USER MOD reduce.3.24.130724 H: found=0, std=0, add=625, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 621 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 40 SER OG : rot 180:sc= 0.0776 USER MOD Set 1.2: A 43 GLN : amide:sc= 0 X(o=0.078,f=0.39) USER MOD Set 2.1: A 26 CYS SG : rot 101:sc= -2.32! USER MOD Set 2.2: A 30 TYR OH : rot 164:sc= 0.863 USER MOD Set 2.3: A 62 HIS : no HD1:sc= 0.279 K(o=-1.2,f=-6.6) USER MOD Set 3.1: A 6 SER OG : rot 180:sc= 1.15 USER MOD Set 3.2: A 9 SER OG : rot -141:sc= 0.918 USER MOD Single : A 1 GLY N :NH3+ -172:sc= 0 (180deg=-0.0809) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0471 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0.0767 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 MET CE :methyl 135:sc= -0.534 (180deg=-1.95) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= 0.0307 K(o=0.031,f=-1.9) USER MOD Single : A 29 GLN : amide:sc= -0.342 X(o=-0.34,f=-0.0076) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -0.483 K(o=-0.48,f=-1.6!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.197 USER MOD Single : A 49 HIS : no HD1:sc= -0.401 X(o=-0.4,f=-0.00026) USER MOD Single : A 50 GLN : amide:sc= -0.369 K(o=-0.37,f=-1.5) USER MOD Single : A 58 SER OG : rot 180:sc= 0.0045 USER MOD Single : A 63 GLN : amide:sc= -1.11 K(o=-1.1,f=-3.1) USER MOD Single : A 74 CYS SG : rot 180:sc= -0.444 USER MOD Single : A 77 ASN : amide:sc= 1.17 K(o=1.2,f=0) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.525 12.704 -8.641 1.00 0.00 N ATOM 2 CA GLY A 1 -10.620 11.817 -8.294 1.00 0.00 C ATOM 3 C GLY A 1 -10.387 11.094 -6.982 1.00 0.00 C ATOM 4 O GLY A 1 -11.319 10.890 -6.205 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.789 13.274 -9.470 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.321 13.334 -7.839 1.00 0.00 H new ATOM 0 H3 GLY A 1 -8.679 12.141 -8.863 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.543 12.393 -8.229 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.756 11.085 -9.090 1.00 0.00 H new ATOM 8 N SER A 2 -9.140 10.705 -6.736 1.00 0.00 N ATOM 9 CA SER A 2 -8.788 9.996 -5.512 1.00 0.00 C ATOM 10 C SER A 2 -7.279 9.793 -5.416 1.00 0.00 C ATOM 11 O SER A 2 -6.540 10.100 -6.351 1.00 0.00 O ATOM 12 CB SER A 2 -9.501 8.643 -5.459 1.00 0.00 C ATOM 13 OG SER A 2 -9.433 8.081 -4.159 1.00 0.00 O ATOM 0 H SER A 2 -8.357 10.869 -7.368 1.00 0.00 H new ATOM 0 HA SER A 2 -9.110 10.602 -4.665 1.00 0.00 H new ATOM 0 HB2 SER A 2 -10.544 8.766 -5.751 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.047 7.961 -6.178 1.00 0.00 H new ATOM 0 HG SER A 2 -9.897 7.218 -4.151 1.00 0.00 H new ATOM 19 N SER A 3 -6.830 9.273 -4.278 1.00 0.00 N ATOM 20 CA SER A 3 -5.409 9.032 -4.056 1.00 0.00 C ATOM 21 C SER A 3 -5.168 7.604 -3.578 1.00 0.00 C ATOM 22 O SER A 3 -4.207 7.331 -2.860 1.00 0.00 O ATOM 23 CB SER A 3 -4.855 10.025 -3.032 1.00 0.00 C ATOM 24 OG SER A 3 -5.474 9.853 -1.769 1.00 0.00 O ATOM 0 H SER A 3 -7.430 9.011 -3.496 1.00 0.00 H new ATOM 0 HA SER A 3 -4.890 9.172 -5.004 1.00 0.00 H new ATOM 0 HB2 SER A 3 -3.778 9.889 -2.934 1.00 0.00 H new ATOM 0 HB3 SER A 3 -5.017 11.044 -3.384 1.00 0.00 H new ATOM 0 HG SER A 3 -5.102 10.498 -1.132 1.00 0.00 H new ATOM 30 N GLY A 4 -6.049 6.694 -3.984 1.00 0.00 N ATOM 31 CA GLY A 4 -5.916 5.304 -3.588 1.00 0.00 C ATOM 32 C GLY A 4 -5.381 4.432 -4.706 1.00 0.00 C ATOM 33 O GLY A 4 -4.710 4.919 -5.615 1.00 0.00 O ATOM 0 H GLY A 4 -6.852 6.895 -4.580 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -5.250 5.236 -2.728 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -6.887 4.926 -3.269 1.00 0.00 H new ATOM 37 N SER A 5 -5.677 3.138 -4.637 1.00 0.00 N ATOM 38 CA SER A 5 -5.216 2.194 -5.649 1.00 0.00 C ATOM 39 C SER A 5 -6.362 1.778 -6.566 1.00 0.00 C ATOM 40 O SER A 5 -7.516 1.710 -6.144 1.00 0.00 O ATOM 41 CB SER A 5 -4.606 0.958 -4.984 1.00 0.00 C ATOM 42 OG SER A 5 -3.293 1.224 -4.520 1.00 0.00 O ATOM 0 H SER A 5 -6.233 2.719 -3.892 1.00 0.00 H new ATOM 0 HA SER A 5 -4.453 2.688 -6.251 1.00 0.00 H new ATOM 0 HB2 SER A 5 -5.233 0.643 -4.150 1.00 0.00 H new ATOM 0 HB3 SER A 5 -4.583 0.132 -5.695 1.00 0.00 H new ATOM 0 HG SER A 5 -2.926 0.419 -4.098 1.00 0.00 H new ATOM 48 N SER A 6 -6.033 1.501 -7.824 1.00 0.00 N ATOM 49 CA SER A 6 -7.035 1.096 -8.804 1.00 0.00 C ATOM 50 C SER A 6 -6.372 0.509 -10.046 1.00 0.00 C ATOM 51 O SER A 6 -5.381 1.040 -10.545 1.00 0.00 O ATOM 52 CB SER A 6 -7.910 2.288 -9.194 1.00 0.00 C ATOM 53 OG SER A 6 -7.122 3.363 -9.676 1.00 0.00 O ATOM 0 H SER A 6 -5.082 1.549 -8.188 1.00 0.00 H new ATOM 0 HA SER A 6 -7.662 0.329 -8.350 1.00 0.00 H new ATOM 0 HB2 SER A 6 -8.624 1.984 -9.960 1.00 0.00 H new ATOM 0 HB3 SER A 6 -8.489 2.616 -8.331 1.00 0.00 H new ATOM 0 HG SER A 6 -7.705 4.112 -9.920 1.00 0.00 H new ATOM 59 N GLY A 7 -6.929 -0.593 -10.542 1.00 0.00 N ATOM 60 CA GLY A 7 -6.380 -1.235 -11.722 1.00 0.00 C ATOM 61 C GLY A 7 -6.937 -0.659 -13.008 1.00 0.00 C ATOM 62 O GLY A 7 -6.206 -0.467 -13.979 1.00 0.00 O ATOM 0 H GLY A 7 -7.750 -1.052 -10.147 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -5.295 -1.127 -11.719 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.594 -2.303 -11.683 1.00 0.00 H new ATOM 66 N VAL A 8 -8.238 -0.384 -13.017 1.00 0.00 N ATOM 67 CA VAL A 8 -8.893 0.173 -14.194 1.00 0.00 C ATOM 68 C VAL A 8 -8.220 1.467 -14.638 1.00 0.00 C ATOM 69 O VAL A 8 -8.290 1.846 -15.807 1.00 0.00 O ATOM 70 CB VAL A 8 -10.385 0.450 -13.927 1.00 0.00 C ATOM 71 CG1 VAL A 8 -11.080 0.907 -15.201 1.00 0.00 C ATOM 72 CG2 VAL A 8 -11.062 -0.787 -13.355 1.00 0.00 C ATOM 0 H VAL A 8 -8.859 -0.538 -12.222 1.00 0.00 H new ATOM 0 HA VAL A 8 -8.804 -0.570 -14.987 1.00 0.00 H new ATOM 0 HB VAL A 8 -10.462 1.251 -13.192 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -12.133 1.098 -14.993 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -10.610 1.821 -15.564 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -10.995 0.130 -15.960 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -12.115 -0.574 -13.172 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -10.976 -1.610 -14.065 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -10.580 -1.065 -12.418 1.00 0.00 H new ATOM 82 N SER A 9 -7.565 2.140 -13.697 1.00 0.00 N ATOM 83 CA SER A 9 -6.881 3.394 -13.990 1.00 0.00 C ATOM 84 C SER A 9 -5.632 3.147 -14.832 1.00 0.00 C ATOM 85 O SER A 9 -5.195 4.017 -15.585 1.00 0.00 O ATOM 86 CB SER A 9 -6.501 4.108 -12.692 1.00 0.00 C ATOM 87 OG SER A 9 -5.715 3.271 -11.860 1.00 0.00 O ATOM 0 H SER A 9 -7.494 1.838 -12.725 1.00 0.00 H new ATOM 0 HA SER A 9 -7.563 4.027 -14.558 1.00 0.00 H new ATOM 0 HB2 SER A 9 -5.948 5.019 -12.923 1.00 0.00 H new ATOM 0 HB3 SER A 9 -7.404 4.409 -12.161 1.00 0.00 H new ATOM 0 HG SER A 9 -5.974 3.404 -10.924 1.00 0.00 H new ATOM 93 N LYS A 10 -5.063 1.954 -14.698 1.00 0.00 N ATOM 94 CA LYS A 10 -3.865 1.589 -15.445 1.00 0.00 C ATOM 95 C LYS A 10 -4.192 0.569 -16.532 1.00 0.00 C ATOM 96 O LYS A 10 -3.321 -0.179 -16.975 1.00 0.00 O ATOM 97 CB LYS A 10 -2.802 1.022 -14.501 1.00 0.00 C ATOM 98 CG LYS A 10 -2.490 1.928 -13.323 1.00 0.00 C ATOM 99 CD LYS A 10 -0.992 2.084 -13.121 1.00 0.00 C ATOM 100 CE LYS A 10 -0.650 3.431 -12.505 1.00 0.00 C ATOM 101 NZ LYS A 10 -0.725 3.397 -11.018 1.00 0.00 N ATOM 0 H LYS A 10 -5.412 1.223 -14.079 1.00 0.00 H new ATOM 0 HA LYS A 10 -3.475 2.489 -15.921 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -3.139 0.056 -14.126 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -1.886 0.844 -15.064 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -2.940 2.907 -13.487 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -2.939 1.518 -12.418 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -0.626 1.285 -12.477 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -0.482 1.981 -14.079 1.00 0.00 H new ATOM 0 HE2 LYS A 10 0.354 3.726 -12.811 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -1.335 4.189 -12.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -0.485 4.334 -10.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -1.689 3.141 -10.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -0.053 2.692 -10.653 1.00 0.00 H new ATOM 115 N TRP A 11 -5.450 0.546 -16.956 1.00 0.00 N ATOM 116 CA TRP A 11 -5.890 -0.382 -17.991 1.00 0.00 C ATOM 117 C TRP A 11 -5.360 0.036 -19.358 1.00 0.00 C ATOM 118 O TRP A 11 -5.490 1.194 -19.757 1.00 0.00 O ATOM 119 CB TRP A 11 -7.418 -0.455 -18.024 1.00 0.00 C ATOM 120 CG TRP A 11 -7.970 -1.650 -17.308 1.00 0.00 C ATOM 121 CD1 TRP A 11 -7.397 -2.318 -16.263 1.00 0.00 C ATOM 122 CD2 TRP A 11 -9.205 -2.321 -17.586 1.00 0.00 C ATOM 123 NE1 TRP A 11 -8.201 -3.362 -15.875 1.00 0.00 N ATOM 124 CE2 TRP A 11 -9.316 -3.385 -16.670 1.00 0.00 C ATOM 125 CE3 TRP A 11 -10.227 -2.124 -18.518 1.00 0.00 C ATOM 126 CZ2 TRP A 11 -10.409 -4.249 -16.662 1.00 0.00 C ATOM 127 CZ3 TRP A 11 -11.311 -2.982 -18.509 1.00 0.00 C ATOM 128 CH2 TRP A 11 -11.395 -4.033 -17.586 1.00 0.00 C ATOM 0 H TRP A 11 -6.183 1.159 -16.599 1.00 0.00 H new ATOM 0 HA TRP A 11 -5.491 -1.368 -17.753 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -7.828 0.450 -17.575 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -7.752 -0.476 -19.062 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -6.451 -2.063 -15.809 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -8.000 -4.015 -15.117 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -10.171 -1.316 -19.233 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -10.476 -5.060 -15.952 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -12.107 -2.840 -19.225 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -12.255 -4.686 -17.604 1.00 0.00 H new ATOM 139 N SER A 12 -4.763 -0.912 -20.072 1.00 0.00 N ATOM 140 CA SER A 12 -4.209 -0.640 -21.394 1.00 0.00 C ATOM 141 C SER A 12 -5.306 -0.207 -22.363 1.00 0.00 C ATOM 142 O SER A 12 -6.493 -0.445 -22.143 1.00 0.00 O ATOM 143 CB SER A 12 -3.494 -1.879 -21.936 1.00 0.00 C ATOM 144 OG SER A 12 -3.390 -2.884 -20.941 1.00 0.00 O ATOM 0 H SER A 12 -4.650 -1.876 -19.758 1.00 0.00 H new ATOM 0 HA SER A 12 -3.489 0.173 -21.299 1.00 0.00 H new ATOM 0 HB2 SER A 12 -4.038 -2.269 -22.796 1.00 0.00 H new ATOM 0 HB3 SER A 12 -2.499 -1.605 -22.286 1.00 0.00 H new ATOM 0 HG SER A 12 -2.931 -3.666 -21.313 1.00 0.00 H new ATOM 150 N PRO A 13 -4.899 0.444 -23.463 1.00 0.00 N ATOM 151 CA PRO A 13 -5.829 0.924 -24.488 1.00 0.00 C ATOM 152 C PRO A 13 -6.460 -0.218 -25.279 1.00 0.00 C ATOM 153 O PRO A 13 -7.499 -0.045 -25.916 1.00 0.00 O ATOM 154 CB PRO A 13 -4.944 1.779 -25.398 1.00 0.00 C ATOM 155 CG PRO A 13 -3.572 1.230 -25.216 1.00 0.00 C ATOM 156 CD PRO A 13 -3.498 0.762 -23.789 1.00 0.00 C ATOM 0 HA PRO A 13 -6.668 1.467 -24.054 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -5.263 1.711 -26.438 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -4.989 2.832 -25.119 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -3.386 0.407 -25.906 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -2.818 1.991 -25.417 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -2.853 -0.110 -23.685 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -3.098 1.535 -23.133 1.00 0.00 H new ATOM 164 N SER A 14 -5.825 -1.385 -25.233 1.00 0.00 N ATOM 165 CA SER A 14 -6.322 -2.554 -25.948 1.00 0.00 C ATOM 166 C SER A 14 -7.195 -3.415 -25.040 1.00 0.00 C ATOM 167 O SER A 14 -8.071 -4.141 -25.510 1.00 0.00 O ATOM 168 CB SER A 14 -5.154 -3.383 -26.487 1.00 0.00 C ATOM 169 OG SER A 14 -5.337 -3.688 -27.859 1.00 0.00 O ATOM 0 H SER A 14 -4.965 -1.546 -24.708 1.00 0.00 H new ATOM 0 HA SER A 14 -6.929 -2.207 -26.784 1.00 0.00 H new ATOM 0 HB2 SER A 14 -4.222 -2.834 -26.354 1.00 0.00 H new ATOM 0 HB3 SER A 14 -5.064 -4.306 -25.915 1.00 0.00 H new ATOM 0 HG SER A 14 -4.577 -4.217 -28.181 1.00 0.00 H new ATOM 175 N GLN A 15 -6.948 -3.329 -23.737 1.00 0.00 N ATOM 176 CA GLN A 15 -7.710 -4.101 -22.763 1.00 0.00 C ATOM 177 C GLN A 15 -9.169 -3.655 -22.736 1.00 0.00 C ATOM 178 O GLN A 15 -10.081 -4.481 -22.737 1.00 0.00 O ATOM 179 CB GLN A 15 -7.095 -3.954 -21.370 1.00 0.00 C ATOM 180 CG GLN A 15 -5.910 -4.876 -21.128 1.00 0.00 C ATOM 181 CD GLN A 15 -6.331 -6.261 -20.678 1.00 0.00 C ATOM 182 OE1 GLN A 15 -6.486 -6.518 -19.484 1.00 0.00 O ATOM 183 NE2 GLN A 15 -6.518 -7.163 -21.635 1.00 0.00 N ATOM 0 H GLN A 15 -6.227 -2.733 -23.332 1.00 0.00 H new ATOM 0 HA GLN A 15 -7.674 -5.149 -23.060 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -6.776 -2.921 -21.230 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -7.861 -4.155 -20.621 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -5.325 -4.958 -22.044 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -5.259 -4.435 -20.373 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -6.378 -6.906 -22.612 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -6.802 -8.112 -21.393 1.00 0.00 H new ATOM 192 N VAL A 16 -9.381 -2.343 -22.713 1.00 0.00 N ATOM 193 CA VAL A 16 -10.729 -1.787 -22.687 1.00 0.00 C ATOM 194 C VAL A 16 -11.587 -2.375 -23.801 1.00 0.00 C ATOM 195 O VAL A 16 -12.796 -2.547 -23.644 1.00 0.00 O ATOM 196 CB VAL A 16 -10.706 -0.253 -22.825 1.00 0.00 C ATOM 197 CG1 VAL A 16 -12.121 0.304 -22.827 1.00 0.00 C ATOM 198 CG2 VAL A 16 -9.880 0.370 -21.710 1.00 0.00 C ATOM 0 H VAL A 16 -8.637 -1.645 -22.712 1.00 0.00 H new ATOM 0 HA VAL A 16 -11.162 -2.050 -21.722 1.00 0.00 H new ATOM 0 HB VAL A 16 -10.240 0.002 -23.777 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -12.085 1.389 -22.925 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -12.677 -0.118 -23.664 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -12.617 0.041 -21.893 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -9.875 1.454 -21.823 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -10.315 0.108 -20.745 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -8.858 -0.005 -21.761 1.00 0.00 H new ATOM 208 N VAL A 17 -10.954 -2.681 -24.929 1.00 0.00 N ATOM 209 CA VAL A 17 -11.659 -3.251 -26.071 1.00 0.00 C ATOM 210 C VAL A 17 -12.281 -4.597 -25.717 1.00 0.00 C ATOM 211 O VAL A 17 -13.376 -4.926 -26.174 1.00 0.00 O ATOM 212 CB VAL A 17 -10.719 -3.433 -27.277 1.00 0.00 C ATOM 213 CG1 VAL A 17 -11.501 -3.885 -28.501 1.00 0.00 C ATOM 214 CG2 VAL A 17 -9.963 -2.144 -27.563 1.00 0.00 C ATOM 0 H VAL A 17 -9.954 -2.544 -25.076 1.00 0.00 H new ATOM 0 HA VAL A 17 -12.449 -2.549 -26.338 1.00 0.00 H new ATOM 0 HB VAL A 17 -9.992 -4.208 -27.034 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -10.820 -4.008 -29.343 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -11.991 -4.835 -28.289 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -12.253 -3.136 -28.749 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -9.304 -2.291 -28.418 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -10.673 -1.347 -27.785 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -9.370 -1.869 -26.691 1.00 0.00 H new ATOM 224 N ASP A 18 -11.575 -5.372 -24.900 1.00 0.00 N ATOM 225 CA ASP A 18 -12.058 -6.683 -24.483 1.00 0.00 C ATOM 226 C ASP A 18 -13.245 -6.548 -23.534 1.00 0.00 C ATOM 227 O ASP A 18 -14.082 -7.446 -23.439 1.00 0.00 O ATOM 228 CB ASP A 18 -10.936 -7.472 -23.807 1.00 0.00 C ATOM 229 CG ASP A 18 -11.293 -8.932 -23.609 1.00 0.00 C ATOM 230 OD1 ASP A 18 -11.873 -9.532 -24.538 1.00 0.00 O ATOM 231 OD2 ASP A 18 -10.993 -9.475 -22.525 1.00 0.00 O ATOM 0 H ASP A 18 -10.667 -5.115 -24.514 1.00 0.00 H new ATOM 0 HA ASP A 18 -12.386 -7.222 -25.372 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -10.031 -7.401 -24.411 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -10.711 -7.022 -22.840 1.00 0.00 H new ATOM 236 N TRP A 19 -13.311 -5.421 -22.834 1.00 0.00 N ATOM 237 CA TRP A 19 -14.395 -5.169 -21.891 1.00 0.00 C ATOM 238 C TRP A 19 -15.714 -4.953 -22.624 1.00 0.00 C ATOM 239 O TRP A 19 -16.749 -5.489 -22.228 1.00 0.00 O ATOM 240 CB TRP A 19 -14.072 -3.950 -21.025 1.00 0.00 C ATOM 241 CG TRP A 19 -15.202 -3.543 -20.128 1.00 0.00 C ATOM 242 CD1 TRP A 19 -15.742 -4.273 -19.107 1.00 0.00 C ATOM 243 CD2 TRP A 19 -15.931 -2.312 -20.173 1.00 0.00 C ATOM 244 NE1 TRP A 19 -16.762 -3.569 -18.515 1.00 0.00 N ATOM 245 CE2 TRP A 19 -16.898 -2.363 -19.150 1.00 0.00 C ATOM 246 CE3 TRP A 19 -15.860 -1.171 -20.977 1.00 0.00 C ATOM 247 CZ2 TRP A 19 -17.786 -1.317 -18.913 1.00 0.00 C ATOM 248 CZ3 TRP A 19 -16.742 -0.134 -20.740 1.00 0.00 C ATOM 249 CH2 TRP A 19 -17.694 -0.212 -19.715 1.00 0.00 C ATOM 0 H TRP A 19 -12.627 -4.667 -22.902 1.00 0.00 H new ATOM 0 HA TRP A 19 -14.497 -6.044 -21.249 1.00 0.00 H new ATOM 0 HB2 TRP A 19 -13.195 -4.168 -20.416 1.00 0.00 H new ATOM 0 HB3 TRP A 19 -13.811 -3.112 -21.672 1.00 0.00 H new ATOM 0 HD1 TRP A 19 -15.415 -5.258 -18.809 1.00 0.00 H new ATOM 0 HE1 TRP A 19 -17.327 -3.892 -17.730 1.00 0.00 H new ATOM 0 HE3 TRP A 19 -15.129 -1.101 -21.769 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 -18.521 -1.376 -18.124 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 -16.697 0.752 -21.356 1.00 0.00 H new ATOM 0 HH2 TRP A 19 -18.368 0.616 -19.555 1.00 0.00 H new ATOM 260 N MET A 20 -15.670 -4.165 -23.693 1.00 0.00 N ATOM 261 CA MET A 20 -16.863 -3.880 -24.481 1.00 0.00 C ATOM 262 C MET A 20 -17.412 -5.153 -25.117 1.00 0.00 C ATOM 263 O MET A 20 -18.593 -5.231 -25.457 1.00 0.00 O ATOM 264 CB MET A 20 -16.549 -2.848 -25.566 1.00 0.00 C ATOM 265 CG MET A 20 -15.969 -1.552 -25.023 1.00 0.00 C ATOM 266 SD MET A 20 -17.209 -0.255 -24.850 1.00 0.00 S ATOM 267 CE MET A 20 -17.622 0.050 -26.566 1.00 0.00 C ATOM 0 H MET A 20 -14.821 -3.713 -24.033 1.00 0.00 H new ATOM 0 HA MET A 20 -17.621 -3.474 -23.812 1.00 0.00 H new ATOM 0 HB2 MET A 20 -15.845 -3.282 -26.276 1.00 0.00 H new ATOM 0 HB3 MET A 20 -17.462 -2.625 -26.118 1.00 0.00 H new ATOM 0 HG2 MET A 20 -15.510 -1.742 -24.053 1.00 0.00 H new ATOM 0 HG3 MET A 20 -15.177 -1.206 -25.688 1.00 0.00 H new ATOM 0 HE1 MET A 20 -18.705 0.117 -26.673 1.00 0.00 H new ATOM 0 HE2 MET A 20 -17.167 0.986 -26.889 1.00 0.00 H new ATOM 0 HE3 MET A 20 -17.246 -0.767 -27.182 1.00 0.00 H new ATOM 277 N LYS A 21 -16.548 -6.150 -25.276 1.00 0.00 N ATOM 278 CA LYS A 21 -16.945 -7.421 -25.870 1.00 0.00 C ATOM 279 C LYS A 21 -17.922 -8.163 -24.964 1.00 0.00 C ATOM 280 O LYS A 21 -18.562 -9.127 -25.382 1.00 0.00 O ATOM 281 CB LYS A 21 -15.714 -8.291 -26.133 1.00 0.00 C ATOM 282 CG LYS A 21 -14.755 -7.698 -27.151 1.00 0.00 C ATOM 283 CD LYS A 21 -14.027 -8.781 -27.929 1.00 0.00 C ATOM 284 CE LYS A 21 -12.895 -8.202 -28.764 1.00 0.00 C ATOM 285 NZ LYS A 21 -11.837 -9.213 -29.040 1.00 0.00 N ATOM 0 H LYS A 21 -15.567 -6.102 -25.001 1.00 0.00 H new ATOM 0 HA LYS A 21 -17.443 -7.212 -26.817 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -15.183 -8.447 -25.194 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -16.040 -9.271 -26.482 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -15.306 -7.060 -27.842 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -14.029 -7.064 -26.642 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -13.628 -9.522 -27.236 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -14.732 -9.300 -28.579 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -13.294 -7.827 -29.707 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -12.457 -7.351 -28.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -11.084 -8.780 -29.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -11.438 -9.553 -28.