USER MOD reduce.3.24.130724 H: found=0, std=0, add=816, rem=0, adj=17 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 180:sc= 0 USER MOD Set 1.2: A 86 TYR OH : rot 165:sc=-0.00085 USER MOD Set 1.3: A 90 GLN : amide:sc= 0.0391 K(o=0.038,f=-0.48) USER MOD Set 2.1: A 29 TYR OH : rot 173:sc= 1.18 USER MOD Set 2.2: A 97 THR OG1 : rot 139:sc= 1.97 USER MOD Single : A 9 SER OG : rot 180:sc= -0.23 USER MOD Single : A 15 LYS NZ :NH3+ -176:sc= 0.448 (180deg=0.442) 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= 0.0218 X(o=0.022,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 147:sc= -0.381 (180deg=-1.85!) USER MOD Single : A 33 HIS : no HD1:sc= -0.97 K(o=-0.97,f=-7.4!) USER MOD Single : A 38 SER OG : rot 180:sc= -0.0536 USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.56 USER MOD Single : A 57 CYS SG : rot 180:sc= -0.539 USER MOD Single : A 59 GLN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 GLN : amide:sc= -0.326 K(o=-0.33,f=-2.8!) USER MOD Single : A 67 SER OG : rot 99:sc= 0.342 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=-0.0085) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.0941 USER MOD Single : A 72 SER OG : rot 180:sc= 0.0781 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 150:sc= -0.199 USER MOD Single : A 80 ASN : amide:sc= -3.64! C(o=-3.6!,f=-3.3!) USER MOD Single : A 81 THR OG1 : rot 75:sc= 0.512 USER MOD Single : A 87 CYS SG : rot -120:sc= -0.746 USER MOD Single : A 89 HIS : no HD1:sc= -2.12! C(o=-1.7!,f=-5.5!) 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 4.633 -5.518 -13.687 1.00 53.14 N ATOM 64 CA VAL A 7 3.473 -5.186 -14.504 1.00 14.24 C ATOM 65 C VAL A 7 2.566 -4.189 -13.791 1.00 54.44 C ATOM 66 O VAL A 7 2.442 -3.037 -14.209 1.00 14.21 O ATOM 67 CB VAL A 7 2.656 -6.443 -14.857 1.00 72.32 C ATOM 68 CG1 VAL A 7 1.499 -6.086 -15.777 1.00 63.23 C ATOM 69 CG2 VAL A 7 3.550 -7.496 -15.495 1.00 73.21 C ATOM 0 HA VAL A 7 3.851 -4.738 -15.423 1.00 14.24 H new ATOM 0 HB VAL A 7 2.243 -6.858 -13.938 1.00 72.32 H new ATOM 0 HG11 VAL A 7 0.933 -6.986 -16.016 1.00 63.23 H new ATOM 0 HG12 VAL A 7 0.847 -5.368 -15.279 1.00 63.23 H new ATOM 0 HG13 VAL A 7 1.887 -5.647 -16.696 1.00 63.23 H new ATOM 0 HG21 VAL A 7 2.957 -8.378 -15.738 1.00 73.21 H new ATOM 0 HG22 VAL A 7 3.993 -7.094 -16.406 1.00 73.21 H new ATOM 0 HG23 VAL A 7 4.341 -7.772 -14.798 1.00 73.21 H new ATOM 79 N LEU A 8 1.935 -4.638 -12.712 1.00 61.33 N ATOM 80 CA LEU A 8 1.039 -3.784 -11.939 1.00 43.44 C ATOM 81 C LEU A 8 1.761 -3.185 -10.736 1.00 32.10 C ATOM 82 O LEU A 8 2.581 -3.845 -10.099 1.00 72.13 O ATOM 83 CB LEU A 8 -0.178 -4.582 -11.470 1.00 5.21 C ATOM 84 CG LEU A 8 -1.197 -4.950 -12.551 1.00 55.32 C ATOM 85 CD1 LEU A 8 -2.213 -5.945 -12.011 1.00 34.41 C ATOM 86 CD2 LEU A 8 -1.895 -3.701 -13.071 1.00 50.51 C ATOM 0 H LEU A 8 2.027 -5.588 -12.352 1.00 61.33 H new ATOM 0 HA LEU A 8 0.707 -2.970 -12.583 1.00 43.44 H new ATOM 0 HB2 LEU A 8 0.174 -5.502 -11.002 1.00 5.21 H new ATOM 0 HB3 LEU A 8 -0.689 -4.007 -10.698 1.00 5.21 H new ATOM 0 HG LEU A 8 -0.666 -5.418 -13.380 1.00 55.32 H new ATOM 0 HD11 LEU A 8 -2.929 -6.195 -12.794 1.00 34.41 H new ATOM 0 HD12 LEU A 8 -1.699 -6.850 -11.687 1.00 34.41 H new ATOM 0 HD13 LEU A 8 -2.740 -5.504 -11.165 1.00 34.41 H new ATOM 0 HD21 LEU A 8 -2.616 -3.980 -13.839 1.00 50.51 H new ATOM 0 HD22 LEU A 8 -2.413 -3.205 -12.250 1.00 50.51 H new ATOM 0 HD23 LEU A 8 -1.156 -3.022 -13.497 1.00 50.51 H new ATOM 98 N SER A 9 1.449 -1.930 -10.431 1.00 12.41 N ATOM 99 CA SER A 9 2.069 -1.239 -9.306 1.00 44.22 C ATOM 100 C SER A 9 1.374 -1.601 -7.997 1.00 11.35 C ATOM 101 O SER A 9 0.518 -2.483 -7.958 1.00 24.40 O ATOM 102 CB SER A 9 2.023 0.275 -9.520 1.00 63.35 C ATOM 103 OG SER A 9 0.886 0.844 -8.896 1.00 3.10 O ATOM 0 H SER A 9 0.770 -1.370 -10.947 1.00 12.41 H new ATOM 0 HA SER A 9 3.110 -1.557 -9.245 1.00 44.22 H new ATOM 0 HB2 SER A 9 2.928 0.730 -9.118 1.00 63.35 H new ATOM 0 HB3 SER A 9 2.004 0.494 -10.588 1.00 63.35 H new ATOM 0 HG SER A 9 0.881 1.812 -9.046 1.00 3.10 H new ATOM 109 N GLY A 10 1.748 -0.910 -6.925 1.00 13.33 N ATOM 110 CA GLY A 10 1.152 -1.171 -5.627 1.00 4.34 C ATOM 111 C GLY A 10 -0.350 -0.960 -5.628 1.00 43.32 C ATOM 112 O GLY A 10 -1.104 -1.824 -5.182 1.00 2.11 O ATOM 0 H GLY A 10 2.454 -0.173 -6.932 1.00 13.33 H new ATOM 0 HA2 GLY A 10 1.372 -2.196 -5.329 1.00 4.34 H new ATOM 0 HA3 GLY A 10 1.608 -0.518 -4.883 1.00 4.34 H new ATOM 116 N GLY A 11 -0.785 0.192 -6.127 1.00 70.12 N ATOM 117 CA GLY A 11 -2.204 0.493 -6.172 1.00 21.22 C ATOM 118 C GLY A 11 -2.957 -0.404 -7.134 1.00 21.44 C ATOM 119 O GLY A 11 -4.085 -0.811 -6.859 1.00 24.11 O ATOM 0 H GLY A 11 -0.180 0.923 -6.501 1.00 70.12 H new ATOM 0 HA2 GLY A 11 -2.627 0.385 -5.173 1.00 21.22 H new ATOM 0 HA3 GLY A 11 -2.342 1.533 -6.466 1.00 21.22 H new ATOM 123 N GLU A 12 -2.331 -0.712 -8.267 1.00 11.51 N ATOM 124 CA GLU A 12 -2.952 -1.565 -9.273 1.00 33.55 C ATOM 125 C GLU A 12 -3.044 -3.007 -8.784 1.00 73.00 C ATOM 126 O GLU A 12 -3.973 -3.735 -9.134 1.00 64.02 O ATOM 127 CB GLU A 12 -2.159 -1.507 -10.581 1.00 62.31 C ATOM 128 CG GLU A 12 -1.761 -0.100 -10.991 1.00 72.50 C ATOM 129 CD GLU A 12 -1.036 -0.062 -12.322 1.00 52.03 C ATOM 130 OE1 GLU A 12 -1.716 -0.005 -13.368 1.00 71.11 O ATOM 131 OE2 GLU A 12 0.213 -0.091 -12.317 1.00 74.22 O ATOM 0 H GLU A 12 -1.396 -0.384 -8.510 1.00 11.51 H new ATOM 0 HA GLU A 12 -3.962 -1.197 -9.451 1.00 33.55 H new ATOM 0 HB2 GLU A 12 -1.260 -2.114 -10.478 1.00 62.31 H new ATOM 0 HB3 GLU A 12 -2.755 -1.953 -11.377 1.00 62.31 H new ATOM 0 HG2 GLU A 12 -2.653 0.523 -11.050 1.00 72.50 H new ATOM 0 HG3 GLU A 12 -1.121 0.331 -10.221 1.00 72.50 H new ATOM 138 N LEU A 13 -2.073 -3.413 -7.973 1.00 31.25 N ATOM 139 CA LEU A 13 -2.043 -4.768 -7.435 1.00 73.00 C ATOM 140 C LEU A 13 -3.271 -5.039 -6.572 1.00 13.11 C ATOM 141 O LEU A 13 -3.994 -6.011 -6.791 1.00 61.30 O ATOM 142 CB LEU A 13 -0.771 -4.983 -6.613 1.00 53.12 C ATOM 143 CG LEU A 13 -0.454 -6.430 -6.232 1.00 53.40 C ATOM 144 CD1 LEU A 13 -0.146 -7.253 -7.473 1.00 51.12 C ATOM 145 CD2 LEU A 13 0.709 -6.480 -5.252 1.00 62.53 C ATOM 0 H LEU A 13 -1.296 -2.823 -7.674 1.00 31.25 H new ATOM 0 HA LEU A 13 -2.050 -5.465 -8.273 1.00 73.00 H new ATOM 0 HB2 LEU A 13 0.073 -4.583 -7.175 1.00 53.12 H new ATOM 0 HB3 LEU A 13 -0.850 -4.396 -5.698 1.00 53.12 H new ATOM 0 HG LEU A 13 -1.330 -6.859 -5.746 1.00 53.40 H new ATOM 0 HD11 LEU A 13 0.077 -8.280 -7.183 1.00 51.12 H new ATOM 0 HD12 LEU A 13 -1.009 -7.244 -8.139 1.00 51.12 H new ATOM 0 HD13 LEU A 13 0.715 -6.826 -7.988 1.00 51.12 H new ATOM 0 HD21 LEU A 13 0.921 -7.517 -4.992 1.00 62.53 H new ATOM 0 HD22 LEU A 13 1.591 -6.033 -5.711 1.00 62.53 H new ATOM 0 HD23 LEU A 13 0.449 -5.925 -4.350 1.00 62.53 H new ATOM 157 N ASP A 14 -3.502 -4.173 -5.592 1.00 12.35 N ATOM 158 CA ASP A 14 -4.645 -4.316 -4.698 1.00 2.42 C ATOM 159 C ASP A 14 -5.941 -4.460 -5.491 1.00 21.42 C ATOM 160 O ASP A 14 -6.729 -5.373 -5.252 1.00 42.45 O ATOM 161 CB ASP A 14 -4.738 -3.113 -3.758 1.00 4.04 C ATOM 162 CG ASP A 14 -4.963 -3.521 -2.315 1.00 34.43 C ATOM 163 OD1 ASP A 14 -3.970 -3.839 -1.629 1.00 53.21 O ATOM 164 OD2 ASP A 14 -6.131 -3.523 -1.873 1.00 24.33 O ATOM 0 H ASP A 14 -2.913 -3.364 -5.396 1.00 12.35 H new ATOM 0 HA ASP A 14 -4.501 -5.220 -4.106 1.00 2.42 H new ATOM 0 HB2 ASP A 14 -3.820 -2.529 -3.828 1.00 4.04 H new ATOM 0 HB3 ASP A 14 -5.553 -2.466 -4.081 1.00 4.04 H new ATOM 169 N LYS A 15 -6.155 -3.550 -6.436 1.00 73.44 N ATOM 170 CA LYS A 15 -7.353 -3.575 -7.265 1.00 34.13 C ATOM 171 C LYS A 15 -7.392 -4.832 -8.128 1.00 13.31 C ATOM 172 O LYS A 15 -8.450 -5.432 -8.317 1.00 70.11 O ATOM 173 CB LYS A 15 -7.408 -2.331 -8.155 1.00 21.22 C ATOM 174 CG LYS A 15 -8.603 -1.436 -7.876 1.00 2.43 C ATOM 175 CD LYS A 15 -8.470 -0.729 -6.537 1.00 35.51 C ATOM 176 CE LYS A 15 -9.826 -0.310 -5.991 1.00 61.23 C ATOM 177 NZ LYS A 15 -10.407 0.826 -6.758 1.00 72.51 N ATOM 0 H LYS A 15 -5.513 -2.786 -6.646 1.00 73.44 H new ATOM 0 HA LYS A 15 -8.221 -3.582 -6.605 1.00 34.13 H new ATOM 0 HB2 LYS A 15 -6.493 -1.755 -8.017 1.00 21.22 H new ATOM 0 HB3 LYS A 15 -7.434 -2.642 -9.199 1.00 21.22 H new ATOM 0 HG2 LYS A 15 -8.698 -0.696 -8.671 1.00 2.43 H new ATOM 0 HG3 LYS A 15 -9.515 -2.032 -7.884 1.00 2.43 H new ATOM 0 HD2 LYS A 15 -7.977 -1.389 -5.823 1.00 35.51 H new ATOM 0 HD3 LYS A 15 -7.835 0.150 -6.650 1.00 35.51 H new ATOM 0 HE2 LYS A 15 -10.509 -1.159 -6.026 1.00 61.23 H new ATOM 0 HE3 LYS A 15 -9.724 -0.026 -4.944 1.00 61.23 H new ATOM 0 HZ1 LYS A 15 -11.298 1.125 -6.313 1.00 72.51 H new ATOM 0 HZ2 LYS A 15 -9.737 1.622 -6.761 1.00 72.51 H new ATOM 0 HZ3 LYS A 15 -10.592 0.526 -7.736 1.00 72.51 H new ATOM 191 N TRP A 16 -6.235 -5.224 -8.646 1.00 63.53 N ATOM 192 CA TRP A 16 -6.137 -6.412 -9.487 1.00 23.03 C ATOM 193 C TRP A 16 -6.696 -7.635 -8.769 1.00 21.12 C ATOM 194 O TRP A 16 -7.357 -8.475 -9.379 1.00 71.13 O ATOM 195 CB TRP A 16 -4.683 -6.660 -9.888 1.00 31.53 C ATOM 196 CG TRP A 16 -4.478 -7.960 -10.607 1.00 54.12 C ATOM 197 CD1 TRP A 16 -3.967 -9.114 -10.085 1.00 14.11 C ATOM 198 CD2 TRP A 16 -4.777 -8.237 -11.979 1.00 13.43 C ATOM 199 NE1 TRP A 16 -3.931 -10.092 -11.049 1.00 13.24 N ATOM 200 CE2 TRP A 16 -4.424 -9.579 -12.220 1.00 2.22 C ATOM 201 CE3 TRP A 16 -5.312 -7.482 -13.027 1.00 3.11 C ATOM 202 CZ2 TRP A 16 -4.587 -10.179 -13.466 1.00 14.33 C ATOM 203 CZ3 TRP A 16 -5.474 -8.079 -14.263 1.00 51.31 C ATOM 204 CH2 TRP A 16 -5.113 -9.417 -14.474 1.00 0.12 C ATOM 0 H TRP A 16 -5.351 -4.737 -8.499 1.00 63.53 H new ATOM 0 HA TRP A 16 -6.729 -6.240 -10.386 1.00 23.03 H new ATOM 0 HB2 TRP A 16 -4.345 -5.843 -10.526 1.00 31.53 H new ATOM 0 HB3 TRP A 16 -4.060 -6.645 -8.994 1.00 31.53 H new ATOM 0 HD1 TRP A 16 -3.639 -9.239 -9.064 1.00 14.11 H new ATOM 0 HE1 TRP A 16 -3.592 -11.045 -10.915 1.00 13.24 H new ATOM 0 HE3 TRP A 16 -5.594 -6.451 -12.874 1.00 3.11 H new ATOM 0 HZ2 TRP A 16 -4.308 -11.209 -13.631 1.00 14.33 H new ATOM 0 HZ3 TRP A 16 -5.886 -7.505 -15.080 1.00 51.31 H new ATOM 0 HH2 TRP A 16 -5.253 -9.855 -15.451 1.00 0.12 H new ATOM 215 N GLU A 17 -6.427 -7.728 -7.471 1.00 22.41 N ATOM 216 CA GLU A 17 -6.903 -8.850 -6.671 1.00 63.32 C ATOM 217 C GLU A 17 -8.405 -8.744 -6.425 1.00 11.20 C ATOM 218 O GLU A 17 -9.054 -9.719 -6.046 1.00 12.53 O ATOM 219 CB GLU A 17 -6.159 -8.906 -5.336 1.00 63.13 C ATOM 220 CG GLU A 17 -4.692 -9.281 -5.471 1.00 30.20 C ATOM 221 CD GLU A 17 -4.033 -9.554 -4.133 1.00 41.21 C ATOM 222 OE1 GLU A 17 -3.881 -8.599 -3.342 1.00 44.41 O ATOM 223 OE2 GLU A 17 -3.670 -10.721 -3.876 1.00 22.25 O ATOM 0 H GLU A 17 -5.882 -7.040 -6.951 1.00 22.41 H new ATOM 0 HA GLU A 17 -6.707 -9.767 -7.226 1.00 63.32 H new ATOM 0 HB2 GLU A 17 -6.233 -7.935 -4.847 1.00 63.13 H new ATOM 0 HB3 GLU A 17 -6.652 -9.629 -4.685 1.00 63.13 H new ATOM 0 HG2 GLU A 17 -4.604 -10.165 -6.102 1.00 30.20 H new ATOM 0 HG3 GLU A 17 -4.160 -8.475 -5.976 1.00 30.20 H new ATOM 230 N LYS A 18 -8.951 -7.552 -6.641 1.00 23.20 N ATOM 231 CA LYS A 18 -10.376 -7.316 -6.444 1.00 31.12 C ATOM 232 C LYS A 18 -11.137 -7.453 -7.759 1.00 10.24 C ATOM 233 O LYS A 18 -12.138 -6.769 -7.981 1.00 44.02 O ATOM 234 CB LYS A 18 -10.606 -5.924 -5.852 1.00 70.00 C ATOM 235 CG LYS A 18 -11.804 -5.849 -4.922 1.00 53.44 C ATOM 236 CD LYS A 18 -11.981 -4.451 -4.352 1.00 5.11 C ATOM 237 CE LYS A 18 -12.651 -4.486 -2.988 1.00 53.52 C ATOM 238 NZ LYS A 18 -11.834 -3.798 -1.950 1.00 70.13 N ATOM 0 H LYS A 18 -8.428 -6.734 -6.953 1.00 23.20 H new ATOM 0 HA LYS A 18 -10.750 -8.067 -5.748 1.00 31.12 H new ATOM 0 HB2 LYS A 18 -9.713 -5.618 -5.306 1.00 70.00 H new ATOM 0 HB3 LYS A 18 -10.742 -5.211 -6.665 1.00 70.00 H new ATOM 0 HG2 LYS A 18 -12.705 -6.139 -5.463 1.00 53.44 H new ATOM 0 HG3 LYS A 18 -11.678 -6.562 -4.107 1.00 53.44 H new ATOM 0 HD2 LYS A 18 -11.009 -3.965 -4.269 1.00 5.11 H new ATOM 0 HD3 LYS A 18 -12.580 -3.851 -5.037 1.00 5.11 