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 5 SER OG : rot -102:sc= 1.3 USER MOD Set 1.2: A 77 ASN : amide:sc= 0.92 K(o=2.2,f=-2.1) USER MOD Set 2.1: A 26 CYS SG : rot -131:sc= 0.739 USER MOD Set 2.2: A 30 TYR OH : rot 70:sc= 0.277 USER MOD Set 2.3: A 62 HIS : no HE2:sc= 0.727 K(o=1.7,f=-4.2) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0.0159 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= -0.339 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.181 K(o=-0.18,f=-1.2!) USER MOD Single : A 20 MET CE :methyl -107:sc= -0.175 (180deg=-0.972) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= 0.239 K(o=0.24,f=-1.3) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -0.429 K(o=-0.43,f=-1.6!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0.0682 USER MOD Single : A 43 GLN : amide:sc= -0.0136 X(o=-0.014,f=-0.015) USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.252 USER MOD Single : A 49 HIS : no HD1:sc= -0.306 X(o=-0.31,f=-0.0091) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=-0.0037) USER MOD Single : A 58 SER OG : rot 180:sc= 0.0142 USER MOD Single : A 63 GLN : amide:sc= -0.886 K(o=-0.89,f=-2.7) USER MOD Single : A 74 CYS SG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot -95:sc= 1.05 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 -12.448 9.087 -5.916 1.00 0.00 N ATOM 2 CA GLY A 1 -11.906 8.030 -5.083 1.00 0.00 C ATOM 3 C GLY A 1 -10.456 7.726 -5.401 1.00 0.00 C ATOM 4 O GLY A 1 -9.561 8.493 -5.045 1.00 0.00 O ATOM 0 H1 GLY A 1 -13.441 9.257 -5.659 1.00 0.00 H new ATOM 0 H2 GLY A 1 -11.899 9.959 -5.772 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.392 8.805 -6.915 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.992 8.317 -4.035 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -12.501 7.126 -5.216 1.00 0.00 H new ATOM 8 N SER A 2 -10.221 6.604 -6.074 1.00 0.00 N ATOM 9 CA SER A 2 -8.869 6.197 -6.436 1.00 0.00 C ATOM 10 C SER A 2 -7.996 6.047 -5.193 1.00 0.00 C ATOM 11 O SER A 2 -6.805 6.357 -5.217 1.00 0.00 O ATOM 12 CB SER A 2 -8.245 7.217 -7.391 1.00 0.00 C ATOM 13 OG SER A 2 -8.702 7.018 -8.717 1.00 0.00 O ATOM 0 H SER A 2 -10.951 5.960 -6.380 1.00 0.00 H new ATOM 0 HA SER A 2 -8.929 5.230 -6.936 1.00 0.00 H new ATOM 0 HB2 SER A 2 -8.495 8.226 -7.064 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.159 7.132 -7.360 1.00 0.00 H new ATOM 0 HG SER A 2 -8.291 7.683 -9.308 1.00 0.00 H new ATOM 19 N SER A 3 -8.598 5.570 -4.109 1.00 0.00 N ATOM 20 CA SER A 3 -7.878 5.382 -2.855 1.00 0.00 C ATOM 21 C SER A 3 -8.260 4.057 -2.202 1.00 0.00 C ATOM 22 O SER A 3 -9.299 3.948 -1.553 1.00 0.00 O ATOM 23 CB SER A 3 -8.170 6.538 -1.896 1.00 0.00 C ATOM 24 OG SER A 3 -6.971 7.079 -1.369 1.00 0.00 O ATOM 0 H SER A 3 -9.583 5.307 -4.073 1.00 0.00 H new ATOM 0 HA SER A 3 -6.811 5.364 -3.077 1.00 0.00 H new ATOM 0 HB2 SER A 3 -8.725 7.317 -2.419 1.00 0.00 H new ATOM 0 HB3 SER A 3 -8.803 6.187 -1.081 1.00 0.00 H new ATOM 0 HG SER A 3 -7.185 7.817 -0.761 1.00 0.00 H new ATOM 30 N GLY A 4 -7.410 3.050 -2.381 1.00 0.00 N ATOM 31 CA GLY A 4 -7.674 1.745 -1.804 1.00 0.00 C ATOM 32 C GLY A 4 -7.378 0.614 -2.769 1.00 0.00 C ATOM 33 O GLY A 4 -6.567 -0.265 -2.476 1.00 0.00 O ATOM 0 H GLY A 4 -6.544 3.115 -2.915 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -7.070 1.619 -0.906 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -8.718 1.692 -1.496 1.00 0.00 H new ATOM 37 N SER A 5 -8.037 0.634 -3.923 1.00 0.00 N ATOM 38 CA SER A 5 -7.844 -0.401 -4.932 1.00 0.00 C ATOM 39 C SER A 5 -7.750 0.211 -6.326 1.00 0.00 C ATOM 40 O SER A 5 -8.732 0.731 -6.856 1.00 0.00 O ATOM 41 CB SER A 5 -8.991 -1.411 -4.883 1.00 0.00 C ATOM 42 OG SER A 5 -8.791 -2.456 -5.819 1.00 0.00 O ATOM 0 H SER A 5 -8.709 1.356 -4.183 1.00 0.00 H new ATOM 0 HA SER A 5 -6.908 -0.915 -4.715 1.00 0.00 H new ATOM 0 HB2 SER A 5 -9.070 -1.828 -3.879 1.00 0.00 H new ATOM 0 HB3 SER A 5 -9.934 -0.906 -5.093 1.00 0.00 H new ATOM 0 HG SER A 5 -9.352 -2.301 -6.607 1.00 0.00 H new ATOM 48 N SER A 6 -6.560 0.145 -6.916 1.00 0.00 N ATOM 49 CA SER A 6 -6.335 0.696 -8.247 1.00 0.00 C ATOM 50 C SER A 6 -6.212 -0.418 -9.282 1.00 0.00 C ATOM 51 O SER A 6 -5.933 -1.568 -8.943 1.00 0.00 O ATOM 52 CB SER A 6 -5.072 1.559 -8.258 1.00 0.00 C ATOM 53 OG SER A 6 -5.269 2.761 -7.533 1.00 0.00 O ATOM 0 H SER A 6 -5.737 -0.285 -6.493 1.00 0.00 H new ATOM 0 HA SER A 6 -7.193 1.317 -8.506 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.243 1.001 -7.824 1.00 0.00 H new ATOM 0 HB3 SER A 6 -4.796 1.792 -9.286 1.00 0.00 H new ATOM 0 HG SER A 6 -4.447 3.294 -7.554 1.00 0.00 H new ATOM 59 N GLY A 7 -6.422 -0.068 -10.547 1.00 0.00 N ATOM 60 CA GLY A 7 -6.331 -1.049 -11.613 1.00 0.00 C ATOM 61 C GLY A 7 -6.929 -0.549 -12.913 1.00 0.00 C ATOM 62 O GLY A 7 -6.252 -0.503 -13.940 1.00 0.00 O ATOM 0 H GLY A 7 -6.653 0.877 -10.853 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -5.285 -1.310 -11.774 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.844 -1.961 -11.308 1.00 0.00 H new ATOM 66 N VAL A 8 -8.204 -0.174 -12.871 1.00 0.00 N ATOM 67 CA VAL A 8 -8.894 0.324 -14.055 1.00 0.00 C ATOM 68 C VAL A 8 -8.241 1.600 -14.575 1.00 0.00 C ATOM 69 O VAL A 8 -8.345 1.925 -15.758 1.00 0.00 O ATOM 70 CB VAL A 8 -10.380 0.604 -13.762 1.00 0.00 C ATOM 71 CG1 VAL A 8 -11.114 0.981 -15.039 1.00 0.00 C ATOM 72 CG2 VAL A 8 -11.029 -0.603 -13.101 1.00 0.00 C ATOM 0 H VAL A 8 -8.780 -0.206 -12.030 1.00 0.00 H new ATOM 0 HA VAL A 8 -8.821 -0.454 -14.815 1.00 0.00 H new ATOM 0 HB VAL A 8 -10.444 1.446 -13.072 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -12.162 1.175 -14.812 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -10.663 1.877 -15.467 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -11.043 0.162 -15.755 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -12.079 -0.388 -12.901 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -10.955 -1.465 -13.765 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -10.519 -0.823 -12.163 1.00 0.00 H new ATOM 82 N SER A 9 -7.568 2.320 -13.683 1.00 0.00 N ATOM 83 CA SER A 9 -6.900 3.563 -14.052 1.00 0.00 C ATOM 84 C SER A 9 -5.656 3.284 -14.889 1.00 0.00 C ATOM 85 O SER A 9 -5.229 4.119 -15.687 1.00 0.00 O ATOM 86 CB SER A 9 -6.519 4.353 -12.798 1.00 0.00 C ATOM 87 OG SER A 9 -5.891 3.518 -11.841 1.00 0.00 O ATOM 0 H SER A 9 -7.471 2.064 -12.700 1.00 0.00 H new ATOM 0 HA SER A 9 -7.593 4.155 -14.650 1.00 0.00 H new ATOM 0 HB2 SER A 9 -5.849 5.169 -13.068 1.00 0.00 H new ATOM 0 HB3 SER A 9 -7.411 4.803 -12.363 1.00 0.00 H new ATOM 0 HG SER A 9 -5.656 4.046 -11.050 1.00 0.00 H new ATOM 93 N LYS A 10 -5.077 2.103 -14.700 1.00 0.00 N ATOM 94 CA LYS A 10 -3.881 1.710 -15.437 1.00 0.00 C ATOM 95 C LYS A 10 -4.215 0.668 -16.500 1.00 0.00 C ATOM 96 O LYS A 10 -3.350 -0.098 -16.925 1.00 0.00 O ATOM 97 CB LYS A 10 -2.825 1.156 -14.478 1.00 0.00 C ATOM 98 CG LYS A 10 -2.581 2.038 -13.266 1.00 0.00 C ATOM 99 CD LYS A 10 -1.123 2.454 -13.163 1.00 0.00 C ATOM 100 CE LYS A 10 -0.850 3.726 -13.950 1.00 0.00 C ATOM 101 NZ LYS A 10 -0.034 4.697 -13.169 1.00 0.00 N ATOM 0 H LYS A 10 -5.417 1.401 -14.043 1.00 0.00 H new ATOM 0 HA LYS A 10 -3.483 2.595 -15.933 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -3.136 0.167 -14.141 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -1.887 1.028 -15.018 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -3.210 2.926 -13.329 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -2.873 1.504 -12.362 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -0.861 2.609 -12.116 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -0.487 1.651 -13.535 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -0.330 3.476 -14.875 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -1.796 4.189 -14.