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -12.249 -10.014 -29.560 1.00 0.00 H new ATOM 299 N GLY A 22 -18.032 -7.707 -23.720 1.00 0.00 N ATOM 300 CA GLY A 22 -18.934 -8.339 -22.775 1.00 0.00 C ATOM 301 C GLY A 22 -20.049 -7.414 -22.329 1.00 0.00 C ATOM 302 O GLY A 22 -20.642 -7.611 -21.268 1.00 0.00 O ATOM 0 H GLY A 22 -17.512 -6.911 -23.350 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -19.366 -9.230 -23.230 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -18.369 -8.668 -21.903 1.00 0.00 H new ATOM 306 N LEU A 23 -20.333 -6.401 -23.140 1.00 0.00 N ATOM 307 CA LEU A 23 -21.384 -5.439 -22.822 1.00 0.00 C ATOM 308 C LEU A 23 -22.540 -5.551 -23.811 1.00 0.00 C ATOM 309 O LEU A 23 -22.600 -6.486 -24.609 1.00 0.00 O ATOM 310 CB LEU A 23 -20.822 -4.017 -22.836 1.00 0.00 C ATOM 311 CG LEU A 23 -19.552 -3.789 -22.015 1.00 0.00 C ATOM 312 CD1 LEU A 23 -19.143 -2.325 -22.059 1.00 0.00 C ATOM 313 CD2 LEU A 23 -19.757 -4.244 -20.577 1.00 0.00 C ATOM 0 H LEU A 23 -19.851 -6.224 -24.022 1.00 0.00 H new ATOM 0 HA LEU A 23 -21.760 -5.664 -21.824 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -20.617 -3.739 -23.870 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -21.593 -3.339 -22.471 1.00 0.00 H new ATOM 0 HG LEU A 23 -18.749 -4.383 -22.452 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -18.238 -2.182 -21.469 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -18.954 -2.031 -23.091 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -19.944 -1.711 -21.648 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -18.843 -4.074 -20.008 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -20.574 -3.678 -20.129 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -20.001 -5.306 -20.563 1.00 0.00 H new ATOM 325 N ASP A 24 -23.456 -4.590 -23.752 1.00 0.00 N ATOM 326 CA ASP A 24 -24.610 -4.578 -24.644 1.00 0.00 C ATOM 327 C ASP A 24 -24.173 -4.719 -26.099 1.00 0.00 C ATOM 328 O ASP A 24 -23.085 -4.283 -26.476 1.00 0.00 O ATOM 329 CB ASP A 24 -25.409 -3.287 -24.461 1.00 0.00 C ATOM 330 CG ASP A 24 -26.892 -3.546 -24.276 1.00 0.00 C ATOM 331 OD1 ASP A 24 -27.597 -3.713 -25.293 1.00 0.00 O ATOM 332 OD2 ASP A 24 -27.347 -3.581 -23.114 1.00 0.00 O ATOM 0 H ASP A 24 -23.422 -3.810 -23.096 1.00 0.00 H new ATOM 0 HA ASP A 24 -25.244 -5.427 -24.390 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -25.027 -2.746 -23.595 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -25.261 -2.645 -25.329 1.00 0.00 H new ATOM 337 N ASP A 25 -25.028 -5.330 -26.911 1.00 0.00 N ATOM 338 CA ASP A 25 -24.730 -5.529 -28.325 1.00 0.00 C ATOM 339 C ASP A 25 -24.668 -4.193 -29.060 1.00 0.00 C ATOM 340 O ASP A 25 -23.939 -4.048 -30.043 1.00 0.00 O ATOM 341 CB ASP A 25 -25.786 -6.430 -28.969 1.00 0.00 C ATOM 342 CG ASP A 25 -25.270 -7.832 -29.227 1.00 0.00 C ATOM 343 OD1 ASP A 25 -24.251 -7.968 -29.937 1.00 0.00 O ATOM 344 OD2 ASP A 25 -25.885 -8.793 -28.719 1.00 0.00 O ATOM 0 H ASP A 25 -25.933 -5.696 -26.615 1.00 0.00 H new ATOM 0 HA ASP A 25 -23.756 -6.012 -28.401 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -26.660 -6.481 -28.320 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -26.113 -5.987 -29.910 1.00 0.00 H new ATOM 349 N CYS A 26 -25.435 -3.222 -28.578 1.00 0.00 N ATOM 350 CA CYS A 26 -25.468 -1.899 -29.190 1.00 0.00 C ATOM 351 C CYS A 26 -24.135 -1.181 -29.006 1.00 0.00 C ATOM 352 O CYS A 26 -23.799 -0.269 -29.762 1.00 0.00 O ATOM 353 CB CYS A 26 -26.599 -1.063 -28.587 1.00 0.00 C ATOM 354 SG CYS A 26 -26.316 -0.568 -26.871 1.00 0.00 S ATOM 0 H CYS A 26 -26.042 -3.326 -27.765 1.00 0.00 H new ATOM 0 HA CYS A 26 -25.648 -2.024 -30.258 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -26.739 -0.168 -29.194 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -27.527 -1.633 -28.641 1.00 0.00 H new ATOM 0 HG CYS A 26 -25.911 0.667 -26.837 1.00 0.00 H new ATOM 360 N LEU A 27 -23.380 -1.597 -27.995 1.00 0.00 N ATOM 361 CA LEU A 27 -22.083 -0.993 -27.710 1.00 0.00 C ATOM 362 C LEU A 27 -20.957 -1.784 -28.368 1.00 0.00 C ATOM 363 O LEU A 27 -19.803 -1.703 -27.950 1.00 0.00 O ATOM 364 CB LEU A 27 -21.854 -0.920 -26.199 1.00 0.00 C ATOM 365 CG LEU A 27 -23.063 -0.511 -25.356 1.00 0.00 C ATOM 366 CD1 LEU A 27 -22.747 -0.639 -23.874 1.00 0.00 C ATOM 367 CD2 LEU A 27 -23.491 0.910 -25.692 1.00 0.00 C ATOM 0 H LEU A 27 -23.643 -2.350 -27.359 1.00 0.00 H new ATOM 0 HA LEU A 27 -22.082 0.016 -28.122 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -21.511 -1.896 -25.856 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -21.047 -0.213 -26.008 1.00 0.00 H new ATOM 0 HG LEU A 27 -23.889 -1.182 -25.590 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -23.618 -0.344 -23.289 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -22.490 -1.673 -23.645 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -21.906 0.008 -23.624 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -24.352 1.184 -25.083 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -22.669 1.596 -25.487 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -23.759 0.969 -26.747 1.00 0.00 H new ATOM 379 N GLN A 28 -21.302 -2.546 -29.401 1.00 0.00 N ATOM 380 CA GLN A 28 -20.319 -3.350 -30.119 1.00 0.00 C ATOM 381 C GLN A 28 -19.747 -2.580 -31.305 1.00 0.00 C ATOM 382 O GLN A 28 -18.535 -2.556 -31.513 1.00 0.00 O ATOM 383 CB GLN A 28 -20.952 -4.656 -30.601 1.00 0.00 C ATOM 384 CG GLN A 28 -21.446 -5.546 -29.472 1.00 0.00 C ATOM 385 CD GLN A 28 -20.318 -6.075 -28.608 1.00 0.00 C ATOM 386 OE1 GLN A 28 -19.302 -6.549 -29.117 1.00 0.00 O ATOM 387 NE2 GLN A 28 -20.490 -5.995 -27.294 1.00 0.00 N ATOM 0 H GLN A 28 -22.254 -2.624 -29.759 1.00 0.00 H new ATOM 0 HA GLN A 28 -19.504 -3.581 -29.433 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -21.788 -4.423 -31.261 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -20.222 -5.207 -31.194 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -22.142 -4.984 -28.850 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -22.001 -6.385 -29.892 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -21.348 -5.595 -26.915 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -19.764 -6.334 -26.663 1.00 0.00 H new ATOM 396 N GLN A 29 -20.629 -1.954 -32.078 1.00 0.00 N ATOM 397 CA GLN A 29 -20.210 -1.184 -33.243 1.00 0.00 C ATOM 398 C GLN A 29 -19.196 -0.114 -32.854 1.00 0.00 C ATOM 399 O GLN A 29 -18.381 0.310 -33.673 1.00 0.00 O ATOM 400 CB GLN A 29 -21.422 -0.535 -33.914 1.00 0.00 C ATOM 401 CG GLN A 29 -22.133 0.480 -33.035 1.00 0.00 C ATOM 402 CD GLN A 29 -23.643 0.361 -33.109 1.00 0.00 C ATOM 403 OE1 GLN A 29 -24.313 1.189 -33.727 1.00 0.00 O ATOM 404 NE2 GLN A 29 -24.187 -0.673 -32.477 1.00 0.00 N ATOM 0 H GLN A 29 -21.636 -1.965 -31.919 1.00 0.00 H new ATOM 0 HA GLN A 29 -19.736 -1.868 -33.947 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -21.099 -0.045 -34.832 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -22.129 -1.314 -34.200 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -21.812 0.348 -32.002 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -21.837 1.485 -33.335 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -23.593 -1.335 -31.977 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -25.198 -0.805 -32.492 1.00 0.00 H new ATOM 413 N TYR A 30 -19.253 0.319 -31.599 1.00 0.00 N ATOM 414 CA TYR A 30 -18.341 1.342 -31.102 1.00 0.00 C ATOM 415 C TYR A 30 -16.956 0.758 -30.844 1.00 0.00 C ATOM 416 O TYR A 30 -15.953 1.472 -30.882 1.00 0.00 O ATOM 417 CB TYR A 30 -18.892 1.965 -29.818 1.00 0.00 C ATOM 418 CG TYR A 30 -20.291 2.520 -29.965 1.00 0.00 C ATOM 419 CD1 TYR A 30 -20.655 3.250 -31.090 1.00 0.00 C ATOM 420 CD2 TYR A 30 -21.249 2.312 -28.980 1.00 0.00 C ATOM 421 CE1 TYR A 30 -21.932 3.759 -31.228 1.00 0.00 C ATOM 422 CE2 TYR A 30 -22.529 2.816 -29.111 1.00 0.00 C ATOM 423 CZ TYR A 30 -22.865 3.539 -30.236 1.00 0.00 C ATOM 424 OH TYR A 30 -24.139 4.043 -30.371 1.00 0.00 O ATOM 0 H TYR A 30 -19.921 -0.023 -30.908 1.00 0.00 H new ATOM 0 HA TYR A 30 -18.252 2.116 -31.865 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -18.890 1.213 -29.029 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -18.225 2.765 -29.497 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -19.928 3.422 -31.869 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -20.989 1.747 -28.097 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -22.198 4.326 -32.108 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -23.262 2.645 -28.337 1.00 0.00 H new ATOM 0 HH TYR A 30 -24.736 3.598 -29.734 1.00 0.00 H new ATOM 434 N ILE A 31 -16.909 -0.543 -30.581 1.00 0.00 N ATOM 435 CA ILE A 31 -15.648 -1.224 -30.319 1.00 0.00 C ATOM 436 C ILE A 31 -14.628 -0.936 -31.416 1.00 0.00 C ATOM 437 O ILE A 31 -13.469 -0.631 -31.137 1.00 0.00 O ATOM 438 CB ILE A 31 -15.844 -2.748 -30.202 1.00 0.00 C ATOM 439 CG1 ILE A 31 -16.863 -3.071 -29.109 1.00 0.00 C ATOM 440 CG2 ILE A 31 -14.516 -3.432 -29.915 1.00 0.00 C ATOM 441 CD1 ILE A 31 -17.151 -4.549 -28.968 1.00 0.00 C ATOM 0 H ILE A 31 -17.730 -1.147 -30.544 1.00 0.00 H new ATOM 0 HA ILE A 31 -15.274 -0.840 -29.370 1.00 0.00 H new ATOM 0 HB ILE A 31 -16.227 -3.124 -31.151 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -16.496 -2.688 -28.157 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -17.794 -2.547 -29.325 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -14.671 -4.508 -29.835 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -13.817 -3.225 -30.726 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -14.107 -3.054 -28.978 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -17.882 -4.703 -28.174 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -17.549 -4.933 -29.907 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -16.230 -5.077 -28.721 1.00 0.00 H new ATOM 453 N LYS A 32 -15.069 -1.034 -32.665 1.00 0.00 N ATOM 454 CA LYS A 32 -14.198 -0.781 -33.807 1.00 0.00 C ATOM 455 C LYS A 32 -13.555 0.599 -33.705 1.00 0.00 C ATOM 456 O LYS A 32 -12.463 0.824 -34.224 1.00 0.00 O ATOM 457 CB LYS A 32 -14.988 -0.892 -35.112 1.00 0.00 C ATOM 458 CG LYS A 32 -15.644 -2.247 -35.313 1.00 0.00 C ATOM 459 CD LYS A 32 -14.636 -3.296 -35.749 1.00 0.00 C ATOM 460 CE LYS A 32 -15.093 -4.698 -35.376 1.00 0.00 C ATOM 461 NZ LYS A 32 -13.950 -5.572 -34.993 1.00 0.00 N ATOM 0 H LYS A 32 -16.026 -1.287 -32.913 1.00 0.00 H new ATOM 0 HA LYS A 32 -13.408 -1.532 -33.803 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -15.757 -0.120 -35.128 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -14.319 -0.694 -35.950 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -16.120 -2.563 -34.385 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -16.431 -2.164 -36.063 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -14.489 -3.235 -36.827 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -13.672 -3.091 -35.284 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -15.800 -4.641 -34.548 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -15.624 -5.143 -36.