H new ATOM 0 HE2 LYS A 18 -13.630 -4.012 -3.052 1.00 53.52 H new ATOM 0 HE3 LYS A 18 -12.817 -5.522 -2.692 1.00 53.52 H new ATOM 0 HZ1 LYS A 18 -12.325 -3.844 -1.035 1.00 70.13 H new ATOM 0 HZ2 LYS A 18 -10.909 -4.266 -1.870 1.00 70.13 H new ATOM 0 HZ3 LYS A 18 -11.697 -2.803 -2.220 1.00 70.13 H new ATOM 252 N ILE A 19 -10.659 -8.339 -8.625 1.00 1.12 N ATOM 253 CA ILE A 19 -11.296 -8.567 -9.916 1.00 42.40 C ATOM 254 C ILE A 19 -11.672 -10.035 -10.092 1.00 31.14 C ATOM 255 O ILE A 19 -10.827 -10.921 -9.969 1.00 35.22 O ATOM 256 CB ILE A 19 -10.382 -8.138 -11.079 1.00 51.53 C ATOM 257 CG1 ILE A 19 -10.016 -6.659 -10.950 1.00 10.02 C ATOM 258 CG2 ILE A 19 -11.061 -8.407 -12.413 1.00 5.12 C ATOM 259 CD1 ILE A 19 -8.869 -6.240 -11.843 1.00 2.40 C ATOM 0 H ILE A 19 -9.832 -8.911 -8.456 1.00 1.12 H new ATOM 0 HA ILE A 19 -12.200 -7.959 -9.934 1.00 42.40 H new ATOM 0 HB ILE A 19 -9.464 -8.725 -11.036 1.00 51.53 H new ATOM 0 HG12 ILE A 19 -10.891 -6.054 -11.188 1.00 10.02 H new ATOM 0 HG13 ILE A 19 -9.755 -6.447 -9.913 1.00 10.02 H new ATOM 0 HG21 ILE A 19 -10.403 -8.099 -13.225 1.00 5.12 H new ATOM 0 HG22 ILE A 19 -11.275 -9.472 -12.504 1.00 5.12 H new ATOM 0 HG23 ILE A 19 -11.993 -7.844 -12.467 1.00 5.12 H new ATOM 0 HD11 ILE A 19 -8.664 -5.179 -11.699 1.00 2.40 H new ATOM 0 HD12 ILE A 19 -7.981 -6.819 -11.590 1.00 2.40 H new ATOM 0 HD13 ILE A 19 -9.134 -6.420 -12.885 1.00 2.40 H new ATOM 271 N ARG A 20 -12.944 -10.283 -10.384 1.00 11.32 N ATOM 272 CA ARG A 20 -13.432 -11.643 -10.579 1.00 13.10 C ATOM 273 C ARG A 20 -13.068 -12.157 -11.969 1.00 32.22 C ATOM 274 O ARG A 20 -13.152 -11.424 -12.956 1.00 41.32 O ATOM 275 CB ARG A 20 -14.948 -11.697 -10.385 1.00 61.13 C ATOM 276 CG ARG A 20 -15.368 -11.965 -8.949 1.00 41.20 C ATOM 277 CD ARG A 20 -16.837 -11.636 -8.728 1.00 54.55 C ATOM 278 NE ARG A 20 -17.018 -10.304 -8.157 1.00 3.43 N ATOM 279 CZ ARG A 20 -18.130 -9.912 -7.545 1.00 42.31 C ATOM 280 NH1 ARG A 20 -19.153 -10.747 -7.422 1.00 2.13 N ATOM 281 NH2 ARG A 20 -18.221 -8.684 -7.052 1.00 41.03 N ATOM 0 H ARG A 20 -13.656 -9.560 -10.491 1.00 11.32 H new ATOM 0 HA ARG A 20 -12.955 -12.283 -9.837 1.00 13.10 H new ATOM 0 HB2 ARG A 20 -15.382 -10.752 -10.711 1.00 61.13 H new ATOM 0 HB3 ARG A 20 -15.361 -12.475 -11.027 1.00 61.13 H new ATOM 0 HG2 ARG A 20 -15.188 -13.012 -8.705 1.00 41.20 H new ATOM 0 HG3 ARG A 20 -14.755 -11.370 -8.272 1.00 41.20 H new ATOM 0 HD2 ARG A 20 -17.370 -11.699 -9.677 1.00 54.55 H new ATOM 0 HD3 ARG A 20 -17.279 -12.379 -8.064 1.00 54.55 H new ATOM 0 HE ARG A 20 -16.249 -9.638 -8.232 1.00 3.43 H new ATOM 0 HH11 ARG A 20 -19.087 -11.693 -7.798 1.00 2.13 H new ATOM 0 HH12 ARG A 20 -20.006 -10.443 -6.952 1.00 2.13 H new ATOM 0 HH21 ARG A 20 -17.436 -8.039 -7.142 1.00 41.03 H new ATOM 0 HH22 ARG A 20 -19.076 -8.385 -6.582 1.00 41.03 H new ATOM 295 N LEU A 21 -12.663 -13.421 -12.039 1.00 33.34 N ATOM 296 CA LEU A 21 -12.286 -14.033 -13.308 1.00 31.42 C ATOM 297 C LEU A 21 -13.489 -14.144 -14.238 1.00 65.34 C ATOM 298 O LEU A 21 -13.343 -14.159 -15.461 1.00 14.23 O ATOM 299 CB LEU A 21 -11.681 -15.417 -13.070 1.00 74.12 C ATOM 300 CG LEU A 21 -10.354 -15.448 -12.310 1.00 50.23 C ATOM 301 CD1 LEU A 21 -10.059 -16.853 -11.807 1.00 52.51 C ATOM 302 CD2 LEU A 21 -9.222 -14.948 -13.194 1.00 34.43 C ATOM 0 H LEU A 21 -12.588 -14.041 -11.233 1.00 33.34 H new ATOM 0 HA LEU A 21 -11.541 -13.395 -13.783 1.00 31.42 H new ATOM 0 HB2 LEU A 21 -12.405 -16.019 -12.521 1.00 74.12 H new ATOM 0 HB3 LEU A 21 -11.534 -15.899 -14.037 1.00 74.12 H new ATOM 0 HG LEU A 21 -10.435 -14.786 -11.448 1.00 50.23 H new ATOM 0 HD11 LEU A 21 -9.111 -16.855 -11.269 1.00 52.51 H new ATOM 0 HD12 LEU A 21 -10.857 -17.175 -11.138 1.00 52.51 H new ATOM 0 HD13 LEU A 21 -9.997 -17.537 -12.653 1.00 52.51 H new ATOM 0 HD21 LEU A 21 -8.285 -14.977 -12.637 1.00 34.43 H new ATOM 0 HD22 LEU A 21 -9.140 -15.585 -14.075 1.00 34.43 H new ATOM 0 HD23 LEU A 21 -9.428 -13.924 -13.504 1.00 34.43 H new ATOM 314 N ARG A 22 -14.679 -14.223 -13.651 1.00 41.23 N ATOM 315 CA ARG A 22 -15.908 -14.333 -14.427 1.00 4.30 C ATOM 316 C ARG A 22 -17.060 -13.622 -13.724 1.00 33.01 C ATOM 317 O ARG A 22 -17.025 -13.372 -12.519 1.00 11.40 O ATOM 318 CB ARG A 22 -16.265 -15.804 -14.651 1.00 23.55 C ATOM 319 CG ARG A 22 -15.907 -16.313 -16.038 1.00 33.53 C ATOM 320 CD ARG A 22 -16.784 -17.486 -16.445 1.00 45.23 C ATOM 321 NE ARG A 22 -16.288 -18.149 -17.648 1.00 1.24 N ATOM 322 CZ ARG A 22 -16.478 -17.680 -18.877 1.00 21.40 C ATOM 323 NH1 ARG A 22 -17.149 -16.552 -19.064 1.00 51.32 N ATOM 324 NH2 ARG A 22 -15.995 -18.341 -19.922 1.00 50.30 N ATOM 0 H ARG A 22 -14.818 -14.213 -12.641 1.00 41.23 H new ATOM 0 HA ARG A 22 -15.742 -13.855 -15.392 1.00 4.30 H new ATOM 0 HB2 ARG A 22 -15.751 -16.411 -13.906 1.00 23.55 H new ATOM 0 HB3 ARG A 22 -17.334 -15.938 -14.489 1.00 23.55 H new ATOM 0 HG2 ARG A 22 -16.018 -15.506 -16.762 1.00 33.53 H new ATOM 0 HG3 ARG A 22 -14.860 -16.616 -16.056 1.00 33.53 H new ATOM 0 HD2 ARG A 22 -16.830 -18.205 -15.627 1.00 45.23 H new ATOM 0 HD3 ARG A 22 -17.801 -17.135 -16.618 1.00 45.23 H new ATOM 0 HE ARG A 22 -15.767 -19.019 -17.539 1.00 1.24 H new ATOM 0 HH11 ARG A 22 -17.521 -16.041 -18.263 1.00 51.32 H new ATOM 0 HH12 ARG A 22 -17.293 -16.195 -20.009 1.00 51.32 H new ATOM 0 HH21 ARG A 22 -15.478 -19.209 -19.782 1.00 50.30 H new ATOM 0 HH22 ARG A 22 -16.141 -17.981 -20.865 1.00 50.30 H new ATOM 338 N PRO A 23 -18.106 -13.285 -14.494 1.00 52.31 N ATOM 339 CA PRO A 23 -19.288 -12.597 -13.966 1.00 4.12 C ATOM 340 C PRO A 23 -20.121 -13.492 -13.054 1.00 70.03 C ATOM 341 O PRO A 23 -20.719 -13.024 -12.086 1.00 71.13 O ATOM 342 CB PRO A 23 -20.079 -12.233 -15.225 1.00 64.22 C ATOM 343 CG PRO A 23 -19.654 -13.237 -16.242 1.00 1.54 C ATOM 344 CD PRO A 23 -18.216 -13.552 -15.938 1.00 55.41 C ATOM 0 HA PRO A 23 -19.019 -11.738 -13.352 1.00 4.12 H new ATOM 0 HB2 PRO A 23 -21.153 -12.281 -15.046 1.00 64.22 H new ATOM 0 HB3 PRO A 23 -19.856 -11.218 -15.553 1.00 64.22 H new ATOM 0 HG2 PRO A 23 -20.270 -14.134 -16.186 1.00 1.54 H new ATOM 0 HG3 PRO A 23 -19.761 -12.839 -17.251 1.00 1.54 H new ATOM 0 HD2 PRO A 23 -17.973 -14.588 -16.175 1.00 55.41 H new ATOM 0 HD3 PRO A 23 -17.537 -12.925 -16.515 1.00 55.41 H new ATOM 352 N GLY A 24 -20.156 -14.783 -13.371 1.00 54.24 N ATOM 353 CA GLY A 24 -20.918 -15.723 -12.569 1.00 2.02 C ATOM 354 C GLY A 24 -20.034 -16.721 -11.848 1.00 3.14 C ATOM 355 O GLY A 24 -20.284 -17.925 -11.889 1.00 2.33 O ATOM 0 H GLY A 24 -19.671 -15.194 -14.168 1.00 54.24 H new ATOM 0 HA2 GLY A 24 -21.512 -15.174 -11.838 1.00 2.02 H new ATOM 0 HA3 GLY A 24 -21.618 -16.259 -13.210 1.00 2.02 H new ATOM 359 N GLY A 25 -18.994 -16.221 -11.189 1.00 54.33 N ATOM 360 CA GLY A 25 -18.084 -17.091 -10.467 1.00 0.41 C ATOM 361 C GLY A 25 -17.660 -16.509 -9.134 1.00 54.41 C ATOM 362 O GLY A 25 -18.208 -15.503 -8.684 1.00 13.43 O ATOM 0 H GLY A 25 -18.765 -15.228 -11.142 1.00 54.33 H new ATOM 0 HA2 GLY A 25 -18.563 -18.056 -10.303 1.00 0.41 H new ATOM 0 HA3 GLY A 25 -17.200 -17.274 -11.078 1.00 0.41 H new ATOM 366 N LYS A 26 -16.679 -17.143 -8.498 1.00 1.24 N ATOM 367 CA LYS A 26 -16.181 -16.682 -7.208 1.00 23.50 C ATOM 368 C LYS A 26 -14.669 -16.865 -7.112 1.00 23.23 C ATOM 369 O LYS A 26 -14.159 -17.406 -6.131 1.00 43.24 O ATOM 370 CB LYS A 26 -16.869 -17.441 -6.072 1.00 41.55 C ATOM 371 CG LYS A 26 -18.253 -16.910 -5.738 1.00 44.03 C ATOM 372 CD LYS A 26 -18.237 -16.065 -4.476 1.00 72.21 C ATOM 373 CE LYS A 26 -18.160 -16.929 -3.227 1.00 52.50 C ATOM 374 NZ LYS A 26 -17.643 -16.167 -2.056 1.00 22.14 N ATOM 0 H LYS A 26 -16.214 -17.977 -8.856 1.00 1.24 H new ATOM 0 HA LYS A 26 -16.408 -15.620 -7.117 1.00 23.50 H new ATOM 0 HB2 LYS A 26 -16.949 -18.493 -6.345 1.00 41.55 H new ATOM 0 HB3 LYS A 26 -16.244 -17.389 -5.181 1.00 41.55 H new ATOM 0 HG2 LYS A 26 -18.626 -16.314 -6.571 1.00 44.03 H new ATOM 0 HG3 LYS A 26 -18.942 -17.744 -5.609 1.00 44.03 H new ATOM 0 HD2 LYS A 26 -17.385 -15.386 -4.503 1.00 72.21 H new ATOM 0 HD3 LYS A 26 -19.135 -15.449 -4.438 1.00 72.21 H new ATOM 0 HE2 LYS A 26 -19.150 -17.322 -2.996 1.00 52.50 H new ATOM 0 HE3 LYS A 26 -17.513 -17.785 -3.417 1.00 52.50 H new ATOM 0 HZ1 LYS A 26 -17.606 -16.791 -1.225 1.00 22.14 H new ATOM 0 HZ2 LYS A 26 -16.688 -15.813 -2.266 1.00 22.14 H new ATOM 0 HZ3 LYS A 26 -18.274 -15.364 -1.858 1.00 22.14 H new ATOM 388 N LYS A 27 -13.957 -16.410 -8.137 1.00 34.34 N ATOM 389 CA LYS A 27 -12.503 -16.520 -8.168 1.00 32.11 C ATOM 390 C LYS A 27 -11.866 -15.204 -8.603 1.00 43.21 C ATOM 391 O LYS A 27 -11.983 -14.801 -9.760 1.00 53.32 O ATOM 392 CB LYS A 27 -12.077 -17.643 -9.117 1.00 71.23 C ATOM 393 CG LYS A 27 -10.717 -18.234 -8.787 1.00 73.03 C ATOM 394 CD LYS A 27 -10.402 -19.433 -9.667 1.00 53.54 C ATOM 395 CE LYS A 27 -8.962 -19.890 -9.490 1.00 51.31 C ATOM 396 NZ LYS A 27 -8.254 -20.010 -10.795 1.00 0.22 N ATOM 0 H LYS A 27 -14.363 -15.961 -8.958 1.00 34.34 H new ATOM 0 HA LYS A 27 -12.160 -16.753 -7.160 1.00 32.11 H new ATOM 0 HB2 LYS A 27 -12.825 -18.435 -9.088 1.00 71.23 H new ATOM 0 HB3 LYS A 27 -12.059 -17.259 -10.137 1.00 71.23 H new ATOM 0 HG2 LYS A 27 -9.947 -17.473 -8.918 1.00 73.03 H new ATOM 0 HG3 LYS A 27 -10.694 -18.534 -7.739 1.00 73.03 H new ATOM 0 HD2 LYS A 27 -11.078 -20.253 -9.423 1.00 53.54 H new ATOM 0 HD3 LYS A 27 -10.578 -19.175 -10.711 1.00 53.54 H new ATOM 0 HE2 LYS A 27 -8.432 -19.182 -8.853 1.00 51.31 H new ATOM 0 HE3 LYS A 27 -8.947 -20.852 -8.979 1.00 51.31 H new ATOM 0 HZ1 LYS A 27 -7.276 -20.324 -10.632 1.00 0.22 H new ATOM 0 HZ2 LYS A 27 -8.745 -20.704 -11.394 1.00 0.22 H new ATOM 0 HZ3 LYS A 27 -8.246 -19.086 -11.272 1.00 0.22 H new ATOM 410 N GLN A 28 -11.193 -14.541 -7.669 1.00 33.43 N ATOM 411 CA GLN A 28 -10.538 -13.271 -7.957 1.00 31.43 C ATOM 412 C GLN A 28 -9.281 -13.484 -8.794 1.00 62.11 C ATOM 413 O GLN A 28 -8.902 -14.619 -9.085 1.00 42.23 O ATOM 414 CB GLN A 28 -10.181 -12.549 -6.656 1.00 64.11 C ATOM 415 CG GLN A 28 -11.340 -11.770 -6.055 1.00 10.14 C ATOM 416 CD GLN A 28 -11.448 -11.949 -4.554 1.00 32.14 C ATOM 417 OE1 GLN A 28 -12.456 -12.441 -4.046 1.00 75.02 O ATOM 418 NE2 GLN A 28 -10.405 -11.550 -3.834 1.00 2.50 N ATOM 0 H GLN A 28 -11.087 -14.862 -6.707 1.00 33.43 H new ATOM 0 HA GLN A 28 -11.233 -12.655 -8.527 1.00 31.43 H new ATOM 0 HB2 GLN A 28 -9.830 -13.281 -5.929 1.00 64.11 H new ATOM 0 HB3 GLN A 28 -9.354 -11.865 -6.845 1.00 64.11 H new ATOM 0 HG2 GLN A 28 -11.218 -10.711 -6.283 1.00 10.14 H new ATOM 0 HG3 GLN A 28 -12.270 -12.092 -6.523 1.00 10.14 H new ATOM 0 HE21 GLN A 28 -9.590 -11.148 -4.297 1.00 2.50 H new ATOM 0 HE22 GLN A 28 -10.419 -11.646 -2.819 1.00 2.50 H new ATOM 427 N TYR A 29 -8.639 -12.387 -9.179 1.00 14.13 N ATOM 428 CA TYR A 29 -7.426 -12.454 -9.986 1.00 34.22 C ATOM 429 C TYR A 29 -6.182 -12.445 -9.102 1.00 11.33 C ATOM 430 O TYR A 29 -6.175 -11.845 -8.027 1.00 54.24 O ATOM 431 CB TYR A 29 -7.376 -11.282 -10.968 1.00 3.21 C ATOM 432 CG TYR A 29 -7.864 -11.633 -12.355 1.00 2.34 C ATOM 433 CD1 TYR A 29 -7.023 -12.246 -13.274 1.00 22.53 C ATOM 434 CD2 TYR A 29 -9.167 -11.350 -12.747 1.00 12.42 C ATOM 435 CE1 TYR A 29 -7.464 -12.568 -14.543 1.00 21.02 C ATOM 436 CE2 TYR A 29 -9.617 -11.669 -14.013 1.00 44.55 C ATOM 437 CZ TYR A 29 -8.763 -12.278 -14.907 1.00 71.21 C ATOM 438 OH TYR A 29 -9.207 -12.597 -16.170 1.00 2.41 O ATOM 0 H TYR A 29 -8.938 -11.440 -8.945 1.00 14.13 H new ATOM 0 HA TYR A 29 -7.444 -13.389 -10.547 1.00 34.22 H new ATOM 0 HB2 TYR A 29 -7.980 -10.464 -10.576 1.00 3.21 H new ATOM 0 HB3 TYR A 29 -6.351 -10.918 -11.034 1.00 3.21 H new ATOM 0 HD1 TYR A 29 -6.006 -12.475 -12.992 1.00 22.53 H new ATOM 0 HD2 TYR A 29 -9.839 -10.872 -12.050 1.00 12.42 H new ATOM 0 HE1 TYR A 29 -6.796 -13.044 -15.246 1.00 21.02 H new ATOM 0 HE2 TYR A 29 -10.633 -11.442 -14.301 1.00 44.55 H new ATOM 0 HH TYR A 29 -10.172 -12.438 -16.227 1.00 2.41 H new ATOM 