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 0.130 5.551 -13.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -0.541 4.955 -12.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 0.879 4.264 -12.923 1.00 0.00 H new ATOM 115 N TRP A 11 -5.473 0.646 -16.925 1.00 0.00 N ATOM 116 CA TRP A 11 -5.920 -0.302 -17.940 1.00 0.00 C ATOM 117 C TRP A 11 -5.402 0.092 -19.318 1.00 0.00 C ATOM 118 O TRP A 11 -5.573 1.230 -19.754 1.00 0.00 O ATOM 119 CB TRP A 11 -7.448 -0.379 -17.958 1.00 0.00 C ATOM 120 CG TRP A 11 -7.992 -1.560 -17.214 1.00 0.00 C ATOM 121 CD1 TRP A 11 -7.408 -2.207 -16.162 1.00 0.00 C ATOM 122 CD2 TRP A 11 -9.228 -2.237 -17.468 1.00 0.00 C ATOM 123 NE1 TRP A 11 -8.207 -3.245 -15.746 1.00 0.00 N ATOM 124 CE2 TRP A 11 -9.330 -3.284 -16.530 1.00 0.00 C ATOM 125 CE3 TRP A 11 -10.260 -2.059 -18.393 1.00 0.00 C ATOM 126 CZ2 TRP A 11 -10.421 -4.148 -16.495 1.00 0.00 C ATOM 127 CZ3 TRP A 11 -11.342 -2.918 -18.357 1.00 0.00 C ATOM 128 CH2 TRP A 11 -11.417 -3.951 -17.413 1.00 0.00 C ATOM 0 H TRP A 11 -6.201 1.273 -16.583 1.00 0.00 H new ATOM 0 HA TRP A 11 -5.517 -1.283 -17.688 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -7.856 0.534 -17.524 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -7.790 -0.421 -18.992 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -6.458 -1.942 -15.722 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -7.998 -3.883 -14.978 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -10.213 -1.264 -19.123 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -10.479 -4.946 -15.769 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -12.144 -2.791 -19.069 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -12.277 -4.604 -17.410 1.00 0.00 H new ATOM 139 N SER A 12 -4.768 -0.857 -20.001 1.00 0.00 N ATOM 140 CA SER A 12 -4.222 -0.607 -21.330 1.00 0.00 C ATOM 141 C SER A 12 -5.319 -0.165 -22.294 1.00 0.00 C ATOM 142 O SER A 12 -6.509 -0.380 -22.061 1.00 0.00 O ATOM 143 CB SER A 12 -3.532 -1.863 -21.865 1.00 0.00 C ATOM 144 OG SER A 12 -3.291 -2.795 -20.825 1.00 0.00 O ATOM 0 H SER A 12 -4.620 -1.805 -19.656 1.00 0.00 H new ATOM 0 HA SER A 12 -3.489 0.195 -21.250 1.00 0.00 H new ATOM 0 HB2 SER A 12 -4.153 -2.323 -22.633 1.00 0.00 H new ATOM 0 HB3 SER A 12 -2.589 -1.590 -22.339 1.00 0.00 H new ATOM 0 HG SER A 12 -2.851 -3.589 -21.193 1.00 0.00 H new ATOM 150 N PRO A 13 -4.910 0.468 -23.403 1.00 0.00 N ATOM 151 CA PRO A 13 -5.842 0.953 -24.426 1.00 0.00 C ATOM 152 C PRO A 13 -6.498 -0.185 -25.199 1.00 0.00 C ATOM 153 O PRO A 13 -7.551 -0.007 -25.812 1.00 0.00 O ATOM 154 CB PRO A 13 -4.950 1.784 -25.352 1.00 0.00 C ATOM 155 CG PRO A 13 -3.585 1.213 -25.176 1.00 0.00 C ATOM 156 CD PRO A 13 -3.508 0.758 -23.745 1.00 0.00 C ATOM 0 HA PRO A 13 -6.669 1.514 -23.991 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -5.279 1.711 -26.389 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -4.975 2.840 -25.083 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -3.419 0.380 -25.860 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -2.819 1.959 -25.390 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -2.877 -0.125 -23.637 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -3.089 1.530 -23.100 1.00 0.00 H new ATOM 164 N SER A 14 -5.870 -1.356 -25.166 1.00 0.00 N ATOM 165 CA SER A 14 -6.392 -2.524 -25.867 1.00 0.00 C ATOM 166 C SER A 14 -7.249 -3.378 -24.937 1.00 0.00 C ATOM 167 O SER A 14 -8.139 -4.100 -25.386 1.00 0.00 O ATOM 168 CB SER A 14 -5.243 -3.361 -26.433 1.00 0.00 C ATOM 169 OG SER A 14 -4.365 -2.564 -27.209 1.00 0.00 O ATOM 0 H SER A 14 -4.999 -1.521 -24.661 1.00 0.00 H new ATOM 0 HA SER A 14 -7.017 -2.175 -26.689 1.00 0.00 H new ATOM 0 HB2 SER A 14 -4.691 -3.826 -25.616 1.00 0.00 H new ATOM 0 HB3 SER A 14 -5.644 -4.168 -27.046 1.00 0.00 H new ATOM 0 HG SER A 14 -3.639 -3.122 -27.558 1.00 0.00 H new ATOM 175 N GLN A 15 -6.972 -3.288 -23.640 1.00 0.00 N ATOM 176 CA GLN A 15 -7.717 -4.053 -22.647 1.00 0.00 C ATOM 177 C GLN A 15 -9.171 -3.598 -22.586 1.00 0.00 C ATOM 178 O GLN A 15 -10.088 -4.418 -22.555 1.00 0.00 O ATOM 179 CB GLN A 15 -7.067 -3.909 -21.269 1.00 0.00 C ATOM 180 CG GLN A 15 -5.868 -4.821 -21.064 1.00 0.00 C ATOM 181 CD GLN A 15 -6.216 -6.076 -20.289 1.00 0.00 C ATOM 182 OE1 GLN A 15 -7.050 -6.050 -19.384 1.00 0.00 O ATOM 183 NE2 GLN A 15 -5.577 -7.186 -20.641 1.00 0.00 N ATOM 0 H GLN A 15 -6.239 -2.694 -23.253 1.00 0.00 H new ATOM 0 HA GLN A 15 -7.696 -5.102 -22.944 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -6.754 -2.874 -21.130 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -7.811 -4.122 -20.501 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -5.458 -5.100 -22.035 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -5.088 -4.275 -20.533 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -4.893 -7.163 -21.397 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -5.770 -8.062 -20.155 1.00 0.00 H new ATOM 192 N VAL A 16 -9.374 -2.284 -22.571 1.00 0.00 N ATOM 193 CA VAL A 16 -10.717 -1.719 -22.515 1.00 0.00 C ATOM 194 C VAL A 16 -11.608 -2.311 -23.601 1.00 0.00 C ATOM 195 O VAL A 16 -12.820 -2.436 -23.425 1.00 0.00 O ATOM 196 CB VAL A 16 -10.688 -0.186 -22.669 1.00 0.00 C ATOM 197 CG1 VAL A 16 -12.099 0.381 -22.635 1.00 0.00 C ATOM 198 CG2 VAL A 16 -9.826 0.442 -21.584 1.00 0.00 C ATOM 0 H VAL A 16 -8.626 -1.591 -22.597 1.00 0.00 H new ATOM 0 HA VAL A 16 -11.126 -1.971 -21.536 1.00 0.00 H new ATOM 0 HB VAL A 16 -10.248 0.056 -23.636 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -12.058 1.465 -22.745 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -12.682 -0.045 -23.451 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -12.569 0.130 -21.684 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -9.817 1.525 -21.708 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -10.234 0.192 -20.605 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -8.808 0.059 -21.661 1.00 0.00 H new ATOM 208 N VAL A 17 -10.999 -2.676 -24.725 1.00 0.00 N ATOM 209 CA VAL A 17 -11.737 -3.257 -25.840 1.00 0.00 C ATOM 210 C VAL A 17 -12.358 -4.594 -25.450 1.00 0.00 C ATOM 211 O VAL A 17 -13.500 -4.886 -25.805 1.00 0.00 O ATOM 212 CB VAL A 17 -10.829 -3.463 -27.067 1.00 0.00 C ATOM 213 CG1 VAL A 17 -11.649 -3.899 -28.271 1.00 0.00 C ATOM 