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -14.304 -6.518 -34.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -13.288 -5.648 -35.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -13.459 -5.162 -34.173 1.00 0.00 H new ATOM 475 N ASN A 33 -14.240 1.518 -33.032 1.00 0.00 N ATOM 476 CA ASN A 33 -13.734 2.875 -32.862 1.00 0.00 C ATOM 477 C ASN A 33 -12.836 2.971 -31.632 1.00 0.00 C ATOM 478 O ASN A 33 -11.932 3.804 -31.573 1.00 0.00 O ATOM 479 CB ASN A 33 -14.896 3.862 -32.737 1.00 0.00 C ATOM 480 CG ASN A 33 -15.549 4.159 -34.073 1.00 0.00 C ATOM 481 OD1 ASN A 33 -14.919 4.040 -35.124 1.00 0.00 O ATOM 482 ND2 ASN A 33 -16.818 4.549 -34.038 1.00 0.00 N ATOM 0 H ASN A 33 -15.146 1.348 -32.596 1.00 0.00 H new ATOM 0 HA ASN A 33 -13.143 3.129 -33.742 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -15.642 3.456 -32.053 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -14.534 4.792 -32.298 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -17.310 4.764 -34.906 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -17.301 4.634 -33.144 1.00 0.00 H new ATOM 489 N PHE A 34 -13.093 2.112 -30.650 1.00 0.00 N ATOM 490 CA PHE A 34 -12.309 2.100 -29.421 1.00 0.00 C ATOM 491 C PHE A 34 -10.936 1.476 -29.658 1.00 0.00 C ATOM 492 O PHE A 34 -9.976 1.778 -28.949 1.00 0.00 O ATOM 493 CB PHE A 34 -13.050 1.330 -28.326 1.00 0.00 C ATOM 494 CG PHE A 34 -13.981 2.186 -27.516 1.00 0.00 C ATOM 495 CD1 PHE A 34 -15.008 2.885 -28.128 1.00 0.00 C ATOM 496 CD2 PHE A 34 -13.829 2.291 -26.143 1.00 0.00 C ATOM 497 CE1 PHE A 34 -15.866 3.674 -27.386 1.00 0.00 C ATOM 498 CE2 PHE A 34 -14.684 3.078 -25.395 1.00 0.00 C ATOM 499 CZ PHE A 34 -15.705 3.770 -26.017 1.00 0.00 C ATOM 0 H PHE A 34 -13.838 1.416 -30.682 1.00 0.00 H new ATOM 0 HA PHE A 34 -12.169 3.132 -29.098 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -13.619 0.521 -28.784 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -12.321 0.870 -27.660 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -15.140 2.813 -29.197 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -13.033 1.751 -25.651 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -16.662 4.215 -27.876 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -14.554 3.152 -24.325 1.00 0.00 H new ATOM 0 HZ PHE A 34 -16.376 4.384 -25.435 1.00 0.00 H new ATOM 509 N GLU A 35 -10.853 0.605 -30.658 1.00 0.00 N ATOM 510 CA GLU A 35 -9.599 -0.063 -30.987 1.00 0.00 C ATOM 511 C GLU A 35 -8.617 0.912 -31.631 1.00 0.00 C ATOM 512 O GLU A 35 -7.430 0.920 -31.304 1.00 0.00 O ATOM 513 CB GLU A 35 -9.855 -1.243 -31.927 1.00 0.00 C ATOM 514 CG GLU A 35 -9.477 -2.588 -31.332 1.00 0.00 C ATOM 515 CD GLU A 35 -7.979 -2.749 -31.157 1.00 0.00 C ATOM 516 OE1 GLU A 35 -7.235 -1.814 -31.518 1.00 0.00 O ATOM 517 OE2 GLU A 35 -7.552 -3.812 -30.659 1.00 0.00 O ATOM 0 H GLU A 35 -11.639 0.345 -31.254 1.00 0.00 H new ATOM 0 HA GLU A 35 -9.161 -0.435 -30.061 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -10.911 -1.259 -32.197 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -9.292 -1.092 -32.848 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -9.966 -2.704 -30.365 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -9.851 -3.384 -31.976 1.00 0.00 H new ATOM 524 N ARG A 36 -9.121 1.730 -32.549 1.00 0.00 N ATOM 525 CA ARG A 36 -8.289 2.707 -33.241 1.00 0.00 C ATOM 526 C ARG A 36 -8.012 3.914 -32.349 1.00 0.00 C ATOM 527 O ARG A 36 -6.948 4.527 -32.431 1.00 0.00 O ATOM 528 CB ARG A 36 -8.967 3.161 -34.535 1.00 0.00 C ATOM 529 CG ARG A 36 -8.005 3.759 -35.549 1.00 0.00 C ATOM 530 CD ARG A 36 -8.557 5.041 -36.151 1.00 0.00 C ATOM 531 NE ARG A 36 -7.856 5.418 -37.375 1.00 0.00 N ATOM 532 CZ ARG A 36 -6.617 5.897 -37.395 1.00 0.00 C ATOM 533 NH1 ARG A 36 -5.947 6.057 -36.262 1.00 0.00 N ATOM 534 NH2 ARG A 36 -6.046 6.217 -38.549 1.00 0.00 N ATOM 0 H ARG A 36 -10.101 1.736 -32.831 1.00 0.00 H new ATOM 0 HA ARG A 36 -7.339 2.231 -33.484 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -9.475 2.309 -34.987 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -9.733 3.898 -34.295 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -7.049 3.964 -35.068 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -7.815 3.036 -36.342 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -9.618 4.913 -36.366 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -8.474 5.848 -35.423 1.00 0.00 H new ATOM 0 HE ARG A 36 -8.344 5.308 -38.264 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -6.383 5.812 -35.373 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -4.996 6.425 -36.280 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -6.558 6.095 -39.423 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -5.095 6.585 -38.563 1.00 0.00 H new ATOM 548 N GLU A 37 -8.978 4.249 -31.499 1.00 0.00 N ATOM 549 CA GLU A 37 -8.838 5.384 -30.593 1.00 0.00 C ATOM 550 C GLU A 37 -7.914 5.039 -29.428 1.00 0.00 C ATOM 551 O GLU A 37 -7.355 5.925 -28.781 1.00 0.00 O ATOM 552 CB GLU A 37 -10.207 5.813 -30.063 1.00 0.00 C ATOM 553 CG GLU A 37 -10.961 6.739 -31.003 1.00 0.00 C ATOM 554 CD GLU A 37 -11.173 8.121 -30.415 1.00 0.00 C ATOM 555 OE1 GLU A 37 -11.815 8.220 -29.349 1.00 0.00 O ATOM 556 OE2 GLU A 37 -10.696 9.103 -31.022 1.00 0.00 O ATOM 0 H GLU A 37 -9.865 3.752 -31.419 1.00 0.00 H new ATOM 0 HA GLU A 37 -8.397 6.210 -31.151 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -10.811 4.924 -29.880 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -10.075 6.312 -29.103 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -10.410 6.827 -31.939 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -11.929 6.298 -31.243 1.00 0.00 H new ATOM 563 N LYS A 38 -7.759 3.746 -29.166 1.00 0.00 N ATOM 564 CA LYS A 38 -6.904 3.282 -28.081 1.00 0.00 C ATOM 565 C LYS A 38 -7.366 3.850 -26.743 1.00 0.00 C ATOM 566 O LYS A 38 -6.551 4.289 -25.930 1.00 0.00 O ATOM 567 CB LYS A 38 -5.450 3.682 -28.342 1.00 0.00 C ATOM 568 CG LYS A 38 -4.867 3.066 -29.602 1.00 0.00 C ATOM 569 CD LYS A 38 -3.783 2.053 -29.277 1.00 0.00 C ATOM 570 CE LYS A 38 -2.811 1.885 -30.435 1.00 0.00 C ATOM 571 NZ LYS A 38 -1.400 1.792 -29.966 1.00 0.00 N ATOM 0 H LYS A 38 -8.215 3.000 -29.691 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.973 2.195 -28.038 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -5.388 4.768 -28.416 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -4.841 3.386 -27.488 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -5.660 2.582 -30.172 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -4.454 3.852 -30.235 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -3.239 2.373 -28.388 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -4.240 1.092 -29.042 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -3.067 0.987 -30.997 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -2.912 2.728 -31.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -0.769 1.678 -30.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -1.147 2.660 -29.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -1.298 0.973 -29.334 1.00 0.00 H new ATOM 585 N ILE A 39 -8.676 3.837 -26.520 1.00 0.00 N ATOM 586 CA ILE A 39 -9.244 4.350 -25.280 1.00 0.00 C ATOM 587 C ILE A 39 -8.622 3.667 -24.067 1.00 0.00 C ATOM 588 O ILE A 39 -8.870 2.489 -23.809 1.00 0.00 O ATOM 589 CB ILE A 39 -10.771 4.154 -25.237 1.00 0.00 C ATOM 590 CG1 ILE A 39 -11.431 4.855 -26.426 1.00 0.00 C ATOM 591 CG2 ILE A 39 -11.336 4.678 -23.926 1.00 0.00 C ATOM 592 CD1 ILE A 39 -11.142 6.339 -26.488 1.00 0.00 C ATOM 0 H ILE A 39 -9.363 3.477 -27.182 1.00 0.00 H new ATOM 0 HA ILE A 39 -9.021 5.417 -25.248 1.00 0.00 H new ATOM 0 HB ILE A 39 -10.987 3.088 -25.302 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -11.089 4.387 -27.349 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -12.509 4.705 -26.373 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -12.416 4.532 -23.911 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -10.885 4.137 -23.094 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -11.112 5.741 -23.832 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -11.641 6.771 -27.355 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -11.509 6.819 -25.581 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -10.067 6.497 -26.572 1.00 0.00 H new ATOM 604 N SER A 40 -7.812 4.416 -23.324 1.00 0.00 N ATOM 605 CA SER A 40 -7.152 3.883 -22.138 1.00 0.00 C ATOM 606 C SER A 40 -8.087 3.919 -20.933 1.00 0.00 C ATOM 607 O SER A 40 -9.035 4.701 -20.892 1.00 0.00 O ATOM 608 CB SER A 40 -5.881 4.678 -21.835 1.00 0.00 C ATOM 609 OG SER A 40 -5.996 6.016 -22.291 1.00 0.00 O ATOM 0 H SER A 40 -7.598 5.393 -23.523 1.00 0.00 H new ATOM 0 HA SER A 40 -6.884 2.845 -22.337 1.00 0.00 H new ATOM 0 HB2 SER A 40 -5.691 4.671 -20.762 1.00 0.00 H new ATOM 0 HB3 SER A 40 -5.026 4.200 -22.313 1.00 0.00 H new ATOM 0 HG SER A 40 -5.172 6.504 -22.084 1.00 0.00 H new ATOM 615 N GLY A 41 -7.812 3.064 -19.953 1.00 0.00 N ATOM 616 CA GLY A 41 -8.637 3.013 -18.760 1.00 0.00 C ATOM 617 C GLY A 41 -8.788 4.369 -18.101 1.00 0.00 C ATOM 618 O GLY A 41 -9.885 4.750 -17.693 1.00 0.00 O ATOM 0 H GLY A 41 -7.033 2.406 -19.964 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -9.623 2.627 -19.020 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -8.198 