448 N LYS A 30 -5.132 -13.113 -9.564 1.00 43.24 N ATOM 449 CA LYS A 30 -3.881 -13.183 -8.818 1.00 63.13 C ATOM 450 C LYS A 30 -2.683 -13.022 -9.750 1.00 40.44 C ATOM 451 O LYS A 30 -2.813 -13.133 -10.969 1.00 25.10 O ATOM 452 CB LYS A 30 -3.782 -14.514 -8.069 1.00 33.44 C ATOM 453 CG LYS A 30 -4.400 -14.478 -6.682 1.00 33.52 C ATOM 454 CD LYS A 30 -3.340 -14.576 -5.597 1.00 13.33 C ATOM 455 CE LYS A 30 -3.907 -15.166 -4.316 1.00 14.45 C ATOM 456 NZ LYS A 30 -3.799 -16.651 -4.293 1.00 21.23 N ATOM 0 H LYS A 30 -5.122 -13.614 -10.452 1.00 43.24 H new ATOM 0 HA LYS A 30 -3.872 -12.366 -8.096 1.00 63.13 H new ATOM 0 HB2 LYS A 30 -4.273 -15.290 -8.657 1.00 33.44 H new ATOM 0 HB3 LYS A 30 -2.733 -14.796 -7.983 1.00 33.44 H new ATOM 0 HG2 LYS A 30 -4.965 -13.554 -6.558 1.00 33.52 H new ATOM 0 HG3 LYS A 30 -5.107 -15.300 -6.576 1.00 33.52 H new ATOM 0 HD2 LYS A 30 -2.514 -15.194 -5.949 1.00 13.33 H new ATOM 0 HD3 LYS A 30 -2.933 -13.585 -5.394 1.00 13.33 H new ATOM 0 HE2 LYS A 30 -3.377 -14.750 -3.459 1.00 14.45 H new ATOM 0 HE3 LYS A 30 -4.953 -14.876 -4.215 1.00 14.45 H new ATOM 0 HZ1 LYS A 30 -4.197 -17.014 -3.403 1.00 21.23 H new ATOM 0 HZ2 LYS A 30 -4.326 -17.050 -5.096 1.00 21.23 H new ATOM 0 HZ3 LYS A 30 -2.799 -16.927 -4.364 1.00 21.23 H new ATOM 470 N LEU A 31 -1.518 -12.761 -9.168 1.00 52.45 N ATOM 471 CA LEU A 31 -0.296 -12.587 -9.945 1.00 12.04 C ATOM 472 C LEU A 31 -0.085 -13.759 -10.898 1.00 51.55 C ATOM 473 O LEU A 31 0.471 -13.598 -11.984 1.00 4.11 O ATOM 474 CB LEU A 31 0.910 -12.448 -9.014 1.00 2.31 C ATOM 475 CG LEU A 31 1.842 -11.268 -9.294 1.00 3.40 C ATOM 476 CD1 LEU A 31 1.248 -9.978 -8.747 1.00 62.32 C ATOM 477 CD2 LEU A 31 3.217 -11.521 -8.694 1.00 5.52 C ATOM 0 H LEU A 31 -1.394 -12.665 -8.160 1.00 52.45 H new ATOM 0 HA LEU A 31 -0.397 -11.676 -10.535 1.00 12.04 H new ATOM 0 HB2 LEU A 31 0.545 -12.362 -7.990 1.00 2.31 H new ATOM 0 HB3 LEU A 31 1.494 -13.367 -9.069 1.00 2.31 H new ATOM 0 HG LEU A 31 1.952 -11.164 -10.373 1.00 3.40 H new ATOM 0 HD11 LEU A 31 1.924 -9.149 -8.955 1.00 62.32 H new ATOM 0 HD12 LEU A 31 0.286 -9.790 -9.223 1.00 62.32 H new ATOM 0 HD13 LEU A 31 1.108 -10.070 -7.670 1.00 62.32 H new ATOM 0 HD21 LEU A 31 3.867 -10.671 -8.903 1.00 5.52 H new ATOM 0 HD22 LEU A 31 3.125 -11.651 -7.616 1.00 5.52 H new ATOM 0 HD23 LEU A 31 3.645 -12.422 -9.133 1.00 5.52 H new ATOM 489 N LYS A 32 -0.534 -14.939 -10.484 1.00 41.25 N ATOM 490 CA LYS A 32 -0.398 -16.138 -11.301 1.00 64.04 C ATOM 491 C LYS A 32 -0.941 -15.905 -12.707 1.00 54.24 C ATOM 492 O LYS A 32 -0.365 -16.372 -13.691 1.00 13.14 O ATOM 493 CB LYS A 32 -1.134 -17.311 -10.648 1.00 75.53 C ATOM 494 CG LYS A 32 -0.858 -18.648 -11.313 1.00 44.21 C ATOM 495 CD LYS A 32 -1.836 -19.714 -10.848 1.00 64.10 C ATOM 496 CE LYS A 32 -1.346 -20.407 -9.585 1.00 52.32 C ATOM 497 NZ LYS A 32 -1.439 -19.517 -8.394 1.00 44.50 N ATOM 0 H LYS A 32 -0.995 -15.090 -9.587 1.00 41.25 H new ATOM 0 HA LYS A 32 0.663 -16.377 -11.375 1.00 64.04 H new ATOM 0 HB2 LYS A 32 -0.846 -17.371 -9.598 1.00 75.53 H new ATOM 0 HB3 LYS A 32 -2.206 -17.116 -10.674 1.00 75.53 H new ATOM 0 HG2 LYS A 32 -0.926 -18.538 -12.395 1.00 44.21 H new ATOM 0 HG3 LYS A 32 0.161 -18.964 -11.088 1.00 44.21 H new ATOM 0 HD2 LYS A 32 -2.809 -19.260 -10.661 1.00 64.10 H new ATOM 0 HD3 LYS A 32 -1.975 -20.452 -11.638 1.00 64.10 H new ATOM 0 HE2 LYS A 32 -1.935 -21.308 -9.413 1.00 52.32 H new ATOM 0 HE3 LYS A 32 -0.312 -20.724 -9.722 1.00 52.32 H new ATOM 0 HZ1 LYS A 32 -1.650 -20.087 -7.550 1.00 44.50 H new ATOM 0 HZ2 LYS A 32 -0.535 -19.021 -8.260 1.00 44.50 H new ATOM 0 HZ3 LYS A 32 -2.198 -18.821 -8.539 1.00 44.50 H new ATOM 511 N HIS A 33 -2.050 -15.178 -12.795 1.00 0.22 N ATOM 512 CA HIS A 33 -2.669 -14.879 -14.081 1.00 21.35 C ATOM 513 C HIS A 33 -1.870 -13.820 -14.835 1.00 52.40 C ATOM 514 O HIS A 33 -1.768 -13.951 -16.055 1.00 0.52 O ATOM 515 CB HIS A 33 -4.109 -14.402 -13.880 1.00 33.52 C ATOM 516 CG HIS A 33 -4.895 -15.254 -12.933 1.00 23.14 C ATOM 517 ND1 HIS A 33 -5.719 -14.732 -11.958 1.00 44.24 N ATOM 518 CD2 HIS A 33 -4.981 -16.600 -12.815 1.00 30.53 C ATOM 519 CE1 HIS A 33 -6.276 -15.721 -11.282 1.00 41.54 C ATOM 520 NE2 HIS A 33 -5.846 -16.864 -11.783 1.00 41.11 N ATOM 0 H HIS A 33 -2.539 -14.785 -11.991 1.00 0.22 H new ATOM 0 HA HIS A 33 -2.677 -15.794 -14.674 1.00 21.35 H new ATOM 0 HB2 HIS A 33 -4.095 -13.378 -13.508 1.00 33.52 H new ATOM 0 HB3 HIS A 33 -4.615 -14.384 -14.845 1.00 33.52 H new ATOM 0 HD2 HIS A 33 -4.465 -17.330 -13.421 1.00 30.53 H new ATOM 0 HE1 HIS A 33 -6.966 -15.613 -10.459 1.00 41.54 H new ATOM 0 HE2 HIS A 33 -6.113 -17.793 -11.456 1.00 41.11 H new ATOM 528 N ILE A 34 -1.321 -12.810 -14.166 1.00 65.44 N ATOM 529 CA ILE A 34 -0.549 -11.777 -14.844 1.00 15.23 C ATOM 530 C ILE A 34 0.699 -12.361 -15.495 1.00 75.53 C ATOM 531 O ILE A 34 1.098 -11.946 -16.583 1.00 1.13 O ATOM 532 CB ILE A 34 -0.132 -10.659 -13.871 1.00 54.40 C ATOM 533 CG1 ILE A 34 -1.364 -10.062 -13.187 1.00 15.02 C ATOM 534 CG2 ILE A 34 0.646 -9.578 -14.608 1.00 64.13 C ATOM 535 CD1 ILE A 34 -1.031 -9.188 -11.998 1.00 72.34 C ATOM 0 H ILE A 34 -1.397 -12.686 -13.156 1.00 65.44 H new ATOM 0 HA ILE A 34 -1.194 -11.356 -15.615 1.00 15.23 H new ATOM 0 HB ILE A 34 0.514 -11.087 -13.105 1.00 54.40 H new ATOM 0 HG12 ILE A 34 -1.924 -9.474 -13.914 1.00 15.02 H new ATOM 0 HG13 ILE A 34 -2.017 -10.872 -12.861 1.00 15.02 H new ATOM 0 HG21 ILE A 34 0.934 -8.795 -13.907 1.00 64.13 H new ATOM 0 HG22 ILE A 34 1.541 -10.013 -15.053 1.00 64.13 H new ATOM 0 HG23 ILE A 34 0.021 -9.151 -15.393 1.00 64.13 H new ATOM 0 HD11 ILE A 34 -1.952 -8.799 -11.563 1.00 72.34 H new ATOM 0 HD12 ILE A 34 -0.497 -9.777 -11.252 1.00 72.34 H new ATOM 0 HD13 ILE A 34 -0.404 -8.357 -12.321 1.00 72.34 H new ATOM 547 N VAL A 35 1.314 -13.329 -14.822 1.00 51.44 N ATOM 548 CA VAL A 35 2.517 -13.974 -15.336 1.00 15.43 C ATOM 549 C VAL A 35 2.169 -15.064 -16.343 1.00 42.44 C ATOM 550 O VAL A 35 2.867 -15.249 -17.339 1.00 11.23 O ATOM 551 CB VAL A 35 3.354 -14.588 -14.198 1.00 4.20 C ATOM 552 CG1 VAL A 35 4.586 -15.282 -14.757 1.00 61.34 C ATOM 553 CG2 VAL A 35 3.745 -13.520 -13.189 1.00 53.43 C ATOM 0 H VAL A 35 0.999 -13.684 -13.919 1.00 51.44 H new ATOM 0 HA VAL A 35 3.104 -13.201 -15.832 1.00 15.43 H new ATOM 0 HB VAL A 35 2.747 -15.334 -13.685 1.00 4.20 H new ATOM 0 HG11 VAL A 35 5.165 -15.710 -13.939 1.00 61.34 H new ATOM 0 HG12 VAL A 35 4.279 -16.076 -15.438 1.00 61.34 H new ATOM 0 HG13 VAL A 35 5.198 -14.559 -15.296 1.00 61.34 H new ATOM 0 HG21 VAL A 35 4.336 -13.971 -12.392 1.00 53.43 H new ATOM 0 HG22 VAL A 35 4.334 -12.749 -13.685 1.00 53.43 H new ATOM 0 HG23 VAL A 35 2.846 -13.073 -12.765 1.00 53.43 H new ATOM 563 N TRP A 36 1.085 -15.783 -16.074 1.00 63.24 N ATOM 564 CA TRP A 36 0.643 -16.857 -16.958 1.00 32.23 C ATOM 565 C TRP A 36 0.437 -16.343 -18.379 1.00 73.44 C ATOM 566 O TRP A 36 0.673 -17.062 -19.349 1.00 63.45 O ATOM 567 CB TRP A 36 -0.654 -17.476 -16.433 1.00 11.24 C ATOM 568 CG TRP A 36 -1.262 -18.469 -17.376 1.00 23.13 C ATOM 569 CD1 TRP A 36 -1.167 -19.830 -17.306 1.00 3.22 C ATOM 570 CD2 TRP A 36 -2.056 -18.179 -18.532 1.00 22.30 C ATOM 571 NE1 TRP A 36 -1.855 -20.403 -18.349 1.00 42.35 N ATOM 572 CE2 TRP A 36 -2.410 -19.412 -19.115 1.00 52.43 C ATOM 573 CE3 TRP A 36 -2.503 -16.998 -19.131 1.00 62.12 C ATOM 574 CZ2 TRP A 36 -3.189 -19.495 -20.266 1.00 75.51 C ATOM 575 CZ3 TRP A 36 -3.276 -17.082 -20.273 1.00 2.41 C ATOM 576 CH2 TRP A 36 -3.613 -18.323 -20.830 1.00 23.45 C ATOM 0 H TRP A 36 0.497 -15.643 -15.253 1.00 63.24 H new ATOM 0 HA TRP A 36 1.420 -17.621 -16.977 1.00 32.23 H new ATOM 0 HB2 TRP A 36 -0.455 -17.966 -15.480 1.00 11.24 H new ATOM 0 HB3 TRP A 36 -1.375 -16.682 -16.239 1.00 11.24 H new ATOM 0 HD1 TRP A 36 -0.630 -20.375 -16.544 1.00 3.22 H new ATOM 0 HE1 TRP A 36 -1.939 -21.404 -18.524 1.00 42.35 H new ATOM 0 HE3 TRP A 36 -2.249 -16.037 -18.709 1.00 62.12 H new ATOM 0 HZ2 TRP A 36 -3.449 -20.450 -20.698 1.00 75.51 H new ATOM 0 HZ3 TRP A 36 -3.627 -16.176 -20.745 1.00 2.41 H new ATOM 0 HH2 TRP A 36 -4.220 -18.355 -21.723 1.00 23.45 H new ATOM 587 N ALA A 37 -0.002 -15.094 -18.494 1.00 10.43 N ATOM 588 CA ALA A 37 -0.237 -14.483 -19.796 1.00 63.44 C ATOM 589 C ALA A 37 1.075 -14.065 -20.450 1.00 10.42 C ATOM 590 O ALA A 37 1.188 -14.039 -21.675 1.00 20.34 O ATOM 591 CB ALA A 37 -1.167 -13.287 -19.659 1.00 73.33 C ATOM 0 H ALA A 37 -0.202 -14.485 -17.700 1.00 10.43 H new ATOM 0 HA ALA A 37 -0.712 -15.225 -20.438 1.00 63.44 H new ATOM 0 HB1 ALA A 37 -1.333 -12.841 -20.640 1.00 73.33 H new ATOM 0 HB2 ALA A 37 -2.120 -13.613 -19.242 1.00 73.33 H new ATOM 0 HB3 ALA A 37 -0.715 -12.549 -18.997 1.00 73.33 H new ATOM 597 N SER A 38 2.064 -13.736 -19.625 1.00 31.32 N ATOM 598 CA SER A 38 3.368 -13.313 -20.124 1.00 1.23 C ATOM 599 C SER A 38 4.113 -14.484 -20.755 1.00 64.01 C ATOM 600 O SER A 38 4.670 -14.364 -21.846 1.00 33.31 O ATOM 601 CB SER A 38 4.201 -12.714 -18.990 1.00 14.23 C ATOM 602 OG SER A 38 4.062 -11.304 -18.943 1.00 3.04 O ATOM 0 H SER A 38 1.987 -13.754 -18.608 1.00 31.32 H new ATOM 0 HA SER A 38 3.209 -12.552 -20.888 1.00 1.23 H new ATOM 0 HB2 SER A 38 3.889 -13.145 -18.039 1.00 14.23 H new ATOM 0 HB3 SER A 38 5.250 -12.974 -19.129 1.00 14.23 H new ATOM 0 HG SER A 38 4.603 -10.946 -18.208 1.00 3.04 H new ATOM 608 N ARG A 39 4.120 -15.617 -20.060 1.00 11.00 N ATOM 609 CA ARG A 39 4.798 -16.810 -20.551 1.00 63.31 C ATOM 610 C ARG A 39 4.090 -17.372 -21.781 1.00 41.34 C ATOM 611 O ARG A 39 4.717 -17.980 -22.646 1.00 53.12 O ATOM 612 CB ARG A 39 4.859 -17.876 -19.454 1.00 31.23 C ATOM 613 CG ARG A 39 6.260 -18.113 -18.914 1.00 53.41 C ATOM 614 CD ARG A 39 6.254 -19.120 -17.774 1.00 35.11 C ATOM 615 NE ARG A 39 6.874 -20.385 -18.159 1.00 12.53 N ATOM 616 CZ ARG A 39 7.201 -21.337 -17.292 1.00 42.31 C ATOM 617 NH1 ARG A 39 6.967 -21.168 -15.997 1.00 13.12 N ATOM 618 NH2 ARG A 39 7.761 -22.461 -17.719 1.00 61.12 N ATOM 0 H ARG A 39 3.664 -15.733 -19.155 1.00 11.00 H new ATOM 0 HA ARG A 39 5.813 -16.529 -20.834 1.00 63.31 H new ATOM 0 HB2 ARG A 39 4.207 -17.578 -18.633 1.00 31.23 H new ATOM 0 HB3 ARG A 39 4.467 -18.814 -19.848 1.00 31.23 H new ATOM 0 HG2 ARG A 39 6.904 -18.473 -19.716 1.00 53.41 H new ATOM 0 HG3 ARG A 39 6.681 -17.170 -18.566 1.00 53.41 H new ATOM 0 HD2 ARG A 39 6.784 -18.702 -16.918 1.00 35.11 H new ATOM 0 HD3 ARG A 39 5.227 -19.301 -17.456 1.00 35.11 H new ATOM 0 HE ARG A 39 7.066 -20.546 -19.148 1.00 12.53 H new ATOM 0 HH11 ARG A 39 6.535 -20.306 -15.665 1.00 13.12 H new ATOM 0 HH12 ARG A 39 7.219 -21.900 -15.333 1.00 13.12 H new ATOM 0 HH21 ARG A 39 7.941 -22.595 -18.714 1.00 61.12 H new ATOM 0 HH22 ARG A 39 8.012 -23.191 -17.052 1.00 61.12 H new ATOM 632 N GLU A 40 2.778 -17.163 -21.849 1.00 10.11 N ATOM 633 CA GLU A 40 1.985 -17.650 -22.971 1.00 14.02 C ATOM 634 C GLU A 40 2.032 -16.666 -24.138 1.00 52.53 C ATOM 635 O GLU A 40 1.859 -17.050 -25.295 1.00 72.52 O ATOM 636 CB GLU A 40 0.535 -17.877 -22.540 1.00 60.13 C ATOM 637 CG GLU A 40 -0.127 -19.057 -23.230 1.00 43.13 C ATOM 638 CD GLU A 40 -0.125 -20.310 -22.375 1.00 33.45 C ATOM 639 OE1 GLU A 40 0.964 -20.707 -21.909 1.00 14.31 O ATOM 640 OE2 GLU A 40 -1.210 -20.893 -22.173 1.00 61.34 O ATOM 0 H GLU A 40 2.243 -16.660 -21.141 1.00 10.11 H new ATOM 0 HA GLU A 40 2.411 -18.598 -23.299 1.00 14.02 H new ATOM 0 HB2 GLU A 40 0.506 -18.034 -21.462 1.00 60.13 H new ATOM 0 HB3 GLU A 40 -0.042 -16.976 -22.747 1.00 60.13 H new ATOM 0 HG2 GLU A 40 -1.155 -18.796 -23.482 1.00 43.13 H new ATOM 0 HG3 GLU A 40 0.389 -19.261 -24.168 1.00 43.13 H new ATOM 647 N LEU A 41 2.267 -15.397 -23.823 1.00 24.04 N ATOM 648 CA LEU A 41 2.335 -14.357 -24.844 1.00 33.30 C ATOM 649 C LEU A 41 3.601 -14.501 -25.684 1.00 51.42 C ATOM 650 O LEU A 41 3.548 -14.471 -26.912 1.00 31.20 O ATOM 651 CB LEU A 41 2.296 -12.973 -24.193 1.00 34.12 C ATOM 652 CG LEU A 41 0.929 -12.288 -24.156 1.00 61.13 C ATOM 653 CD1 LEU A 41 1.024 -10.947 -23.446 1.00 55.02 C ATOM 654 CD2 LEU A 41 0.383 -12.109 -25.565 1.00 72.34 C ATOM 0 H LEU A 41 2.413 -15.064 -22.870 1.00 24.04 H new ATOM 0 HA LEU A 41 1.471 -14.468 -25.500 1.00 33.30 H new ATOM 0 HB2 LEU A 41 2.663 -13.064 -23.171 1.00 34.12 H new ATOM 0 HB3 LEU A 41 2.992 -12.324 -24.725 1.00 34.12 H new ATOM 0 HG LEU A 41 0.241 -12.924 -23.599 1.00 61.13 H new ATOM 0 HD11 LEU A 41 0.042 -10.474 -23.429 1.00 55.02 H new ATOM 0 HD12 LEU A 41 1.371 -11.100 -22.424 1.00 55.02 H new ATOM 0 HD13 LEU A 41 1.727 -10.304 -23.975 1.00 55.02 H new ATOM 0 HD21 LEU A 41 -0.590 -11.620 -25.519 1.00 72.34 H new ATOM 0 HD22 LEU A 41 1.071 -11.495 -26.146 1.00 72.34 H new ATOM 0 HD23 LEU A 41 0.277 -13.084 -26.041 1.00 72.34 H new ATOM 666 N GLU A 42 4.737 -14.659 -25.009 1.00 23.53 N ATOM 667 CA GLU A 42 6.015 -14.809 -25.695 1.00 53.02 C ATOM 668 C GLU A 42 5.970 -15.971 -26.683 1.00 40.14 C ATOM 669 O GLU A 42 6.710 -15.993 -27.666 1.00 35.45 O ATOM 670 CB GLU A 42 7.140 -15.030 -24.680 1.00 5.45 C ATOM 671 CG GLU A 42 8.466 -15.410 -25.315 1.00 64.52 C ATOM 672 CD GLU A 42 9.653 -15.072 -24.435 1.00 61.21 C ATOM 673 OE1 GLU A 42 9.434 -14.629 -23.289 1.00 13.24 O ATOM 674 OE2 GLU A 42 10.801 -15.253 -24.892 1.00 21.35 O ATOM 0 H GLU A 42 4.797 -14.686 -23.991 1.00 23.53 H new ATOM 0 HA GLU A 42 6.211 -13.892 -26.250 1.00 53.02 H new ATOM 0 HB2 GLU A 42 7.274 -14.120 -24.095 1.00 5.45 H new ATOM 0 HB3 GLU A 42 6.842 -15.815 -23.985 1.00 5.45 H new ATOM 0 HG2 GLU A 42 8.469 -16.479 -25.528 1.00 64.52 H new ATOM 0 HG3 GLU A 42 8.568 -14.894 -26.270 1.00 64.52 H new ATOM 681 N ARG A 43 5.097 -16.936 -26.412 1.00 51.11 N ATOM 682 CA ARG A 43 4.957 -18.103 -27.274 1.00 31.44 C ATOM 683 C ARG A 43 4.261 -17.732 -28.582 1.00 71.34 C ATOM 684 O ARG A 43 4.465 -18.377 -29.611 1.00 42.53 O ATOM 685 CB ARG A 43 4.169 -19.201 -26.559 1.00 11.33 C ATOM 686 CG ARG A 43 4.877 -19.762 -25.337 1.00 32.32 C ATOM 687 CD ARG A 43 5.103 -21.260 -25.464 1.00 73.53 C ATOM 688 NE ARG A 43 5.064 -21.931 -24.167 1.00 63.42 N ATOM 689 CZ ARG A 43 5.182 -23.246 -24.016 1.00 13.44 C ATOM 690 NH1 ARG A 43 5.346 -24.026 -25.075 1.00 61.23 N ATOM 691 NH2 ARG A 43 5.135 -23.782 -22.803 1.00 23.43 N ATOM 0 H ARG A 43 4.476 -16.932 -25.603 1.00 51.11 H new ATOM 0 HA ARG A 43 5.955 -18.474 -27.505 1.00 31.44 H new ATOM 0 HB2 ARG A 43 3.201 -18.803 -26.256 1.00 11.33 H new ATOM 0 HB3 ARG A 43 3.975 -20.013 -27.260 1.00 11.33 H new ATOM 0 HG2 ARG A 43 5.835 -19.258 -25.207 1.00 32.32 H new ATOM 0 HG3 ARG A 43 4.285 -19.556 -24.445 1.00 32.32 H new ATOM 0 HD2 ARG A 43 4.342 -21.688 -26.116 1.00 73.53 H new ATOM 0 HD3 ARG A 43 6.068 -21.442 -25.938 1.00 73.53 H new ATOM 0 HE ARG A 43 4.939 -21.359 -23.332 1.00 63.42 H new ATOM 0 HH11 ARG A 43 5.382 -23.617 -26.009 1.00 61.23 H new ATOM 0 HH12 ARG A 43 5.436 -25.035 -24.956 1.00 61.23 H new ATOM 0 HH21 ARG A 43 5.008 -23.185 -21.986 1.00 23.43 H new ATOM 0 HH22 ARG A 43 5.226 -24.791 -22.688 1.00 23.43 H new ATOM 705 N PHE A 44 3.440 -16.689 -28.533 1.00 31.45 N ATOM 706 CA PHE A 44 2.713 -16.233 -29.712 1.00 34.44 C ATOM 707 C PHE A 44 3.455 -15.090 -30.401 1.00 12.22 C ATOM 708 O PHE A 44 2.844 -14.240 -31.048 1.00 52.23 O ATOM 709 CB PHE A 44 1.304 -15.780 -29.325 1.00 21.43 C ATOM 710 CG PHE A 44 0.388 -16.914 -28.965 1.00 11.30 C ATOM 711 CD1 PHE A 44 -0.021 -17.825 -29.926 1.00 60.50 C ATOM 712 CD2 PHE A 44 -0.066 -17.069 -27.665 1.00 40.14 C ATOM 713 CE1 PHE A 44 -0.862 -18.870 -29.598 1.00 3.42 C ATOM 714 CE2 PHE A 44 -0.909 -18.113 -27.331 1.00 52.20 C ATOM 715 CZ PHE A 44 -1.308 -19.013 -28.298 1.00 20.11 C ATOM 0 H PHE A 44 3.261 -16.143 -27.690 1.00 31.45 H new ATOM 0 HA PHE A 44 2.641 -17.068 -30.408 1.00 34.44 H new ATOM 0 HB2 PHE A 44 1.371 -15.095 -28.480 1.00 21.43 H new ATOM 0 HB3 PHE A 44 0.870 -15.222 -30.154 1.00 21.43 H new ATOM 0 HD1 PHE A 44 0.322 -17.716 -30.944 1.00 60.50 H new ATOM 0 HD2 PHE A 44 0.242 -16.367 -26.904 1.00 40.14 H new ATOM 0 HE1 PHE A 44 -1.171 -19.574 -30.356 1.00 3.42 H new ATOM 0 HE2 PHE A 44 -1.255 -18.224 -26.314 1.00 52.20 H new ATOM 0 HZ PHE A 44 -1.968 -19.828 -28.039 1.00 20.11 H new ATOM 725 N ALA A 45 4.776 -15.078 -30.255 1.00 55.53 N ATOM 726 CA ALA A 45 5.602 -14.042 -30.862 1.00 1.14 C ATOM 727 C ALA A 45 5.278 -12.670 -30.282 1.00 51.15 C ATOM 728 O ALA A 45 5.557 -11.642 -30.898 1.00 24.34 O ATOM 729 CB ALA A 45 5.413 -14.036 -32.372 1.00 75.30 C ATOM 0 H ALA A 45 5.297 -15.774 -29.722 1.00 55.53 H new ATOM 0 HA ALA A 45 6.645 -14.265 -30.637 1.00 1.14 H new ATOM 0 HB1 ALA A 45 6.035 -13.258 -32.813 1.00 75.30 H new ATOM 0 HB2 ALA A 45 5.701 -15.005 -32.779 1.00 75.30 H new ATOM 0 HB3 ALA A 45 4.367 -13.841 -32.607 1.00 75.30 H new ATOM 735 N VAL A 46 4.689 -12.661 -29.090 1.00 30.31 N ATOM 736 CA VAL A 46 4.327 -11.415 -28.425 1.00 64.32 C ATOM 737 C VAL A 46 5.063 -11.267 -27.098 1.00 61.04 C ATOM 738 O VAL A 46 4.849 -12.043 -26.167 1.00 4.35 O ATOM 739 CB VAL A 46 2.810 -11.334 -28.170 1.00 33.30 C ATOM 740 CG1 VAL A 46 2.461 -10.048 -27.438 1.00 43.40 C ATOM 741 CG2 VAL A 46 2.044 -11.437 -29.480 1.00 62.43 C ATOM 0 H VAL A 46 4.452 -13.503 -28.565 1.00 30.31 H new ATOM 0 HA VAL A 46 4.619 -10.604 -29.092 1.00 64.32 H new ATOM 0 HB VAL A 46 2.519 -12.174 -27.539 1.00 33.30 H new ATOM 0 HG11 VAL A 46 1.385 -10.008 -27.266 1.00 43.40 H new ATOM 0 HG12 VAL A 46 2.983 -10.021 -26.481 1.00 43.40 H new ATOM 0 HG13 VAL A 46 2.765 -9.192 -28.041 1.00 43.40 H new ATOM 0 HG21 VAL A 46 0.974 -11.378 -29.281 1.00 62.43 H new ATOM 0 HG22 VAL A 46 2.337 -10.619 -30.138 1.00 62.43 H new ATOM 0 HG23 VAL A 46 2.272 -12.388 -29.961 1.00 62.43 H new ATOM 751 N ASN A 47 5.932 -10.265 -27.018 1.00 32.30 N ATOM 752 CA ASN A 47 6.701 -10.015 -25.804 1.00 11.45 C ATOM 753 C ASN A 47 5.778 -9.694 -24.632 1.00 62.42 C ATOM 754 O ASN A 47 4.742 -9.046 -24.784 1.00 32.30 O ATOM 755 CB ASN A 47 7.682 -8.861 -26.025 1.00 63.31 C ATOM 756 CG ASN A 47 8.851 -9.258 -26.905 1.00 53.13 C ATOM 757 OD1 ASN A 47 8.683 -9.538 -28.091 1.00 1.25 O ATOM 758 ND2 ASN A 47 10.046 -9.283 -26.325 1.00 31.32 N ATOM 0 H ASN A 47 6.121 -9.613 -27.779 1.00 32.30 H new ATOM 0 HA ASN A 47 7.261 -10.919 -25.566 1.00 11.45 H new ATOM 0 HB2 ASN A 47 7.156 -8.022 -26.481 1.00 63.31 H new ATOM 0 HB3 ASN A 47 8.057 -8.516 -25.061 1.00 63.31 H new ATOM 0 HD21 ASN A 47 10.871 -9.542 -26.867 1.00 31.32 H new ATOM 0 HD22 ASN A 47 10.139 -9.043 -25.338 1.00 31.32 H new ATOM 765 N PRO A 48 6.161 -10.159 -23.433 1.00 30.34 N ATOM 766 CA PRO A 48 5.383 -9.933 -22.212 1.00 44.32 C ATOM 767 C PRO A 48 5.412 -8.475 -21.766 1.00 33.42 C ATOM 768 O PRO A 48 4.661 -8.072 -20.879 1.00 13.12 O ATOM 769 CB PRO A 48 6.078 -10.823 -21.179 1.00 33.31 C ATOM 770 CG PRO A 48 7.475 -10.961 -21.678 1.00 14.00 C ATOM 771 CD PRO A 48 7.383 -10.939 -23.178 1.00 34.33 C ATOM 0 HA PRO A 48 4.327 -10.165 -22.353 1.00 44.32 H new ATOM 0 HB2 PRO A 48 6.054 -10.371 -20.187 1.00 33.31 H new ATOM 0 HB3 PRO A 48 5.588 -11.794 -21.099 1.00 33.31 H new ATOM 0 HG2 PRO A 48 8.102 -10.147 -21.314 1.00 14.00 H new ATOM 0 HG3 PRO A 48 7.924 -11.890 -21.328 1.00 14.00 H new ATOM 0 HD2 PRO A 48 8.259 -10.472 -23.628 1.00 34.33 H new ATOM 0 HD3 PRO A 48 7.311 -11.945 -23.591 1.00 34.33 H new ATOM 779 N GLY A 49 6.286 -7.689 -22.388 1.00 15.20 N ATOM 780 CA GLY A 49 6.398 -6.284 -22.041 1.00 11.03 C ATOM 781 C GLY A 49 5.169 -5.490 -22.437 1.00 45.01 C ATOM 782 O GLY A 49 4.999 -4.344 -22.017 1.00 41.31 O ATOM 0 H GLY A 49 6.918 -8.000 -23.126 1.00 15.20 H new ATOM 0 HA2 GLY A 49 6.557 -6.190 -20.967 1.00 11.03 H new ATOM 0 HA3 GLY A 49 7.274 -5.860 -22.532 1.00 11.03 H new ATOM 786 N LEU A 50 4.310 -6.098 -23.248 1.00 33.03 N ATOM 787 CA LEU A 50 3.090 -5.439 -23.702 1.00 22.43 C ATOM 788 C LEU A 50 2.031 -5.438 -22.605 1.00 5.23 C ATOM 789 O LEU A 50 1.130 -4.597 -22.598 1.00 64.13 O ATOM 790 CB LEU A 50 2.546 -6.135 -24.951 1.00 60.33 C ATOM 791 CG LEU A 50 3.520 -6.271 -26.122 1.00 63.54 C ATOM 792 CD1 LEU A 50 2.820 -6.871 -27.332 1.00 34.52 C ATOM 793 CD2 LEU A 50 4.129 -4.922 -26.470 1.00 14.44 C ATOM 0 H LEU A 50 4.435 -7.045 -23.604 1.00 33.03 H new ATOM 0 HA LEU A 50 3.334 -4.405 -23.946 1.00 22.43 H new ATOM 0 HB2 LEU A 50 2.207 -7.132 -24.669 1.00 60.33 H new ATOM 0 HB3 LEU A 50 1.669 -5.586 -25.295 1.00 60.33 H new ATOM 0 HG LEU A 50 4.325 -6.943 -25.823 1.00 63.54 H new ATOM 0 HD11 LEU A 50 3.529 -6.960 -28.155 1.00 34.52 H new ATOM 0 HD12 LEU A 50 2.434 -7.858 -27.077 1.00 34.52 H new ATOM 0 HD13 LEU A 50 1.995 -6.225 -27.632 1.00 34.52 H new ATOM 0 HD21 LEU A 50 4.819 -5.039 -27.305 1.00 14.44 H new ATOM 0 HD22 LEU A 50 3.337 -4.226 -26.748 1.00 14.44 H new ATOM 0 HD23 LEU A 50 4.668 -4.532 -25.606 1.00 14.44 H new ATOM 805 N LEU A 51 2.146 -6.382 -21.678 1.00 1.24 N ATOM 806 CA LEU A 51 1.199 -6.488 -20.573 1.00 62.30 C ATOM 807 C LEU A 51 1.498 -5.449 -19.497 1.00 72.42 C ATOM 808 O LEU A 51 0.632 -5.108 -18.693 1.00 3.31 O ATOM 809 CB LEU A 51 1.247 -7.892 -19.969 1.00 63.24 C ATOM 810 CG LEU A 51 0.620 -9.006 -20.808 1.00 64.34 C ATOM 811 CD1 LEU A 51 1.059 -10.371 -20.298 1.00 22.14 C ATOM 812 CD2 LEU A 51 -0.897 -8.893 -20.797 1.00 45.44 C ATOM 0 H LEU A 51 2.885 -7.085 -21.669 1.00 1.24 H new ATOM 0 HA LEU A 51 0.199 -6.301 -20.964 1.00 62.30 H new ATOM 0 HB2 LEU A 51 2.289 -8.149 -19.781 1.00 63.24 H new ATOM 0 HB3 LEU A 51 0.745 -7.867 -19.002 1.00 63.24 H new ATOM 0 HG LEU A 51 0.965 -8.897 -21.836 1.00 64.34 H new ATOM 0 HD11 LEU A 51 0.603 -11.151 -20.907 1.00 22.14 H new ATOM 0 HD12 LEU A 51 2.144 -10.451 -20.360 1.00 22.14 H new ATOM 0 HD13 LEU A 51 0.745 -10.490 -19.261 1.00 22.14 H new ATOM 0 HD21 LEU A 51 -1.326 -9.694 -21.399 1.00 45.44 H new ATOM 0 HD22 LEU A 51 -1.261 -8.975 -19.773 1.00 45.44 H new ATOM 0 HD23 LEU A 51 -1.193 -7.929 -21.211 1.00 45.44 H new ATOM 824 N GLU A 52 2.730 -4.948 -19.492 1.00 11.40 N ATOM 825 CA GLU A 52 3.141 -3.946 -18.515 1.00 22.51 C ATOM 826 C GLU A 52 2.999 -2.538 -19.088 1.00 74.31 C ATOM 827 O GLU A 52 3.653 -1.600 -18.631 1.00 53.35 O ATOM 828 CB GLU A 52 4.589 -4.189 -18.082 1.00 22.04 C ATOM 829 CG GLU A 52 5.599 -4.002 -19.201 1.00 5.14 C ATOM 830 CD GLU A 52 7.017 -3.842 -18.687 1.00 3.24 C ATOM 831 OE1 GLU A 52 7.644 -4.867 -18.349 1.00 42.14 O ATOM 832 OE2 GLU A 52 7.498 -2.691 -18.625 1.00 50.14 O ATOM 0 H GLU A 52 3.459 -5.219 -20.152 1.00 11.40 H new ATOM 0 HA GLU A 52 2.490 -4.033 -17.645 1.00 22.51 H new ATOM 0 HB2 GLU A 52 4.834 -3.509 -17.266 1.00 22.04 H new ATOM 0 HB3 GLU A 52 4.677 -5.202 -17.690 1.00 22.04 H new ATOM 0 HG2 GLU A 52 5.555 -4.860 -19.872 1.00 5.14 H new ATOM 0 HG3 GLU A 52 5.328 -3.124 -19.787 1.00 5.14 H new ATOM 839 N THR A 53 2.141 -2.398 -20.094 1.00 40.54 N ATOM 840 CA THR A 53 1.914 -1.107 -20.730 1.00 31.33 C ATOM 841 C THR A 53 0.474 -0.978 -21.213 1.00 31.23 C ATOM 842 O THR A 53 0.022 -1.748 -22.061 1.00 12.34 O ATOM 843 CB THR A 53 2.865 -0.894 -21.923 1.00 13.30 C ATOM 844 OG1 THR A 53 2.454 0.250 -22.679 1.00 13.13 O ATOM 845 CG2 THR A 53 2.888 -2.120 -22.822 1.00 43.00 C ATOM 0 H THR A 53 1.592 -3.163 -20.485 1.00 40.54 H new ATOM 0 HA THR A 53 2.111 -0.344 -19.977 1.00 31.33 H new ATOM 0 HB THR A 53 3.870 -0.730 -21.533 1.00 13.30 H new ATOM 0 HG1 THR A 53 3.065 0.379 -23.435 1.00 13.13 H new ATOM 0 HG21 THR A 53 3.566 -1.946 -23.657 1.00 43.00 H new ATOM 0 HG22 THR A 53 3.229 -2.983 -22.251 1.00 43.00 H new ATOM 0 HG23 THR A 53 1.885 -2.311 -23.203 1.00 43.00 H new ATOM 853 N SER A 54 -0.242 0.001 -20.670 1.00 40.13 N ATOM 854 CA SER A 54 -1.633 0.229 -21.043 1.00 24.43 C ATOM 855 C SER A 54 -1.754 0.515 -22.538 1.00 53.42 C ATOM 856 O SER A 54 -2.821 0.346 -23.127 1.00 21.21 O ATOM 857 CB SER A 54 -2.215 1.394 -20.240 1.00 22.34 C ATOM 858 OG SER A 54 -2.311 2.563 -21.035 1.00 33.13 