214 CG2 VAL A 17 -10.051 -2.193 -27.373 1.00 0.00 C ATOM 0 H VAL A 17 -9.997 -2.580 -24.887 1.00 0.00 H new ATOM 0 HA VAL A 17 -12.529 -2.553 -26.097 1.00 0.00 H new ATOM 0 HB VAL A 17 -10.114 -4.254 -26.839 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -10.990 -4.040 -29.128 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -12.156 -4.837 -28.045 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -12.389 -3.133 -28.504 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -9.415 -2.357 -28.243 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -10.748 -1.381 -27.581 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -9.432 -1.930 -26.515 1.00 0.00 H new ATOM 224 N ASP A 18 -11.599 -5.402 -24.718 1.00 0.00 N ATOM 225 CA ASP A 18 -12.075 -6.708 -24.279 1.00 0.00 C ATOM 226 C ASP A 18 -13.264 -6.563 -23.334 1.00 0.00 C ATOM 227 O ASP A 18 -14.109 -7.454 -23.243 1.00 0.00 O ATOM 228 CB ASP A 18 -10.949 -7.479 -23.587 1.00 0.00 C ATOM 229 CG ASP A 18 -11.283 -8.945 -23.397 1.00 0.00 C ATOM 230 OD1 ASP A 18 -11.954 -9.520 -24.280 1.00 0.00 O ATOM 231 OD2 ASP A 18 -10.875 -9.518 -22.365 1.00 0.00 O ATOM 0 H ASP A 18 -10.651 -5.175 -24.416 1.00 0.00 H new ATOM 0 HA ASP A 18 -12.398 -7.264 -25.159 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -10.036 -7.391 -24.177 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -10.746 -7.027 -22.616 1.00 0.00 H new ATOM 236 N TRP A 19 -13.322 -5.437 -22.633 1.00 0.00 N ATOM 237 CA TRP A 19 -14.407 -5.176 -21.694 1.00 0.00 C ATOM 238 C TRP A 19 -15.722 -4.950 -22.432 1.00 0.00 C ATOM 239 O TRP A 19 -16.764 -5.471 -22.035 1.00 0.00 O ATOM 240 CB TRP A 19 -14.078 -3.960 -20.827 1.00 0.00 C ATOM 241 CG TRP A 19 -15.211 -3.537 -19.942 1.00 0.00 C ATOM 242 CD1 TRP A 19 -15.762 -4.254 -18.918 1.00 0.00 C ATOM 243 CD2 TRP A 19 -15.933 -2.302 -20.004 1.00 0.00 C ATOM 244 NE1 TRP A 19 -16.783 -3.538 -18.340 1.00 0.00 N ATOM 245 CE2 TRP A 19 -16.907 -2.337 -18.987 1.00 0.00 C ATOM 246 CE3 TRP A 19 -15.849 -1.169 -20.818 1.00 0.00 C ATOM 247 CZ2 TRP A 19 -17.790 -1.283 -18.766 1.00 0.00 C ATOM 248 CZ3 TRP A 19 -16.726 -0.125 -20.597 1.00 0.00 C ATOM 249 CH2 TRP A 19 -17.685 -0.187 -19.578 1.00 0.00 C ATOM 0 H TRP A 19 -12.631 -4.690 -22.697 1.00 0.00 H new ATOM 0 HA TRP A 19 -14.518 -6.050 -21.053 1.00 0.00 H new ATOM 0 HB2 TRP A 19 -13.209 -4.188 -20.209 1.00 0.00 H new ATOM 0 HB3 TRP A 19 -13.800 -3.127 -21.473 1.00 0.00 H new ATOM 0 HD1 TRP A 19 -15.443 -5.238 -18.608 1.00 0.00 H new ATOM 0 HE1 TRP A 19 -17.356 -3.850 -17.556 1.00 0.00 H new ATOM 0 HE3 TRP A 19 -15.112 -1.111 -21.605 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 -18.531 -1.329 -17.982 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 -16.671 0.755 -21.221 1.00 0.00 H new ATOM 0 HH2 TRP A 19 -18.355 0.647 -19.430 1.00 0.00 H new ATOM 260 N MET A 20 -15.666 -4.170 -23.506 1.00 0.00 N ATOM 261 CA MET A 20 -16.854 -3.876 -24.300 1.00 0.00 C ATOM 262 C MET A 20 -17.418 -5.148 -24.925 1.00 0.00 C ATOM 263 O MET A 20 -18.599 -5.214 -25.267 1.00 0.00 O ATOM 264 CB MET A 20 -16.525 -2.859 -25.393 1.00 0.00 C ATOM 265 CG MET A 20 -15.925 -1.567 -24.861 1.00 0.00 C ATOM 266 SD MET A 20 -17.138 -0.239 -24.734 1.00 0.00 S ATOM 267 CE MET A 20 -17.441 0.108 -26.465 1.00 0.00 C ATOM 0 H MET A 20 -14.811 -3.730 -23.847 1.00 0.00 H new ATOM 0 HA MET A 20 -17.608 -3.453 -23.637 1.00 0.00 H new ATOM 0 HB2 MET A 20 -15.828 -3.310 -26.099 1.00 0.00 H new ATOM 0 HB3 MET A 20 -17.434 -2.626 -25.947 1.00 0.00 H new ATOM 0 HG2 MET A 20 -15.489 -1.751 -23.879 1.00 0.00 H new ATOM 0 HG3 MET A 20 -15.113 -1.251 -25.516 1.00 0.00 H new ATOM 0 HE1 MET A 20 -16.973 1.055 -26.734 1.00 0.00 H new ATOM 0 HE2 MET A 20 -17.020 -0.691 -27.075 1.00 0.00 H new ATOM 0 HE3 MET A 20 -18.515 0.172 -26.641 1.00 0.00 H new ATOM 277 N LYS A 21 -16.566 -6.157 -25.074 1.00 0.00 N ATOM 278 CA LYS A 21 -16.978 -7.428 -25.658 1.00 0.00 C ATOM 279 C LYS A 21 -17.959 -8.154 -24.743 1.00 0.00 C ATOM 280 O LYS A 21 -18.607 -9.117 -25.151 1.00 0.00 O ATOM 281 CB LYS A 21 -15.758 -8.313 -25.919 1.00 0.00 C ATOM 282 CG LYS A 21 -14.796 -7.735 -26.943 1.00 0.00 C ATOM 283 CD LYS A 21 -13.908 -8.812 -27.544 1.00 0.00 C ATOM 284 CE LYS A 21 -13.614 -8.538 -29.011 1.00 0.00 C ATOM 285 NZ LYS A 21 -13.427 -9.797 -29.784 1.00 0.00 N ATOM 0 H LYS A 21 -15.585 -6.119 -24.798 1.00 0.00 H new ATOM 0 HA LYS A 21 -17.477 -7.219 -26.605 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -15.226 -8.470 -24.981 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -16.096 -9.291 -26.261 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -15.359 -7.243 -27.736 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -14.176 -6.972 -26.471 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -12.972 -8.865 -26.988 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -14.394 -9.783 -27.444 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -14.433 -7.964 -29.444 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -12.717 -7.925 -29.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -13.229 -9.567 -30.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -12.629 -10.333 -29.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -14.292 -10.371 -29.727 1.00 0.00 H new ATOM 299 N GLY A 22 -18.065 -7.684 -23.503 1.00 0.00 N ATOM 300 CA GLY A 22 -18.970 -8.300 -22.551 1.00 0.00 C ATOM 301 C GLY A 22 -20.075 -7.361 -22.111 1.00 0.00 C ATOM 302 O GLY A 22 -20.672 -7.547 -21.050 1.00 0.00 O ATOM 0 H GLY A 22 -17.540 -6.888 -23.142 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -19.411 -9.191 -22.998 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -18.406 -8.627 -21.677 1.00 0.00 H new ATOM 306 N LEU A 23 -20.349 -6.349 -22.926 1.00 0.00 N ATOM 307 CA LEU A 23 -21.389 -5.375 -22.615 1.00 0.00 C ATOM 308 C LEU A 23 -22.554 -5.491 -23.593 1.00 0.00 C ATOM 309 O LEU A 23 -22.624 -6.434 -24.381 1.00 0.00 O ATOM 310 CB LEU A 23 -20.816 -3.957 -22.652 1.00 0.00 C ATOM 311 CG LEU A 23 -19.544 -3.726 -21.836 1.00 0.00 C ATOM 312 CD1 LEU A 23 -19.124 -2.266 -21.904 1.00 0.00 C ATOM 313 CD2 LEU A 23 -19.751 -4.157 -20.391 1.00 0.00 C ATOM 0 H LEU A 23 -19.865 -6.181 -23.808 1.00 0.00 H new ATOM 0 HA LEU A 23 -21.759 -5.584 -21.611 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -20.610 -3.697 -23.690 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -21.582 -3.268 -22.297 1.00 0.00 H new ATOM 0 HG LEU A 23 -18.746 -4.333 -22.264 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -18.217 -2.121 -21.317 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -18.933 -1.990 -22.941 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -19.920 -1.639 -21.502 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -18.835 -3.985 -19.825 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -20.563 -3.578 -19.951 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -20.003 -5.217 -20.360 1.00 0.00 H new ATOM 325 N ASP A 24 -23.464 -4.524 -23.539 1.00 0.00 N ATOM 326 CA ASP A 24 -24.624 -4.516 -24.422 1.00 0.00 C ATOM 327 C ASP A 24 -24.199 -4.675 -25.879 1.00 0.00 C ATOM 328 O ASP A 24 -23.105 -4.263 -26.265 1.00 0.00 O ATOM 329 CB ASP A 24 -25.415 -3.219 -24.247 1.00 0.00 C ATOM 330 CG ASP A 24 -26.912 -3.455 -24.200 1.00 0.00 C ATOM 331 OD1 ASP A 24 -27.475 -3.903 -25.221 1.00 0.00 O ATOM 332 OD2 ASP A 24 -27.520 -3.194 -23.141 1.00 0.00 O ATOM 0 H ASP A 24 -23.420 -3.736 -22.893 1.00 0.00 H new ATOM 0 HA ASP A 24 -25.260 -5.360 -24.154 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -25.099 -2.725 -23.328 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -25.183 -2.542 -25.069 1.00 0.00 H new ATOM 337 N ASP A 25 -25.071 -5.274 -26.682 1.00 0.00 N ATOM 338 CA ASP A 25 -24.786 -5.488 -28.096 1.00 0.00 C ATOM 339 C ASP A 25 -24.734 -4.160 -28.846 1.00 0.00 C ATOM 340 O ASP A 25 -24.071 -4.045 -29.877 1.00 0.00 O ATOM 341 CB ASP A 25 -25.844 -6.399 -28.719 1.00 0.00 C ATOM 342 CG ASP A 25 -25.369 -7.041 -30.008 1.00 0.00 C ATOM 343 OD1 ASP A 25 -24.538 -7.970 -29.936 1.00 0.00 O ATOM 344 OD2 ASP A 25 -25.827 -6.614 -31.088 1.00 0.00 O ATOM 0 H ASP A 25 -25.981 -5.620 -26.378 1.00 0.00 H new ATOM 0 HA ASP A 25 -23.811 -5.969 -28.177 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -26.113 -7.178 -28.006 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -26.747 -5.821 -28.916 1.00 0.00 H new ATOM 349 N CYS A 26 -25.438 -3.163 -28.323 1.00 0.00 N ATOM 350 CA CYS A 26 -25.474 -1.844 -28.944 1.00 0.00 C ATOM 351 C CYS A 26 -24.132 -1.135 -28.793 1.00 0.00 C ATOM 352 O CYS A 26 -23.800 -0.239 -29.570 1.00 0.00 O ATOM 353 CB CYS A 26 -26.585 -0.995 -28.324 1.00 0.00 C ATOM 354 SG CYS A 26 -28.111 -0.954 -29.293 1.00 0.00 S ATOM 0 H CYS A 26 -25.992 -3.243 -27.470 1.00 0.00 H new ATOM 0 HA CYS A 26 -25.678 -1.976 -30.007 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -26.809 -1.380 -27.329 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -26.221 0.024 -28.197 1.00 0.00 H new ATOM 0 HG CYS A 26 -28.508 0.277 -29.426 1.00 0.00 H new ATOM 360 N LEU A 27 -23.364 -1.542 -27.789 1.00 0.00 N ATOM 361 CA LEU A 27 -22.057 -0.945 -27.534 1.00 0.00 C ATOM 362 C LEU A 27 -20.949 -1.757 -28.197 1.00 0.00 C ATOM 363 O LEU A 27 -19.787 -1.679 -27.799 1.00 0.00 O ATOM 364 CB LEU A 27 -21.803 -0.848 -26.029 1.00 0.00 C ATOM 365 CG LEU A 27 -23.004 -0.449 -25.170 1.00 0.00 C ATOM 366 CD1 LEU A 27 -22.653 -0.529 -23.692 1.00 0.00 C ATOM 367 CD2 LEU A 27 -23.477 0.952 -25.532 1.00 0.00 C ATOM 0 H LEU A 27 -23.623 -2.283 -27.138 1.00 0.00 H new ATOM 0 HA LEU A 27 -22.053 0.058 -27.962 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -21.436 -1.813 -25.680 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -21.005 -0.124 -25.861 1.00 0.00 H new ATOM 0 HG LEU A 27 -23.816 -1.148 -25.368 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -23.519 -0.242 -23.096 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -22.363 -1.549 -23.442 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -21.825 0.147 -23.478 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -24.332 1.219 -24.911 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -22.669 1.664 -25.363 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -23.769 0.977 -26.582 1.00 0.00 H new ATOM 379 N GLN A 28 -21.317 -2.533 -29.211 1.00 0.00 N ATOM 380 CA GLN A 28 -20.354 -3.358 -29.930 1.00 0.00 C ATOM 381 C GLN A 28 -19.776 -2.605 -31.124 1.00 0.00 C ATOM 382 O GLN A 28 -18.565 -2.606 -31.343 1.00 0.00 O ATOM 383 CB GLN A 28 -21.012 -4.656 -30.401 1.00 0.00 C ATOM 384 CG GLN A 28 -21.503 -5.536 -29.263 1.00 0.00 C ATOM 385 CD GLN A 28 -20.371 -6.075 -28.411 1.00 0.00 C ATOM 386 OE1 GLN A 28 -19.379 -6.590 -28.929 1.00 0.00 O ATOM 387 NE2 GLN A 28 -20.512 -5.960 -27.096 1.00 0.00 N ATOM 0 H GLN A 28 -22.275 -2.608 -29.553 1.00 0.00 H new ATOM 0 HA GLN A 28 -19.540 -3.599 -29.247 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -21.853 -4.413 -31.050 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -20.298 -5.219 -31.002 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -22.185 -4.963 -28.634 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -22.072 -6.370 -29.673 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -21.350 -5.526 -26.709 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -19.782 -6.305 -26.473 1.00 0.00 H new ATOM 396 N GLN A 29 -20.651 -1.964 -31.893 1.00 0.00 N ATOM 397 CA GLN A 29 -20.227 -1.208 -33.065 1.00 0.00 C ATOM 398 C GLN A 29 -19.198 -0.148 -32.687 1.00 0.00 C ATOM 399 O GLN A 29 -18.379 0.259 -33.511 1.00 0.00 O ATOM 400 CB GLN A 29 -21.433 -0.549 -33.737 1.00 0.00 C ATOM 401 CG GLN A 29 -22.015 0.608 -32.941 1.00 0.00 C ATOM 402 CD GLN A 29 -23.260 1.189 -33.582 1.00 0.00 C ATOM 403 OE1 GLN A 29 -23.373 1.246 -34.807 1.00 0.00 O ATOM 404 NE2 GLN A 29 -24.204 1.623 -32.755 1.00 0.00 N ATOM 0 H GLN A 29 -21.657 -1.953 -31.725 1.00 0.00 H new ATOM 0 HA GLN A 29 -19.764 -1.903 -33.766 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -21.138 -0.189 -34.723 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -22.208 -1.300 -33.891 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -22.255 0.267 -31.934 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -21.263 1.391 -32.842 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -24.068 1.556 -31.746 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -25.065 2.023 -33.129 1.00 0.00 H new ATOM 413 N TYR A 30 -19.246 0.295 -31.435 1.00 0.00 N ATOM 414 CA TYR A 30 -18.320 1.310 -30.948 1.00 0.00 C ATOM 415 C TYR A 30 -16.940 0.712 -30.694 1.00 0.00 C ATOM 416 O TYR A 30 -15.928 1.412 -30.744 1.00 0.00 O ATOM 417 CB TYR A 30 -18.856 1.947 -29.665 1.00 0.00 C ATOM 418 CG TYR A 30 -20.242 2.534 -29.813 1.00 0.00 C ATOM 419 CD1 TYR A 30 -20.586 3.277 -30.935 1.00 0.00 C ATOM 420 CD2 TYR A 30 -21.207 2.344 -28.832 1.00 0.00 C ATOM 421 CE1 TYR A 30 -21.851 3.816 -31.075 1.00 0.00 C ATOM 422 CE2 TYR A 30 -22.474 2.878 -28.963 1.00 0.00 C ATOM 423 CZ TYR A 30 -22.791 3.613 -30.086 1.00 0.00 C ATOM 424 OH TYR A 30 -24.052 4.147 -30.222 1.00 0.00 O ATOM 0 H TYR A 30 -19.916 -0.033 -30.740 1.00 0.00 H new ATOM 0 HA TYR A 30 -18.227 2.078 -31.716 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -18.871 1.196 -28.875 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -18.170 2.732 -29.345 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -19.852 3.436 -31.711 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -20.962 1.769 -27.951 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -22.102 4.392 -31.953 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -23.212 2.721 -28.190 1.00 0.00 H new ATOM 0 HH TYR A 30 -24.533 3.674 -30.933 1.00 0.00 H new ATOM 434 N ILE A 31 -16.907 -0.588 -30.421 1.00 0.00 N ATOM 435 CA ILE A 31 -15.652 -1.282 -30.161 1.00 0.00 C ATOM 436 C ILE A 31 -14.637 -1.017 -31.268 1.00 0.00 C ATOM 437 O ILE A 31 -13.473 -0.722 -31.000 1.00 0.00 O ATOM 438 CB ILE A 31 -15.866 -2.802 -30.029 1.00 0.00 C ATOM 439 CG1 ILE A 31 -16.887 -3.101 -28.929 1.00 