2.314 -18.048 1.00 0.00 H new ATOM 622 N ASP A 42 -7.684 5.100 -17.995 1.00 0.00 N ATOM 623 CA ASP A 42 -7.698 6.422 -17.380 1.00 0.00 C ATOM 624 C ASP A 42 -8.775 7.302 -18.007 1.00 0.00 C ATOM 625 O ASP A 42 -9.331 8.181 -17.350 1.00 0.00 O ATOM 626 CB ASP A 42 -6.329 7.089 -17.523 1.00 0.00 C ATOM 627 CG ASP A 42 -6.239 8.396 -16.761 1.00 0.00 C ATOM 628 OD1 ASP A 42 -6.053 8.351 -15.527 1.00 0.00 O ATOM 629 OD2 ASP A 42 -6.357 9.465 -17.397 1.00 0.00 O ATOM 0 H ASP A 42 -6.768 4.799 -18.327 1.00 0.00 H new ATOM 0 HA ASP A 42 -7.925 6.301 -16.321 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -5.557 6.408 -17.163 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -6.126 7.272 -18.578 1.00 0.00 H new ATOM 634 N GLN A 43 -9.061 7.059 -19.282 1.00 0.00 N ATOM 635 CA GLN A 43 -10.070 7.831 -19.998 1.00 0.00 C ATOM 636 C GLN A 43 -11.445 7.185 -19.866 1.00 0.00 C ATOM 637 O GLN A 43 -12.471 7.861 -19.949 1.00 0.00 O ATOM 638 CB GLN A 43 -9.693 7.957 -21.475 1.00 0.00 C ATOM 639 CG GLN A 43 -8.504 8.871 -21.724 1.00 0.00 C ATOM 640 CD GLN A 43 -8.209 9.058 -23.199 1.00 0.00 C ATOM 641 OE1 GLN A 43 -7.245 8.503 -23.726 1.00 0.00 O ATOM 642 NE2 GLN A 43 -9.042 9.842 -23.874 1.00 0.00 N ATOM 0 H GLN A 43 -8.609 6.335 -19.840 1.00 0.00 H new ATOM 0 HA GLN A 43 -10.112 8.826 -19.555 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -9.468 6.966 -21.870 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -10.552 8.333 -22.030 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -8.697 9.843 -21.270 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -7.624 8.458 -21.231 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -9.828 10.282 -23.396 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -8.895 10.004 -24.870 1.00 0.00 H new ATOM 651 N LEU A 44 -11.459 5.872 -19.660 1.00 0.00 N ATOM 652 CA LEU A 44 -12.709 5.134 -19.516 1.00 0.00 C ATOM 653 C LEU A 44 -13.371 5.439 -18.176 1.00 0.00 C ATOM 654 O LEU A 44 -14.585 5.631 -18.100 1.00 0.00 O ATOM 655 CB LEU A 44 -12.454 3.631 -19.642 1.00 0.00 C ATOM 656 CG LEU A 44 -13.685 2.730 -19.539 1.00 0.00 C ATOM 657 CD1 LEU A 44 -14.484 2.769 -20.833 1.00 0.00 C ATOM 658 CD2 LEU A 44 -13.275 1.303 -19.206 1.00 0.00 C ATOM 0 H LEU A 44 -10.619 5.297 -19.589 1.00 0.00 H new ATOM 0 HA LEU A 44 -13.383 5.450 -20.313 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -11.971 3.444 -20.601 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -11.747 3.336 -18.866 1.00 0.00 H new ATOM 0 HG LEU A 44 -14.318 3.102 -18.733 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -15.356 2.122 -20.742 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -14.809 3.791 -21.029 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -13.860 2.422 -21.657 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -14.164 0.676 -19.137 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -12.621 0.920 -19.989 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -12.746 1.289 -18.253 1.00 0.00 H new ATOM 670 N LEU A 45 -12.565 5.484 -17.121 1.00 0.00 N ATOM 671 CA LEU A 45 -13.071 5.768 -15.783 1.00 0.00 C ATOM 672 C LEU A 45 -13.654 7.176 -15.709 1.00 0.00 C ATOM 673 O LEU A 45 -14.645 7.412 -15.017 1.00 0.00 O ATOM 674 CB LEU A 45 -11.954 5.611 -14.749 1.00 0.00 C ATOM 675 CG LEU A 45 -11.585 4.176 -14.373 1.00 0.00 C ATOM 676 CD1 LEU A 45 -10.104 4.075 -14.043 1.00 0.00 C ATOM 677 CD2 LEU A 45 -12.428 3.699 -13.199 1.00 0.00 C ATOM 0 H LEU A 45 -11.558 5.327 -17.166 1.00 0.00 H new ATOM 0 HA LEU A 45 -13.864 5.054 -15.562 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -11.061 6.107 -15.130 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -12.249 6.139 -13.842 1.00 0.00 H new ATOM 0 HG LEU A 45 -11.791 3.532 -15.228 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -9.860 3.046 -13.778 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -9.517 4.375 -14.911 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -9.873 4.731 -13.204 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -12.152 2.676 -12.945 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -12.254 4.346 -12.339 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -13.483 3.733 -13.471 1.00 0.00 H new ATOM 689 N ARG A 46 -13.035 8.106 -16.428 1.00 0.00 N ATOM 690 CA ARG A 46 -13.493 9.490 -16.444 1.00 0.00 C ATOM 691 C ARG A 46 -14.154 9.828 -17.778 1.00 0.00 C ATOM 692 O ARG A 46 -14.149 10.981 -18.209 1.00 0.00 O ATOM 693 CB ARG A 46 -12.322 10.440 -16.188 1.00 0.00 C ATOM 694 CG ARG A 46 -11.301 10.466 -17.314 1.00 0.00 C ATOM 695 CD ARG A 46 -11.225 11.838 -17.966 1.00 0.00 C ATOM 696 NE ARG A 46 -10.115 12.630 -17.446 1.00 0.00 N ATOM 697 CZ ARG A 46 -10.031 13.950 -17.572 1.00 0.00 C ATOM 698 NH1 ARG A 46 -10.988 14.621 -18.198 1.00 0.00 N ATOM 699 NH2 ARG A 46 -8.989 14.601 -17.072 1.00 0.00 N ATOM 0 H ARG A 46 -12.215 7.926 -17.007 1.00 0.00 H new ATOM 0 HA ARG A 46 -14.231 9.612 -15.651 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -12.709 11.448 -16.037 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -11.824 10.148 -15.264 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -10.321 10.193 -16.924 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -11.565 9.720 -18.063 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -11.113 11.721 -19.044 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -12.161 12.371 -17.798 1.00 0.00 H new ATOM 0 HE ARG A 46 -9.362 12.143 -16.959 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -11.791 14.124 -18.584 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -10.922 15.634 -18.294 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -8.251 14.088 -16.590 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -8.926 15.614 -17.170 1.00 0.00 H new ATOM 713 N ILE A 47 -14.721 8.815 -18.424 1.00 0.00 N ATOM 714 CA ILE A 47 -15.386 9.005 -19.708 1.00 0.00 C ATOM 715 C ILE A 47 -16.637 9.863 -19.556 1.00 0.00 C ATOM 716 O ILE A 47 -17.457 9.634 -18.666 1.00 0.00 O ATOM 717 CB ILE A 47 -15.774 7.658 -20.346 1.00 0.00 C ATOM 718 CG1 ILE A 47 -16.337 7.879 -21.751 1.00 0.00 C ATOM 719 CG2 ILE A 47 -16.785 6.930 -19.472 1.00 0.00 C ATOM 720 CD1 ILE A 47 -15.551 7.174 -22.834 1.00 0.00 C ATOM 0 H ILE A 47 -14.734 7.855 -18.080 1.00 0.00 H new ATOM 0 HA ILE A 47 -14.676 9.514 -20.360 1.00 0.00 H new ATOM 0 HB ILE A 47 -14.880 7.039 -20.426 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -17.370 7.532 -21.779 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -16.354 8.948 -21.963 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -17.050 5.980 -19.936 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -16.351 6.746 -18.490 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -17.680 7.543 -19.364 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -16.007 7.375 -23.804 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -14.524 7.538 -22.834 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -15.555 6.100 -22.646 1.00 0.00 H new ATOM 732 N THR A 48 -16.780 10.852 -20.433 1.00 0.00 N ATOM 733 CA THR A 48 -17.932 11.744 -20.399 1.00 0.00 C ATOM 734 C THR A 48 -18.642 11.778 -21.747 1.00 0.00 C ATOM 735 O THR A 48 -18.124 11.276 -22.745 1.00 0.00 O ATOM 736 CB THR A 48 -17.521 13.177 -20.011 1.00 0.00 C ATOM 737 OG1 THR A 48 -18.687 13.984 -19.811 1.00 0.00 O ATOM 738 CG2 THR A 48 -16.647 13.800 -21.090 1.00 0.00 C ATOM 0 H THR A 48 -16.111 11.055 -21.176 1.00 0.00 H new ATOM 0 HA THR A 48 -18.613 11.352 -19.644 1.00 0.00 H new ATOM 0 HB THR A 48 -16.949 13.129 -19.084 1.00 0.00 H new ATOM 0 HG1 THR A 48 -18.417 14.893 -19.563 1.00 0.00 H new ATOM 0 HG21 THR A 48 -16.369 14.812 -20.794 1.00 0.00 H new ATOM 0 HG22 THR A 48 -15.747 13.200 -21.220 1.00 0.00 H new ATOM 0 HG23 THR A 48 -17.199 13.835 -22.030 1.00 0.00 H new ATOM 746 N HIS A 49 -19.830 12.374 -21.770 1.00 0.00 N ATOM 747 CA HIS A 49 -20.611 12.474 -22.998 1.00 0.00 C ATOM 748 C HIS A 49 -19.784 13.098 -24.118 1.00 0.00 C ATOM 749 O HIS A 49 -19.939 12.745 -25.287 1.00 0.00 O ATOM 750 CB HIS A 49 -21.874 13.303 -22.758 1.00 0.00 C ATOM 751 CG HIS A 49 -22.986 12.528 -22.121 1.00 0.00 C ATOM 752 ND1 HIS A 49 -23.558 12.883 -20.918 1.00 0.00 N ATOM 753 CD2 HIS A 49 -23.634 11.411 -22.529 1.00 0.00 C ATOM 754 CE1 HIS A 49 -24.508 12.018 -20.612 1.00 0.00 C ATOM 755 NE2 HIS A 49 -24.574 11.115 -21.573 1.00 0.00 N ATOM 0 H HIS A 49 -20.273 12.795 -20.953 1.00 0.00 H new ATOM 0 HA HIS A 49 -20.898 11.467 -23.300 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -21.625 14.154 -22.124 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -22.221 13.705 -23.710 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -23.446 10.857 -23.437 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -25.126 12.045 -19.726 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -25.219 10.325 -21.601 1.00 0.00 H new ATOM 763 N GLN A 50 -18.907 14.028 -23.753 1.00 0.00 N ATOM 764 CA GLN A 50 -18.058 14.702 -24.728 1.00 0.00 C ATOM 765 C GLN A 50 -17.076 13.722 -25.363 1.00 0.00 C ATOM 766 O GLN A 50 -16.767 13.822 -26.550 1.00 0.00 O ATOM 767 CB GLN A 50 -17.295 15.849 -24.064 1.00 0.00 C ATOM 768 CG GLN A 50 -17.389 17.162 -24.824 1.00 0.00 C ATOM 769 CD GLN A 50 -18.821 17.595 -25.066 1.00 0.00 C ATOM 770 OE1 GLN A 50 -19.744 17.131 -24.396 1.00 0.00 O ATOM 771 NE2 GLN A 50 -19.015 18.490 -26.028 1.00 0.00 N ATOM 0 H GLN A 50 -18.766 14.332 -22.789 1.00 0.00 H new ATOM 0 HA GLN A 50 -18.698 15.107 -25.512 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -17.680 15.994 -23.055 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -16.246 15.569 -23.967 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -16.868 17.939 -24.265 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -16.877 17.061 -25.781 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -18.221 18.848 -26.559 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -19.958 