ATOM 0 HE21 GLN A 59 2.426 -1.646 -32.100 1.00 30.31 H new ATOM 0 HE22 GLN A 59 3.262 -2.961 -32.932 1.00 30.31 H new ATOM 938 N ILE A 60 -2.043 -5.990 -28.605 1.00 23.21 N ATOM 939 CA ILE A 60 -2.389 -7.394 -28.416 1.00 61.21 C ATOM 940 C ILE A 60 -3.868 -7.638 -28.698 1.00 2.04 C ATOM 941 O ILE A 60 -4.222 -8.427 -29.575 1.00 42.23 O ATOM 942 CB ILE A 60 -2.065 -7.866 -26.987 1.00 43.24 C ATOM 943 CG1 ILE A 60 -0.580 -7.664 -26.683 1.00 24.34 C ATOM 944 CG2 ILE A 60 -2.454 -9.326 -26.810 1.00 3.00 C ATOM 945 CD1 ILE A 60 -0.255 -7.683 -25.206 1.00 70.24 C ATOM 0 H ILE A 60 -1.944 -5.460 -27.739 1.00 23.21 H new ATOM 0 HA ILE A 60 -1.788 -7.966 -29.123 1.00 61.21 H new ATOM 0 HB ILE A 60 -2.644 -7.268 -26.283 1.00 43.24 H new ATOM 0 HG12 ILE A 60 -0.006 -8.445 -27.183 1.00 24.34 H new ATOM 0 HG13 ILE A 60 -0.258 -6.712 -27.105 1.00 24.34 H new ATOM 0 HG21 ILE A 60 -2.219 -9.645 -25.795 1.00 3.00 H new ATOM 0 HG22 ILE A 60 -3.523 -9.442 -26.988 1.00 3.00 H new ATOM 0 HG23 ILE A 60 -1.899 -9.939 -27.520 1.00 3.00 H new ATOM 0 HD11 ILE A 60 0.816 -7.534 -25.067 1.00 70.24 H new ATOM 0 HD12 ILE A 60 -0.801 -6.885 -24.703 1.00 70.24 H new ATOM 0 HD13 ILE A 60 -0.545 -8.644 -24.782 1.00 70.24 H new ATOM 957 N LEU A 61 -4.727 -6.955 -27.949 1.00 1.44 N ATOM 958 CA LEU A 61 -6.169 -7.096 -28.119 1.00 74.11 C ATOM 959 C LEU A 61 -6.576 -6.830 -29.565 1.00 24.22 C ATOM 960 O LEU A 61 -7.586 -7.346 -30.041 1.00 64.54 O ATOM 961 CB LEU A 61 -6.908 -6.137 -27.185 1.00 42.22 C ATOM 962 CG LEU A 61 -6.647 -6.320 -25.690 1.00 2.21 C ATOM 963 CD1 LEU A 61 -7.066 -5.080 -24.918 1.00 44.35 C ATOM 964 CD2 LEU A 61 -7.378 -7.548 -25.168 1.00 3.23 C ATOM 0 H LEU A 61 -4.450 -6.299 -27.219 1.00 1.44 H new ATOM 0 HA LEU A 61 -6.441 -8.121 -27.867 1.00 74.11 H new ATOM 0 HB2 LEU A 61 -6.639 -5.117 -27.458 1.00 42.22 H new ATOM 0 HB3 LEU A 61 -7.978 -6.242 -27.362 1.00 42.22 H new ATOM 0 HG LEU A 61 -5.577 -6.468 -25.544 1.00 2.21 H new ATOM 0 HD11 LEU A 61 -6.872 -5.230 -23.856 1.00 44.35 H new ATOM 0 HD12 LEU A 61 -6.497 -4.221 -25.273 1.00 44.35 H new ATOM 0 HD13 LEU A 61 -8.130 -4.899 -25.071 1.00 44.35 H new ATOM 0 HD21 LEU A 61 -7.181 -7.663 -24.102 1.00 3.23 H new ATOM 0 HD22 LEU A 61 -8.450 -7.429 -25.328 1.00 3.23 H new ATOM 0 HD23 LEU A 61 -7.028 -8.433 -25.699 1.00 3.23 H new ATOM 976 N GLY A 62 -5.778 -6.023 -30.260 1.00 54.44 N ATOM 977 CA GLY A 62 -6.072 -5.705 -31.645 1.00 72.30 C ATOM 978 C GLY A 62 -5.866 -6.890 -32.569 1.00 45.24 C ATOM 979 O GLY A 62 -6.436 -6.940 -33.658 1.00 42.11 O ATOM 0 H GLY A 62 -4.935 -5.585 -29.889 1.00 54.44 H new ATOM 0 HA2 GLY A 62 -7.103 -5.361 -31.725 1.00 72.30 H new ATOM 0 HA3 GLY A 62 -5.436 -4.881 -31.968 1.00 72.30 H new ATOM 983 N GLN A 63 -5.050 -7.843 -32.132 1.00 63.12 N ATOM 984 CA GLN A 63 -4.769 -9.032 -32.928 1.00 54.42 C ATOM 985 C GLN A 63 -5.635 -10.205 -32.479 1.00 74.24 C ATOM 986 O GLN A 63 -5.951 -11.095 -33.270 1.00 61.21 O ATOM 987 CB GLN A 63 -3.290 -9.404 -32.823 1.00 15.53 C ATOM 988 CG GLN A 63 -2.864 -10.486 -33.804 1.00 64.45 C ATOM 989 CD GLN A 63 -1.494 -10.227 -34.399 1.00 4.12 C ATOM 990 OE1 GLN A 63 -0.471 -10.433 -33.744 1.00 51.13 O ATOM 991 NE2 GLN A 63 -1.465 -9.773 -35.646 1.00 11.30 N ATOM 0 H GLN A 63 -4.572 -7.815 -31.231 1.00 63.12 H new ATOM 0 HA GLN A 63 -5.006 -8.807 -33.968 1.00 54.42 H new ATOM 0 HB2 GLN A 63 -2.687 -8.512 -32.993 1.00 15.53 H new ATOM 0 HB3 GLN A 63 -3.080 -9.742 -31.808 1.00 15.53 H new ATOM 0 HG2 GLN A 63 -2.859 -11.450 -33.296 1.00 64.45 H new ATOM 0 HG3 GLN A 63 -3.598 -10.553 -34.607 1.00 64.45 H new ATOM 0 HE21 GLN A 63 -2.337 -9.616 -36.152 1.00 11.30 H new ATOM 0 HE22 GLN A 63 -0.571 -9.581 -36.098 1.00 11.30 H new ATOM 1000 N LEU A 64 -6.015 -10.200 -31.206 1.00 71.23 N ATOM 1001 CA LEU A 64 -6.843 -11.264 -30.651 1.00 12.40 C ATOM 1002 C LEU A 64 -8.325 -10.973 -30.872 1.00 63.30 C ATOM 1003 O LEU A 64 -9.145 -11.888 -30.932 1.00 33.33 O ATOM 1004 CB LEU A 64 -6.562 -11.429 -29.157 1.00 12.13 C ATOM 1005 CG LEU A 64 -5.204 -12.030 -28.792 1.00 64.20 C ATOM 1006 CD1 LEU A 64 -5.026 -12.070 -27.282 1.00 72.23 C ATOM 1007 CD2 LEU A 64 -5.061 -13.424 -29.384 1.00 34.53 C ATOM 0 H LEU A 64 -5.763 -9.471 -30.539 1.00 71.23 H new ATOM 0 HA LEU A 64 -6.593 -12.191 -31.166 1.00 12.40 H new ATOM 0 HB2 LEU A 64 -6.644 -10.451 -28.682 1.00 12.13 H new ATOM 0 HB3 LEU A 64 -7.342 -12.058 -28.728 1.00 12.13 H new ATOM 0 HG LEU A 64 -4.423 -11.396 -29.213 1.00 64.20 H new ATOM 0 HD11 LEU A 64 -4.054 -12.501 -27.041 1.00 72.23 H new ATOM 0 HD12 LEU A 64 -5.083 -11.058 -26.882 1.00 72.23 H new ATOM 0 HD13 LEU A 64 -5.813 -12.680 -26.839 1.00 72.23 H new ATOM 0 HD21 LEU A 64 -4.089 -13.836 -29.114 1.00 34.53 H new ATOM 0 HD22 LEU A 64 -5.849 -14.068 -28.993 1.00 34.53 H new ATOM 0 HD23 LEU A 64 -5.143 -13.368 -30.470 1.00 34.53 H new ATOM 1019 N GLN A 65 -8.658 -9.692 -30.995 1.00 61.53 N ATOM 1020 CA GLN A 65 -10.040 -9.281 -31.211 1.00 75.43 C ATOM 1021 C GLN A 65 -10.655 -10.033 -32.387 1.00 62.21 C ATOM 1022 O GLN A 65 -11.629 -10.771 -32.242 1.00 42.14 O ATOM 1023 CB GLN A 65 -10.113 -7.773 -31.461 1.00 24.42 C ATOM 1024 CG GLN A 65 -10.470 -6.967 -30.223 1.00 42.11 C ATOM 1025 CD GLN A 65 -10.358 -5.472 -30.447 1.00 40.52 C ATOM 1026 OE1 GLN A 65 -11.175 -4.876 -31.149 1.00 71.52 O ATOM 1027 NE2 GLN A 65 -9.345 -4.857 -29.848 1.00 13.42 N ATOM 0 H GLN