0.00 C ATOM 440 CG2 ILE A 31 -14.546 -3.499 -29.737 1.00 0.00 C ATOM 441 CD1 ILE A 31 -17.176 -4.576 -28.759 1.00 0.00 C ATOM 0 H ILE A 31 -17.735 -1.182 -30.374 1.00 0.00 H new ATOM 0 HA ILE A 31 -15.267 -0.894 -29.218 1.00 0.00 H new ATOM 0 HB ILE A 31 -16.255 -3.183 -30.973 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -16.520 -2.700 -27.984 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -17.817 -2.580 -29.156 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -14.713 -4.572 -29.646 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -13.846 -3.308 -30.551 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -14.131 -3.117 -28.804 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -17.908 -4.714 -27.963 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -17.573 -4.979 -29.691 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -16.256 -5.100 -28.501 1.00 0.00 H new ATOM 453 N LYS A 32 -15.088 -1.123 -32.513 1.00 0.00 N ATOM 454 CA LYS A 32 -14.221 -0.893 -33.663 1.00 0.00 C ATOM 455 C LYS A 32 -13.602 0.500 -33.606 1.00 0.00 C ATOM 456 O LYS A 32 -12.514 0.728 -34.134 1.00 0.00 O ATOM 457 CB LYS A 32 -15.010 -1.059 -34.964 1.00 0.00 C ATOM 458 CG LYS A 32 -15.561 -2.460 -35.166 1.00 0.00 C ATOM 459 CD LYS A 32 -16.050 -2.666 -36.590 1.00 0.00 C ATOM 460 CE LYS A 32 -16.259 -4.141 -36.899 1.00 0.00 C ATOM 461 NZ LYS A 32 -16.992 -4.340 -38.179 1.00 0.00 N ATOM 0 H LYS A 32 -16.049 -1.367 -32.752 1.00 0.00 H new ATOM 0 HA LYS A 32 -13.419 -1.630 -33.636 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -15.836 -0.348 -34.971 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -14.365 -0.807 -35.805 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -14.788 -3.193 -34.936 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -16.382 -2.633 -34.470 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -16.986 -2.126 -36.736 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -15.327 -2.246 -37.289 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -15.292 -4.642 -36.952 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -16.815 -4.607 -36.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -17.115 -5.358 -38.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -17.925 -3.884 -38.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -16.449 -3.917 -38.959 1.00 0.00 H new ATOM 475 N ASN A 33 -14.301 1.428 -32.961 1.00 0.00 N ATOM 476 CA ASN A 33 -13.818 2.799 -32.835 1.00 0.00 C ATOM 477 C ASN A 33 -12.880 2.937 -31.640 1.00 0.00 C ATOM 478 O ASN A 33 -11.997 3.795 -31.626 1.00 0.00 O ATOM 479 CB ASN A 33 -14.996 3.765 -32.687 1.00 0.00 C ATOM 480 CG ASN A 33 -15.746 3.965 -33.990 1.00 0.00 C ATOM 481 OD1 ASN A 33 -15.229 3.673 -35.068 1.00 0.00 O ATOM 482 ND2 ASN A 33 -16.972 4.466 -33.896 1.00 0.00 N ATOM 0 H ASN A 33 -15.203 1.256 -32.518 1.00 0.00 H new ATOM 0 HA ASN A 33 -13.264 3.048 -33.740 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -15.682 3.384 -31.931 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -14.630 4.728 -32.330 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -17.525 4.623 -34.739 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -17.361 4.694 -32.981 1.00 0.00 H new ATOM 489 N PHE A 34 -13.077 2.086 -30.638 1.00 0.00 N ATOM 490 CA PHE A 34 -12.250 2.113 -29.438 1.00 0.00 C ATOM 491 C PHE A 34 -10.873 1.516 -29.713 1.00 0.00 C ATOM 492 O PHE A 34 -9.894 1.858 -29.051 1.00 0.00 O ATOM 493 CB PHE A 34 -12.933 1.346 -28.304 1.00 0.00 C ATOM 494 CG PHE A 34 -13.844 2.199 -27.467 1.00 0.00 C ATOM 495 CD1 PHE A 34 -14.864 2.930 -28.055 1.00 0.00 C ATOM 496 CD2 PHE A 34 -13.680 2.270 -26.093 1.00 0.00 C ATOM 497 CE1 PHE A 34 -15.703 3.716 -27.288 1.00 0.00 C ATOM 498 CE2 PHE A 34 -14.516 3.054 -25.321 1.00 0.00 C ATOM 499 CZ PHE A 34 -15.529 3.777 -25.919 1.00 0.00 C ATOM 0 H PHE A 34 -13.803 1.369 -30.634 1.00 0.00 H new ATOM 0 HA PHE A 34 -12.123 3.153 -29.139 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -13.507 0.522 -28.728 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -12.170 0.906 -27.663 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -15.005 2.885 -29.125 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -12.890 1.706 -25.620 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -16.494 4.282 -27.758 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -14.377 3.101 -24.251 1.00 0.00 H new ATOM 0 HZ PHE A 34 -16.184 4.389 -25.317 1.00 0.00 H new ATOM 509 N GLU A 35 -10.808 0.622 -30.694 1.00 0.00 N ATOM 510 CA GLU A 35 -9.552 -0.024 -31.056 1.00 0.00 C ATOM 511 C GLU A 35 -8.602 0.967 -31.722 1.00 0.00 C ATOM 512 O GLU A 35 -7.411 1.006 -31.412 1.00 0.00 O ATOM 513 CB GLU A 35 -9.811 -1.206 -31.993 1.00 0.00 C ATOM 514 CG GLU A 35 -9.281 -2.529 -31.466 1.00 0.00 C ATOM 515 CD GLU A 35 -7.767 -2.562 -31.391 1.00 0.00 C ATOM 516 OE1 GLU A 35 -7.126 -1.632 -31.922 1.00 0.00 O ATOM 517 OE2 GLU A 35 -7.224 -3.520 -30.801 1.00 0.00 O ATOM 0 H GLU A 35 -11.610 0.329 -31.252 1.00 0.00 H new ATOM 0 HA GLU A 35 -9.086 -0.390 -30.141 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -10.884 -1.296 -32.162 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -9.352 -1.000 -32.960 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -9.694 -2.713 -30.474 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -9.627 -3.337 -32.110 1.00 0.00 H new ATOM 524 N ARG A 36 -9.138 1.767 -32.638 1.00 0.00 N ATOM 525 CA ARG A 36 -8.339 2.758 -33.349 1.00 0.00 C ATOM 526 C ARG A 36 -8.086 3.982 -32.474 1.00 0.00 C ATOM 527 O ARG A 36 -7.096 4.690 -32.654 1.00 0.00 O ATOM 528 CB ARG A 36 -9.041 3.178 -34.642 1.00 0.00 C ATOM 529 CG ARG A 36 -8.089 3.406 -35.805 1.00 0.00 C ATOM 530 CD ARG A 36 -8.842 3.745 -37.082 1.00 0.00 C ATOM 531 NE ARG A 36 -8.207 4.833 -37.820 1.00 0.00 N ATOM 532 CZ ARG A 36 -8.487 5.126 -39.085 1.00 0.00 C ATOM 533 NH1 ARG A 36 -9.387 4.415 -39.749 1.00 0.00 N ATOM 534 NH2 ARG A 36 -7.866 6.132 -39.687 1.00 0.00 N ATOM 0 H ARG A 36 -10.122 1.748 -32.905 1.00 0.00 H new ATOM 0 HA ARG A 36 -7.379 2.305 -33.596 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -9.763 2.410 -34.920 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -9.604 4.093 -34.459 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -7.401 4.216 -35.561 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -7.485 2.512 -35.963 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -8.896 2.860 -37.716 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -9.866 4.024 -36.835 1.00 0.00 H new ATOM 0 HE ARG A 36 -7.510 5.400 -37.337 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -9.866 3.641 -39.289 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -9.601 4.642 -40.720 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -7.173 6.681 -39.178 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -8.082 6.356 -40.658 1.00 0.00 H new ATOM 548 N GLU A 37 -8.987 4.223 -31.528 1.00 0.00 N ATOM 549 CA GLU A 37 -8.861 5.362 -30.626 1.00 0.00 C ATOM 550 C GLU A 37 -7.925 5.037 -29.466 1.00 0.00 C ATOM 551 O GLU A 37 -7.377 5.934 -28.825 1.00 0.00 O ATOM 552 CB GLU A 37 -10.235 5.769 -30.089 1.00 0.00 C ATOM 553 CG GLU A 37 -11.074 6.547 -31.089 1.00 0.00 C ATOM 554 CD GLU A 37 -11.036 8.043 -30.845 1.00 0.00 C ATOM 555 OE1 GLU A 37 -9.948 8.639 -30.986 1.00 0.00 O ATOM 556 OE2 GLU A 37 -12.094 8.617 -30.512 1.00 0.00 O ATOM 0 H GLU A 37 -9.812 3.645 -31.366 1.00 0.00 H new ATOM 0 HA GLU A 37 -8.438 6.194 -31.189 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -10.779 4.873 -29.791 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -10.101 6.374 -29.192 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -10.717 6.338 -32.097 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -12.106 6.201 -31.038 1.00 0.00 H new ATOM 563 N LYS A 38 -7.746 3.747 -29.202 1.00 0.00 N ATOM 564 CA LYS A 38 -6.876 3.301 -28.120 1.00 0.00 C ATOM 565 C LYS A 38 -7.334 3.873 -26.782 1.00 0.00 C ATOM 566 O LYS A 38 -6.515 4.279 -25.957 1.00 0.00 O ATOM 567 CB LYS A 38 -5.430 3.718 -28.396 1.00 0.00 C ATOM 568 CG LYS A 38 -4.894 3.213 -29.725 1.00 0.00 C ATOM 569 CD LYS A 38 -4.201 1.869 -29.573 1.00 0.00 C ATOM 570 CE LYS A 38 -3.275 1.584 -30.745 1.00 0.00 C ATOM 571 NZ LYS A 38 -1.851 1.858 -30.406 1.00 0.00 N ATOM 0 H LYS A 38 -8.192 2.992 -29.723 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.931 2.214 -28.068 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -5.365 4.806 -28.377 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -4.794 3.347 -27.593 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -5.714 3.122 -30.438 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -4.193 3.940 -30.136 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -3.630 1.856 -28.645 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -4.949 1.079 -29.498 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -3.382 0.542 -31.048 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -3.570 2.196 -31.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -1.252 1.652 -31.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -1.743 2.858 -30.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -1.562 1.256 -29.609 1.00 0.00 H new ATOM 585 N ILE A 39 -8.646 3.899 -26.573 1.00 0.00 N ATOM 586 CA ILE A 39 -9.212 4.418 -25.334 1.00 0.00 C ATOM 587 C ILE A 39 -8.616 3.714 -24.120 1.00 0.00 C ATOM 588 O ILE A 39 -8.893 2.540 -23.873 1.00 0.00 O ATOM 589 CB ILE A 39 -10.743 4.260 -25.305 1.00 0.00 C ATOM 590 CG1 ILE A 39 -11.374 4.960 -26.511 1.00 0.00 C ATOM 591 CG2 ILE A 39 -11.309 4.817 -24.007 1.00 0.00 C ATOM 592 CD1 ILE A 39 -11.060 6.438 -26.583 1.00 0.00 C ATOM 0 H ILE A 39 -9.337 3.567 -27.246 1.00 0.00 H new ATOM 0 HA ILE A 39 -8.964 5.479 -25.294 1.00 0.00 H new ATOM 0 HB ILE A 39 -10.984 3.198 -25.358 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -11.026 4.478 -27.424 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -12.455 4.828 -26.473 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -12.392 4.698 -24.002 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -10.881 4.278 -23.162 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -11.060 5.875 -23.926 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -11.539 6.869 -27.462 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -11.433 6.933 -25.687 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -9.981 6.578 -26.653 1.00 0.00 H new ATOM 604 N SER A 40 -7.797 4.439 -23.365 1.00 0.00 N ATOM 605 CA SER A 40 -7.159 3.883 -22.177 1.00 0.00 C ATOM 606 C SER A 40 -8.093 3.961 -20.973 1.00 0.00 C ATOM 607 O SER A 40 -9.012 4.778 -20.938 1.00 0.00 O ATOM 608 CB SER A 40 -5.857 4.627 -21.876 1.00 0.00 C ATOM 609 OG SER A 40 -5.957 5.995 -22.232 1.00 0.00 O ATOM 0 H SER A 40 -7.559 5.413 -23.555 1.00 0.00 H new ATOM 0 HA SER A 40 -6.933 2.835 -22.373 1.00 0.00 H new ATOM 0 HB2 SER A 40 -5.622 4.540 -20.815 1.00 0.00 H new ATOM 0 HB3 SER A 40 -5.035 4.165 -22.423 1.00 0.00 H new ATOM 0 HG SER A 40 -5.113 6.449 -22.028 1.00 0.00 H new ATOM 615 N GLY A 41 -7.849 3.105 -19.986 1.00 0.00 N ATOM 616 CA GLY A 41 -8.675 3.092 -18.793 1.00 0.00 C ATOM 617 C GLY A 41 -8.749 4.451 -18.124 1.00 0.00 C ATOM 618 O GLY A 41 -9.823 4.892 -17.718 1.00 0.00 O ATOM 0 H GLY A 41 -7.093 2.420 -19.991 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -9.681 2.764 -19.055 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -8.276 2.364 -18.087 1.00 0.00 H new ATOM 622 N ASP A 42 -7.604 5.114 -18.009 1.00 0.00 N ATOM 623 CA ASP A 42 -7.542 6.430 -17.384 1.00 0.00 C ATOM 624 C ASP A 42 -8.562 7.377 -18.010 1.00 0.00 C ATOM 625 O ASP A 42 -9.067 8.284 -17.349 1.00 0.00 O ATOM 626 CB ASP A 42 -6.135 7.016 -17.516 1.00 0.00 C ATOM 627 CG ASP A 42 -5.835 8.047 -16.446 1.00 0.00 C ATOM 628 OD1 ASP A 42 -6.370 7.913 -15.326 1.00 0.00 O ATOM 629 OD2 ASP A 42 -5.066 8.990 -16.730 1.00 0.00 O ATOM 0 H ASP A 42 -6.706 4.762 -18.340 1.00 0.00 H new ATOM 0 HA ASP A 42 -7.781 6.314 -16.327 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -5.402 6.211 -17.457 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -6.026 7.474 -18.499 1.00 0.00 H new ATOM 634 N GLN A 43 -8.857 7.160 -19.287 1.00 0.00 N ATOM 635 CA GLN A 43 -9.815 7.995 -20.002 1.00 0.00 C ATOM 636 C GLN A 43 -11.223 7.420 -19.897 1.00 0.00 C ATOM 637 O GLN A 43 -12.212 8.150 -19.988 1.00 0.00 O ATOM 638 CB GLN A 43 -9.412 8.126 -21.472 1.00 0.00 C ATOM 639 CG GLN A 43 -8.275 9.107 -21.706 1.00 0.00 C ATOM 640 CD GLN A 43 -8.261 9.657 -23.119 1.00 0.00 C ATOM 641 OE1 GLN A 43 -7.267 9.533 -23.836 1.00 0.00 O ATOM 642 NE2 GLN A 43 -9.366 10.269 -23.527 1.00 0.00 N ATOM 0 H GLN A 43 -8.447 6.413 -19.848 1.00 0.00 H new ATOM 0 HA GLN A 43 -9.811 8.983 -19.543 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -9.118 7.146 -21.848 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -10.279 8.443 -22.051 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -8.361 9.933 -21.000 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -7.325 8.612 -21.503 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -10.166 10.349 -22.899 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -9.415 10.659 -24.468 1.00 0.00 H new ATOM 651 N LEU A 44 -11.309 6.108 -19.707 1.00 0.00 N ATOM 652 CA LEU A 44 -12.597 5.434 -19.590 1.00 0.00 C ATOM 653 C LEU A 44 -13.247 5.731 -18.243 1.00 0.00 C ATOM 654 O LEU A 44 -14.425 6.086 -18.174 1.00 0.00 O ATOM 655 CB LEU A 44 -12.423 3.924 -19.764 1.00 0.00 C ATOM 656 CG LEU A 44 -13.693 3.083 -19.635 1.00 0.00 C ATOM 657 CD1 LEU A 44 -14.498 3.132 -20.925 1.00 0.00 C ATOM 658 CD2 LEU A 44 -13.347 1.646 -19.275 1.00 0.00 C ATOM 0 H LEU A 44 -10.501 5.490 -19.631 1.00 0.00 H new ATOM 0 HA LEU A 44 -13.249 5.811 -20.378 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -11.987 3.739 -20.746 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -11.703 3.574 -19.025 1.00 0.00 H new ATOM 0 HG LEU A 44 -14.303 3.500 -18.834 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -15.399 2.528 -20.815 