18.819 -26.236 1.00 0.00 H new ATOM 780 N GLU A 51 -16.589 12.778 -24.564 1.00 0.00 N ATOM 781 CA GLU A 51 -15.641 11.782 -25.049 1.00 0.00 C ATOM 782 C GLU A 51 -16.333 10.768 -25.956 1.00 0.00 C ATOM 783 O GLU A 51 -15.895 10.523 -27.080 1.00 0.00 O ATOM 784 CB GLU A 51 -14.978 11.061 -23.873 1.00 0.00 C ATOM 785 CG GLU A 51 -14.130 11.972 -23.002 1.00 0.00 C ATOM 786 CD GLU A 51 -12.650 11.866 -23.314 1.00 0.00 C ATOM 787 OE1 GLU A 51 -12.223 12.409 -24.355 1.00 0.00 O ATOM 788 OE2 GLU A 51 -11.918 11.241 -22.518 1.00 0.00 O ATOM 0 H GLU A 51 -16.835 12.682 -23.579 1.00 0.00 H new ATOM 0 HA GLU A 51 -14.875 12.299 -25.628 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -15.751 10.600 -23.258 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -14.353 10.255 -24.257 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -14.453 13.004 -23.139 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -14.295 11.723 -21.954 1.00 0.00 H new ATOM 795 N LEU A 52 -17.417 10.182 -25.459 1.00 0.00 N ATOM 796 CA LEU A 52 -18.171 9.194 -26.223 1.00 0.00 C ATOM 797 C LEU A 52 -18.564 9.747 -27.590 1.00 0.00 C ATOM 798 O LEU A 52 -18.495 9.043 -28.597 1.00 0.00 O ATOM 799 CB LEU A 52 -19.423 8.772 -25.452 1.00 0.00 C ATOM 800 CG LEU A 52 -19.196 7.831 -24.268 1.00 0.00 C ATOM 801 CD1 LEU A 52 -20.396 7.850 -23.334 1.00 0.00 C ATOM 802 CD2 LEU A 52 -18.921 6.416 -24.756 1.00 0.00 C ATOM 0 H LEU A 52 -17.793 10.374 -24.531 1.00 0.00 H new ATOM 0 HA LEU A 52 -17.533 8.323 -26.373 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -19.920 9.670 -25.086 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -20.109 8.289 -26.148 1.00 0.00 H new ATOM 0 HG LEU A 52 -18.324 8.179 -23.714 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -20.217 7.175 -22.497 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -20.548 8.862 -22.958 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -21.285 7.527 -23.877 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -18.762 5.760 -23.900 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -19.773 6.058 -25.334 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -18.030 6.415 -25.385 1.00 0.00 H new ATOM 814 N GLU A 53 -18.973 11.011 -27.616 1.00 0.00 N ATOM 815 CA GLU A 53 -19.375 11.658 -28.859 1.00 0.00 C ATOM 816 C GLU A 53 -18.244 11.619 -29.883 1.00 0.00 C ATOM 817 O GLU A 53 -18.477 11.414 -31.074 1.00 0.00 O ATOM 818 CB GLU A 53 -19.790 13.107 -28.596 1.00 0.00 C ATOM 819 CG GLU A 53 -20.896 13.600 -29.514 1.00 0.00 C ATOM 820 CD GLU A 53 -20.567 14.931 -30.161 1.00 0.00 C ATOM 821 OE1 GLU A 53 -19.577 14.993 -30.920 1.00 0.00 O ATOM 822 OE2 GLU A 53 -21.298 15.911 -29.909 1.00 0.00 O ATOM 0 H GLU A 53 -19.035 11.607 -26.791 1.00 0.00 H new ATOM 0 HA GLU A 53 -20.227 11.112 -29.263 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -20.120 13.199 -27.561 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -18.919 13.752 -28.711 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -21.076 12.857 -30.291 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -21.820 13.696 -28.944 1.00 0.00 H new ATOM 829 N ASP A 54 -17.019 11.820 -29.409 1.00 0.00 N ATOM 830 CA ASP A 54 -15.850 11.807 -30.282 1.00 0.00 C ATOM 831 C ASP A 54 -15.650 10.428 -30.903 1.00 0.00 C ATOM 832 O ASP A 54 -15.204 10.309 -32.045 1.00 0.00 O ATOM 833 CB ASP A 54 -14.600 12.215 -29.501 1.00 0.00 C ATOM 834 CG ASP A 54 -13.441 12.574 -30.410 1.00 0.00 C ATOM 835 OD1 ASP A 54 -12.896 11.661 -31.065 1.00 0.00 O ATOM 836 OD2 ASP A 54 -13.079 13.768 -30.467 1.00 0.00 O ATOM 0 H ASP A 54 -16.810 11.994 -28.426 1.00 0.00 H new ATOM 0 HA ASP A 54 -16.018 12.525 -31.084 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -14.835 13.067 -28.864 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -14.303 11.398 -28.844 1.00 0.00 H new ATOM 841 N LEU A 55 -15.981 9.390 -30.144 1.00 0.00 N ATOM 842 CA LEU A 55 -15.837 8.018 -30.619 1.00 0.00 C ATOM 843 C LEU A 55 -16.883 7.697 -31.681 1.00 0.00 C ATOM 844 O LEU A 55 -16.663 6.853 -32.549 1.00 0.00 O ATOM 845 CB LEU A 55 -15.961 7.037 -29.451 1.00 0.00 C ATOM 846 CG LEU A 55 -14.767 6.973 -28.499 1.00 0.00 C ATOM 847 CD1 LEU A 55 -15.238 6.794 -27.064 1.00 0.00 C ATOM 848 CD2 LEU A 55 -13.826 5.845 -28.898 1.00 0.00 C ATOM 0 H LEU A 55 -16.351 9.472 -29.197 1.00 0.00 H new ATOM 0 HA LEU A 55 -14.848 7.917 -31.067 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -16.847 7.301 -28.873 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -16.131 6.040 -29.857 1.00 0.00 H new ATOM 0 HG LEU A 55 -14.222 7.915 -28.566 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -14.374 6.750 -26.400 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -15.871 7.635 -26.781 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -15.807 5.868 -26.981 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -12.982 5.815 -28.209 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -14.360 4.895 -28.860 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -13.462 6.016 -29.911 1.00 0.00 H new ATOM 860 N GLY A 56 -18.023 8.379 -31.608 1.00 0.00 N ATOM 861 CA GLY A 56 -19.085 8.153 -32.570 1.00 0.00 C ATOM 862 C GLY A 56 -20.436 7.966 -31.908 1.00 0.00 C ATOM 863 O GLY A 56 -21.476 8.116 -32.550 1.00 0.00 O ATOM 0 H GLY A 56 -18.229 9.084 -30.900 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -19.134 8.998 -33.257 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -18.850 7.271 -33.165 1.00 0.00 H new ATOM 867 N VAL A 57 -20.422 7.635 -30.621 1.00 0.00 N ATOM 868 CA VAL A 57 -21.656 7.426 -29.872 1.00 0.00 C ATOM 869 C VAL A 57 -22.480 8.706 -29.803 1.00 0.00 C ATOM 870 O VAL A 57 -22.279 9.540 -28.920 1.00 0.00 O ATOM 871 CB VAL A 57 -21.367 6.936 -28.440 1.00 0.00 C ATOM 872 CG1 VAL A 57 -22.658 6.539 -27.741 1.00 0.00 C ATOM 873 CG2 VAL A 57 -20.384 5.775 -28.463 1.00 0.00 C ATOM 0 H VAL A 57 -19.570 7.506 -30.075 1.00 0.00 H new ATOM 0 HA VAL A 57 -22.223 6.661 -30.402 1.00 0.00 H new ATOM 0 HB VAL A 57 -20.915 7.754 -27.879 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -22.434 6.196 -26.731 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -23.325 7.400 -27.692 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -23.142 5.737 -28.298 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -20.191 5.441 -27.443 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -20.806 4.952 -29.040 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -19.450 6.098 -28.922 1.00 0.00 H new ATOM 883 N SER A 58 -23.411 8.855 -30.740 1.00 0.00 N ATOM 884 CA SER A 58 -24.265 10.036 -30.788 1.00 0.00 C ATOM 885 C SER A 58 -25.551 9.809 -29.998 1.00 0.00 C ATOM 886 O SER A 58 -26.095 10.736 -29.398 1.00 0.00 O ATOM 887 CB SER A 58 -24.600 10.391 -32.238 1.00 0.00 C ATOM 888 OG SER A 58 -25.073 9.257 -32.944 1.00 0.00 O ATOM 0 H SER A 58 -23.593 8.173 -31.476 1.00 0.00 H new ATOM 0 HA SER A 58 -23.722 10.865 -30.335 1.00 0.00 H new ATOM 0 HB2 SER A 58 -25.355 11.177 -32.258 1.00 0.00 H new ATOM 0 HB3 SER A 58 -23.714 10.788 -32.733 1.00 0.00 H new ATOM 0 HG SER A 58 -25.282 9.510 -33.867 1.00 0.00 H new ATOM 894 N ARG A 59 -26.030 8.569 -30.004 1.00 0.00 N ATOM 895 CA ARG A 59 -27.252 8.220 -29.290 1.00 0.00 C ATOM 896 C ARG A 59 -27.137 8.573 -27.810 1.00 0.00 C ATOM 897 O ARG A 59 -26.063 8.938 -27.331 1.00 0.00 O ATOM 898 CB ARG A 59 -27.551 6.727 -29.447 1.00 0.00 C ATOM 899 CG ARG A 59 -28.768 6.438 -30.310 1.00 0.00 C ATOM 900 CD ARG A 59 -28.372 6.127 -31.745 1.00 0.00 C ATOM 901 NE ARG A 59 -29.264 5.148 -32.360 1.00 0.00 N ATOM 902 CZ ARG A 59 -28.979 4.496 -33.481 1.00 0.00 C ATOM 903 NH1 ARG A 59 -27.832 4.718 -34.108 1.00 0.00 N ATOM 904 NH2 ARG A 59 -29.842 3.619 -33.978 1.00 0.00 N ATOM 0 H ARG A 59 -25.591 7.790 -30.495 1.00 0.00 H new ATOM 0 HA ARG A 59 -28.071 8.796 -29.721 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -26.682 6.235 -29.883 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -27.704 6.290 -28.460 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -29.319 5.595 -29.893 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -29.439 7.297 -30.294 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -28.383 7.046 -32.331 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -27.350 5.749 -31.765 1.00 0.00 H new ATOM 0 HE ARG A 59 -30.155 4.954 -31.903 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -27.166 5.391 -33.729 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -27.616 4.216 -34.969 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -30.725 3.445 -33.499 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -29.622 3.119 -34.839 1.00 0.00 H new ATOM 918 N ILE A 60 -28.250 8.463 -27.092 1.00 0.00 N ATOM 919 CA ILE A 60 -28.273 8.770 -25.668 1.00 0.00 C ATOM 920 C ILE A 60 -28.420 7.501 -24.834 1.00 0.00 C ATOM 921 O ILE A 60 -27.806 7.367 -23.776 1.00 0.00 O ATOM 922 CB ILE A 60 -29.421 9.736 -25.319 1.00 0.00 C ATOM 923 CG1 ILE A 60 -29.312 11.014 -26.153 1.00 0.00 C ATOM 924 CG2 ILE A 60 -29.404 10.063 -23.833 1.00 0.00 C ATOM 925 CD1 ILE A 60 -28.038 11.790 -25.906 1.00 0.00 C ATOM 0 H ILE A 60 -29.147 8.164 -27.474 1.00 0.00 H new ATOM 0 HA ILE A 60 -27.322 9.248 -25.433 1.00 0.00 H new ATOM 0 HB ILE A 60 -30.369 9.251 -25.554 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -29.370 10.754 -27.210 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -30.166 11.655 -25.934 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -30.221 10.747 -23.601 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -29.524 9.145 -23.257 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -28.454 10.532 -23.574 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -28.029 12.683 -26.531 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -27.987 12.081 -24.857 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -27.179 11.166 -26.152 1.00 0.00 H new ATOM 937 N