A 65 -7.991 -8.922 -30.949 1.00 61.53 H new ATOM 0 HA GLN A 65 -10.608 -9.522 -30.312 1.00 75.43 H new ATOM 0 HB2 GLN A 65 -9.152 -7.430 -31.843 1.00 24.42 H new ATOM 0 HB3 GLN A 65 -10.853 -7.577 -32.237 1.00 24.42 H new ATOM 0 HG2 GLN A 65 -11.488 -7.209 -29.917 1.00 42.11 H new ATOM 0 HG3 GLN A 65 -9.813 -7.258 -29.403 1.00 42.11 H new ATOM 0 HE21 GLN A 65 -8.691 -5.391 -29.275 1.00 13.42 H new ATOM 0 HE22 GLN A 65 -9.221 -3.851 -29.961 1.00 13.42 H new ATOM 1036 N PRO A 66 -10.073 -9.842 -33.580 1.00 14.23 N ATOM 1037 CA PRO A 66 -10.546 -10.495 -34.805 1.00 42.22 C ATOM 1038 C PRO A 66 -10.279 -11.996 -34.803 1.00 21.44 C ATOM 1039 O PRO A 66 -10.866 -12.742 -35.585 1.00 32.31 O ATOM 1040 CB PRO A 66 -9.738 -9.809 -35.909 1.00 42.03 C ATOM 1041 CG PRO A 66 -8.500 -9.332 -35.230 1.00 73.14 C ATOM 1042 CD PRO A 66 -8.907 -8.977 -33.827 1.00 43.41 C ATOM 0 HA PRO A 66 -11.625 -10.399 -34.926 1.00 42.22 H new ATOM 0 HB2 PRO A 66 -9.504 -10.502 -36.718 1.00 42.03 H new ATOM 0 HB3 PRO A 66 -10.293 -8.980 -36.349 1.00 42.03 H new ATOM 0 HG2 PRO A 66 -7.732 -10.106 -35.230 1.00 73.14 H new ATOM 0 HG3 PRO A 66 -8.081 -8.468 -35.745 1.00 73.14 H new ATOM 0 HD2 PRO A 66 -8.105 -9.171 -33.115 1.00 43.41 H new ATOM 0 HD3 PRO A 66 -9.164 -7.921 -33.738 1.00 43.41 H new ATOM 1050 N SER A 67 -9.386 -12.432 -33.919 1.00 43.44 N ATOM 1051 CA SER A 67 -9.038 -13.845 -33.818 1.00 71.22 C ATOM 1052 C SER A 67 -9.785 -14.507 -32.665 1.00 62.01 C ATOM 1053 O SER A 67 -9.322 -15.497 -32.096 1.00 24.52 O ATOM 1054 CB SER A 67 -7.529 -14.006 -33.623 1.00 31.34 C ATOM 1055 OG SER A 67 -6.848 -13.973 -34.866 1.00 44.14 O ATOM 0 H SER A 67 -8.891 -11.828 -33.263 1.00 43.44 H new ATOM 0 HA SER A 67 -9.332 -14.335 -34.746 1.00 71.22 H new ATOM 0 HB2 SER A 67 -7.155 -13.210 -32.979 1.00 31.34 H new ATOM 0 HB3 SER A 67 -7.323 -14.949 -33.117 1.00 31.34 H new ATOM 0 HG SER A 67 -5.885 -14.076 -34.714 1.00 44.14 H new ATOM 1061 N LEU A 68 -10.944 -13.955 -32.324 1.00 13.41 N ATOM 1062 CA LEU A 68 -11.758 -14.491 -31.238 1.00 22.14 C ATOM 1063 C LEU A 68 -12.659 -15.616 -31.738 1.00 54.42 C ATOM 1064 O LEU A 68 -12.985 -16.540 -30.993 1.00 52.20 O ATOM 1065 CB LEU A 68 -12.606 -13.382 -30.614 1.00 21.24 C ATOM 1066 CG LEU A 68 -11.991 -12.664 -29.411 1.00 75.33 C ATOM 1067 CD1 LEU A 68 -12.701 -11.343 -29.160 1.00 71.41 C ATOM 1068 CD2 LEU A 68 -12.051 -13.548 -28.174 1.00 20.30 C ATOM 0 H LEU A 68 -11.342 -13.136 -32.784 1.00 13.41 H new ATOM 0 HA LEU A 68 -11.088 -14.896 -30.480 1.00 22.14 H new ATOM 0 HB2 LEU A 68 -12.822 -12.640 -31.383 1.00 21.24 H new ATOM 0 HB3 LEU A 68 -13.560 -13.810 -30.307 1.00 21.24 H new ATOM 0 HG LEU A 68 -10.944 -12.455 -29.632 1.00 75.33 H new ATOM 0 HD11 LEU A 68 -12.251 -10.846 -28.301 1.00 71.41 H new ATOM 0 HD12 LEU A 68 -12.606 -10.706 -30.039 1.00 71.41 H new ATOM 0 HD13 LEU A 68 -13.756 -11.529 -28.960 1.00 71.41 H new ATOM 0 HD21 LEU A 68 -11.609 -13.021 -27.328 1.00 20.30 H new ATOM 0 HD22 LEU A 68 -13.090 -13.789 -27.949 1.00 20.30 H new ATOM 0 HD23 LEU A 68 -11.497 -14.469 -28.357 1.00 20.30 H new ATOM 1080 N GLN A 69 -13.056 -15.531 -33.003 1.00 13.32 N ATOM 1081 CA GLN A 69 -13.919 -16.544 -33.602 1.00 22.10 C ATOM 1082 C GLN A 69 -13.114 -17.776 -34.002 1.00 53.51 C ATOM 1083 O GLN A 69 -13.582 -18.907 -33.863 1.00 31.14 O ATOM 1084 CB GLN A 69 -14.639 -15.972 -34.824 1.00 62.21 C ATOM 1085 CG GLN A 69 -15.580 -16.960 -35.493 1.00 73.23 C ATOM 1086 CD GLN A 69 -17.040 -16.647 -35.230 1.00 4.31 C ATOM 1087 OE1 GLN A 69 -17.687 -17.300 -34.410 1.00 71.15 O ATOM 1088 NE2 GLN A 69 -17.566 -15.645 -35.923 1.00 54.12 N ATOM 0 H GLN A 69 -12.795 -14.773 -33.633 1.00 13.32 H new ATOM 0 HA GLN A 69 -14.659 -16.841 -32.859 1.00 22.10 H new ATOM 0 HB2 GLN A 69 -15.205 -15.091 -34.522 1.00 62.21 H new ATOM 0 HB3 GLN A 69 -13.897 -15.641 -35.550 1.00 62.21 H new ATOM 0 HG2 GLN A 69 -15.400 -16.956 -36.568 1.00 73.23 H new ATOM 0 HG3 GLN A 69 -15.358 -17.966 -35.136 1.00 73.23 H new ATOM 0 HE21 GLN A 69 -16.993 -15.131 -36.592 1.00 54.12 H new ATOM 0 HE22 GLN A 69 -18.544 -15.389 -35.787 1.00 54.12 H new ATOM 1097 N THR A 70 -11.903 -17.551 -34.501 1.00 61.41 N ATOM 1098 CA THR A 70 -11.035 -18.643 -34.923 1.00 44.21 C ATOM 1099 C THR A 70 -10.016 -18.984 -33.842 1.00 4.33 C ATOM 1100 O THR A 70 -8.904 -19.419 -34.138 1.00 4.21 O ATOM 1101 CB THR A 70 -10.288 -18.296 -36.224 1.00 63.24 C ATOM 1102 OG1 THR A 70 -9.469 -17.137 -36.025 1.00 14.42 O ATOM 1103 CG2 THR A 70 -11.268 -18.041 -37.359 1.00 52.10 C ATOM 0 H THR A 70 -11.501 -16.622 -34.623 1.00 61.41 H new ATOM 0 HA THR A 70 -11.677 -19.506 -35.100 1.00 44.21 H new ATOM 0 HB THR A 70 -9.658 -19.144 -36.492 1.00 63.24 H new ATOM 0 HG1 THR A 70 -8.996 -16.924 -36.856 1.00 14.42 H new ATOM 0 HG21 THR A 70 -10.717 -17.798 -38.268 1.00 52.10 H new ATOM 0 HG22 THR A 70 -11.870 -18.934 -37.528 1.00 52.10 H new ATOM 0 HG23 THR A 70 -11.920 -17.208 -37.096 1.00 52.10 H new ATOM 1111 N GLY A 71 -10.404 -18.785 -32.585 1.00 0.51 N ATOM 1112 CA GLY A 71 -9.513 -19.079 -31.478 1.00 44.01 C ATOM 1113 C GLY A 71 -9.954 -20.292 -30.684 1.00 52.31 C ATOM 1114 O GLY A 71 -10.944 -20.938 -31.024 1.00 41.52 O ATOM 0 H GLY A 71 -11.319 -18.425 -32.314 1.00 0.51 H new ATOM 0 HA2 GLY A 71 -8.506 -19.246 -31.861 1.00 44.01 H new ATOM 0 HA3 GLY A 71 -9.463 -18.214 -30.816 1.00 44.01 H new ATOM 1118 N