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -14.777 4.163 -21.141 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -13.896 2.740 -21.745 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -14.263 1.062 -19.187 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -12.717 1.217 -20.054 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -12.813 1.627 -18.325 1.00 0.00 H new ATOM 670 N LEU A 45 -12.472 5.586 -17.173 1.00 0.00 N ATOM 671 CA LEU A 45 -12.971 5.840 -15.826 1.00 0.00 C ATOM 672 C LEU A 45 -13.626 7.215 -15.739 1.00 0.00 C ATOM 673 O LEU A 45 -14.627 7.395 -15.045 1.00 0.00 O ATOM 674 CB LEU A 45 -11.831 5.740 -14.811 1.00 0.00 C ATOM 675 CG LEU A 45 -11.392 4.325 -14.434 1.00 0.00 C ATOM 676 CD1 LEU A 45 -10.190 4.370 -13.503 1.00 0.00 C ATOM 677 CD2 LEU A 45 -12.540 3.564 -13.788 1.00 0.00 C ATOM 0 H LEU A 45 -11.496 5.294 -17.212 1.00 0.00 H new ATOM 0 HA LEU A 45 -13.722 5.085 -15.595 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -10.968 6.273 -15.210 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -12.134 6.260 -13.902 1.00 0.00 H new ATOM 0 HG LEU A 45 -11.102 3.801 -15.345 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -9.891 3.354 -13.245 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -9.363 4.876 -14.001 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -10.453 4.912 -12.595 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -12.209 2.559 -13.526 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -12.861 4.086 -12.887 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -13.374 3.501 -14.487 1.00 0.00 H new ATOM 689 N ARG A 46 -13.055 8.183 -16.449 1.00 0.00 N ATOM 690 CA ARG A 46 -13.583 9.542 -16.453 1.00 0.00 C ATOM 691 C ARG A 46 -14.253 9.861 -17.786 1.00 0.00 C ATOM 692 O ARG A 46 -14.314 11.020 -18.199 1.00 0.00 O ATOM 693 CB ARG A 46 -12.463 10.548 -16.178 1.00 0.00 C ATOM 694 CG ARG A 46 -11.440 10.641 -17.298 1.00 0.00 C ATOM 695 CD ARG A 46 -10.513 11.831 -17.108 1.00 0.00 C ATOM 696 NE ARG A 46 -9.106 11.436 -17.119 1.00 0.00 N ATOM 697 CZ ARG A 46 -8.109 12.279 -17.362 1.00 0.00 C ATOM 698 NH1 ARG A 46 -8.361 13.556 -17.612 1.00 0.00 N ATOM 699 NH2 ARG A 46 -6.855 11.844 -17.354 1.00 0.00 N ATOM 0 H ARG A 46 -12.226 8.051 -17.029 1.00 0.00 H new ATOM 0 HA ARG A 46 -14.331 9.617 -15.664 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -12.902 11.532 -16.016 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -11.954 10.270 -15.255 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -10.853 9.723 -17.333 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -11.954 10.728 -18.255 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -10.691 12.559 -17.899 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -10.744 12.323 -16.163 1.00 0.00 H new ATOM 0 HE ARG A 46 -8.877 10.460 -16.930 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -9.323 13.894 -17.618 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -7.593 14.201 -17.798 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -6.657 10.862 -17.161 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -6.089 12.492 -17.541 1.00 0.00 H new ATOM 713 N ILE A 47 -14.753 8.827 -18.454 1.00 0.00 N ATOM 714 CA ILE A 47 -15.418 8.999 -19.739 1.00 0.00 C ATOM 715 C ILE A 47 -16.669 9.860 -19.601 1.00 0.00 C ATOM 716 O ILE A 47 -17.460 9.681 -18.674 1.00 0.00 O ATOM 717 CB ILE A 47 -15.808 7.642 -20.356 1.00 0.00 C ATOM 718 CG1 ILE A 47 -16.292 7.832 -21.795 1.00 0.00 C ATOM 719 CG2 ILE A 47 -16.881 6.967 -19.516 1.00 0.00 C ATOM 720 CD1 ILE A 47 -15.644 6.885 -22.781 1.00 0.00 C ATOM 0 H ILE A 47 -14.710 7.862 -18.127 1.00 0.00 H new ATOM 0 HA ILE A 47 -14.708 9.499 -20.398 1.00 0.00 H new ATOM 0 HB ILE A 47 -14.928 7.000 -20.370 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -17.373 7.694 -21.827 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -16.093 8.858 -22.104 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -17.146 6.010 -19.965 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -16.503 6.803 -18.507 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -17.764 7.604 -19.473 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -16.035 7.077 -23.780 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -14.565 7.039 -22.778 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -15.865 5.856 -22.496 1.00 0.00 H new ATOM 732 N THR A 48 -16.843 10.795 -20.530 1.00 0.00 N ATOM 733 CA THR A 48 -17.997 11.684 -20.512 1.00 0.00 C ATOM 734 C THR A 48 -18.658 11.754 -21.884 1.00 0.00 C ATOM 735 O THR A 48 -18.092 11.303 -22.881 1.00 0.00 O ATOM 736 CB THR A 48 -17.605 13.107 -20.071 1.00 0.00 C ATOM 737 OG1 THR A 48 -18.774 13.926 -19.962 1.00 0.00 O ATOM 738 CG2 THR A 48 -16.632 13.731 -21.060 1.00 0.00 C ATOM 0 H THR A 48 -16.199 10.956 -21.304 1.00 0.00 H new ATOM 0 HA THR A 48 -18.703 11.270 -19.791 1.00 0.00 H new ATOM 0 HB THR A 48 -17.117 13.041 -19.098 1.00 0.00 H new ATOM 0 HG1 THR A 48 -18.516 14.828 -19.680 1.00 0.00 H new ATOM 0 HG21 THR A 48 -16.370 14.735 -20.728 1.00 0.00 H new ATOM 0 HG22 THR A 48 -15.731 13.121 -21.118 1.00 0.00 H new ATOM 0 HG23 THR A 48 -17.098 13.784 -22.044 1.00 0.00 H new ATOM 746 N HIS A 49 -19.858 12.324 -21.930 1.00 0.00 N ATOM 747 CA HIS A 49 -20.595 12.455 -23.182 1.00 0.00 C ATOM 748 C HIS A 49 -19.731 13.111 -24.255 1.00 0.00 C ATOM 749 O HIS A 49 -19.867 12.812 -25.441 1.00 0.00 O ATOM 750 CB HIS A 49 -21.868 13.273 -22.965 1.00 0.00 C ATOM 751 CG HIS A 49 -22.924 12.545 -22.193 1.00 0.00 C ATOM 752 ND1 HIS A 49 -23.502 13.050 -21.047 1.00 0.00 N ATOM 753 CD2 HIS A 49 -23.509 11.343 -22.408 1.00 0.00 C ATOM 754 CE1 HIS A 49 -24.394 12.190 -20.590 1.00 0.00 C ATOM 755 NE2 HIS A 49 -24.418 11.145 -21.399 1.00 0.00 N ATOM 0 H HIS A 49 -20.341 12.702 -21.115 1.00 0.00 H new ATOM 0 HA HIS A 49 -20.868 11.456 -23.521 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -21.614 14.193 -22.438 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -22.273 13.563 -23.934 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -23.299 10.666 -23.223 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -25.001 12.319 -19.706 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -25.015 10.325 -21.291 1.00 0.00 H new ATOM 763 N GLN A 50 -18.845 14.005 -23.830 1.00 0.00 N ATOM 764 CA GLN A 50 -17.961 14.703 -24.756 1.00 0.00 C ATOM 765 C GLN A 50 -17.002 13.729 -25.432 1.00 0.00 C ATOM 766 O GLN A 50 -16.709 13.857 -26.621 1.00 0.00 O ATOM 767 CB GLN A 50 -17.170 15.787 -24.020 1.00 0.00 C ATOM 768 CG GLN A 50 -17.237 17.149 -24.691 1.00 0.00 C ATOM 769 CD GLN A 50 -18.352 18.016 -24.141 1.00 0.00 C ATOM 770 OE1 GLN A 50 -19.516 17.613 -24.122 1.00 0.00 O ATOM 771 NE2 GLN A 50 -18.003 19.215 -23.690 1.00 0.00 N ATOM 0 H GLN A 50 -18.720 14.263 -22.851 1.00 0.00 H new ATOM 0 HA GLN A 50 -18.577 15.170 -25.524 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -17.549 15.874 -23.002 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -16.127 15.478 -23.947 