GLY A 61 -29.236 6.571 -25.320 1.00 0.00 N ATOM 938 CA GLY A 61 -29.448 5.324 -24.608 1.00 0.00 C ATOM 939 C GLY A 61 -28.203 4.460 -24.572 1.00 0.00 C ATOM 940 O GLY A 61 -28.079 3.574 -23.726 1.00 0.00 O ATOM 0 H GLY A 61 -29.754 6.659 -26.194 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -29.766 5.541 -23.588 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -30.258 4.770 -25.084 1.00 0.00 H new ATOM 944 N HIS A 62 -27.280 4.715 -25.493 1.00 0.00 N ATOM 945 CA HIS A 62 -26.039 3.952 -25.563 1.00 0.00 C ATOM 946 C HIS A 62 -24.948 4.611 -24.725 1.00 0.00 C ATOM 947 O HIS A 62 -24.131 3.928 -24.107 1.00 0.00 O ATOM 948 CB HIS A 62 -25.575 3.824 -27.015 1.00 0.00 C ATOM 949 CG HIS A 62 -26.647 3.348 -27.946 1.00 0.00 C ATOM 950 ND1 HIS A 62 -26.728 3.742 -29.265 1.00 0.00 N ATOM 951 CD2 HIS A 62 -27.686 2.504 -27.743 1.00 0.00 C ATOM 952 CE1 HIS A 62 -27.771 3.162 -29.832 1.00 0.00 C ATOM 953 NE2 HIS A 62 -28.369 2.405 -28.930 1.00 0.00 N ATOM 0 H HIS A 62 -27.368 5.444 -26.201 1.00 0.00 H new ATOM 0 HA HIS A 62 -26.230 2.957 -25.161 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -25.211 4.792 -27.358 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -24.733 3.133 -27.059 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -27.932 2.002 -26.819 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -28.082 3.286 -30.859 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -29.202 1.839 -29.089 1.00 0.00 H new ATOM 961 N GLN A 63 -24.941 5.940 -24.709 1.00 0.00 N ATOM 962 CA GLN A 63 -23.949 6.689 -23.948 1.00 0.00 C ATOM 963 C GLN A 63 -24.057 6.379 -22.458 1.00 0.00 C ATOM 964 O GLN A 63 -23.055 6.360 -21.745 1.00 0.00 O ATOM 965 CB GLN A 63 -24.124 8.191 -24.182 1.00 0.00 C ATOM 966 CG GLN A 63 -23.656 8.651 -25.553 1.00 0.00 C ATOM 967 CD GLN A 63 -23.905 10.128 -25.789 1.00 0.00 C ATOM 968 OE1 GLN A 63 -24.970 10.651 -25.460 1.00 0.00 O ATOM 969 NE2 GLN A 63 -22.919 10.811 -26.360 1.00 0.00 N ATOM 0 H GLN A 63 -25.611 6.520 -25.214 1.00 0.00 H new ATOM 0 HA GLN A 63 -22.960 6.387 -24.292 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -25.176 8.449 -24.061 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -23.572 8.736 -23.417 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -22.591 8.445 -25.657 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -24.169 8.073 -26.321 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -22.053 10.338 -26.617 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -23.028 11.809 -26.542 1.00 0.00 H new ATOM 978 N GLU A 64 -25.280 6.136 -21.997 1.00 0.00 N ATOM 979 CA GLU A 64 -25.519 5.827 -20.592 1.00 0.00 C ATOM 980 C GLU A 64 -25.327 4.338 -20.322 1.00 0.00 C ATOM 981 O GLU A 64 -24.843 3.945 -19.260 1.00 0.00 O ATOM 982 CB GLU A 64 -26.931 6.253 -20.186 1.00 0.00 C ATOM 983 CG GLU A 64 -27.030 7.708 -19.762 1.00 0.00 C ATOM 984 CD GLU A 64 -27.018 7.879 -18.255 1.00 0.00 C ATOM 985 OE1 GLU A 64 -27.957 7.388 -17.594 1.00 0.00 O ATOM 986 OE2 GLU A 64 -26.069 8.505 -17.737 1.00 0.00 O ATOM 0 H GLU A 64 -26.120 6.147 -22.576 1.00 0.00 H new ATOM 0 HA GLU A 64 -24.795 6.382 -19.996 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -27.608 6.080 -21.023 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -27.270 5.621 -19.366 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -26.199 8.266 -20.194 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -27.947 8.139 -20.165 1.00 0.00 H new ATOM 993 N LEU A 65 -25.710 3.513 -21.290 1.00 0.00 N ATOM 994 CA LEU A 65 -25.582 2.066 -21.158 1.00 0.00 C ATOM 995 C LEU A 65 -24.161 1.680 -20.758 1.00 0.00 C ATOM 996 O LEU A 65 -23.960 0.856 -19.864 1.00 0.00 O ATOM 997 CB LEU A 65 -25.958 1.379 -22.472 1.00 0.00 C ATOM 998 CG LEU A 65 -27.385 0.835 -22.560 1.00 0.00 C ATOM 999 CD1 LEU A 65 -27.815 0.699 -24.013 1.00 0.00 C ATOM 1000 CD2 LEU A 65 -27.491 -0.502 -21.842 1.00 0.00 C ATOM 0 H LEU A 65 -26.112 3.821 -22.175 1.00 0.00 H new ATOM 0 HA LEU A 65 -26.264 1.735 -20.374 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -25.810 2.089 -23.286 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -25.265 0.554 -22.639 1.00 0.00 H new ATOM 0 HG LEU A 65 -28.054 1.541 -22.069 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -28.833 0.311 -24.056 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -27.778 1.675 -24.496 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -27.143 0.013 -24.529 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -28.513 -0.874 -21.915 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -26.811 -1.218 -22.303 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -27.226 -0.374 -20.793 1.00 0.00 H new ATOM 1012 N ILE A 66 -23.181 2.281 -21.423 1.00 0.00 N ATOM 1013 CA ILE A 66 -21.780 2.002 -21.133 1.00 0.00 C ATOM 1014 C ILE A 66 -21.400 2.483 -19.737 1.00 0.00 C ATOM 1015 O ILE A 66 -20.768 1.757 -18.969 1.00 0.00 O ATOM 1016 CB ILE A 66 -20.849 2.669 -22.164 1.00 0.00 C ATOM 1017 CG1 ILE A 66 -21.183 2.182 -23.575 1.00 0.00 C ATOM 1018 CG2 ILE A 66 -19.393 2.379 -21.828 1.00 0.00 C ATOM 1019 CD1 ILE A 66 -20.503 2.979 -24.666 1.00 0.00 C ATOM 0 H ILE A 66 -23.331 2.964 -22.166 1.00 0.00 H new ATOM 0 HA ILE A 66 -21.656 0.920 -21.188 1.00 0.00 H new ATOM 0 HB ILE A 66 -21.002 3.747 -22.127 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -20.894 1.135 -23.667 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -22.262 2.229 -23.721 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -18.747 2.857 -22.565 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -19.163 2.770 -20.837 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -19.224 1.302 -21.841 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -20.785 2.578 -25.639 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -20.811 4.022 -24.600 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -19.422 2.912 -24.546 1.00 0.00 H new ATOM 1031 N LEU A 67 -21.792 3.710 -19.413 1.00 0.00 N ATOM 1032 CA LEU A 67 -21.495 4.289 -18.107 1.00 0.00 C ATOM 1033 C LEU A 67 -22.049 3.415 -16.986 1.00 0.00 C ATOM 1034 O LEU A 67 -21.358 3.134 -16.007 1.00 0.00 O ATOM 1035 CB LEU A 67 -22.080 5.698 -18.007 1.00 0.00 C ATOM 1036 CG LEU A 67 -21.582 6.707 -19.043 1.00 0.00 C ATOM 1037 CD1 LEU A 67 -22.534 7.890 -19.136 1.00 0.00 C ATOM 1038 CD2 LEU A 67 -20.177 7.177 -18.698 1.00 0.00 C ATOM 0 H LEU A 67 -22.316 4.324 -20.037 1.00 0.00 H new ATOM 0 HA LEU A 67 -20.412 4.344 -17.999 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -23.164 5.626 -18.091 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -21.863 6.090 -17.014 1.00 0.00 H new ATOM 0 HG LEU A 67 -21.550 6.215 -20.015 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -22.164 8.598 -19.878 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -23.523 7.539 -19.431 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -22.599 8.382 -18.166 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -19.839 7.894 -19.446 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -20.183 7.652 -17.717 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -19.501 6.322 -18.684 1.00 0.00 H new ATOM 1050 N GLU A 68 -23.298 2.987 -17.138 1.00 0.00 N ATOM 1051 CA GLU A 68 -23.943 2.144 -16.139 1.00 0.00 C ATOM 1052 C GLU A 68 -23.076 0.932 -15.808 1.00 0.00 C ATOM 1053 O GLU A 68 -23.111 0.417 -14.691 1.00 0.00 O ATOM 1054 CB GLU A 68 -25.315 1.682 -16.637 1.00 0.00 C ATOM 1055 CG GLU A 68 -26.081 0.849 -15.624 1.00 0.00 C ATOM 1056 CD GLU A 68 -27.248 1.601 -15.013 1.00 0.00 C ATOM 1057 OE1 GLU A 68 -28.022 2.215 -15.777 1.00 0.00 O ATOM 1058 OE2 GLU A 68 -27.387 1.576 -13.773 1.00 0.00 O ATOM 0 H GLU A 68 -23.883 3.210 -17.943 1.00 0.00 H new ATOM 0 HA GLU A 68 -24.074 2.735 -15.232 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -25.910 2.557 -16.900 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -25.184 1.100 -17.549 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -26.450 -0.056 -16.108 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -25.402 0.533 -14.832 1.00 0.00 H new ATOM 1065 N ALA A 69 -22.300 0.482 -16.788 1.00 0.00 N ATOM 1066 CA ALA A 69 -21.423 -0.667 -16.601 1.00 0.00 C ATOM 1067 C ALA A 69 -20.131 -0.264 -15.898 1.00 0.00 C ATOM 1068 O ALA A 69 -19.625 -0.990 -15.043 1.00 0.00 O ATOM 1069 CB ALA A 69 -21.115 -1.320 -17.941 1.00 0.00 C ATOM 0 H ALA A 69 -22.261 0.896 -17.720 1.00 0.00 H new ATOM 0 HA ALA A 69 -21.941 -1.388 -15.968 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -20.459 -2.177 -17.786 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -22.043 -1.653 -18.405 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -20.622 -0.599 -18.592 1.00 0.00 H new ATOM 1075 N VAL A 70 -19.602 0.899 -16.264 1.00 0.00 N ATOM 1076 CA VAL A 70 -18.369 1.399 -15.668 1.00 0.00 C ATOM 1077 C VAL A 70 -18.529 1.608 -14.166 1.00 0.00 C ATOM 1078 O VAL A 70 -17.598 1.378 -13.394 1.00 0.00 O ATOM 1079 CB VAL A 70 -17.930 2.726 -16.315 1.00 0.00 C ATOM 1080 CG1 VAL A 70 -16.661 3.247 -15.659 1.00 0.00 C ATOM 1081 CG2 VAL A 70 -17.731 2.548 -17.813 1.00 0.00 C ATOM 0 H VAL A 70 -20.008 1.513 -16.970 1.00 0.00 H new ATOM 0 HA VAL A 70 -17.603 0.645 -15.848 1.00 0.00 H new ATOM 0 HB VAL A 70 -18.718 3.463 -16.161 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -16.367 4.185 -16.130 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -16.843 3.415 -14.597 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -15.862 2.515 -15.779 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -17.421 3.495 -18.254 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -16.962 1.796 -17.991 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -18.667 2.225 -18.269 1.00 0.00 H new ATOM 1091 N ASP A 71 -19.716 2.044 -13.759 1.00 0.00 N ATOM 1092 CA ASP A 71 -20.001 2.282 -12.349 1.00 0.00 C ATOM 1093 C ASP A 71 -19.658 1.054 -11.510 1.00 0.00 C ATOM 1094 O ASP A 71 -19.248 1.172 -10.355 1.00 