SER A 72 -9.216 -20.603 -29.623 1.00 62.11 N ATOM 1119 CA SER A 72 -9.534 -21.751 -28.781 1.00 71.32 C ATOM 1120 C SER A 72 -9.539 -21.358 -27.307 1.00 61.45 C ATOM 1121 O SER A 72 -9.443 -20.179 -26.968 1.00 24.30 O ATOM 1122 CB SER A 72 -8.526 -22.878 -29.016 1.00 53.13 C ATOM 1123 OG SER A 72 -7.254 -22.543 -28.488 1.00 53.30 O ATOM 0 H SER A 72 -8.394 -20.077 -29.326 1.00 62.11 H new ATOM 0 HA SER A 72 -10.530 -22.102 -29.050 1.00 71.32 H new ATOM 0 HB2 SER A 72 -8.886 -23.795 -28.550 1.00 53.13 H new ATOM 0 HB3 SER A 72 -8.439 -23.076 -30.084 1.00 53.13 H new ATOM 0 HG SER A 72 -6.628 -23.280 -28.649 1.00 53.30 H new ATOM 1129 N GLU A 73 -9.652 -22.355 -26.435 1.00 34.21 N ATOM 1130 CA GLU A 73 -9.671 -22.114 -24.998 1.00 2.23 C ATOM 1131 C GLU A 73 -8.432 -21.339 -24.559 1.00 73.20 C ATOM 1132 O GLU A 73 -8.454 -20.630 -23.554 1.00 1.40 O ATOM 1133 CB GLU A 73 -9.753 -23.439 -24.237 1.00 21.11 C ATOM 1134 CG GLU A 73 -10.530 -23.347 -22.935 1.00 64.00 C ATOM 1135 CD GLU A 73 -11.977 -22.947 -23.146 1.00 1.40 C ATOM 1136 OE1 GLU A 73 -12.574 -23.391 -24.149 1.00 73.20 O ATOM 1137 OE2 GLU A 73 -12.513 -22.191 -22.309 1.00 71.11 O ATOM 0 H GLU A 73 -9.732 -23.337 -26.699 1.00 34.21 H new ATOM 0 HA GLU A 73 -10.553 -21.516 -24.768 1.00 2.23 H new ATOM 0 HB2 GLU A 73 -10.221 -24.187 -24.877 1.00 21.11 H new ATOM 0 HB3 GLU A 73 -8.743 -23.788 -24.023 1.00 21.11 H new ATOM 0 HG2 GLU A 73 -10.494 -24.310 -22.426 1.00 64.00 H new ATOM 0 HG3 GLU A 73 -10.048 -22.622 -22.279 1.00 64.00 H new ATOM 1144 N GLU A 74 -7.352 -21.481 -25.322 1.00 61.45 N ATOM 1145 CA GLU A 74 -6.103 -20.795 -25.012 1.00 34.11 C ATOM 1146 C GLU A 74 -6.202 -19.309 -25.345 1.00 32.33 C ATOM 1147 O GLU A 74 -5.648 -18.464 -24.639 1.00 2.44 O ATOM 1148 CB GLU A 74 -4.943 -21.427 -25.785 1.00 72.04 C ATOM 1149 CG GLU A 74 -3.860 -22.006 -24.890 1.00 11.23 C ATOM 1150 CD GLU A 74 -4.207 -23.390 -24.376 1.00 15.32 C ATOM 1151 OE1 GLU A 74 -4.326 -24.317 -25.205 1.00 0.30 O ATOM 1152 OE2 GLU A 74 -4.361 -23.546 -23.147 1.00 53.44 O ATOM 0 H GLU A 74 -7.317 -22.064 -26.158 1.00 61.45 H new ATOM 0 HA GLU A 74 -5.916 -20.898 -23.943 1.00 34.11 H new ATOM 0 HB2 GLU A 74 -5.333 -22.217 -26.427 1.00 72.04 H new ATOM 0 HB3 GLU A 74 -4.500 -20.675 -26.438 1.00 72.04 H new ATOM 0 HG2 GLU A 74 -2.922 -22.053 -25.444 1.00 11.23 H new ATOM 0 HG3 GLU A 74 -3.697 -21.338 -24.044 1.00 11.23 H new ATOM 1159 N LEU A 75 -6.908 -18.996 -26.426 1.00 50.45 N ATOM 1160 CA LEU A 75 -7.080 -17.612 -26.854 1.00 24.53 C ATOM 1161 C LEU A 75 -8.018 -16.864 -25.913 1.00 61.54 C ATOM 1162 O LEU A 75 -7.715 -15.755 -25.473 1.00 44.45 O ATOM 1163 CB LEU A 75 -7.624 -17.564 -28.283 1.00 44.13 C ATOM 1164 CG LEU A 75 -7.322 -16.290 -29.073 1.00 4.22 C ATOM 1165 CD1 LEU A 75 -6.896 -16.631 -30.492 1.00 61.12 C ATOM 1166 CD2 LEU A 75 -8.534 -15.369 -29.084 1.00 31.41 C ATOM 0 H LEU A 75 -7.371 -19.682 -27.022 1.00 50.45 H new ATOM 0 HA LEU A 75 -6.106 -17.124 -26.827 1.00 24.53 H new ATOM 0 HB2 LEU A 75 -7.219 -18.413 -28.833 1.00 44.13 H new ATOM 0 HB3 LEU A 75 -8.705 -17.696 -28.244 1.00 44.13 H new ATOM 0 HG LEU A 75 -6.499 -15.768 -28.584 1.00 4.22 H new ATOM 0 HD11 LEU A 75 -6.685 -15.712 -31.039 1.00 61.12 H new ATOM 0 HD12 LEU A 75 -6.000 -17.250 -30.464 1.00 61.12 H new ATOM 0 HD13 LEU A 75 -7.697 -17.175 -30.992 1.00 61.12 H new ATOM 0 HD21 LEU A 75 -8.301 -14.468 -29.651 1.00 31.41 H new ATOM 0 HD22 LEU A 75 -9.376 -15.882 -29.548 1.00 31.41 H new ATOM 0 HD23 LEU A 75 -8.794 -15.097 -28.061 1.00 31.41 H new ATOM 1178 N ARG A 76 -9.157 -17.477 -25.610 1.00 51.00 N ATOM 1179 CA ARG A 76 -10.139 -16.869 -24.721 1.00 43.23 C ATOM 1180 C ARG A 76 -9.489 -16.428 -23.412 1.00 75.44 C ATOM 1181 O ARG A 76 -9.668 -15.293 -22.971 1.00 50.21 O ATOM 1182 CB ARG A 76 -11.275 -17.852 -24.432 1.00 14.41 C ATOM 1183 CG ARG A 76 -12.654 -17.212 -24.446 1.00 22.40 C ATOM 1184 CD ARG A 76 -13.052 -16.718 -23.064 1.00 15.13 C ATOM 1185 NE ARG A 76 -13.297 -17.821 -22.138 1.00 74.12 N ATOM 1186 CZ ARG A 76 -13.667 -17.650 -20.874 1.00 3.11 C ATOM 1187 NH1 ARG A 76 -13.833 -16.428 -20.387 1.00 24.35 N ATOM 1188 NH2 ARG A 76 -13.871 -18.704 -20.094 1.00 23.33 N ATOM 0 H ARG A 76 -9.423 -18.395 -25.967 1.00 51.00 H new ATOM 0 HA ARG A 76 -10.546 -15.989 -25.219 1.00 43.23 H new ATOM 0 HB2 ARG A 76 -11.248 -18.653 -25.171 1.00 14.41 H new ATOM 0 HB3 ARG A 76 -11.107 -18.312 -23.458 1.00 14.41 H new ATOM 0 HG2 ARG A 76 -12.662 -16.378 -25.148 1.00 22.40 H new ATOM 0 HG3 ARG A 76 -13.388 -17.935 -24.801 1.00 22.40 H new ATOM 0 HD2 ARG A 76 -12.263 -16.079 -22.666 1.00 15.13 H new ATOM 0 HD3 ARG A 76 -13.950 -16.105 -23.143 1.00 15.13 H new ATOM 0 HE ARG A 76 -13.177 -18.774 -22.481 1.00 74.12 H new ATOM 0 HH11 ARG A 76 -13.676 -15.616 -20.984 1.00 24.35 H new ATOM 0 HH12 ARG A 76 -14.117 -16.300 -19.416 1.00 24.35 H new ATOM 0 HH21 ARG A 76 -13.744 -19.645 -20.465 1.00 23.33 H new ATOM 0 HH22 ARG A 76 -14.155 -18.573 -19.123 1.00 23.33 H new ATOM 1202 N SER A 77 -8.734 -17.333 -22.798 1.00 54.42 N ATOM 1203 CA SER A 77 -8.061 -17.039 -21.538 1.00 22.12 C ATOM 1204 C SER A 77 -7.241 -15.757 -21.647 1.00 54.21 C ATOM 1205 O SER A 77 -7.315 -14.883 -20.782 1.00 53.11 O ATOM 1206 CB SER A 77 -7.156 -18.205 -21.135 1.00 72.32 C ATOM 1207 OG SER A 77 -7.825 -19.089 -20.254 1.00 34.02 O ATOM 0 H SER A 77 -8.573 -18.276 -23.152 1.00 