O ATOM 0 H SER A 54 0.118 0.649 -19.970 1.00 40.13 H new ATOM 0 HA SER A 54 -2.197 -0.676 -20.816 1.00 24.43 H new ATOM 0 HB2 SER A 54 -3.202 1.124 -19.864 1.00 22.34 H new ATOM 0 HB3 SER A 54 -1.586 1.591 -19.372 1.00 22.34 H new ATOM 0 HG SER A 54 -2.687 3.293 -20.500 1.00 33.13 H new ATOM 864 N GLU A 55 -0.652 0.949 -23.141 1.00 24.13 N ATOM 865 CA GLU A 55 -0.635 1.259 -24.566 1.00 5.43 C ATOM 866 C GLU A 55 -0.270 0.026 -25.387 1.00 71.02 C ATOM 867 O GLU A 55 -0.995 -0.363 -26.301 1.00 1.30 O ATOM 868 CB GLU A 55 0.356 2.388 -24.853 1.00 75.34 C ATOM 869 CG GLU A 55 -0.139 3.385 -25.888 1.00 53.43 C ATOM 870 CD GLU A 55 -1.361 4.152 -25.420 1.00 23.53 C ATOM 871 OE1 GLU A 55 -1.781 3.949 -24.262 1.00 25.41 O ATOM 872 OE2 GLU A 55 -1.896 4.955 -26.214 1.00 53.12 O ATOM 0 H GLU A 55 0.239 1.094 -22.666 1.00 24.13 H new ATOM 0 HA GLU A 55 -1.636 1.582 -24.853 1.00 5.43 H new ATOM 0 HB2 GLU A 55 0.570 2.917 -23.924 1.00 75.34 H new ATOM 0 HB3 GLU A 55 1.296 1.956 -25.197 1.00 75.34 H new ATOM 0 HG2 GLU A 55 0.660 4.089 -26.121 1.00 53.43 H new ATOM 0 HG3 GLU A 55 -0.377 2.857 -26.811 1.00 53.43 H new ATOM 879 N GLY A 56 0.863 -0.586 -25.054 1.00 32.22 N ATOM 880 CA GLY A 56 1.307 -1.767 -25.770 1.00 71.14 C ATOM 881 C GLY A 56 0.298 -2.896 -25.707 1.00 5.10 C ATOM 882 O GLY A 56 0.330 -3.814 -26.527 1.00 35.32 O ATOM 0 H GLY A 56 1.481 -0.284 -24.301 1.00 32.22 H new ATOM 0 HA2 GLY A 56 1.493 -1.508 -26.812 1.00 71.14 H new ATOM 0 HA3 GLY A 56 2.255 -2.107 -25.352 1.00 71.14 H new ATOM 886 N CYS A 57 -0.600 -2.831 -24.729 1.00 20.50 N ATOM 887 CA CYS A 57 -1.622 -3.858 -24.561 1.00 10.03 C ATOM 888 C CYS A 57 -2.667 -3.772 -25.669 1.00 23.55 C ATOM 889 O CYS A 57 -3.102 -4.791 -26.206 1.00 72.41 O ATOM 890 CB CYS A 57 -2.297 -3.716 -23.197 1.00 54.41 C ATOM 891 SG CYS A 57 -2.065 -5.140 -22.106 1.00 35.31 S ATOM 0 H CYS A 57 -0.641 -2.079 -24.041 1.00 20.50 H new ATOM 0 HA CYS A 57 -1.136 -4.832 -24.619 1.00 10.03 H new ATOM 0 HB2 CYS A 57 -1.908 -2.826 -22.702 1.00 54.41 H new ATOM 0 HB3 CYS A 57 -3.365 -3.557 -23.347 1.00 54.41 H new ATOM 0 HG CYS A 57 -2.671 -4.924 -20.976 1.00 35.31 H new ATOM 897 N ARG A 58 -3.065 -2.551 -26.006 1.00 1.34 N ATOM 898 CA ARG A 58 -4.062 -2.332 -27.049 1.00 70.10 C ATOM 899 C ARG A 58 -3.674 -3.061 -28.332 1.00 42.32 C ATOM 900 O ARG A 58 -4.537 -3.477 -29.105 1.00 33.12 O ATOM 901 CB ARG A 58 -4.219 -0.836 -27.328 1.00 45.23 C ATOM 902 CG ARG A 58 -5.597 -0.455 -27.845 1.00 60.40 C ATOM 903 CD ARG A 58 -6.640 -0.503 -26.740 1.00 61.45 C ATOM 904 NE ARG A 58 -7.959 -0.093 -27.214 1.00 23.12 N ATOM 905 CZ ARG A 58 -9.082 -0.303 -26.536 1.00 44.11 C ATOM 906 NH1 ARG A 58 -9.046 -0.916 -25.361 1.00 73.43 N ATOM 907 NH2 ARG A 58 -10.244 0.100 -27.034 1.00 43.21 N ATOM 0 H ARG A 58 -2.713 -1.697 -25.573 1.00 1.34 H new ATOM 0 HA ARG A 58 -5.013 -2.731 -26.697 1.00 70.10 H new ATOM 0 HB2 ARG A 58 -4.018 -0.281 -26.412 1.00 45.23 H new ATOM 0 HB3 ARG A 58 -3.469 -0.530 -28.057 1.00 45.23 H new ATOM 0 HG2 ARG A 58 -5.562 0.548 -28.271 1.00 60.40 H new ATOM 0 HG3 ARG A 58 -5.885 -1.133 -28.649 1.00 60.40 H new ATOM 0 HD2 ARG A 58 -6.697 -1.515 -26.339 1.00 61.45 H new ATOM 0 HD3 ARG A 58 -6.331 0.147 -25.921 1.00 61.45 H new ATOM 0 HE ARG A 58 -8.022 0.381 -28.115 1.00 23.12 H new ATOM 0 HH11 ARG A 58 -8.155 -1.228 -24.975 1.00 73.43 H new ATOM 0 HH12 ARG A 58 -9.910 -1.076 -24.843 1.00 73.43 H new ATOM 0 HH21 ARG A 58 -10.275 0.571 -27.938 1.00 43.21 H new ATOM 0 HH22 ARG A 58 -11.106 -0.062 -26.513 1.00 43.21 H new ATOM 921 N GLN A 59 -2.372 -3.213 -28.551 1.00 1.04 N ATOM 922 CA GLN A 59 -1.871 -3.890 -29.741 1.00 52.32 C ATOM 923 C GLN A 59 -2.170 -5.385 -29.682 1.00 2.54 C ATOM 924 O GLN A 59 -2.469 -6.008 -30.701 1.00 11.33 O ATOM 925 CB GLN A 59 -0.366 -3.665 -29.886 1.00 70.31 C ATOM 926 CG GLN A 59 0.086 -3.485 -31.326 1.00 75.11 C ATOM 927 CD GLN A 59 1.453 -2.838 -31.433 1.00 13.34 C ATOM 928 OE1 GLN A 59 2.147 -2.657 -30.431 1.00 34.20 O ATOM 929 NE2 GLN A 59 1.848 -2.484 -32.650 1.00 51.50 N ATOM 0 H GLN A 59 -1.645 -2.876 -27.920 1.00 1.04 H new ATOM 0 HA GLN A 59 -2.379 -3.469 -30.609 1.00 52.32 H new ATOM 0 HB2 GLN A 59 -0.082 -2.783 -29.312 1.00 70.31 H new ATOM 0 HB3 GLN A 59 0.163 -4.513 -29.451 1.00 70.31 H new ATOM 0 HG2 GLN A 59 0.109 -4.457 -31.820 1.00 75.11 H new ATOM 0 HG3 GLN A 59 -0.643 -2.874 -31.858 1.00 75.11 H new ATOM 0 HE21 GLN A 59 1.241 -2.653 -33.452 1.00 51.50 H new ATOM 0 HE22 GLN A 59 2.758 -2.043 -32.783 1.00 51.50 H new ATOM 938 N ILE A 60 -2.089 -5.953 -28.484 1.00 60.25 N ATOM 939 CA ILE A 60 -2.351 -7.374 -28.293 1.00 25.33 C ATOM 940 C ILE A 60 -3.799 -7.716 -28.629 1.00 14.45 C ATOM 941 O ILE A 60 -4.068 -8.538 -29.506 1.00 74.50 O ATOM 942 CB ILE A 60 -2.054 -7.812 -26.847 1.00 4.21 C ATOM 943 CG1 ILE A 60 -0.616 -7.454 -26.467 1.00 63.10 C ATOM 944 CG2 ILE A 60 -2.294 -9.306 -26.687 1.00 50.43 C ATOM 945 CD1 ILE A 60 -0.329 -7.590 -24.988 1.00 44.11 C ATOM 0 H ILE A 60 -1.844 -5.451 -27.631 1.00 60.25 H new ATOM 0 HA ILE A 60 -1.687 -7.911 -28.970 1.00 25.33 H new ATOM 0 HB ILE A 60 -2.729 -7.281 -26.176 1.00 4.21 H new ATOM 0 HG12 ILE A 60 0.068 -8.096 -27.022 1.00 63.10 H new ATOM 0 HG13 ILE A 60 -0.412 -6.429 -26.775 1.00 63.10 H new ATOM 0 HG21 ILE A 60 -2.080 -9.601 -25.660 1.00 50.43 H new ATOM 0 HG22 ILE A 60 -3.334 -9.535 -26.921 1.00 50.43 H new ATOM 0 HG23 ILE A 60 -1.640 -9.854 -27.366 1.00 50.43 H new ATOM 0 HD11 ILE A 60 0.709 -7.320 -24.792 1.00 44.11 H new ATOM 0 HD12 ILE A 60 -0.988 -6.928 -24.427 1.00 44.11 H new ATOM 0 HD13 ILE A 60 -0.500 -8.621 -24.677 1.00 44.11 H new ATOM 957 N LEU A 61 -4.729 -7.077 -27.927 1.00 63.45 N ATOM 958 CA LEU A 61 -6.151 -7.312 -28.152 1.00 13.25 C ATOM 959 C LEU A 61 -6.512 -7.109 -29.620 1.00 71.42 C ATOM 960 O LEU A 61 -7.457 -7.713 -30.126 1.00 73.42 O ATOM 961 CB LEU A 61 -6.986 -6.375 -27.277 1.00 3.51 C ATOM 962 CG LEU A 61 -6.750 -6.476 -25.769 1.00 34.52 C ATOM 963 CD1 LEU A 61 -7.139 -5.177 -25.080 1.00 34.32 C ATOM 964 CD2 LEU A 61 -7.528 -7.645 -25.184 1.00 60.52 C ATOM 0 H LEU A 61 -4.524 -6.393 -27.198 1.00 63.45 H new ATOM 0 HA LEU A 61 -6.370 -8.345 -27.883 1.00 13.25 H new ATOM 0 HB2 LEU A 61 -6.789 -5.349 -27.587 1.00 3.51 H new ATOM 0 HB3 LEU A 61 -8.040 -6.570 -27.473 1.00 3.51 H new ATOM 0 HG LEU A 61 -5.688 -6.651 -25.598 1.00 34.52 H new ATOM 0 HD11 LEU A 61 -6.964 -5.267 -24.008 1.00 34.32 H new ATOM 0 HD12 LEU A 61 -6.538 -4.360 -25.478 1.00 34.32 H new ATOM 0 HD13 LEU A 61 -8.194 -4.972 -25.260 1.00 34.32 H new ATOM 0 HD21 LEU A 61 -7.348 -7.701 -24.110 1.00 60.52 H new ATOM 0 HD22 LEU A 61 -8.593 -7.501 -25.366 1.00 60.52 H new ATOM 0 HD23 LEU A 61 -7.201 -8.572 -25.656 1.00 60.52 H new ATOM 976 N GLY A 62 -5.749 -6.258 -30.300 1.00 3.41 N ATOM 977 CA GLY A 62 -6.002 -5.993 -31.704 1.00 62.13 C ATOM 978 C GLY A 62 -5.792 -7.219 -32.571 1.00 2.42 C ATOM 979 O GLY A 62 -6.293 -7.285 -33.694 1.00 32.41 O ATOM 0 H GLY A 62 -4.960 -5.748 -29.903 1.00 3.41 H new ATOM 0 HA2 GLY A 62 -7.025 -5.637 -31.825 1.00 62.13 H new ATOM 0 HA3 GLY A 62 -5.344 -5.194 -32.044 1.00 62.13 H new ATOM 983 N GLN A 63 -5.050 -8.191 -32.051 1.00 35.04 N ATOM 984 CA GLN A 63 -4.773 -9.418 -32.788 1.00 0.21 C ATOM 985 C GLN A 63 -5.669 -10.555 -32.307 1.00 1.40 C ATOM 986 O GLN A 63 -6.122 -11.381 -33.101 1.00 22.22 O ATOM 987 CB GLN A 63 -3.303 -9.811 -32.633 1.00 54.33 C ATOM 988 CG GLN A 63 -2.426 -9.354 -33.786 1.00 71.21 C ATOM 989 CD GLN A 63 -1.095 -10.079 -33.831 1.00 25.22 C ATOM 990 OE1 GLN A 63 -0.852 -10.901 -34.715 1.00 1.44 O ATOM 991 NE2 GLN A 63 -0.224 -9.777 -32.875 1.00 42.11 N ATOM 0 H GLN A 63 -4.630 -8.153 -31.122 1.00 35.04 H new ATOM 0 HA GLN A 63 -4.983 -9.234 -33.842 1.00 0.21 H new ATOM 0 HB2 GLN A 63 -2.918 -9.388 -31.705 1.00 54.33 H new ATOM 0 HB3 GLN A 63 -3.233 -10.895 -32.542 1.00 54.33 H new ATOM 0 HG2 GLN A 63 -2.955 -9.515 -34.725 1.00 71.21 H new ATOM 0 HG3 GLN A 63 -2.249 -8.282 -33.700 1.00 71.21 H new ATOM 0 HE21 GLN A 63 -0.467 -9.089 -32.162 1.00 42.11 H new ATOM 0 HE22 GLN A 63 0.688 -10.233 -32.854 1.00 42.11 H new ATOM 1000 N LEU A 64 -5.923 -10.591 -31.003 1.00 72.43 N ATOM 1001 CA LEU A 64 -6.765 -11.627 -30.416 1.00 21.31 C ATOM 1002 C LEU A 64 -8.237 -11.367 -30.716 1.00 0.14 C ATOM 1003 O LEU A 64 -9.046 -12.293 -30.751 1.00 62.31 O ATOM 1004 CB LEU A 64 -6.544 -11.695 -28.904 1.00 41.32 C ATOM 1005 CG LEU A 64 -5.123 -12.027 -28.446 1.00 34.54 C ATOM 1006 CD1 LEU A 64 -5.022 -11.963 -26.930 1.00 20.31 C ATOM 1007 CD2 LEU A 64 -4.705 -13.398 -28.954 1.00 45.00 C ATOM 0 H LEU A 64 -5.558 -9.915 -30.333 1.00 72.43 H new ATOM 0 HA LEU A 64 -6.487 -12.582 -30.861 1.00 21.31 H new ATOM 0 HB2 LEU A 64 -6.828 -10.735 -28.472 1.00 41.32 H new ATOM 0 HB3 LEU A 64 -7.221 -12.443 -28.492 1.00 41.32 H new ATOM 0 HG LEU A 64 -4.444 -11.285 -28.866 1.00 34.54 H new ATOM 0 HD11 LEU A 64 -4.004 -12.202 -26.623 1.00 20.31 H new ATOM 0 HD12 LEU A 64 -5.277 -10.959 -26.590 1.00 20.31 H new ATOM 0 HD13 LEU A 64 -5.712 -12.682 -26.489 1.00 20.31 H new ATOM 0 HD21 LEU A 64 -3.691 -13.617 -28.618 1.00 45.00 H new ATOM 0 HD22 LEU A 64 -5.387 -14.154 -28.565 1.00 45.00 H new ATOM 0 HD23 LEU A 64 -4.736 -13.407 -30.044 1.00 45.00 H new ATOM 1019 N GLN A 65 -8.575 -10.100 -30.934 1.00 4.54 N ATOM 1020 CA GLN A 65 -9.951 -9.719 -31.232 1.00 3.35 C ATOM 1021 C GLN A 65 -10.499 -10.528 -32.403 1.00 62.53 C ATOM 1022 O GLN A 65 -11.470 -11.273 -32.273 1.00 64.24 O ATOM 1023 CB GLN A 65 -10.031 -8.224 -31.548 1.00 31.11 C ATOM 1024 CG GLN A 65 -10.494 -7.377 -30.374 1.00 11.20 C ATOM 1025 CD GLN A 65 -10.154 -5.910 -30.542 1.00 72.32 C ATOM 1026 OE1 GLN A 65 -9.388 -5.537 -31.431 1.00 33.35 O ATOM 1027 NE2 GLN A 65 -10.722 -5.068 -29.687 1.00 2.11 N ATOM 0 H GLN A 65 -7.917 -9.321 -30.910 1.00 4.54 H new ATOM 0 HA GLN A 65 -10.559 -9.931 -30.352 1.00 3.35 H new ATOM 0 HB2 GLN A 65 -9.050 -7.877 -31.871 1.00 31.11 H new ATOM 0 HB3 GLN A 65 -10.713 -8.074 -32.385 1.00 31.11 H new ATOM 0 HG2 GLN A 65 -11.572 -7.485 -30.256 1.00 11.20 H new ATOM 0 HG3 GLN A 65 -10.035 -7.750 -29.459 1.00 11.20 H new ATOM 0 HE21 GLN A 65 -11.351 -5.421 -28.965 1.00 2.11 H new ATOM 0 HE22 GLN A 65 -10.530 -4.068 -29.752 1.00 2.11 H new ATOM 1036 N PRO A 66 -9.864 -10.380 -33.575 1.00 34.11 N ATOM 1037 CA PRO A 66 -10.270 -11.088 -34.791 1.00 65.14 C ATOM 1038 C PRO A 66 -9.983 -12.584 -34.713 1.00 65.34 C ATOM 1039 O PRO A 66 -10.523 -13.371 -35.491 1.00 41.55 O ATOM 1040 CB PRO A 66 -9.418 -10.438 -35.883 1.00 0.44 C ATOM 1041 CG PRO A 66 -8.220 -9.915 -35.168 1.00 31.34 C ATOM 1042 CD PRO A 66 -8.698 -9.508 -33.802 1.00 1.41 C ATOM 0 HA PRO A 66 -11.343 -11.012 -34.967 1.00 65.14 H new ATOM 0 HB2 PRO A 66 -9.138 -11.161 -36.649 1.00 0.44 H new ATOM 0 HB3 PRO A 66 -9.961 -9.637 -36.384 1.00 0.44 H new ATOM 0 HG2 PRO A 66 -7.443 -10.677 -35.099 1.00 31.34 H new ATOM 0 HG3 PRO A 66 -7.788 -9.067 -35.699 1.00 31.34 H new ATOM 0 HD2 PRO A 66 -7.929 -9.660 -33.045 1.00 1.41 H new ATOM 0 HD3 PRO A 66 -8.972 -8.454 -33.770 1.00 1.41 H new ATOM 1050 N SER A 67 -9.129 -12.970 -33.771 1.00 43.24 N ATOM 1051 CA SER A 67 -8.767 -14.372 -33.593 1.00 34.11 C ATOM 1052 C SER A 67 -9.570 -15.001 -32.458 1.00 24.22 C ATOM 1053 O SER A 67 -9.106 -15.928 -31.794 1.00 3.33 O ATOM 1054 CB SER A 67 -7.270 -14.502 -33.307 1.00 23.13 C ATOM 1055 OG SER A 67 -6.500 -14.042 -34.404 1.00 75.44 O ATOM 0 H SER A 67 -8.674 -12.331 -33.119 1.00 43.24 H new ATOM 0 HA SER A 67 -9.000 -14.902 -34.517 1.00 34.11 H new ATOM 0 HB2 SER A 67 -7.016 -13.930 -32.415 1.00 23.13 H new ATOM 0 HB3 SER A 67 -7.025 -15.543 -33.098 1.00 23.13 H new ATOM 0 HG SER A 67 -6.204 -13.124 -34.233 1.00 75.44 H new ATOM 1061 N LEU A 68 -10.778 -14.490 -32.243 1.00 74.40 N ATOM 1062 CA LEU A 68 -11.646 -15.001 -31.189 1.00 12.25 C ATOM 1063 C LEU A 68 -12.462 -16.190 -31.684 1.00 64.24 C ATOM 1064 O LEU A 68 -12.682 -17.153 -30.949 1.00 3.33 O ATOM 1065 CB LEU A 68 -12.583 -13.896 -30.693 1.00 64.45 C ATOM 1066 CG LEU A 68 -12.082 -13.074 -29.505 1.00 65.33 C ATOM 1067 CD1 LEU A 68 -13.049 -11.942 -29.194 1.00 20.52 C ATOM 1068 CD2 LEU A 68 -11.890 -13.964 -28.285 1.00 12.32 C ATOM 0 H LEU A 68 -11.177 -13.723 -32.784 1.00 74.40 H new ATOM 0 HA LEU A 68 -11.017 -15.334 -30.364 1.00 12.25 H new ATOM 0 HB2 LEU A 68 -12.781 -13.216 -31.522 1.00 64.45 H new ATOM 0 HB3 LEU A 68 -13.535 -14.350 -30.419 1.00 64.45 H new ATOM 0 HG LEU A 68 -11.118 -12.639 -29.769 1.00 65.33 H new ATOM 0 HD11 LEU A 68 -12.676 -11.368 -28.346 1.00 20.52 H new ATOM 0 HD12 LEU A 68 -13.137 -11.290 -30.063 1.00 20.52 H new ATOM 0 HD13 LEU A 68 -14.027 -12.356 -28.950 1.00 20.52 H new ATOM 0 HD21 LEU A 68 -11.533 -13.363 -27.449 1.00 12.32 H new ATOM 0 HD22 LEU A 68 -12.840 -14.427 -28.019 1.00 12.32 H new ATOM 0 HD23 LEU A 68 -11.159 -14.740 -28.512 1.00 12.32 H new ATOM 1080 N GLN A 69 -12.906 -16.117 -32.935 1.00 43.04 N ATOM 1081 CA GLN A 69 -13.695 -17.190 -33.528 1.00 23.24 C ATOM 1082 C GLN A 69 -12.818 -18.394 -33.859 1.00 12.25 C ATOM 1083 O GLN A 69 -13.098 -19.515 -33.435 1.00 11.43 O ATOM 1084 CB GLN A 69 -14.399 -16.694 -34.793 1.00 60.43 C ATOM 1085 CG GLN A 69 -15.677 -17.452 -35.116 1.00 54.25 C ATOM 1086 CD GLN A 69 -16.894 -16.549 -35.165 1.00 20.30 C ATOM 1087 OE1 GLN A 69 -17.233 -15.889 -34.183 1.00 61.31 O ATOM 1088 NE2 GLN A 69 -17.559 -16.515 -36.315 1.00 51.54 N ATOM 0 H GLN A 69 -12.733 -15.327 -33.557 1.00 43.04 H new ATOM 0 HA GLN A 69 -14.445 -17.500 -32.800 1.00 23.24 H new ATOM 0 HB2 GLN A 69 -14.634 -15.636 -34.677 1.00 60.43 H new ATOM 0 HB3 GLN A 69 -13.714 -16.778 -35.637 1.00 60.43 H new ATOM 0 HG2 GLN A 69 -15.564 -17.955 -36.076 1.00 54.25 H new ATOM 0 HG3 GLN A 69 -15.834 -18.227 -34.366 1.00 54.25 H new ATOM 0 HE21 GLN A 69 -17.243 -17.079 -37.104 1.00 51.54 H new ATOM 0 HE22 GLN A 69 -18.386 -15.925 -36.409 1.00 51.54 H new ATOM 1097 N THR A 70 -11.755 -18.152 -34.620 1.00 62.44 N ATOM 1098 CA THR A 70 -10.837 -19.216 -35.009 1.00 21.13 C ATOM 1099 C THR A 70 -9.959 -19.640 -33.838 1.00 73.44 C ATOM 1100 O THR A 70 -9.470 -20.768 -33.792 1.00 25.31 O ATOM 1101 CB THR A 70 -9.936 -18.781 -36.180 1.00 43.42 C ATOM 1102 OG1 THR A 70 -10.358 -17.505 -36.675 1.00 12.34 O ATOM 1103 CG2 THR A 70 -9.977 -19.805 -37.304 1.00 3.25 C ATOM 0 H THR A 70 -11.509 -17.230 -34.979 1.00 62.44 H new ATOM 0 HA THR A 70 -11.449 -20.061 -35.326 1.00 21.13 H new ATOM 0 HB THR A 70 -8.912 -18.708 -35.814 1.00 43.42 H new ATOM 0 HG1 THR A 70 -9.779 -17.235 -37.418 1.00 12.34 H new ATOM 0 HG21 THR A 70 -9.333 -19.476 -38.120 1.00 3.25 H new ATOM 0 HG22 THR A 70 -9.628 -20.768 -36.932 1.00 3.25 H new ATOM 0 HG23 THR A 70 -11.000 -19.906 -37.667 1.00 3.25 H new ATOM 1111 N GLY A 71 -9.763 -18.728 -32.890 1.00 32.21 N ATOM 1112 CA GLY A 71 -8.943 -19.028 -31.730 1.00 61.31 C ATOM 1113 C GLY A 71 -9.546 -20.111 -30.858 1.00 40.21 C ATOM 1114 O GLY A 71 -10.762 -20.297 -30.840 1.00 3.23 O ATOM 0 H GLY A 71 -10.157 -17.787 -32.905 1.00 32.21 H new ATOM 0 HA2 GLY A 71 -7.953 -19.341 -32.060 1.00 61.31 H new ATOM 0 HA3 GLY A 71 -8.810 -18.122 -31.139 1.00 61.31 H new ATOM 1118 N SER A 72 -8.694 -20.828 -30.133 1.00 20.23 N ATOM 1119 CA SER A 72 -9.150 -21.902 -29.259 1.00 34.10 C ATOM 1120 C SER A 72 -9.213 -21.432 -27.809 1.00 53.41 C ATOM 1121 O SER A 72 -9.059 -20.245 -27.523 1.00 32.53 O ATOM 1122 CB SER A 72 -8.219 -23.112 -29.374 1.00 22.35 C ATOM 1123 OG SER A 72 -7.038 -22.921 -28.616 1.00 30.41 O ATOM 0 H SER A 72 -7.684 -20.685 -30.134 1.00 20.23 H new ATOM 0 HA SER A 72 -10.153 -22.192 -29.573 1.00 34.10 H new ATOM 0 HB2 SER A 72 -8.736 -24.007 -29.028 1.00 22.35 H new ATOM 0 HB3 SER A 72 -7.961 -23.278 -30.420 1.00 22.35 H new ATOM 0 HG SER A 72 -6.461 -23.708 -28.705 1.00 30.41 H new ATOM 1129 N GLU A 73 -9.440 -22.372 -26.897 1.00 24.34 N ATOM 1130 CA GLU A 73 -9.525 -22.055 -25.476 1.00 21.24 C ATOM 1131 C GLU A 73 -8.271 -21.322 -25.007 1.00 22.13 C ATOM 1132 O GLU A 73 -8.313 -20.551 -24.050 1.00 11.32 O ATOM 1133 CB GLU A 73 -9.721 -23.331 -24.656 1.00 33.12 C ATOM 1134 CG GLU A 73 -11.166 -23.794 -24.586 1.00 22.53 C ATOM 1135 CD GLU A 73 -11.299 -25.304 -24.643 1.00 51.13 C ATOM 1136 OE1 GLU A 73 -11.147 -25.953 -23.586 1.00 21.14 O ATOM 1137 OE2 GLU A 73 -11.554 -25.836 -25.743 1.00 12.34 O ATOM 0 H GLU A 73 -9.568 -23.360 -27.117 1.00 24.34 H new ATOM 0 HA GLU A 73 -10.384 -21.402 -25.326 1.00 21.24 H new ATOM 0 HB2 GLU A 73 -9.114 -24.127 -25.088 1.00 33.12 H new ATOM 0 HB3 GLU A 73 -9.353 -23.162 -23.644 1.00 33.12 H new ATOM 0 HG2 GLU A 73 -11.616 -23.428 -23.663 1.00 22.53 H new ATOM 0 HG3 GLU A 73 -11.725 -23.352 -25.411 1.00 22.53 H new ATOM 1144 N GLU A 74 -7.157 -21.572 -25.688 1.00 21.41 N ATOM 1145 CA GLU A 74 -5.891 -20.938 -25.340 1.00 21.54 C ATOM 1146 C GLU A 74 -5.947 -19.435 -25.596 1.00 3.12 C ATOM 1147 O GLU A 74 -5.234 -18.658 -24.959 1.00 45.14 O ATOM 1148 CB GLU A 74 -4.746 -21.561 -26.142 1.00 51.22 C ATOM 1149 CG GLU A 74 -3.499 -21.827 -25.316 1.00 13.14 C ATOM 1150 CD GLU A 74 -3.295 -23.300 -25.025 1.00 40.44 C ATOM 1151 OE1 GLU A 74 -4.299 -23.997 -24.765 1.00 20.44 O ATOM 1152 OE2 GLU A 74 -2.133 -23.756 -25.055 1.00 44.44 O ATOM 0 H GLU A 74 -7.106 -22.209 -26.483 1.00 21.41 H new ATOM 0 HA GLU A 74 -5.712 -21.102 -24.277 1.00 21.54 H new ATOM 0 HB2 GLU A 74 -5.088 -22.499 -26.580 1.00 51.22 H new ATOM 0 HB3 GLU A 74 -4.490 -20.898 -26.968 1.00 51.22 H new ATOM 0 HG2 GLU A 74 -2.628 -21.441 -25.846 1.00 13.14 H new ATOM 0 HG3 GLU A 74 -3.568 -21.281 -24.375 1.00 13.14 H new ATOM 1159 N LEU A 75 -6.799 -19.032 -26.532 1.00 12.22 N ATOM 1160 CA LEU A 75 -6.949 -17.621 -26.873 1.00 22.40 C ATOM 1161 C LEU A 75 -7.925 -16.931 -25.925 1.00 44.14 C ATOM 1162 O LEU A 75 -7.701 -15.797 -25.505 1.00 52.30 O ATOM 1163 CB LEU A 75 -7.433 -17.474 -28.317 1.00 74.41 C ATOM 1164 CG LEU A 75 -7.156 -16.126 -28.984 1.00 3.52 C ATOM 1165 CD1 LEU A 75 -6.583 -16.328 -30.378 1.00 11.34 C ATOM 1166 CD2 LEU A 75 -8.427 -15.290 -29.043 1.00 15.41 C ATOM 0 H LEU A 75 -7.396 -19.661 -27.068 1.00 12.22 H new ATOM 0 HA LEU A 75 -5.975 -17.143 -26.772 1.00 22.40 H new ATOM 0 HB2 LEU A 75 -6.967 -18.256 -28.917 1.00 74.41 H new ATOM 0 HB3 LEU A 75 -8.508 -17.653 -28.339 1.00 74.41 H new ATOM 0 HG LEU A 75 -6.419 -15.590 -28.386 1.00 3.52 H new ATOM 0 HD11 LEU A 75 -6.392 -15.358 -30.837 1.00 11.34 H new ATOM 0 HD12 LEU A 75 -5.650 -16.887 -30.310 1.00 11.34 H new ATOM 0 HD13 LEU A 75 -7.296 -16.884 -30.987 1.00 11.34 H new ATOM 0 HD21 LEU A 75 -8.212 -14.334 -29.521 1.00 15.41 H new ATOM 0 HD22 LEU A 75 -9.185 -15.821 -29.619 1.00 15.41 H new ATOM 0 HD23 LEU A 75 -8.795 -15.116 -28.032 1.00 15.41 H new ATOM 1178 N ARG A 76 -9.008 -17.627 -25.590 1.00 33.44 N ATOM 1179 CA ARG A 76 -10.017 -17.082 -24.691 1.00 63.13 C ATOM 1180 C ARG A 76 -9.382 -16.593 -23.393 1.00 54.30 C ATOM 1181 O ARG A 76 -9.717 -15.519 -22.892 1.00 23.32 O ATOM 1182 CB ARG A 76 -11.080 -18.139 -24.384 1.00 53.31 C ATOM 1183 CG ARG A 76 -12.491 -17.710 -24.755 1.00 72.24 C ATOM 1184 CD ARG A 76 -13.467 -18.873 -24.671 1.00 31.41 C ATOM 1185 NE ARG A 76 -13.677 -19.312 -23.294 1.00 62.42 N ATOM 1186 CZ ARG A 76 -14.237 -20.473 -22.971 1.00 4.31 C ATOM 1187 NH1 ARG A 76 -14.642 -21.305 -23.921 1.00 74.13 N ATOM 1188 NH2 ARG A 76 -14.394 -20.803 -21.695 1.00 61.01 N ATOM 0 H ARG A 76 -9.208 -18.568 -25.928 1.00 33.44 H new ATOM 0 HA ARG A 76 -10.489 -16.234 -25.186 1.00 63.13 H new ATOM 0 HB2 ARG A 76 -10.835 -19.055 -24.921 1.00 53.31 H new ATOM 0 HB3 ARG A 76 -11.049 -18.375 -23.320 1.00 53.31 H new ATOM 0 HG2 ARG A 76 -12.817 -16.911 -24.089 1.00 72.24 H new ATOM 0 HG3 ARG A 76 -12.495 -17.303 -25.766 1.00 72.24 H new ATOM 0 HD2 ARG A 76 -14.421 -18.578 -25.107 1.00 31.41 H new ATOM 0 HD3 ARG A 76 -13.090 -19.706 -25.264 1.00 31.41 H new ATOM 0 HE ARG A 76 -13.378 -18.694 -22.540 1.00 62.42 H new ATOM 0 HH11 ARG A 76 -14.524 -21.054 -24.903 1.00 74.13 H new ATOM 0 HH12 ARG A 76 -15.071 -22.195 -23.670 1.00 74.13 H new ATOM 0 HH21 ARG A 76 -14.085 -20.165 -20.962 1.00 61.01 H new ATOM 0 HH22 ARG A 76 -14.824 -21.694 -21.448 1.00 61.01 H new ATOM 1202 N SER A 77 -8.463 -17.387 -22.853 1.00 63.21 N ATOM 1203 CA SER A 77 -7.784 -17.036 -21.611 1.00 60.14 C ATOM 1204 C SER A 77 -7.026 -15.721 -21.760 1.00 40.04 C ATOM 1205 O SER A 77 -7.142 -14.826 -20.921 1.00 3.35 O ATOM 1206 CB SER A 77 -6.820 -18.151 -21.201 1.00 71.21 C ATOM 1207 OG SER A 77 -7.518 -19.252 -20.647 1.00 50.50 O ATOM 0 H SER A 77 -8.171 -18.278 -23.256 1.00 63.21 H new ATOM 0 HA SER A 77 -8.538 -16.914 -20.834 1.00 60.14 H new ATOM 0 HB2 SER A 77 -6.248 -18.479 -22.069 1.00 71.21 H new ATOM 0 HB3 SER A 77 -6.104 -17.768 -20.474 1.00 71.21 H new ATOM 0 HG SER A 77 -6.879 -19.951 -20.395 1.00 50.50 H new ATOM 1213 N LEU A 78 -6.248 -15.611 -22.831 1.00 4.00 N ATOM 1214 CA LEU A 78 -5.470 -14.405 -23.090 1.00 20.34 C ATOM 1215 C LEU A 78 -6.376 -13.183 -23.189 1.00 11.54 C ATOM 1216 O LEU A 78 -6.223 -12.221 -22.434 1.00 35.31 O ATOM 1217 CB LEU A 78 -4.666 -14.562 -24.382 1.00 34.51 C ATOM 1218 CG LEU A 78 -3.167 -14.817 -24.213 1.00 15.35 C ATOM 1219 CD1 LEU A 78 -2.927 -15.986 -23.271 1.00 2.45 C ATOM 1220 CD2 LEU A 78 -2.514 -15.074 -25.564 1.00 54.23 C ATOM 0 H LEU A 78 -6.139 -16.342 -23.534 1.00 4.00 H new ATOM 0 HA LEU A 78 -4.784 -14.259 -22.256 1.00 20.34 H new ATOM 0 HB2 LEU A 78 -5.092 -15.386 -24.954 1.00 34.51 H new ATOM 0 HB3 LEU A 78 -4.796 -13.659 -24.979 1.00 34.51 H new ATOM 0 HG LEU A 78 -2.713 -13.927 -23.776 1.00 15.35 H new ATOM 0 HD11 LEU A 78 -1.855 -16.152 -23.163 1.00 2.45 H new ATOM 0 HD12 LEU A 78 -3.359 -15.762 -22.296 1.00 2.45 H new ATOM 0 HD13 LEU A 78 -3.394 -16.883 -23.678 1.00 2.45 H new ATOM 0 HD21 LEU A 78 -1.448 -15.253 -25.425 1.00 54.23 H new ATOM 0 HD22 LEU A 78 -2.971 -15.947 -26.029 1.00 54.23 H new ATOM 0 HD23 LEU A 78 -2.655 -14.205 -26.207 1.00 54.23 H new ATOM 1232 N TYR A 79 -7.322 -13.226 -24.120 1.00 25.14 N ATOM 1233 CA TYR A 79 -8.253 -12.122 -24.317 1.00 0.33 C ATOM 1234 C TYR A 79 -8.920 -11.730 -23.001 1.00 64.15 C ATOM 1235 O TYR A 79 -9.278 -10.572 -22.794 1.00 5.43 O ATOM 1236 CB TYR A 79 -9.318 -12.502 -25.347 1.00 1.11 C ATOM 1237 CG TYR A 79 -10.056 -11.314 -25.923 1.00 50.13 C ATOM 1238 CD1 TYR A 79 -9.376 -10.321 -26.618 1.00 4.44 C ATOM 1239 CD2 TYR A 79 -11.430 -11.184 -25.770 1.00 42.21 C ATOM 1240 CE1 TYR A 79 -10.046 -9.233 -27.144 1.00 22.02 C ATOM 1241 CE2 TYR A 79 -12.108 -10.101 -26.294 1.00 25.11 C ATOM 1242 CZ TYR A 79 -11.412 -9.127 -26.981 1.00 65.55 C ATOM 1243 OH TYR A 79 -12.084 -8.047 -27.504 1.00 73.44 O ATOM 0 H TYR A 79 -7.464 -14.015 -24.751 1.00 25.14 H new ATOM 0 HA TYR A 79 -7.688 -11.266 -24.687 1.00 0.33 H new ATOM 0 HB2 TYR A 79 -8.845 -13.054 -26.159 1.00 1.11 H new ATOM 0 HB3 TYR A 79 -10.038 -13.175 -24.881 1.00 1.11 H new ATOM 0 HD1 TYR A 79 -8.307 -10.401 -26.749 1.00 4.44 H new ATOM 0 HD2 TYR A 79 -11.978 -11.943 -25.232 1.00 42.21 H new ATOM 0 HE1 TYR A 79 -9.503 -8.469 -27.680 1.00 22.02 H new ATOM 0 HE2 TYR A 79 -13.177 -10.017 -26.167 1.00 25.11 H new ATOM 0 HH TYR A 79 -12.998 -8.313 -27.739 1.00 73.44 H new ATOM 1253 N ASN A 80 -9.082 -12.708 -22.114 1.00 34.20 N ATOM 1254 CA ASN A 80 -9.705 -12.467 -20.818 1.00 13.41 C ATOM 1255 C ASN A 80 -8.742 -11.749 -19.877 1.00 42.25 C ATOM 1256 O ASN A 80 -9.073 -10.710 -19.304 1.00 23.34 O ATOM 1257 CB ASN A 80 -10.157 -13.788 -20.193 1.00 74.42 C ATOM 1258 CG ASN A 80 -11.616 -14.091 -20.472 1.00 14.12 C ATOM 1259 OD1 ASN A 80 -12.121 -13.816 -21.562 1.00 51.22 O ATOM 1260 ND2 ASN A 80 -12.302 -14.658 -19.487 1.00 25.52 N ATOM 0 H ASN A 80 -8.791 -13.673 -22.270 1.00 34.20 H new ATOM 0 HA ASN A 80 -10.576 -11.830 -20.974 