0.00 O ATOM 1095 CB ASP A 71 -21.473 2.651 -12.158 1.00 0.00 C ATOM 1096 CG ASP A 71 -21.664 3.765 -11.148 1.00 0.00 C ATOM 1097 OD1 ASP A 71 -21.597 4.946 -11.548 1.00 0.00 O ATOM 1098 OD2 ASP A 71 -21.881 3.455 -9.957 1.00 0.00 O ATOM 0 H ASP A 71 -20.497 2.240 -14.386 1.00 0.00 H new ATOM 0 HA ASP A 71 -19.381 3.113 -12.014 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -21.895 2.956 -13.115 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -22.026 1.770 -11.832 1.00 0.00 H new ATOM 1103 N LEU A 72 -19.831 -0.124 -12.099 1.00 0.00 N ATOM 1104 CA LEU A 72 -19.542 -1.375 -11.406 1.00 0.00 C ATOM 1105 C LEU A 72 -18.038 -1.618 -11.326 1.00 0.00 C ATOM 1106 O LEU A 72 -17.542 -2.196 -10.357 1.00 0.00 O ATOM 1107 CB LEU A 72 -20.221 -2.545 -12.120 1.00 0.00 C ATOM 1108 CG LEU A 72 -21.684 -2.798 -11.753 1.00 0.00 C ATOM 1109 CD1 LEU A 72 -22.347 -3.693 -12.788 1.00 0.00 C ATOM 1110 CD2 LEU A 72 -21.787 -3.415 -10.366 1.00 0.00 C ATOM 0 H LEU A 72 -20.170 -0.239 -13.054 1.00 0.00 H new ATOM 0 HA LEU A 72 -19.934 -1.299 -10.392 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -20.162 -2.373 -13.195 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -19.653 -3.451 -11.911 1.00 0.00 H new ATOM 0 HG LEU A 72 -22.207 -1.842 -11.743 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -23.387 -3.862 -12.510 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -22.306 -3.212 -13.765 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -21.824 -4.648 -12.832 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -22.835 -3.588 -10.122 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -21.249 -4.363 -10.349 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -21.351 -2.737 -9.633 1.00 0.00 H new ATOM 1122 N LEU A 73 -17.316 -1.171 -12.348 1.00 0.00 N ATOM 1123 CA LEU A 73 -15.868 -1.338 -12.392 1.00 0.00 C ATOM 1124 C LEU A 73 -15.198 -0.583 -11.249 1.00 0.00 C ATOM 1125 O LEU A 73 -14.220 -1.056 -10.668 1.00 0.00 O ATOM 1126 CB LEU A 73 -15.319 -0.847 -13.733 1.00 0.00 C ATOM 1127 CG LEU A 73 -15.045 -1.926 -14.781 1.00 0.00 C ATOM 1128 CD1 LEU A 73 -14.624 -1.294 -16.099 1.00 0.00 C ATOM 1129 CD2 LEU A 73 -13.979 -2.892 -14.286 1.00 0.00 C ATOM 0 H LEU A 73 -17.710 -0.690 -13.157 1.00 0.00 H new ATOM 0 HA LEU A 73 -15.646 -2.399 -12.282 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -16.027 -0.132 -14.153 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -14.392 -0.305 -13.547 1.00 0.00 H new ATOM 0 HG LEU A 73 -15.965 -2.486 -14.947 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -14.433 -2.077 -16.833 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -15.420 -0.643 -16.461 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -13.717 -0.709 -15.948 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -13.797 -3.653 -15.045 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -13.056 -2.346 -14.091 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -14.319 -3.370 -13.367 1.00 0.00 H new ATOM 1141 N CYS A 74 -15.731 0.591 -10.929 1.00 0.00 N ATOM 1142 CA CYS A 74 -15.185 1.411 -9.853 1.00 0.00 C ATOM 1143 C CYS A 74 -15.824 1.050 -8.517 1.00 0.00 C ATOM 1144 O CYS A 74 -15.163 1.059 -7.479 1.00 0.00 O ATOM 1145 CB CYS A 74 -15.405 2.895 -10.153 1.00 0.00 C ATOM 1146 SG CYS A 74 -13.892 3.884 -10.135 1.00 0.00 S ATOM 0 H CYS A 74 -16.540 0.996 -11.399 1.00 0.00 H new ATOM 0 HA CYS A 74 -14.115 1.216 -9.788 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -15.877 2.991 -11.131 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -16.102 3.303 -9.421 1.00 0.00 H new ATOM 0 HG CYS A 74 -14.180 5.123 -10.402 1.00 0.00 H new ATOM 1152 N ALA A 75 -17.115 0.734 -8.550 1.00 0.00 N ATOM 1153 CA ALA A 75 -17.843 0.369 -7.341 1.00 0.00 C ATOM 1154 C ALA A 75 -17.200 -0.830 -6.653 1.00 0.00 C ATOM 1155 O ALA A 75 -17.264 -0.965 -5.431 1.00 0.00 O ATOM 1156 CB ALA A 75 -19.299 0.072 -7.672 1.00 0.00 C ATOM 0 H ALA A 75 -17.678 0.724 -9.401 1.00 0.00 H new ATOM 0 HA ALA A 75 -17.802 1.214 -6.653 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -19.831 -0.199 -6.760 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -19.760 0.956 -8.112 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -19.350 -0.754 -8.381 1.00 0.00 H new ATOM 1162 N LEU A 76 -16.581 -1.699 -7.445 1.00 0.00 N ATOM 1163 CA LEU A 76 -15.926 -2.888 -6.912 1.00 0.00 C ATOM 1164 C LEU A 76 -14.500 -2.573 -6.472 1.00 0.00 C ATOM 1165 O LEU A 76 -13.984 -3.171 -5.529 1.00 0.00 O ATOM 1166 CB LEU A 76 -15.915 -4.002 -7.961 1.00 0.00 C ATOM 1167 CG LEU A 76 -17.191 -4.837 -8.066 1.00 0.00 C ATOM 1168 CD1 LEU A 76 -17.247 -5.560 -9.403 1.00 0.00 C ATOM 1169 CD2 LEU A 76 -17.274 -5.831 -6.917 1.00 0.00 C ATOM 0 H LEU A 76 -16.519 -1.602 -8.459 1.00 0.00 H new ATOM 0 HA LEU A 76 -16.489 -3.224 -6.041 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -15.716 -3.555 -8.935 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -15.083 -4.672 -7.742 1.00 0.00 H new ATOM 0 HG LEU A 76 -18.048 -4.166 -8.002 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -18.162 -6.149 -9.460 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -17.235 -4.830 -10.212 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -16.384 -6.220 -9.496 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -18.189 -6.417 -7.008 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -16.412 -6.497 -6.949 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -17.281 -5.292 -5.970 1.00 0.00 H new ATOM 1181 N ASN A 77 -13.868 -1.629 -7.162 1.00 0.00 N ATOM 1182 CA ASN A 77 -12.502 -1.233 -6.842 1.00 0.00 C ATOM 1183 C ASN A 77 -12.488 0.030 -5.985 1.00 0.00 C ATOM 1184 O ASN A 77 -12.073 1.096 -6.440 1.00 0.00 O ATOM 1185 CB ASN A 77 -11.702 -1.001 -8.125 1.00 0.00 C ATOM 1186 CG ASN A 77 -11.316 -2.298 -8.809 1.00 0.00 C ATOM 1187 OD1 ASN A 77 -10.406 -2.999 -8.367 1.00 0.00 O ATOM 1188 ND2 ASN A 77 -12.010 -2.624 -9.894 1.00 0.00 N ATOM 0 H ASN A 77 -14.280 -1.124 -7.946 1.00 0.00 H new ATOM 0 HA ASN A 77 -12.040 -2.041 -6.275 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -12.291 -0.393 -8.812 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -10.800 -0.435 -7.890 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -11.796 -3.486 -10.396 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -12.756 -2.013 -10.225 1.00 0.00 H new ATOM 1195 N SER A 78 -12.944 -0.099 -4.744 1.00 0.00 N ATOM 1196 CA SER A 78 -12.987 1.032 -3.824 1.00 0.00 C ATOM 1197 C SER A 78 -12.704 0.580 -2.394 1.00 0.00 C ATOM 1198 O SER A 78 -13.182 -0.465 -1.955 1.00 0.00 O ATOM 1199 CB SER A 78 -14.351 1.720 -3.893 1.00 0.00 C ATOM 1200 OG SER A 78 -15.159 1.363 -2.784 1.00 0.00 O ATOM 0 H SER A 78 -13.289 -0.975 -4.352 1.00 0.00 H new ATOM 0 HA SER A 78 -12.215 1.741 -4.122 1.00 0.00 H new ATOM 0 HB2 SER A 78 -14.216 2.801 -3.915 1.00 0.00 H new ATOM 0 HB3 SER A 78 -14.855 1.443 -4.819 1.00 0.00 H new ATOM 0 HG SER A 78 -16.025 1.817 -2.851 1.00 0.00 H new ATOM 1206 N GLY A 79 -11.922 1.377 -1.672 1.00 0.00 N ATOM 1207 CA GLY A 79 -11.587 1.044 -0.300 1.00 0.00 C ATOM 1208 C GLY A 79 -10.225 0.392 -0.177 1.00 0.00 C ATOM 1209 O GLY A 79 -9.510 0.209 -1.163 1.00 0.00 O ATOM 0 H GLY A 79 -11.514 2.248 -2.013 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -11.609 1.950 0.306 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -12.345 0.373 0.103 1.00 0.00 H new ATOM 1213 N PRO A 80 -9.846 0.031 1.058 1.00 0.00 N ATOM 1214 CA PRO A 80 -8.557 -0.609 1.335 1.00 0.00 C ATOM 1215 C PRO A 80 -8.487 -2.032 0.792 1.00 0.00 C ATOM 1216 O PRO A 80 -7.433 -2.484 0.343 1.00 0.00 O ATOM 1217 CB PRO A 80 -8.486 -0.616 2.864 1.00 0.00 C ATOM 1218 CG PRO A 80 -9.908 -0.588 3.309 1.00 0.00 C ATOM 1219 CD PRO A 80 -10.648 0.219 2.278 1.00 0.00 C ATOM 0 HA PRO A 80 -7.730 -0.083 0.858 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -7.973 -1.504 3.233 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -7.937 0.248 3.239 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -10.315 -1.597 3.381 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -9.999 -0.137 4.297 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -11.670 -0.137 2.146 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -10.711 1.270 2.560 1.00 0.00 H new ATOM 1227 N SER A 81 -9.615 -2.733 0.835 1.00 0.00 N ATOM 1228 CA SER A 81 -9.680 -4.106 0.349 1.00 0.00 C ATOM 1229 C SER A 81 -8.754 -5.012 1.155 1.00 0.00 C ATOM 1230 O SER A 81 -7.708 -5.440 0.667 1.00 0.00 O ATOM 1231 CB SER A 81 -9.307 -4.164 -1.133 1.00 0.00 C ATOM 1232 OG SER A 81 -9.756 -5.371 -1.726 1.00 0.00 O ATOM 0 H SER A 81 -10.496 -2.373 1.201 1.00 0.00 H new ATOM 0 HA SER A 81 -10.703 -4.460 0.472 1.00 0.00 H new ATOM 0 HB2 SER A 81 -9.746 -3.314 -1.655 1.00 0.00 H new ATOM 0 HB3 SER A 81 -8.226 -4.082 -1.242 1.00 0.00 H new ATOM 0 HG SER A 81 -9.506 -5.383 -2.674 1.00 0.00 H new ATOM 1238 N SER A 82 -9.146 -5.299 2.392 1.00 0.00 N ATOM 1239 CA SER A 82 -8.349 -6.151 3.268 1.00 0.00 C ATOM 1240 C SER A 82 -9.101 -6.454 4.561 1.00 0.00 C ATOM 1241 O SER A 82 -9.932 -5.666 5.008 1.00 0.00 O ATOM 1242 CB SER A 82 -7.012 -5.480 3.587 1.00 0.00 C ATOM 1243 OG SER A 82 -5.947 -6.413 3.528 1.00 0.00 O ATOM 0 H SER A 82 -10.010 -4.955 2.810 1.00 0.00 H new ATOM 0 HA SER A 82 -8.161 -7.091 2.749 1.00 0.00 H new ATOM 0 HB2 SER A 82 -6.830 -4.670 2.880 1.00 0.00 H new ATOM 0 HB3 SER A 82 -7.054 -5.033 4.580 1.00 0.00 H new ATOM 0 HG SER A 82 -5.103 -5.959 3.734 1.00 0.00 H new ATOM 1249 N GLY A 83 -8.801 -7.605 5.156 1.00 0.00 N ATOM 1250 CA GLY A 83 -9.456 -7.993 6.391 1.00 0.00 C ATOM 1251 C GLY A 83 -9.170 -9.433 6.771 1.00 0.00 C ATOM 1252 O GLY A 83 -9.930 -10.336 6.423 1.00 0.00 O ATOM 0 H GLY A 83 -8.117 -8.275 4.805 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -9.126 -7.336 7.196 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -10.532 -7.855 6.287 1.00 0.00 H new TER 1256 GLY A 83