54.42 H new ATOM 0 HA SER A 77 -8.823 -16.898 -20.771 1.00 22.12 H new ATOM 0 HB2 SER A 77 -6.837 -18.747 -22.026 1.00 72.32 H new ATOM 0 HB3 SER A 77 -6.255 -17.821 -20.656 1.00 72.32 H new ATOM 0 HG SER A 77 -7.226 -19.826 -20.013 1.00 34.02 H new ATOM 1213 N LEU A 78 -6.459 -15.651 -22.716 1.00 11.52 N ATOM 1214 CA LEU A 78 -5.624 -14.476 -22.940 1.00 4.31 C ATOM 1215 C LEU A 78 -6.469 -13.206 -22.968 1.00 24.34 C ATOM 1216 O LEU A 78 -6.237 -12.278 -22.192 1.00 70.33 O ATOM 1217 CB LEU A 78 -4.851 -14.617 -24.252 1.00 12.53 C ATOM 1218 CG LEU A 78 -3.372 -14.982 -24.124 1.00 42.24 C ATOM 1219 CD1 LEU A 78 -2.640 -13.949 -23.281 1.00 21.24 C ATOM 1220 CD2 LEU A 78 -3.215 -16.372 -23.525 1.00 64.40 C ATOM 0 H LEU A 78 -6.386 -16.365 -23.441 1.00 11.52 H new ATOM 0 HA LEU A 78 -4.915 -14.402 -22.115 1.00 4.31 H new ATOM 0 HB2 LEU A 78 -5.341 -15.378 -24.859 1.00 12.53 H new ATOM 0 HB3 LEU A 78 -4.927 -13.676 -24.798 1.00 12.53 H new ATOM 0 HG LEU A 78 -2.930 -14.987 -25.120 1.00 42.24 H new ATOM 0 HD11 LEU A 78 -1.588 -14.224 -23.200 1.00 21.24 H new ATOM 0 HD12 LEU A 78 -2.723 -12.970 -23.752 1.00 21.24 H new ATOM 0 HD13 LEU A 78 -3.083 -13.912 -22.286 1.00 21.24 H new ATOM 0 HD21 LEU A 78 -2.156 -16.615 -23.441 1.00 64.40 H new ATOM 0 HD22 LEU A 78 -3.672 -16.396 -22.536 1.00 64.40 H new ATOM 0 HD23 LEU A 78 -3.705 -17.103 -24.168 1.00 64.40 H new ATOM 1232 N TYR A 79 -7.448 -13.173 -23.864 1.00 64.52 N ATOM 1233 CA TYR A 79 -8.326 -12.016 -23.993 1.00 55.12 C ATOM 1234 C TYR A 79 -8.924 -11.632 -22.642 1.00 71.33 C ATOM 1235 O TYR A 79 -9.213 -10.463 -22.389 1.00 65.20 O ATOM 1236 CB TYR A 79 -9.446 -12.308 -24.993 1.00 22.32 C ATOM 1237 CG TYR A 79 -9.979 -11.073 -25.683 1.00 53.11 C ATOM 1238 CD1 TYR A 79 -9.143 -10.257 -26.436 1.00 0.13 C ATOM 1239 CD2 TYR A 79 -11.320 -10.721 -25.582 1.00 21.34 C ATOM 1240 CE1 TYR A 79 -9.626 -9.128 -27.067 1.00 21.44 C ATOM 1241 CE2 TYR A 79 -11.811 -9.593 -26.210 1.00 14.04 C ATOM 1242 CZ TYR A 79 -10.961 -8.801 -26.952 1.00 62.22 C ATOM 1243 OH TYR A 79 -11.447 -7.676 -27.579 1.00 71.51 O ATOM 0 H TYR A 79 -7.654 -13.934 -24.512 1.00 64.52 H new ATOM 0 HA TYR A 79 -7.730 -11.179 -24.358 1.00 55.12 H new ATOM 0 HB2 TYR A 79 -9.077 -13.004 -25.746 1.00 22.32 H new ATOM 0 HB3 TYR A 79 -10.265 -12.806 -24.473 1.00 22.32 H new ATOM 0 HD1 TYR A 79 -8.097 -10.511 -26.529 1.00 0.13 H new ATOM 0 HD2 TYR A 79 -11.989 -11.340 -25.003 1.00 21.34 H new ATOM 0 HE1 TYR A 79 -8.962 -8.504 -27.647 1.00 21.44 H new ATOM 0 HE2 TYR A 79 -12.855 -9.333 -26.120 1.00 14.04 H new ATOM 0 HH TYR A 79 -12.406 -7.590 -27.399 1.00 71.51 H new ATOM 1253 N ASN A 80 -9.105 -12.626 -21.779 1.00 73.22 N ATOM 1254 CA ASN A 80 -9.667 -12.394 -20.453 1.00 74.14 C ATOM 1255 C ASN A 80 -8.700 -11.596 -19.584 1.00 32.20 C ATOM 1256 O ASN A 80 -9.075 -10.591 -18.979 1.00 73.34 O ATOM 1257 CB ASN A 80 -9.999 -13.726 -19.777 1.00 73.04 C ATOM 1258 CG ASN A 80 -11.493 -13.974 -19.692 1.00 4.43 C ATOM 1259 OD1 ASN A 80 -12.264 -13.475 -20.511 1.00 5.24 O ATOM 1260 ND2 ASN A 80 -11.907 -14.749 -18.696 1.00 11.31 N ATOM 0 H ASN A 80 -8.871 -13.600 -21.974 1.00 73.22 H new ATOM 0 HA ASN A 80 -10.583 -11.816 -20.570 1.00 74.14 H new ATOM 0 HB2 ASN A 80 -9.529 -14.539 -20.331 1.00 73.04 H new ATOM 0 HB3 ASN A 80 -9.574 -13.737 -18.773 1.00 73.04 H new ATOM 0 HD21 ASN A 80 -12.901 -14.952 -18.587 1.00 11.31 H new ATOM 0 HD22 ASN A 80 -11.231 -15.141 -18.040 1.00 11.31 H new ATOM 1267 N THR A 81 -7.452 -12.051 -19.527 1.00 64.31 N ATOM 1268 CA THR A 81 -6.431 -11.381 -18.732 1.00 64.43 C ATOM 1269 C THR A 81 -6.046 -10.040 -19.347 1.00 21.14 C ATOM 1270 O THR A 81 -6.095 -9.004 -18.683 1.00 41.54 O ATOM 1271 CB THR A 81 -5.168 -12.250 -18.592 1.00 25.25 C ATOM 1272 OG1 THR A 81 -5.519 -13.555 -18.119 1.00 40.42 O ATOM 1273 CG2 THR A 81 -4.172 -11.610 -17.636 1.00 1.41 C ATOM 0 H THR A 81 -7.125 -12.881 -20.022 1.00 64.31 H new ATOM 0 HA THR A 81 -6.860 -11.214 -17.744 1.00 64.43 H new ATOM 0 HB THR A 81 -4.703 -12.333 -19.574 1.00 25.25 H new ATOM 0 HG1 THR A 81 -4.710 -14.101 -18.035 1.00 40.42 H new ATOM 0 HG21 THR A 81 -3.288 -12.243 -17.554 1.00 1.41 H new ATOM 0 HG22 THR A 81 -3.882 -10.630 -18.015 1.00 1.41 H new ATOM 0 HG23 THR A 81 -4.631 -11.498 -16.654 1.00 1.41 H new ATOM 1281 N ILE A 82 -5.664 -10.067 -20.620 1.00 63.11 N ATOM 1282 CA ILE A 82 -5.273 -8.852 -21.324 1.00 12.25 C ATOM 1283 C ILE A 82 -6.338 -7.770 -21.188 1.00 53.33 C ATOM 1284 O ILE A 82 -6.032 -6.578 -21.202 1.00 53.35 O ATOM 1285 CB ILE A 82 -5.022 -9.125 -22.820 1.00 2.50 C ATOM 1286 CG1 ILE A 82 -3.932 -10.185 -22.991 1.00 63.41 C ATOM 1287 CG2 ILE A 82 -4.636 -7.839 -23.535 1.00 54.54 C ATOM 1288 CD1 ILE A 82 -3.923 -10.827 -24.360 1.00 55.41 C ATOM 0 H ILE A 82 -5.617 -10.916 -21.184 1.00 63.11 H new ATOM 0 HA ILE A 82 -4.347 -8.506 -20.865 1.00 12.25 H new ATOM 0 HB ILE A 82 -5.942 -9.503 -23.265 1.00 2.50 H new ATOM 0 HG12 ILE A 82 -2.960 -9.728 -22.807 1.00 63.41 H new ATOM 0 HG13 ILE A 82 -4.068 -10.960 -22.236 1.00 63.41 H new ATOM 0 HG21 ILE A 82 -4.462 -8.048 -24.591 1.00 54.54 H new ATOM 0 HG22 ILE A 82 -5.442 -7.112 -23.437 1.00 54.54 H new ATOM 0 HG23 ILE A 82 -3.727 -7.434 -23.090 1.00 54.54 H new ATOM 0 HD11 ILE A 82 -3.125 -11.568 -24.409 1.00 55.41 H new ATOM 0 HD12 ILE A 82 -4.882 -11.314 -24.540 1.00 55.41 H new ATOM 0 HD13 ILE A 82 -3.756 -10.063 -25.119 1.00 55.41 H new ATOM 1300 N ALA A 83 -7.591 -8.194 -21.056 1.00 62.41 N ATOM 1301 CA ALA A 83 -8.703 -7.262 -20.913 1.00 25.52 C ATOM 1302 C ALA A 83 -8.682 -6.589 -19.544 1.00 13.51 C ATOM 1303 O ALA A 83 -8.471 -5.381 -19.438 1.00 1.20 O ATOM 1304 CB ALA A 83 -10.026 -7.980 -21.131 1.00 21.34 C ATOM 0 H ALA A 83 -7.861 -9.177 -21.045 1.00 62.41 H new ATOM 0 HA ALA A 83 -8.595 -6.487 -21.672 1.00 25.52 H new ATOM 0 HB1 ALA A 83 -10.847 -7.271 -21.021 1.00 21.34 H new ATOM 0 HB2 ALA A 83 -10.047 -8.407 -22.134 1.00 21.34 H new ATOM 0 HB3 ALA A 83 -10.133 -8.777 -20.395 1.00 21.34 H new ATOM 1310 N VAL A 84 -8.905 -7.380 -18.498 1.00 73.41 N ATOM 1311 CA VAL A 84 -8.912 -6.861 -17.136 1.00 22.03 C ATOM 1312 C VAL A 84 -7.650 -6.056 -16.848 1.00 73.22 C ATOM 1313 O VAL A 84 -7.693 -5.042 -16.150 1.00 62.14 O ATOM 1314 CB VAL A 84 -9.029 -7.997 -16.104 1.00 10.22 C ATOM 1315 CG1 VAL A 84 -9.096 -7.433 -14.693 1.00 54.51 C ATOM 1316 CG2 VAL A 84 -10.246 -8.862 -16.399 1.00 52.10 C ATOM 0 H VAL A 84 -9.083 -8.382 -18.569 1.00 73.41 H new ATOM 0 HA VAL A 84 -9.782 -6.210 -17.050 1.00 22.03 H new ATOM 0 HB VAL A 84 -8.140 -8.623 -16.177 1.00 10.22 H new ATOM 0 HG11 VAL A 84 -9.178 -8.251 -13.978 1.00 54.51 H new ATOM 0 HG12 VAL A 84 -8.192 -6.860 -14.487 1.00 54.51 H new ATOM 0 HG13 VAL A 84 -9.966 -6.783 -14.602 1.00 54.51 H new ATOM 0 HG21 VAL A 84 -10.313 -9.660 -15.660 1.00 52.10 H new ATOM 0 HG22 VAL A 84 -11.147 -8.250 -16.355 1.00 52.10 H new ATOM 0 HG23 VAL A 84 -10.151 -9.297 -17.394 1.00 52.10 H new ATOM 1326 N LEU A 85 -6.527 -6.513 -17.390 1.00 25.33 N ATOM 1327 CA LEU A 85 -5.250 -5.835 -17.192 1.00 55.32 C ATOM 1328 C LEU A 85 -5.236 -4.483 -17.897 1.00 53.34 C ATOM 1329 O LEU A 85 -4.966 -3.452 -17.280 1.00 72.01 O ATOM 1330 CB LEU A 85 -4.103 -6.705 -17.710 1.00 62.53 C ATOM 1331 CG LEU A 85 -2.799 -6.639 -16.913 1.00 41.24 C ATOM 1332 CD1 LEU A 85 -2.488 -7.990 -16.288 1.00 24.43 C ATOM 1333 CD2 LEU A 85 -1.652 -6.184 -17.804 1.00 4.34 C ATOM 0 H LEU A 85 -6.474 -7.350 -17.970 1.00 25.33 H new ATOM 0 HA LEU A 85 -5.117 -5.668 -16.123 1.00 55.32 H new ATOM 0 HB2 LEU A 85 -4.440 -7.741 -17.732 1.00 62.53 H new ATOM 0 HB3 LEU A 85 -3.891 -6.417 -18.740 1.00 62.53 H new ATOM 0 HG LEU A 85 -2.921 -5.910 -16.112 1.00 41.24 H new ATOM 0 HD11 LEU A 85 -1.557 -7.925 -15.725 1.00 24.43 H new ATOM 0 HD12 LEU A 85 -3.298 -8.276 -15.618 1.00 24.43 H new ATOM 0 HD13 LEU A 85 -2.385 -8.739 -17.073 1.00 24.43 H new ATOM 0 HD21 LEU A 85 -0.732 -6.143 -17.220 1.00 4.34 H new ATOM 0 HD22 LEU A 85 -1.529 -6.889 -18.626 1.00 4.34 H new ATOM 0 HD23 LEU A 85 -1.873 -5.194 -18.204 1.00 4.34 H new ATOM 1345 N TYR A 86 -5.533 -4.494 -19.192 1.00 63.42 N ATOM 1346 CA TYR A 86 -5.555 -3.268 -19.982 1.00 44.03 C ATOM 1347 C TYR A 86 -6.430 -2.209 -19.318 1.00 72.52 C ATOM 1348 O TYR A 86 -6.029 -1.052 -19.183 1.00 74.01 O ATOM 1349 CB TYR A 86 -6.065 -3.556 -21.394 1.00 61.25 C ATOM 1350 CG TYR A 86 -6.305 -2.309 -22.217 1.00 10.20 C ATOM 1351 CD1 TYR A 86 -5.280 -1.732 -22.955 1.00 55.20 C ATOM 1352 CD2 TYR A 86 -7.559 -1.711 -22.255 1.00 63.24 C ATOM 1353 CE1 TYR A 86 -5.497 -0.593 -23.708 1.00 24.02 C ATOM 1354 CE2 TYR A 86 -7.784 -0.573 -23.006 1.00 40.22 C ATOM 1355 CZ TYR A 86 -6.749 -0.018 -23.729 1.00 50.11 C ATOM 1356 OH TYR A 86 -6.969 1.116 -24.478 1.00 61.41 O ATOM 0 H TYR A 86 -5.762 -5.338 -19.717 1.00 63.42 H new ATOM 0 HA TYR A 86 -4.536 -2.886 -20.043 1.00 44.03 H new ATOM 0 HB2 TYR A 86 -5.343 -4.189 -21.910 1.00 61.25 H new ATOM 0 HB3 TYR A 86 -6.994 -4.122 -21.327 1.00 61.25 H new ATOM 0 HD1 TYR A 86 -4.297 -2.180 -22.941 1.00 55.20 H new ATOM 0 HD2 TYR A 86 -8.371 -2.143 -21.688 1.00 63.24 H new ATOM 0 HE1 TYR A 86 -4.689 -0.156 -24.277 1.00 24.02 H new ATOM 0 HE2 TYR A 86 -8.765 -0.121 -23.027 1.00 40.22 H new ATOM 0 HH TYR A 86 -7.904 1.393 -24.385 1.00 61.41 H new ATOM 1366 N CYS A 87 -7.626 -2.613 -18.907 1.00 45.34 N ATOM 1367 CA CYS A 87 -8.560 -1.699 -18.258 1.00 41.32 C ATOM 1368 C CYS A 87 -7.892 -0.976 -17.093 1.00 63.23 C ATOM 1369 O CYS A 87 -7.995 0.245 -16.966 1.00 61.21 O ATOM 1370 CB CYS A 87 -9.790 -2.461 -17.761 1.00 34.42 C ATOM 1371 SG CYS A 87 -11.059 -2.716 -19.024 1.00 43.32 S ATOM 0 H CYS A 87 -7.972 -3.567 -19.011 1.00 45.34 H new ATOM 0 HA CYS A 87 -8.873 -0.957 -18.993 1.00 41.32 H new ATOM 0 HB2 CYS A 87 -9.473 -3.431 -17.378 1.00 34.42 H new ATOM 0 HB3 CYS A 87 -10.229 -1.916 -16.925 1.00 34.42 H new ATOM 0 HG CYS A 87 -12.229 -2.762 -18.460 1.00 43.32 H new ATOM 1377 N VAL A 88 -7.209 -1.736 -16.244 1.00 22.02 N ATOM 1378 CA VAL A 88 -6.524 -1.167 -15.089 1.00 34.42 C ATOM 1379 C VAL A 88 -5.552 -0.071 -15.511 1.00 74.51 C ATOM 1380 O VAL A 88 -5.533 1.015 -14.930 1.00 15.31 O ATOM 1381 CB VAL A 88 -5.753 -2.247 -14.306 1.00 54.50 C ATOM 1382 CG1 VAL A 88 -5.137 -1.656 -13.048 1.00 44.24 C ATOM 1383 CG2 VAL A 88 -6.670 -3.412 -13.963 1.00 75.10 C ATOM 0 H VAL A 88 -7.115 -2.748 -16.334 1.00 22.02 H new ATOM 0 HA VAL A 88 -7.292 -0.739 -14.445 1.00 34.42 H new ATOM 0 HB VAL A 88 -4.946 -2.622 -14.936 1.00 54.50 H new ATOM 0 HG11 VAL A 88 -4.597 -2.433 -12.508 1.00 44.24 H new ATOM 0 HG12 VAL A 88 -4.447 -0.857 -13.321 1.00 44.24 H new ATOM 0 HG13 VAL A 88 -5.925 -1.253 -12.412 1.00 44.24 H new ATOM 0 HG21 VAL A 88 -6.109 -4.166 -13.410 1.00 75.10 H new ATOM 0 HG22 VAL A 88 -7.499 -3.055 -13.351 