1.00 13.41 H new ATOM 0 HB2 ASN A 80 -9.540 -14.599 -20.579 1.00 74.42 H new ATOM 0 HB3 ASN A 80 -9.996 -13.751 -19.116 1.00 74.42 H new ATOM 0 HD21 ASN A 80 -13.288 -14.884 -19.616 1.00 25.52 H new ATOM 0 HD22 ASN A 80 -11.843 -14.868 -18.601 1.00 25.52 H new ATOM 1267 N THR A 81 -7.547 -12.311 -19.720 1.00 32.12 N ATOM 1268 CA THR A 81 -6.536 -11.725 -18.848 1.00 25.23 C ATOM 1269 C THR A 81 -6.116 -10.345 -19.341 1.00 3.33 C ATOM 1270 O THR A 81 -6.238 -9.354 -18.621 1.00 43.42 O ATOM 1271 CB THR A 81 -5.289 -12.625 -18.751 1.00 4.33 C ATOM 1272 OG1 THR A 81 -5.681 -13.981 -18.513 1.00 42.14 O ATOM 1273 CG2 THR A 81 -4.368 -12.153 -17.637 1.00 72.15 C ATOM 0 H THR A 81 -7.256 -13.171 -20.185 1.00 32.12 H new ATOM 0 HA THR A 81 -6.986 -11.632 -17.860 1.00 25.23 H new ATOM 0 HB THR A 81 -4.749 -12.565 -19.696 1.00 4.33 H new ATOM 0 HG1 THR A 81 -6.034 -14.369 -19.341 1.00 42.14 H new ATOM 0 HG21 THR A 81 -3.495 -12.803 -17.587 1.00 72.15 H new ATOM 0 HG22 THR A 81 -4.048 -11.130 -17.838 1.00 72.15 H new ATOM 0 HG23 THR A 81 -4.900 -12.187 -16.686 1.00 72.15 H new ATOM 1281 N ILE A 82 -5.624 -10.288 -20.574 1.00 72.43 N ATOM 1282 CA ILE A 82 -5.188 -9.028 -21.163 1.00 4.12 C ATOM 1283 C ILE A 82 -6.273 -7.963 -21.049 1.00 20.14 C ATOM 1284 O ILE A 82 -5.981 -6.772 -20.959 1.00 15.42 O ATOM 1285 CB ILE A 82 -4.808 -9.202 -22.646 1.00 12.41 C ATOM 1286 CG1 ILE A 82 -3.693 -10.239 -22.792 1.00 44.31 C ATOM 1287 CG2 ILE A 82 -4.381 -7.870 -23.243 1.00 32.44 C ATOM 1288 CD1 ILE A 82 -3.931 -11.229 -23.910 1.00 24.23 C ATOM 0 H ILE A 82 -5.517 -11.099 -21.184 1.00 72.43 H new ATOM 0 HA ILE A 82 -4.308 -8.707 -20.606 1.00 4.12 H new ATOM 0 HB ILE A 82 -5.683 -9.558 -23.190 1.00 12.41 H new ATOM 0 HG12 ILE A 82 -2.749 -9.723 -22.969 1.00 44.31 H new ATOM 0 HG13 ILE A 82 -3.588 -10.782 -21.853 1.00 44.31 H new ATOM 0 HG21 ILE A 82 -4.116 -8.009 -24.291 1.00 32.44 H new ATOM 0 HG22 ILE A 82 -5.203 -7.158 -23.168 1.00 32.44 H new ATOM 0 HG23 ILE A 82 -3.518 -7.487 -22.698 1.00 32.44 H new ATOM 0 HD11 ILE A 82 -3.101 -11.934 -23.955 1.00 24.23 H new ATOM 0 HD12 ILE A 82 -4.858 -11.772 -23.724 1.00 24.23 H new ATOM 0 HD13 ILE A 82 -4.006 -10.696 -24.858 1.00 24.23 H new ATOM 1300 N ALA A 83 -7.528 -8.402 -21.053 1.00 1.14 N ATOM 1301 CA ALA A 83 -8.658 -7.488 -20.947 1.00 12.23 C ATOM 1302 C ALA A 83 -8.714 -6.843 -19.566 1.00 2.22 C ATOM 1303 O ALA A 83 -8.798 -5.622 -19.442 1.00 32.12 O ATOM 1304 CB ALA A 83 -9.959 -8.218 -21.244 1.00 40.13 C ATOM 0 H ALA A 83 -7.787 -9.386 -21.129 1.00 1.14 H new ATOM 0 HA ALA A 83 -8.523 -6.697 -21.684 1.00 12.23 H new ATOM 0 HB1 ALA A 83 -10.794 -7.522 -21.161 1.00 40.13 H new ATOM 0 HB2 ALA A 83 -9.925 -8.625 -22.255 1.00 40.13 H new ATOM 0 HB3 ALA A 83 -10.091 -9.031 -20.530 1.00 40.13 H new ATOM 1310 N VAL A 84 -8.669 -7.674 -18.528 1.00 75.41 N ATOM 1311 CA VAL A 84 -8.714 -7.185 -17.156 1.00 53.25 C ATOM 1312 C VAL A 84 -7.488 -6.337 -16.834 1.00 54.52 C ATOM 1313 O VAL A 84 -7.581 -5.340 -16.115 1.00 70.33 O ATOM 1314 CB VAL A 84 -8.800 -8.347 -16.149 1.00 73.04 C ATOM 1315 CG1 VAL A 84 -8.924 -7.816 -14.729 1.00 54.13 C ATOM 1316 CG2 VAL A 84 -9.967 -9.261 -16.488 1.00 24.13 C ATOM 0 H VAL A 84 -8.601 -8.688 -18.612 1.00 75.41 H new ATOM 0 HA VAL A 84 -9.610 -6.571 -17.068 1.00 53.25 H new ATOM 0 HB VAL A 84 -7.881 -8.929 -16.215 1.00 73.04 H new ATOM 0 HG11 VAL A 84 -8.984 -8.652 -14.032 1.00 54.13 H new ATOM 0 HG12 VAL A 84 -8.052 -7.206 -14.491 1.00 54.13 H new ATOM 0 HG13 VAL A 84 -9.825 -7.209 -14.645 1.00 54.13 H new ATOM 0 HG21 VAL A 84 -10.012 -10.076 -15.766 1.00 24.13 H new ATOM 0 HG22 VAL A 84 -10.896 -8.693 -16.452 1.00 24.13 H new ATOM 0 HG23 VAL A 84 -9.830 -9.670 -17.489 1.00 24.13 H new ATOM 1326 N LEU A 85 -6.341 -6.739 -17.368 1.00 14.01 N ATOM 1327 CA LEU A 85 -5.095 -6.015 -17.138 1.00 73.40 C ATOM 1328 C LEU A 85 -5.158 -4.616 -17.743 1.00 74.14 C ATOM 1329 O LEU A 85 -4.934 -3.621 -17.054 1.00 32.50 O ATOM 1330 CB LEU A 85 -3.916 -6.788 -17.734 1.00 51.30 C ATOM 1331 CG LEU A 85 -2.613 -6.743 -16.936 1.00 73.25 C ATOM 1332 CD1 LEU A 85 -2.638 -7.769 -15.813 1.00 4.14 C ATOM 1333 CD2 LEU A 85 -1.419 -6.980 -17.850 1.00 24.10 C ATOM 0 H LEU A 85 -6.247 -7.562 -17.963 1.00 14.01 H new ATOM 0 HA LEU A 85 -4.953 -5.919 -16.062 1.00 73.40 H new ATOM 0 HB2 LEU A 85 -4.212 -7.831 -17.850 1.00 51.30 H new ATOM 0 HB3 LEU A 85 -3.720 -6.399 -18.733 1.00 51.30 H new ATOM 0 HG LEU A 85 -2.516 -5.752 -16.493 1.00 73.25 H new ATOM 0 HD11 LEU A 85 -1.702 -7.722 -15.256 1.00 4.14 H new ATOM 0 HD12 LEU A 85 -3.470 -7.554 -15.143 1.00 4.14 H new ATOM 0 HD13 LEU A 85 -2.760 -8.767 -16.234 1.00 4.14 H new ATOM 0 HD21 LEU A 85 -0.500 -6.944 -17.265 1.00 24.10 H new ATOM 0 HD22 LEU A 85 -1.511 -7.958 -18.322 1.00 24.10 H new ATOM 0 HD23 LEU A 85 -1.390 -6.207 -18.618 1.00 24.10 H new ATOM 1345 N TYR A 86 -5.465 -4.548 -19.033 1.00 2.21 N ATOM 1346 CA TYR A 86 -5.558 -3.271 -19.731 1.00 42.24 C ATOM 1347 C TYR A 86 -6.478 -2.309 -18.986 1.00 54.41 C ATOM 1348 O TYR A 86 -6.191 -1.117 -18.877 1.00 32.21 O ATOM 1349 CB TYR A 86 -6.069 -3.481 -21.158 1.00 50.43 C ATOM 1350 CG TYR A 86 -6.389 -2.193 -21.882 1.00 74.21 C ATOM 1351 CD1 TYR A 86 -7.643 -1.606 -21.774 1.00 22.04 C ATOM 1352 CD2 TYR A 86 -5.436 -1.564 -22.675 1.00 45.33 C ATOM 1353 CE1 TYR A 86 -7.940 -0.430 -22.435 1.00 32.11 C ATOM 1354 CE2 TYR A 86 -5.724 -0.388 -23.338 1.00 13.55 C ATOM 1355 CZ TYR A 86 -6.977 0.176 -23.215 1.00 1.23 C ATOM 1356 OH TYR A 86 -7.268 1.348 -23.875 1.00 2.32 O ATOM 0 H TYR A 86 -5.654 -5.362 -19.617 1.00 2.21 H new ATOM 0 HA TYR A 86 -4.560 -2.834 -19.770 1.00 42.24 H new ATOM 0 HB2 TYR A 86 -5.319 -4.031 -21.726 1.00 50.43 H new ATOM 0 HB3 TYR A 86 -6.964 -4.102 -21.127 1.00 50.43 H new ATOM 0 HD1 TYR A 86 -8.399 -2.077 -21.163 1.00 22.04 H new ATOM 0 HD2 TYR A 86 -4.454 -2.003 -22.774 1.00 45.33 H new ATOM 0 HE1 TYR A 86 -8.921 0.013 -22.342 1.00 32.11 H new ATOM 0 HE2 TYR A 86 -4.972 0.088 -23.950 1.00 13.55 H new ATOM 0 HH TYR A 86 -6.436 1.768 -24.179 1.00 2.32 H new ATOM 1366 N CYS A 87 -7.585 -2.836 -18.474 1.00 21.12 N ATOM 1367 CA CYS A 87 -8.549 -2.025 -17.739 1.00 2.10 C ATOM 1368 C CYS A 87 -7.912 -1.420 -16.493 1.00 14.14 C ATOM 1369 O CYS A 87 -8.035 -0.220 -16.239 1.00 64.53 O ATOM 1370 CB CYS A 87 -9.762 -2.870 -17.346 1.00 14.44 C ATOM 1371 SG CYS A 87 -11.149 -2.752 -18.501 1.00 54.21 S ATOM 0 H CYS A 87 -7.837 -3.821 -18.554 1.00 21.12 H new ATOM 0 HA CYS A 87 -8.875 -1.213 -18.389 1.00 2.10 H new ATOM 0 HB2 CYS A 87 -9.455 -3.913 -17.269 1.00 14.44 H new ATOM 0 HB3 CYS A 87 -10.100 -2.563 -16.356 1.00 14.44 H new ATOM 0 HG CYS A 87 -12.195 -2.297 -17.878 1.00 54.21 H new ATOM 1377 N VAL A 88 -7.230 -2.256 -15.715 1.00 24.34 N ATOM 1378 CA VAL A 88 -6.573 -1.803 -14.496 1.00 11.14 C ATOM 1379 C VAL A 88 -5.504 -0.761 -14.802 1.00 74.32 C ATOM 1380 O VAL A 88 -5.357 0.225 -14.077 1.00 22.53 O ATOM 1381 CB VAL A 88 -5.928 -2.977 -13.737 1.00 72.51 C ATOM 1382 CG1 VAL A 88 -5.230 -2.481 -12.479 1.00 24.12 C ATOM 1383 CG2 VAL A 88 -6.972 -4.031 -13.397 1.00 12.24 C ATOM 0 H VAL A 88 -7.119 -3.251 -15.909 1.00 24.34 H new ATOM 0 HA VAL A 88 -7.344 -1.354 -13.869 1.00 11.14 H new ATOM 0 HB VAL A 88 -5.179 -3.436 -14.383 1.00 72.51 H new ATOM 0 HG11 VAL A 88 -4.780 -3.325 -11.956 1.00 24.12 H new ATOM 0 HG12 VAL A 88 -4.453 -1.767 -12.752 1.00 24.12 H new ATOM 0 HG13 VAL A 88 -5.956 -1.995 -11.827 1.00 24.12 H new ATOM 0 HG21 VAL A 88 -6.498 -4.853 -12.861 1.00 12.24 H new ATOM 0 HG22 VAL A 88 -7.746 -3.588 -12.771 1.00 12.24 H new ATOM 0 HG23 VAL A 88 -7.421 -4.408 -14.316 1.00 12.24 H new ATOM 1393 N HIS A 89 -4.759 -0.984 -15.880 1.00 51.11 N ATOM 1394 CA HIS A 89 -3.701 -0.063 -16.284 1.00 13.55 C ATOM 1395 C HIS A 89 -4.285 1.289 -16.685 1.00 33.30 C ATOM 1396 O HIS A 89 -3.569 2.279 -16.537 1.00 34.23 O ATOM 1397 CB HIS A 89 -2.900 -0.650 -17.445 1.00 71.40 C ATOM 1398 CG HIS A 89 -1.880 -1.661 -17.018 1.00 3.11 C ATOM 1399 ND1 HIS A 89 -1.240 -1.615 -15.798 1.00 5.52 N ATOM 1400 CD2 HIS A 89 -1.390 -2.749 -17.657 1.00 11.30 C ATOM 1401 CE1 HIS A 89 -0.401 -2.631 -15.705 1.00 42.34 C ATOM 1402 NE2 HIS A 89 -0.474 -3.336 -16.820 1.00 34.23 N ATOM 0 H HIS A 89 -4.868 -1.794 -16.490 1.00 51.11 H new ATOM 0 HA HIS A 89 -3.036 0.085 -15.433 1.00 13.55 H new ATOM 0 HB2 HIS A 89 -3.587 -1.115 -18.151 1.00 71.40 H new ATOM 0 HB3 HIS A 89 -2.398 0.159 -17.975 1.00 71.40 H new ATOM 0 HD2 HIS A 89 -1.668 -3.092 -18.643 1.00 11.30 H new ATOM 0 HE1 HIS A 89 0.236 -2.848 -14.861 1.00 42.34 H new ATOM 0 HE2 HIS A 89 0.063 -4.179 -17.025 1.00 34.23 H new ATOM 1411 N GLN A 90 -5.520 1.354 -17.172 1.00 41.32 N ATOM 1412 CA GLN A 90 -6.119 2.623 -17.569 1.00 74.52 C ATOM 1413 C GLN A 90 -6.971 3.199 -16.444 1.00 54.44 C ATOM 1414 O GLN A 90 -7.909 3.959 -16.688 1.00 63.53 O ATOM 1415 CB GLN A 90 -6.970 2.438 -18.826 1.00 35.42 C ATOM 1416 CG GLN A 90 -6.159 2.086 -20.063 1.00 62.12 C ATOM 1417 CD GLN A 90 -5.760 3.307 -20.867 1.00 33.45 C ATOM 1418 OE1 GLN A 90 -5.778 4.430 -20.362 1.00 32.44 O ATOM 1419 NE2 GLN A 90 -5.397 3.095 -22.127 1.00 41.15 N ATOM 0 H GLN A 90 -6.125 0.543 -17.301 1.00 41.32 H new ATOM 0 HA GLN A 90 -5.313 3.324 -17.784 1.00 74.52 H new ATOM 0 HB2 GLN A 90 -7.703 1.651 -18.646 1.00 35.42 H new ATOM 0 HB3 GLN A 90 -7.527 3.355 -19.016 1.00 35.42 H new ATOM 0 HG2 GLN A 90 -5.262 1.545 -19.762 1.00 62.12 H new ATOM 0 HG3 GLN A 90 -6.740 1.414 -20.695 1.00 62.12 H new ATOM 0 HE21 GLN A 90 -5.397 2.148 -22.505 1.00 41.15 H new ATOM 0 HE22 GLN A 90 -5.119 3.880 -22.716 1.00 41.15 H new ATOM 1428 N ARG A 91 -6.638 2.834 -15.210 1.00 3.35 N ATOM 1429 CA ARG A 91 -7.375 3.313 -14.047 1.00 13.31 C ATOM 1430 C ARG A 91 -8.860 2.980 -14.167 1.00 34.33 C ATOM 1431 O ARG A 91 -9.708 3.665 -13.595 1.00 52.40 O ATOM 1432 CB ARG A 91 -7.191 4.824 -13.887 1.00 21.03 C ATOM 1433 CG ARG A 91 -7.059 5.272 -12.441 1.00 63.11 C ATOM 1434 CD ARG A 91 -6.255 6.557 -12.327 1.00 22.52 C ATOM 1435 NE ARG A 91 -7.055 7.735 -12.652 1.00 62.12 N ATOM 1436 CZ ARG A 91 -7.907 8.301 -11.803 1.00 22.43 C ATOM 1437 NH1 ARG A 91 -8.068 7.799 -10.588 1.00 54.41 N ATOM 1438 NH2 ARG A 91 -8.600 9.371 -12.173 1.00 75.24 N ATOM 0 H ARG A 91 -5.863 2.208 -14.990 1.00 3.35 H new ATOM 0 HA ARG A 91 -6.979 2.810 -13.165 1.00 13.31 H new ATOM 0 HB2 ARG A 91 -6.302 5.133 -14.437 1.00 21.03 H new ATOM 0 HB3 ARG A 91 -8.040 5.335 -14.341 1.00 21.03 H new ATOM 0 HG2 ARG A 91 -8.050 5.423 -12.014 1.00 63.11 H new ATOM 0 HG3 ARG A 91 -6.577 4.487 -11.858 1.00 63.11 H new ATOM 0 HD2 ARG A 91 -5.866 6.652 -11.313 1.00 22.52 H new ATOM 0 HD3 ARG A 91 -5.395 6.507 -12.995 1.00 22.52 H new ATOM 0 HE ARG A 91 -6.955 8.145 -13.580 1.00 62.12 H new ATOM 0 HH11 ARG A 91 -7.538 6.976 -10.302 1.00 54.41 H new ATOM 0 HH12 ARG A 91 -8.722 8.235 -9.939 1.00 54.41 H new ATOM 0 HH21 ARG A 91 -8.479 9.759 -13.109 1.00 75.24 H new ATOM 0 HH22 ARG A 91 -9.254 9.805 -11.522 1.00 75.24 H new ATOM 1452 N ILE A 92 -9.165 1.927 -14.917 1.00 44.52 N ATOM 1453 CA ILE A 92 -10.546 1.504 -15.112 1.00 45.32 C ATOM 1454 C ILE A 92 -10.922 0.388 -14.142 1.00 50.12 C ATOM 1455 O ILE A 92 -10.295 -0.672 -14.127 1.00 52.24 O ATOM 1456 CB ILE A 92 -10.788 1.017 -16.553 1.00 33.35 C ATOM 1457 CG1 ILE A 92 -10.235 2.033 -17.556 1.00 64.03 C ATOM 1458 CG2 ILE A 92 -12.272 0.784 -16.792 1.00 42.10 C ATOM 1459 CD1 ILE A 92 -10.412 1.616 -18.999 1.00 5.41 C ATOM 0 H ILE A 92 -8.475 1.351 -15.399 1.00 44.52 H new ATOM 0 HA ILE A 92 -11.172 2.376 -14.921 1.00 45.32 H new ATOM 0 HB ILE A 92 -10.265 0.071 -16.694 1.00 33.35 H new ATOM 0 HG12 ILE A 92 -10.730 2.992 -17.400 1.00 64.03 H new ATOM 0 HG13 ILE A 92 -9.174 2.186 -17.358 1.00 64.03 H new ATOM 0 HG21 ILE A 92 -12.426 0.440 -17.815 1.00 42.10 H new ATOM 0 HG22 ILE A 92 -12.638 0.029 -16.096 1.00 42.10 H new ATOM 0 HG23 