1.00 75.10 H new ATOM 0 HG23 VAL A 88 -7.060 -3.851 -14.881 1.00 75.10 H new ATOM 1393 N HIS A 89 -4.746 -0.361 -16.527 1.00 31.14 N ATOM 1394 CA HIS A 89 -3.771 0.600 -17.030 1.00 23.34 C ATOM 1395 C HIS A 89 -4.464 1.862 -17.536 1.00 45.01 C ATOM 1396 O HIS A 89 -3.820 2.910 -17.507 1.00 60.13 O ATOM 1397 CB HIS A 89 -2.939 -0.022 -18.152 1.00 1.22 C ATOM 1398 CG HIS A 89 -1.909 -0.995 -17.664 1.00 53.11 C ATOM 1399 ND1 HIS A 89 -1.379 -0.955 -16.392 1.00 13.22 N ATOM 1400 CD2 HIS A 89 -1.313 -2.038 -18.286 1.00 1.15 C ATOM 1401 CE1 HIS A 89 -0.500 -1.932 -16.253 1.00 53.34 C ATOM 1402 NE2 HIS A 89 -0.442 -2.605 -17.388 1.00 74.34 N ATOM 0 H HIS A 89 -4.749 -1.255 -17.019 1.00 31.14 H new ATOM 0 HA HIS A 89 -3.110 0.873 -16.207 1.00 23.34 H new ATOM 0 HB2 HIS A 89 -3.606 -0.530 -18.849 1.00 1.22 H new ATOM 0 HB3 HIS A 89 -2.442 0.773 -18.708 1.00 1.22 H new ATOM 0 HD2 HIS A 89 -1.489 -2.364 -19.300 1.00 1.15 H new ATOM 0 HE1 HIS A 89 0.073 -2.144 -15.363 1.00 53.34 H new ATOM 0 HE2 HIS A 89 0.153 -3.414 -17.568 1.00 74.34 H new ATOM 1411 N GLN A 90 -5.714 1.791 -17.981 1.00 55.20 N ATOM 1412 CA GLN A 90 -6.417 2.970 -18.474 1.00 32.10 C ATOM 1413 C GLN A 90 -7.286 3.583 -17.381 1.00 74.32 C ATOM 1414 O GLN A 90 -8.284 4.246 -17.667 1.00 3.12 O ATOM 1415 CB GLN A 90 -7.279 2.607 -19.685 1.00 21.12 C ATOM 1416 CG GLN A 90 -6.490 2.484 -20.979 1.00 50.12 C ATOM 1417 CD GLN A 90 -5.796 3.775 -21.364 1.00 3.23 C ATOM 1418 OE1 GLN A 90 -4.581 3.804 -21.565 1.00 12.03 O ATOM 1419 NE2 GLN A 90 -6.564 4.854 -21.466 1.00 15.14 N ATOM 0 H GLN A 90 -6.261 0.930 -18.010 1.00 55.20 H new ATOM 0 HA GLN A 90 -5.672 3.706 -18.775 1.00 32.10 H new ATOM 0 HB2 GLN A 90 -7.788 1.663 -19.488 1.00 21.12 H new ATOM 0 HB3 GLN A 90 -8.052 3.366 -19.811 1.00 21.12 H new ATOM 0 HG2 GLN A 90 -5.747 1.694 -20.873 1.00 50.12 H new ATOM 0 HG3 GLN A 90 -7.162 2.184 -21.783 1.00 50.12 H new ATOM 0 HE21 GLN A 90 -7.566 4.785 -21.291 1.00 15.14 H new ATOM 0 HE22 GLN A 90 -6.151 5.752 -21.720 1.00 15.14 H new ATOM 1428 N ARG A 91 -6.901 3.357 -16.129 1.00 73.42 N ATOM 1429 CA ARG A 91 -7.647 3.886 -14.994 1.00 4.33 C ATOM 1430 C ARG A 91 -9.090 3.390 -15.013 1.00 70.24 C ATOM 1431 O ARG A 91 -10.010 4.117 -14.638 1.00 73.03 O ATOM 1432 CB ARG A 91 -7.621 5.416 -15.007 1.00 52.31 C ATOM 1433 CG ARG A 91 -7.370 6.033 -13.641 1.00 1.35 C ATOM 1434 CD ARG A 91 -6.376 7.180 -13.722 1.00 3.13 C ATOM 1435 NE ARG A 91 -5.983 7.659 -12.400 1.00 43.20 N ATOM 1436 CZ ARG A 91 -5.027 8.558 -12.197 1.00 24.42 C ATOM 1437 NH1 ARG A 91 -4.369 9.073 -13.226 1.00 75.51 N ATOM 1438 NH2 ARG A 91 -4.727 8.944 -10.964 1.00 4.43 N ATOM 0 H ARG A 91 -6.077 2.811 -15.875 1.00 73.42 H new ATOM 0 HA ARG A 91 -7.171 3.530 -14.081 1.00 4.33 H new ATOM 0 HB2 ARG A 91 -6.846 5.752 -15.696 1.00 52.31 H new ATOM 0 HB3 ARG A 91 -8.572 5.784 -15.393 1.00 52.31 H new ATOM 0 HG2 ARG A 91 -8.311 6.394 -13.225 1.00 1.35 H new ATOM 0 HG3 ARG A 91 -6.992 5.270 -12.960 1.00 1.35 H new ATOM 0 HD2 ARG A 91 -5.490 6.854 -14.267 1.00 3.13 H new ATOM 0 HD3 ARG A 91 -6.815 8.001 -14.289 1.00 3.13 H new ATOM 0 HE ARG A 91 -6.470 7.282 -11.587 1.00 43.20 H new ATOM 0 HH11 ARG A 91 -4.597 8.779 -14.176 1.00 75.51 H new ATOM 0 HH12 ARG A 91 -3.635 9.763 -13.068 1.00 75.51 H new ATOM 0 HH21 ARG A 91 -5.231 8.550 -10.169 1.00 4.43 H new ATOM 0 HH22 ARG A 91 -3.992 9.635 -10.810 1.00 4.43 H new ATOM 1452 N ILE A 92 -9.279 2.151 -15.452 1.00 1.34 N ATOM 1453 CA ILE A 92 -10.609 1.559 -15.518 1.00 21.21 C ATOM 1454 C ILE A 92 -10.764 0.440 -14.495 1.00 41.54 C ATOM 1455 O ILE A 92 -9.871 -0.389 -14.324 1.00 20.44 O ATOM 1456 CB ILE A 92 -10.906 1.000 -16.922 1.00 75.02 C ATOM 1457 CG1 ILE A 92 -10.571 2.041 -17.992 1.00 22.10 C ATOM 1458 CG2 ILE A 92 -12.365 0.577 -17.026 1.00 64.21 C ATOM 1459 CD1 ILE A 92 -10.788 1.549 -19.405 1.00 12.45 C ATOM 0 H ILE A 92 -8.528 1.537 -15.767 1.00 1.34 H new ATOM 0 HA ILE A 92 -11.320 2.354 -15.294 1.00 21.21 H new ATOM 0 HB ILE A 92 -10.280 0.123 -17.087 1.00 75.02 H new ATOM 0 HG12 ILE A 92 -11.182 2.928 -17.827 1.00 22.10 H new ATOM 0 HG13 ILE A 92 -9.530 2.345 -17.878 1.00 22.10 H new ATOM 0 HG21 ILE A 92 -12.560 0.184 -18.024 1.00 64.21 H new ATOM 0 HG22 ILE A 92 -12.574 -0.195 -16.285 1.00 64.21 H new ATOM 0 HG23 ILE A 92 -13.007 1.438 -16.844 1.00 64.21 H new ATOM 0 HD11 ILE A 92 -10.530 2.340 -20.109 1.00 12.45 H new ATOM 0 HD12 ILE A 92 -10.157 0.680 -19.589 1.00 12.45 H new ATOM 0 HD13 ILE A 92 -11.834 1.272 -19.537 1.00 12.45 H new ATOM 1471 N ASP A 93 -11.907 0.421 -13.816 1.00 51.52 N ATOM 1472 CA ASP A 93 -12.183 -0.598 -12.810 1.00 31.45 C ATOM 1473 C ASP A 93 -13.425 -1.403 -13.178 1.00 72.22 C ATOM 1474 O ASP A 93 -14.379 -0.868 -13.743 1.00 30.00 O ATOM 1475 CB ASP A 93 -12.366 0.048 -11.436 1.00 71.12 C ATOM 1476 CG ASP A 93 -11.872 -0.838 -10.309 1.00 64.13 C ATOM 1477 OD1 ASP A 93 -11.505 -2.000 -10.584 1.00 32.10 O ATOM 1478 OD2 ASP A 93 -11.851 -0.369 -9.152 1.00 23.32 O ATOM 0 H ASP A 93 -12.657 1.100 -13.945 1.00 51.52 H new ATOM 0 HA ASP A 93 -11.331 -1.277 -12.773 1.00 31.45 H new ATOM 0 HB2 ASP A 93 -11.830 0.997 -11.410 1.00 71.12 H new ATOM 0 HB3 ASP A 93 -13.421 0.273 -11.281 1.00 71.12 H new ATOM 1483 N VAL A 94 -13.406 -2.692 -12.854 1.00 35.43 N ATOM 1484 CA VAL A 94 -14.531 -3.572 -13.151 1.00 20.52 C ATOM 1485 C VAL A 94 -14.643 -4.687 -12.119 1.00 3.31 C ATOM 1486 O VAL A 94 -13.683 -4.993 -11.410 1.00 72.42 O ATOM 1487 CB VAL A 94 -14.400 -4.196 -14.553 1.00 53.55 C ATOM 1488 CG1 VAL A 94 -14.304 -3.110 -15.615 1.00 4.25 C ATOM 1489 CG2 VAL A 94 -13.195 -5.121 -14.614 1.00 14.42 C ATOM 0 H VAL A 94 -12.624 -3.150 -12.386 1.00 35.43 H new ATOM 0 HA VAL A 94 -15.431 -2.958 -13.117 1.00 20.52 H new ATOM 0 HB VAL A 94 -15.293 -4.788 -14.753 1.00 53.55 H new ATOM 0 HG11 VAL A 94 -14.212 -3.570 -16.599 1.00 4.25 H new ATOM 0 HG12 VAL A 94 -15.202 -2.492 -15.586 1.00 4.25 H new ATOM 0 HG13 VAL A 94 -13.430 -2.489 -15.422 1.00 4.25 H new ATOM 0 HG21 VAL A 94 -13.118 -5.553 -15.612 1.00 14.42 H new ATOM 0 HG22 VAL A 94 -12.290 -4.555 -14.393 1.00 14.42 H new ATOM 0 HG23 VAL A 94 -13.312 -5.919 -13.881 1.00 14.42 H new ATOM 1499 N LYS A 95 -15.822 -5.295 -12.038 1.00 22.21 N ATOM 1500 CA LYS A 95 -16.061 -6.379 -11.093 1.00 41.22 C ATOM 1501 C LYS A 95 -15.528 -7.701 -11.636 1.00 0.02 C ATOM 1502 O LYS A 95 -14.749 -8.386 -10.973 1.00 22.20 O ATOM 1503 CB LYS A 95 -17.557 -6.504 -10.797 1.00 53.53 C ATOM 1504 CG LYS A 95 -17.885 -6.516 -9.313 1.00 72.35 C ATOM 1505 CD LYS A 95 -19.157 -5.739 -9.017 1.00 1.23 C ATOM 1506 CE LYS A 95 -20.379 -6.426 -9.607 1.00 64.25 C ATOM 1507 NZ LYS A 95 -21.049 -5.579 -10.633 1.00 1.51 N ATOM 0 H LYS A 95 -16.627 -5.055 -12.616 1.00 22.21 H new ATOM 0 HA LYS A 95 -15.532 -6.146 -10.169 1.00 41.22 H new ATOM 0 HB2 LYS A 95 -18.083 -5.675 -11.270 1.00 53.53 H new ATOM 0 HB3 LYS A 95 -17.933 -7.421 -11.251 1.00 53.53 H new ATOM 0 HG2 LYS A 95 -17.999 -7.545 -8.973 1.00 72.35 H new ATOM 0 HG3 LYS A 95 -17.055 -6.085 -8.753 1.00 72.35 H new ATOM 0 HD2 LYS A 95 -19.280 -5.638 -7.939 1.00 1.23 H new ATOM 0 HD3 LYS A 95 -19.072 -4.731 -9.424 1.00 1.23 H new ATOM 0 HE2 LYS A 95 -20.082 -7.374 -10.056 1.00 64.25 H new ATOM 0 HE3 LYS A 95 -21.085 -6.658 -8.810 1.00 64.25 H new ATOM 0 HZ1 LYS A 95 -21.877 -6.082 -11.011 1.00 1.51 H new ATOM 0 HZ2 LYS A 95 -21.355 -4.685 -10.199 1.00 1.51 H new ATOM 0 HZ3 LYS A 95 -20.383 -5.378 -11.406 1.00 1.51 H new ATOM 1521 N ASP A 96 -15.951 -8.053 -12.845 1.00 3.33 N ATOM 1522 CA ASP A 96 -15.513 -9.292 -13.477 1.00 13.13 C ATOM 1523 C ASP A 96 -14.842 -9.010 -14.818 1.00 21.20 C ATOM 1524 O ASP A 96 -14.712 -7.857 -15.230 1.00 73.11 O ATOM 1525 CB ASP A 96 -16.701 -10.235 -13.676 1.00 75.10 C ATOM 1526 CG ASP A 96 -17.978 -9.494 -14.018 1.00 54.21 C ATOM 1527 OD1 ASP A 96 -17.981 -8.746 -15.019 1.00 42.42 O ATOM 1528 OD2 ASP A 96 -18.975 -9.661 -13.285 1.00 12.55 O ATOM 0 H ASP A 96 -16.597 -7.498 -13.407 1.00 3.33 H new ATOM 0 HA ASP A 96 -14.786 -9.769 -12.820 1.00 13.13 H new ATOM 0 HB2 ASP A 96 -16.470 -10.942 -14.473 1.00 75.10 H new ATOM 0 HB3 ASP A 96 -16.855 -10.818 -12.768 1.00 75.10 H new ATOM 1533 N THR A 97 -14.416 -10.071 -15.496 1.00 44.51 N ATOM 1534 CA THR A 97 -13.756 -9.939 -16.789 1.00 43.14 C ATOM 1535 C THR A 97 -14.756 -9.578 -17.881 1.00 71.40 C ATOM 1536 O THR A 97 -14.393 -8.982 -18.896 1.00 55.30 O ATOM 1537 CB THR A 97 -13.027 -11.237 -17.183 1.00 61.22 C ATOM 1538 OG1 THR A 97 -12.126 -11.629 -16.143 1.00 4.23 O ATOM 1539 CG2 THR A 97 -12.260 -11.052 -18.483 1.00 33.43 C ATOM 0 H THR A 97 -14.516 -11.032 -15.171 1.00 44.51 H new ATOM 0 HA THR A 97 -13.024 -9.137 -16.691 1.00 43.14 H new ATOM 0 HB THR A 97 -13.774 -12.018 -17.328 1.00 61.22 H new ATOM 0 HG1 THR A 97 -12.511 -11.397 -15.272 1.00 4.23 H new ATOM 0 HG21 THR A 97 -11.753 -11.982 -18.742 1.00 33.43 H new ATOM 0 HG22 THR A 97 -12.954 -10.783 -19.280 1.00 33.43 H new ATOM 0 HG23 THR A 97 -11.523 -10.258 -18.361 1.00 33.43 H new ATOM 1547 N LYS A 98 -16.016 -9.941 -17.668 1.00 24.51 N ATOM 1548 CA LYS A 98 -17.070 -9.653 -18.634 1.00 4.13 C ATOM 1549 C LYS A 98 -17.320 -8.152 -18.735 1.00 73.12 C ATOM 1550 O LYS A 98 -17.428 -7.605 -19.832 1.00 21.02 O ATOM 1551 CB LYS A 98 -18.362 -10.371 -18.238 1.00 25.32 C ATOM 1552 CG LYS A 98 -19.184 -10.841 -19.426 1.00 50.25 C ATOM 1553 CD LYS A 98 -20.316 -9.876 -19.737 1.00 30.14 C ATOM 1554 CE LYS A 98 -21.473 -10.041 -18.764 1.00 34.13 C ATOM 1555 NZ LYS A 98 -22.333 -11.205 -19.118 1.00 12.02 N ATOM 0 H LYS A 98 -16.333 -10.436 -16.834 1.00 24.51 H new ATOM 0 HA LYS A 98 -16.744 -10.015 -19.609 1.00 4.13 H new ATOM 0 HB2 LYS A 98 -18.114 -11.231 -17.615 1.00 25.32 H new ATOM 0 HB3 LYS A 98 -18.969 -9.701 -17.629 1.00 25.32 H new ATOM 0 HG2 LYS A 98 -18.539 -10.941 -20.299 1.00 50.25 H new ATOM 0 HG3 LYS A 98 -19.594 -11.829 -19.218 1.00 50.25 H new ATOM 0 HD2 LYS A 98 -19.945 -8.852 -19.692 1.00 30.14 H new ATOM 0 HD3 LYS A 98 -20.669 -10.043 -20.755 1.00 30.14 H new ATOM 0 HE2 LYS A 98 -21.083 -10.171 -17.755 1.00 34.13 H new ATOM 0 HE3 LYS A 98 -22.075 -9.133 -18.758 1.00 34.13 H new ATOM 0 HZ1 LYS A 98 -23.110 -11.284 -18.431 1.00 12.02 H new ATOM 0 HZ2 LYS A 98 -22.726 -11.069 -20.071 1.00 12.02 H new ATOM 0 HZ3 LYS A 98 -21.764 -12.075 -19.099 1.00 12.02 H new ATOM 1569 N GLU A 99 -17.410 -7.492 -17.584 1.00 31.44 N ATOM 1570 CA GLU A 99 -17.647 -6.055 -17.545 1.00 61.44 C ATOM 1571 C GLU A 99 -16.574 -5.305 -18.330 1.00 63.51 C ATOM 1572 O GLU A 99 -16.880 -4.427 -19.137 1.00 34.24 O ATOM 1573 CB GLU A 99 -17.675 -5.558 -16.098 1.00 54.21 C ATOM 1574 CG GLU A 99 -18.990 -4.906 -15.703 1.00 34.44 C ATOM 1575 CD GLU A 99 -20.192 -5.764 -16.047 1.00 51.21 C ATOM 1576 OE1 GLU A 99 -20.371 -6.820 -15.404 1.00 75.33 O ATOM 1577 OE2 GLU A 99 -20.955 -5.381 -16.959 1.00 22.50 O ATOM 0 H GLU A 99 -17.322 -7.930 -16.667 1.00 31.44 H new ATOM 0 HA GLU A 99 -18.615 -5.861 -18.007 1.00 61.44 H new ATOM 0 HB2 GLU A 99 -17.481 -6.398 -15.431 1.00 54.21 H new ATOM 0 HB3 GLU A 99 -16.866 -4.842 -15.953 1.00 54.21 H new ATOM 0 HG2 GLU A 99 -18.985 -4.707 -14.631 1.00 34.44 H new ATOM 0 HG3 GLU A 99 -19.080 -3.943 -16.206 1.00 34.44 H new ATOM 1584 N ALA A 100 -15.316 -5.657 -18.086 1.00 64.13 N ATOM 1585 CA ALA A 100 -14.198 -5.019 -18.770 1.00 71.00 C ATOM 1586 C ALA A 100 -14.257 -5.271 -20.273 1.00 51.31 C ATOM 1587 O ALA A 100 -13.823 -4.439 -21.070 1.00 72.14 O ATOM 1588 CB ALA A 100 -12.877 -5.517 -18.201 1.00 1.52 C ATOM 0 H ALA A 100 -15.046 -6.380 -17.420 1.00 64.13 H new ATOM 0 HA ALA A 100 -14.270 -3.944 -18.605 1.00 71.00 H new ATOM 0 HB1 ALA A 100 -12.051 -5.032 -18.721 1.00 1.52 H new ATOM 0 HB2 ALA A 100 -12.826 -5.280 -17.138 1.00 1.52 H new ATOM 0 HB3 ALA A 100 -12.807 -6.596 -18.335 1.00 1.52 H new ATOM 1594 N LEU A 101 -14.796 -6.425 -20.653 1.00 23.20 N ATOM 1595 CA LEU A 101 -14.911 -6.788 -22.061 1.00 41.03 C ATOM 1596 C LEU A 101 -15.876 -5.855 -22.787 1.00 61.12 C ATOM 1597 O LEU A 101 -15.683 -5.537 -23.961 1.00 43.31 O ATOM 1598 CB LEU A 101 -15.385 -8.236 -22.197 1.00 72.32 C ATOM 1599 CG LEU A 101 -14.667 -9.080 -23.251 1.00 74.15 C ATOM 1600 CD1 LEU A 101 -14.777 -8.429 -24.622 1.00 43.32 C ATOM 1601 CD2 LEU A 101 -13.209 -9.282 -22.871 1.00 42.22 C ATOM 0 H LEU A 101 -15.160 -7.125 -20.006 1.00 23.20 H new ATOM 0 HA LEU A 101 -13.926 -6.690 -22.518 1.00 41.03 H new ATOM 0 HB2 LEU A 101 -15.274 -8.726 -21.230 1.00 72.32 H new ATOM 0 HB3 LEU A 101 -16.450 -8.229 -22.430 1.00 72.32 H new ATOM 0 HG LEU A 101 -15.148 -10.057 -23.295 1.00 74.15 H new ATOM 0 HD11 LEU A 101 -14.260 -9.044 -25.359 1.00 43.32 H new ATOM 0 HD12 LEU A 101 -15.827 -8.337 -24.898 1.00 43.32 H new ATOM 0 HD13 LEU A 101 -14.322 -7.439 -24.592 1.00 43.32 H new ATOM 0 HD21 LEU A 101 -12.715 -9.885 -23.633 1.00 42.22 H new ATOM 0 HD22 LEU A 101 -12.715 -8.313 -22.797 1.00 42.22 H new ATOM 0 HD23 LEU A 101 -13.151 -9.793 -21.910 1.00 42.22 H new ATOM 1613 N ASP A 102 -16.911 -5.416 -22.079 1.00 53.02 N ATOM 1614 CA ASP A 102 -17.905 -4.516 -22.654 1.00 30.23 C ATOM 1615 C ASP A 102 -17.327 -3.116 -22.840 1.00 5.50 C ATOM 1616 O ASP A 102 -17.612 -2.441 -23.827 1.00 72.11 O ATOM 1617 CB ASP A 102 -19.146 -4.456 -21.763 1.00 62.43 C ATOM 1618 CG ASP A 102 -20.027 -5.680 -21.915 1.00 2.42 C ATOM 1619 OD1 ASP A 102 -20.318 -6.063 -23.067 1.00 30.23 O ATOM 1620 OD2 ASP A 102 -20.427 -6.255 -20.880 1.00 14.03 O ATOM 0 H ASP A 102 -17.084 -5.669 -21.106 1.00 53.02 H new ATOM 0 HA ASP A 102 -18.189 -4.905 -23.632 1.00 30.23 H new ATOM 0 HB2 ASP A 102 -18.838 -4.361 -20.722 1.00 62.43 H new ATOM 0 HB3 ASP A 102 -19.723 -3.564 -22.008 1.00 62.43 H new ATOM 1625 N LYS A 103 -16.514 -2.686 -21.880 1.00 21.45 N ATOM 1626 CA LYS A 103 -15.894 -1.367 -21.936 1.00 41.43 C ATOM 1627 C LYS A 103 -14.986 -1.244 -23.154 1.00 32.21 C ATOM 1628 O LYS A 103 -14.997 -0.225 -23.847 1.00 30.25 O ATOM 1629 CB LYS A 103 -15.093 -1.103 -20.659 1.00 14.25 C ATOM 1630 CG LYS A 103 -15.648 0.032 -19.816 1.00 73.34 C ATOM 1631 CD LYS A 103 -15.189 1.385 -20.332 1.00 53.13 C ATOM 1632 CE LYS A 103 -16.169 2.487 -19.956 1.00 23.15 C ATOM 1633 NZ LYS A 103 -15.696 3.273 -18.783 1.00 34.53 N ATOM 0 H LYS A 103 -16.269 -3.232 -21.054 1.00 21.45 H new ATOM 0 HA LYS A 103 -16.687 -0.623 -22.020 1.00 41.43 H new ATOM 0 HB2 LYS A 103 -15.071 -2.013 -20.059 1.00 14.25 H new ATOM 0 HB3 LYS A 103 -14.062 -0.874 -20.928 1.00 14.25 H new ATOM 0 HG2 LYS A 103 -16.737 -0.010 -19.820 1.00 73.34 H new ATOM 0 HG3 LYS A 103 -15.328 -0.092 -18.781 1.00 73.34 H new ATOM 0 HD2 LYS A 103 -14.205 1.617 -19.924 1.00 53.13 H new ATOM 0 HD3 LYS A 103 -15.083 1.345 -21.416 1.00 53.13 H new ATOM 0 HE2 LYS A 103 -16.310 3.154 -20.807 1.00 23.15 H new ATOM 0 HE3 LYS A 103 -17.141 2.048 -19.731 1.00 23.15 H new ATOM 0 HZ1 LYS A 103 -16.391 4.014 -18.558 1.00 34.53 H new ATOM 0 HZ2 LYS A 103 -15.586 2.642 -17.964 1.00 34.53 H new ATOM 0 HZ3 LYS A 103 -14.781 3.713 -19.006 1.00 34.53 H new ATOM 1647 N ILE A 104 -14.202 -2.286 -23.411 1.00 0.21 N ATOM 1648 CA ILE A 104 -13.290 -2.294 -24.547 1.00 23.10 C ATOM 1649 C ILE A 104 -14.053 -2.379 -25.865 1.00 63.02 C ATOM 1650 O ILE A 104 -13.697 -1.721 -26.842 1.00 55.42 O ATOM 1651 CB ILE A 104 -12.298 -3.469 -24.465 1.00 22.14 C ATOM 1652 CG1 ILE A 104 -11.497 -3.398 -23.163 1.00 31.41 C ATOM 1653 CG2 ILE A 104 -11.367 -3.462 -25.668 1.00 23.32 C ATOM 1654 CD1 ILE A 104 -10.640 -4.620 -22.913 1.00 54.00 C ATOM 0 H ILE A 104 -14.181 -3.136 -22.847 1.00 0.21 H new ATOM 0 HA ILE A 104 -12.734 -1.357 -24.511 1.00 23.10 H new ATOM 0 HB ILE A 104 -12.861 -4.402 -24.473 1.00 22.14 H new ATOM 0 HG12 ILE A 104 -10.858 -2.515 -23.187 1.00 31.41 H new ATOM 0 HG13 ILE A 104 -12.186 -3.271 -22.328 1.00 31.41 H new ATOM 0 HG21 ILE A 104 -10.672 -4.299 -25.595 1.00 23.32 H new ATOM 0 HG22 ILE A 104 -11.953 -3.556 -26.582 1.00 23.32 H new ATOM 0 HG23 ILE A 104 -10.808 -2.527 -25.690 1.00 23.32 H new ATOM 0 HD11 ILE A 104 -10.101 -4.500 -21.973 1.00 54.00 H new ATOM 0 HD12 ILE A 104 -11.275 -5.504 -22.857 1.00 54.00 H new ATOM 0 HD13 ILE A 104 -9.926 -4.737 -23.728 1.00 54.00 H new