ILE A 92 -12.816 1.715 -16.636 1.00 42.10 H new ATOM 0 HD11 ILE A 92 -9.997 2.383 -19.653 1.00 5.41 H new ATOM 0 HD12 ILE A 92 -9.893 0.673 -19.171 1.00 5.41 H new ATOM 0 HD13 ILE A 92 -11.473 1.491 -19.214 1.00 5.41 H new ATOM 1471 N ASP A 93 -11.949 0.633 -13.336 1.00 30.23 N ATOM 1472 CA ASP A 93 -12.411 -0.351 -12.365 1.00 55.34 C ATOM 1473 C ASP A 93 -13.468 -1.264 -12.977 1.00 10.22 C ATOM 1474 O ASP A 93 -14.431 -0.795 -13.586 1.00 61.34 O ATOM 1475 CB ASP A 93 -12.976 0.348 -11.128 1.00 42.30 C ATOM 1476 CG ASP A 93 -11.990 1.319 -10.509 1.00 20.51 C ATOM 1477 OD1 ASP A 93 -11.195 0.888 -9.646 1.00 3.34 O ATOM 1478 OD2 ASP A 93 -12.011 2.508 -10.888 1.00 72.41 O ATOM 0 H ASP A 93 -12.478 1.505 -13.336 1.00 30.23 H new ATOM 0 HA ASP A 93 -11.558 -0.961 -12.069 1.00 55.34 H new ATOM 0 HB2 ASP A 93 -13.886 0.883 -11.401 1.00 42.30 H new ATOM 0 HB3 ASP A 93 -13.257 -0.401 -10.388 1.00 42.30 H new ATOM 1483 N VAL A 94 -13.284 -2.569 -12.813 1.00 72.35 N ATOM 1484 CA VAL A 94 -14.221 -3.548 -13.349 1.00 64.11 C ATOM 1485 C VAL A 94 -14.678 -4.522 -12.268 1.00 35.41 C ATOM 1486 O VAL A 94 -14.073 -4.608 -11.199 1.00 24.20 O ATOM 1487 CB VAL A 94 -13.598 -4.344 -14.512 1.00 50.10 C ATOM 1488 CG1 VAL A 94 -13.455 -3.465 -15.745 1.00 53.13 C ATOM 1489 CG2 VAL A 94 -12.253 -4.923 -14.100 1.00 3.31 C ATOM 0 H VAL A 94 -12.493 -2.974 -12.312 1.00 72.35 H new ATOM 0 HA VAL A 94 -15.082 -2.991 -13.720 1.00 64.11 H new ATOM 0 HB VAL A 94 -14.263 -5.171 -14.761 1.00 50.10 H new ATOM 0 HG11 VAL A 94 -13.013 -4.044 -16.556 1.00 53.13 H new ATOM 0 HG12 VAL A 94 -14.437 -3.104 -16.050 1.00 53.13 H new ATOM 0 HG13 VAL A 94 -12.812 -2.616 -15.514 1.00 53.13 H new ATOM 0 HG21 VAL A 94 -11.827 -5.482 -14.933 1.00 3.31 H new ATOM 0 HG22 VAL A 94 -11.578 -4.113 -13.823 1.00 3.31 H new ATOM 0 HG23 VAL A 94 -12.389 -5.589 -13.248 1.00 3.31 H new ATOM 1499 N LYS A 95 -15.749 -5.255 -12.554 1.00 34.24 N ATOM 1500 CA LYS A 95 -16.287 -6.225 -11.608 1.00 32.31 C ATOM 1501 C LYS A 95 -15.824 -7.637 -11.953 1.00 74.11 C ATOM 1502 O LYS A 95 -15.578 -8.454 -11.065 1.00 32.11 O ATOM 1503 CB LYS A 95 -17.816 -6.167 -11.601 1.00 14.34 C ATOM 1504 CG LYS A 95 -18.375 -4.949 -10.885 1.00 62.41 C ATOM 1505 CD LYS A 95 -18.303 -5.107 -9.375 1.00 24.35 C ATOM 1506 CE LYS A 95 -18.341 -3.760 -8.671 1.00 24.11 C ATOM 1507 NZ LYS A 95 -17.045 -3.444 -8.009 1.00 20.34 N ATOM 0 H LYS A 95 -16.262 -5.195 -13.434 1.00 34.24 H new ATOM 0 HA LYS A 95 -15.914 -5.972 -10.615 1.00 32.31 H new ATOM 0 HB2 LYS A 95 -18.176 -6.170 -12.630 1.00 14.34 H new ATOM 0 HB3 LYS A 95 -18.203 -7.068 -11.125 1.00 14.34 H new ATOM 0 HG2 LYS A 95 -17.818 -4.062 -11.186 1.00 62.41 H new ATOM 0 HG3 LYS A 95 -19.411 -4.792 -11.186 1.00 62.41 H new ATOM 0 HD2 LYS A 95 -19.136 -5.721 -9.032 1.00 24.35 H new ATOM 0 HD3 LYS A 95 -17.387 -5.633 -9.107 1.00 24.35 H new ATOM 0 HE2 LYS A 95 -18.580 -2.979 -9.393 1.00 24.11 H new ATOM 0 HE3 LYS A 95 -19.138 -3.761 -7.927 1.00 24.11 H new ATOM 0 HZ1 LYS A 95 -17.111 -2.518 -7.540 1.00 20.34 H new ATOM 0 HZ2 LYS A 95 -16.829 -4.175 -7.302 1.00 20.34 H new ATOM 0 HZ3 LYS A 95 -16.288 -3.418 -8.722 1.00 20.34 H new ATOM 1521 N ASP A 96 -15.704 -7.916 -13.246 1.00 1.24 N ATOM 1522 CA ASP A 96 -15.267 -9.228 -13.708 1.00 51.01 C ATOM 1523 C ASP A 96 -14.514 -9.116 -15.029 1.00 74.23 C ATOM 1524 O ASP A 96 -14.275 -8.016 -15.531 1.00 52.44 O ATOM 1525 CB ASP A 96 -16.468 -10.161 -13.869 1.00 52.15 C ATOM 1526 CG ASP A 96 -17.590 -9.529 -14.667 1.00 14.14 C ATOM 1527 OD1 ASP A 96 -17.564 -9.632 -15.912 1.00 15.35 O ATOM 1528 OD2 ASP A 96 -18.494 -8.931 -14.048 1.00 12.33 O ATOM 0 H ASP A 96 -15.903 -7.251 -13.993 1.00 1.24 H new ATOM 0 HA ASP A 96 -14.592 -9.643 -12.960 1.00 51.01 H new ATOM 0 HB2 ASP A 96 -16.148 -11.079 -14.362 1.00 52.15 H new ATOM 0 HB3 ASP A 96 -16.840 -10.442 -12.884 1.00 52.15 H new ATOM 1533 N THR A 97 -14.138 -10.261 -15.590 1.00 14.21 N ATOM 1534 CA THR A 97 -13.410 -10.292 -16.852 1.00 71.22 C ATOM 1535 C THR A 97 -14.305 -9.877 -18.014 1.00 62.44 C ATOM 1536 O THR A 97 -13.828 -9.361 -19.025 1.00 1.45 O ATOM 1537 CB THR A 97 -12.835 -11.693 -17.135 1.00 13.53 C ATOM 1538 OG1 THR A 97 -11.928 -12.071 -16.093 1.00 21.05 O ATOM 1539 CG2 THR A 97 -12.116 -11.722 -18.475 1.00 64.03 C ATOM 0 H THR A 97 -14.326 -11.180 -15.189 1.00 14.21 H new ATOM 0 HA THR A 97 -12.588 -9.582 -16.760 1.00 71.22 H new ATOM 0 HB THR A 97 -13.663 -12.401 -17.169 1.00 13.53 H new ATOM 0 HG1 THR A 97 -12.065 -13.014 -15.866 1.00 21.05 H new ATOM 0 HG21 THR A 97 -11.718 -12.721 -18.653 1.00 64.03 H new ATOM 0 HG22 THR A 97 -12.816 -11.463 -19.269 1.00 64.03 H new ATOM 0 HG23 THR A 97 -11.297 -11.002 -18.464 1.00 64.03 H new ATOM 1547 N LYS A 98 -15.604 -10.107 -17.864 1.00 11.41 N ATOM 1548 CA LYS A 98 -16.569 -9.755 -18.900 1.00 71.40 C ATOM 1549 C LYS A 98 -16.808 -8.249 -18.933 1.00 50.25 C ATOM 1550 O LYS A 98 -16.786 -7.631 -19.996 1.00 5.45 O ATOM 1551 CB LYS A 98 -17.891 -10.488 -18.665 1.00 2.51 C ATOM 1552 CG LYS A 98 -18.547 -10.984 -19.942 1.00 11.31 C ATOM 1553 CD LYS A 98 -17.964 -12.315 -20.387 1.00 10.42 C ATOM 1554 CE LYS A 98 -19.008 -13.175 -21.082 1.00 31.12 C ATOM 1555 NZ LYS A 98 -18.799 -13.219 -22.557 1.00 54.31 N ATOM 0 H LYS A 98 -16.014 -10.536 -17.034 1.00 11.41 H new ATOM 0 HA LYS A 98 -16.158 -10.060 -19.862 1.00 71.40 H new ATOM 0 HB2 LYS A 98 -17.714 -11.337 -18.004 1.00 2.51 H new ATOM 0 HB3 LYS A 98 -18.580 -9.820 -18.148 1.00 2.51 H new ATOM 0 HG2 LYS A 98 -19.620 -11.090 -19.783 1.00 11.31 H new ATOM 0 HG3 LYS A 98 -18.413 -10.245 -20.732 1.00 11.31 H new ATOM 0 HD2 LYS A 98 -17.127 -12.139 -21.063 1.00 10.42 H new ATOM 0 HD3 LYS A 98 -17.569 -12.848 -19.522 1.00 10.42 H new ATOM 0 HE2 LYS A 98 -18.971 -14.187 -20.680 1.00 31.12 H new ATOM 0 HE3 LYS A 98 -20.002 -12.783 -20.868 1.00 31.12 H new ATOM 0 HZ1 LYS A 98 -19.531 -13.815 -22.994 1.00 54.31 H new ATOM 0 HZ2 LYS A 98 -18.860 -12.256 -22.945 1.00 54.31 H new ATOM 0 HZ3 LYS A 98 -17.860 -13.617 -22.763 1.00 54.31 H new ATOM 1569 N GLU A 99 -17.034 -7.665 -17.759 1.00 23.53 N ATOM 1570 CA GLU A 99 -17.277 -6.231 -17.655 1.00 25.35 C ATOM 1571 C GLU A 99 -16.179 -5.440 -18.362 1.00 71.35 C ATOM 1572 O GLU A 99 -16.452 -4.459 -19.052 1.00 0.03 O ATOM 1573 CB GLU A 99 -17.359 -5.810 -16.187 1.00 71.15 C ATOM 1574 CG GLU A 99 -18.745 -5.357 -15.759 1.00 64.44 C ATOM 1575 CD GLU A 99 -18.818 -3.865 -15.507 1.00 13.53 C ATOM 1576 OE1 GLU A 99 -18.231 -3.401 -14.508 1.00 14.33 O ATOM 1577 OE2 GLU A 99 -19.465 -3.159 -16.311 1.00 53.15 O ATOM 0 H GLU A 99 -17.054 -8.162 -16.869 1.00 23.53 H new ATOM 0 HA GLU A 99 -18.228 -6.014 -18.141 1.00 25.35 H new ATOM 0 HB2 GLU A 99 -17.050 -6.647 -15.560 1.00 71.15 H new ATOM 0 HB3 GLU A 99 -16.651 -5.001 -16.010 1.00 71.15 H new ATOM 0 HG2 GLU A 99 -19.466 -5.627 -16.531 1.00 64.44 H new ATOM 0 HG3 GLU A 99 -19.034 -5.889 -14.853 1.00 64.44 H new ATOM 1584 N ALA A 100 -14.936 -5.876 -18.183 1.00 41.44 N ATOM 1585 CA ALA A 100 -13.797 -5.212 -18.803 1.00 34.13 C ATOM 1586 C ALA A 100 -13.926 -5.203 -20.323 1.00 2.42 C ATOM 1587 O ALA A 100 -13.484 -4.266 -20.989 1.00 11.53 O ATOM 1588 CB ALA A 100 -12.500 -5.888 -18.386 1.00 64.21 C ATOM 0 H ALA A 100 -14.693 -6.686 -17.613 1.00 41.44 H new ATOM 0 HA ALA A 100 -13.781 -4.178 -18.460 1.00 34.13 H new ATOM 0 HB1 ALA A 100 -11.658 -5.381 -18.857 1.00 64.21 H new ATOM 0 HB2 ALA A 100 -12.395 -5.836 -17.302 1.00 64.21 H new ATOM 0 HB3 ALA A 100 -12.517 -6.932 -18.699 1.00 64.21 H new ATOM 1594 N LEU A 101 -14.536 -6.251 -20.865 1.00 41.12 N ATOM 1595 CA LEU A 101 -14.724 -6.365 -22.307 1.00 33.25 C ATOM 1596 C LEU A 101 -15.753 -5.354 -22.804 1.00 23.31 C ATOM 1597 O LEU A 101 -15.634 -4.824 -23.908 1.00 23.32 O ATOM 1598 CB LEU A 101 -15.167 -7.782 -22.674 1.00 70.41 C ATOM 1599 CG LEU A 101 -14.234 -8.558 -23.604 1.00 61.23 C ATOM 1600 CD1 LEU A 101 -14.042 -7.809 -24.913 1.00 31.13 C ATOM 1601 CD2 LEU A 101 -12.893 -8.806 -22.929 1.00 44.15 C ATOM 0 H LEU A 101 -14.909 -7.034 -20.328 1.00 41.12 H new ATOM 0 HA LEU A 101 -13.770 -6.153 -22.790 1.00 33.25 H new ATOM 0 HB2 LEU A 101 -15.287 -8.353 -21.754 1.00 70.41 H new ATOM 0 HB3 LEU A 101 -16.149 -7.724 -23.143 1.00 70.41 H new ATOM 0 HG LEU A 101 -14.692 -9.522 -23.824 1.00 61.23 H new ATOM 0 HD11 LEU A 101 -13.375 -8.376 -25.562 1.00 31.13 H new ATOM 0 HD12 LEU A 101 -15.007 -7.683 -25.405 1.00 31.13 H new ATOM 0 HD13 LEU A 101 -13.607 -6.830 -24.712 1.00 31.13 H new ATOM 0 HD21 LEU A 101 -12.242 -9.359 -23.606 1.00 44.15 H new ATOM 0 HD22 LEU A 101 -12.429 -7.852 -22.679 1.00 44.15 H new ATOM 0 HD23 LEU A 101 -13.046 -9.385 -22.018 1.00 44.15 H new ATOM 1613 N ASP A 102 -16.761 -5.091 -21.980 1.00 15.21 N ATOM 1614 CA ASP A 102 -17.808 -4.140 -22.333 1.00 4.24 C ATOM 1615 C ASP A 102 -17.260 -2.717 -22.379 1.00 24.44 C ATOM 1616 O ASP A 102 -17.784 -1.861 -23.091 1.00 33.41 O ATOM 1617 CB ASP A 102 -18.960 -4.223 -21.331 1.00 5.55 C ATOM 1618 CG ASP A 102 -20.200 -3.492 -21.811 1.00 51.02 C ATOM 1619 OD1 ASP A 102 -20.774 -3.909 -22.838 1.00 42.20 O ATOM 1620 OD2 ASP A 102 -20.593 -2.502 -21.160 1.00 13.13 O ATOM 0 H ASP A 102 -16.875 -5.523 -21.063 1.00 15.21 H new ATOM 0 HA ASP A 102 -18.179 -4.399 -23.325 1.00 4.24 H new ATOM 0 HB2 ASP A 102 -19.206 -5.269 -21.151 1.00 5.55 H new ATOM 0 HB3 ASP A 102 -18.640 -3.802 -20.378 1.00 5.55 H new ATOM 1625 N LYS A 103 -16.202 -2.472 -21.614 1.00 52.11 N ATOM 1626 CA LYS A 103 -15.580 -1.154 -21.567 1.00 43.25 C ATOM 1627 C LYS A 103 -14.672 -0.937 -22.772 1.00 23.21 C ATOM 1628 O LYS A 103 -14.438 0.199 -23.189 1.00 64.12 O ATOM 1629 CB LYS A 103 -14.778 -0.993 -20.274 1.00 13.43 C ATOM 1630 CG LYS A 103 -14.640 0.451 -19.820 1.00 71.31 C ATOM 1631 CD LYS A 103 -15.178 0.647 -18.412 1.00 64.34 C ATOM 1632 CE LYS A 103 -16.618 1.138 -18.429 1.00 34.52 C ATOM 1633 NZ LYS A 103 -16.769 2.435 -17.714 1.00 41.03 N ATOM 0 H LYS A 103 -15.757 -3.169 -21.018 1.00 52.11 H new ATOM 0 HA LYS A 103 -16.371 -0.405 -21.593 1.00 43.25 H new ATOM 0 HB2 LYS A 103 -15.259 -1.569 -19.484 1.00 13.43 H new ATOM 0 HB3 LYS A 103 -13.784 -1.417 -20.418 1.00 13.43 H new ATOM 0 HG2 LYS A 103 -13.591 0.745 -19.854 1.00 71.31 H new ATOM 0 HG3 LYS A 103 -15.176 1.103 -20.509 1.00 71.31 H new ATOM 0 HD2 LYS A 103 -15.120 -0.294 -17.865 1.00 64.34 H new ATOM 0 HD3 LYS A 103 -14.554 1.365 -17.879 1.00 64.34 H new ATOM 0 HE2 LYS A 103 -16.951 1.251 -19.461 1.00 34.52 H new ATOM 0 HE3 LYS A 103 -17.262 0.391 -17.966 1.00 34.52 H new ATOM 0 HZ1 LYS A 103 -17.764 2.736 -17.748 1.00 41.03 H new ATOM 0 HZ2 LYS A 103 -16.475 2.321 -16.723 1.00 41.03 H new ATOM 0 HZ3 LYS A 103 -16.174 3.155 -18.171 1.00 41.03 H new ATOM 1647 N ILE A 104 -14.163 -2.031 -23.329 1.00 40.32 N ATOM 1648 CA ILE A 104 -13.282 -1.959 -24.488 1.00 44.13 C ATOM 1649 C ILE A 104 -14.078 -2.025 -25.788 1.00 40.34 C ATOM 1650 O ILE A 104 -13.813 -1.275 -26.726 1.00 65.11 O ATOM 1651 CB ILE A 104 -12.243 -3.096 -24.476 1.00 24.34 C ATOM 1652 CG1 ILE A 104 -11.408 -3.041 -23.196 1.00 61.12 C ATOM 1653 CG2 ILE A 104 -11.348 -3.008 -25.704 1.00 12.15 C ATOM 1654 CD1 ILE A 104 -10.551 -4.268 -22.981 1.00 41.25 C ATOM 0 H ILE A 104 -14.346 -2.978 -22.996 1.00 40.32 H new ATOM 0 HA ILE A 104 -12.762 -1.003 -24.431 1.00 44.13 H new ATOM 0 HB ILE A 104 -12.770 -4.050 -24.502 1.00 24.34 H new ATOM 0 HG12 ILE A 104 -10.766 -2.161 -23.228 1.00 61.12 H new ATOM 0 HG13 ILE A 104 -12.074 -2.919 -22.342 1.00 61.12 H new ATOM 0 HG21 ILE A 104 -10.619 -3.818 -25.682 1.00 12.15 H new ATOM 0 HG22 ILE A 104 -11.956 -3.092 -26.604 1.00 12.15 H new ATOM 0 HG23 ILE A 104 -10.827 -2.051 -25.707 1.00 12.15 H new ATOM 0 HD11 ILE A 104 -9.986 -4.160 -22.055 1.00 41.25 H new ATOM 0 HD12 ILE A 104 -11.188 -5.150 -22.917 1.00 41.25 H new ATOM 0 HD13 ILE A 104 -9.860 -4.380 -23.816 1.00 41.25 H new