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -16.284 17.662 -24.559 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -17.381 17.015 -25.763 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -17.027 19.509 -23.725 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -18.711 19.842 -23.309 1.00 0.00 H new ATOM 780 N GLU A 51 -16.517 12.756 -24.667 1.00 0.00 N ATOM 781 CA GLU A 51 -15.590 11.761 -25.194 1.00 0.00 C ATOM 782 C GLU A 51 -16.319 10.752 -26.076 1.00 0.00 C ATOM 783 O GLU A 51 -15.869 10.434 -27.177 1.00 0.00 O ATOM 784 CB GLU A 51 -14.880 11.036 -24.049 1.00 0.00 C ATOM 785 CG GLU A 51 -13.961 11.933 -23.237 1.00 0.00 C ATOM 786 CD GLU A 51 -12.502 11.768 -23.615 1.00 0.00 C ATOM 787 OE1 GLU A 51 -12.228 11.424 -24.784 1.00 0.00 O ATOM 788 OE2 GLU A 51 -11.634 11.984 -22.744 1.00 0.00 O ATOM 0 H GLU A 51 -16.750 12.636 -23.681 1.00 0.00 H new ATOM 0 HA GLU A 51 -14.848 12.279 -25.802 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -15.628 10.601 -23.386 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -14.299 10.210 -24.458 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -14.254 12.973 -23.381 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -14.085 11.710 -22.177 1.00 0.00 H new ATOM 795 N LEU A 52 -17.446 10.251 -25.583 1.00 0.00 N ATOM 796 CA LEU A 52 -18.239 9.276 -26.325 1.00 0.00 C ATOM 797 C LEU A 52 -18.645 9.829 -27.688 1.00 0.00 C ATOM 798 O LEU A 52 -18.736 9.087 -28.666 1.00 0.00 O ATOM 799 CB LEU A 52 -19.485 8.890 -25.527 1.00 0.00 C ATOM 800 CG LEU A 52 -19.303 7.777 -24.494 1.00 0.00 C ATOM 801 CD1 LEU A 52 -20.540 7.654 -23.618 1.00 0.00 C ATOM 802 CD2 LEU A 52 -19.000 6.454 -25.183 1.00 0.00 C ATOM 0 H LEU A 52 -17.832 10.503 -24.673 1.00 0.00 H new ATOM 0 HA LEU A 52 -17.626 8.388 -26.481 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -19.853 9.778 -25.013 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -20.261 8.584 -26.229 1.00 0.00 H new ATOM 0 HG LEU A 52 -18.457 8.034 -23.857 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -20.392 6.857 -22.889 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -20.712 8.596 -23.096 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -21.404 7.421 -24.240 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -18.874 5.674 -24.433 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -19.825 6.191 -25.845 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -18.084 6.549 -25.766 1.00 0.00 H new ATOM 814 N GLU A 53 -18.885 11.135 -27.744 1.00 0.00 N ATOM 815 CA GLU A 53 -19.279 11.786 -28.987 1.00 0.00 C ATOM 816 C GLU A 53 -18.151 11.726 -30.014 1.00 0.00 C ATOM 817 O GLU A 53 -18.393 11.550 -31.208 1.00 0.00 O ATOM 818 CB GLU A 53 -19.668 13.242 -28.726 1.00 0.00 C ATOM 819 CG GLU A 53 -20.845 13.718 -29.562 1.00 0.00 C ATOM 820 CD GLU A 53 -20.745 15.186 -29.927 1.00 0.00 C ATOM 821 OE1 GLU A 53 -20.461 16.004 -29.027 1.00 0.00 O ATOM 822 OE2 GLU A 53 -20.952 15.517 -31.113 1.00 0.00 O ATOM 0 H GLU A 53 -18.813 11.763 -26.943 1.00 0.00 H new ATOM 0 HA GLU A 53 -20.142 11.254 -29.388 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -19.912 13.360 -27.670 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -18.808 13.881 -28.928 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -20.902 13.124 -30.474 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -21.770 13.546 -29.011 1.00 0.00 H new ATOM 829 N ASP A 54 -16.919 11.876 -29.540 1.00 0.00 N ATOM 830 CA ASP A 54 -15.754 11.839 -30.415 1.00 0.00 C ATOM 831 C ASP A 54 -15.580 10.454 -31.031 1.00 0.00 C ATOM 832 O ASP A 54 -15.146 10.322 -32.176 1.00 0.00 O ATOM 833 CB ASP A 54 -14.494 12.227 -29.639 1.00 0.00 C ATOM 834 CG ASP A 54 -13.528 13.043 -30.475 1.00 0.00 C ATOM 835 OD1 ASP A 54 -13.658 13.027 -31.717 1.00 0.00 O ATOM 836 OD2 ASP A 54 -12.641 13.698 -29.887 1.00 0.00 O ATOM 0 H ASP A 54 -16.702 12.024 -28.555 1.00 0.00 H new ATOM 0 HA ASP A 54 -15.912 12.557 -31.219 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -14.777 12.798 -28.755 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -13.994 11.324 -29.289 1.00 0.00 H new ATOM 841 N LEU A 55 -15.922 9.424 -30.264 1.00 0.00 N ATOM 842 CA LEU A 55 -15.803 8.048 -30.734 1.00 0.00 C ATOM 843 C LEU A 55 -16.852 7.744 -31.799 1.00 0.00 C ATOM 844 O LEU A 55 -16.636 6.909 -32.677 1.00 0.00 O ATOM 845 CB LEU A 55 -15.951 7.074 -29.563 1.00 0.00 C ATOM 846 CG LEU A 55 -14.799 7.054 -28.558 1.00 0.00 C ATOM 847 CD1 LEU A 55 -15.330 6.890 -27.142 1.00 0.00 C ATOM 848 CD2 LEU A 55 -13.818 5.941 -28.893 1.00 0.00 C ATOM 0 H LEU A 55 -16.284 9.516 -29.315 1.00 0.00 H new ATOM 0 HA LEU A 55 -14.815 7.925 -31.178 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -16.869 7.317 -29.028 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -16.073 6.069 -29.966 1.00 0.00 H new ATOM 0 HG LEU A 55 -14.272 8.006 -28.619 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -14.496 6.878 -26.440 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -15.993 7.722 -26.904 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -15.882 5.953 -27.067 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -13.005 5.942 -28.167 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -14.332 4.981 -28.860 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -13.413 6.102 -29.892 1.00 0.00 H new ATOM 860 N GLY A 56 -17.988 8.429 -31.716 1.00 0.00 N ATOM 861 CA GLY A 56 -19.053 8.219 -32.680 1.00 0.00 C ATOM 862 C GLY A 56 -20.404 8.028 -32.019 1.00 0.00 C ATOM 863 O GLY A 56 -21.444 8.193 -32.657 1.00 0.00 O ATOM 0 H GLY A 56 -18.190 9.126 -30.999 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -19.100 9.073 -33.356 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -18.822 7.344 -33.287 1.00 0.00 H new ATOM 867 N VAL A 57 -20.389 7.677 -30.737 1.00 0.00 N ATOM 868 CA VAL A 57 -21.622 7.463 -29.989 1.00 0.00 C ATOM 869 C VAL A 57 -22.439 8.747 -29.896 1.00 0.00 C ATOM 870 O VAL A 57 -22.233 9.561 -28.996 1.00 0.00 O ATOM 871 CB VAL A 57 -21.334 6.946 -28.567 1.00 0.00 C ATOM 872 CG1 VAL A 57 -22.626 6.549 -27.871 1.00 0.00 C ATOM 873 CG2 VAL A 57 -20.362 5.777 -28.613 1.00 0.00 C ATOM 0 H VAL A 57 -19.537 7.535 -30.195 1.00 0.00 H new ATOM 0 HA VAL A 57 -22.194 6.711 -30.532 1.00 0.00 H new ATOM 0 HB VAL A 57 -20.873 7.750 -27.993 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -22.402 6.186 -26.868 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -23.285 7.415 -27.805 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -23.119 5.761 -28.440 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -20.169 5.424 -27.600 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -20.793 4.968 -29.203 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -19.426 6.100 -29.069 1.00 0.00 H new ATOM 883 N SER A 58 -23.367 8.920 -30.831 1.00 0.00 N ATOM 884 CA SER A 58 -24.214 10.107 -30.856 1.00 0.00 C ATOM 885 C SER A 58 -25.498 9.876 -30.066 1.00 0.00 C ATOM 886 O SER A 58 -26.025 10.792 -29.435 1.00 0.00 O ATOM 887 CB SER A 58 -24.552 10.488 -32.299 1.00 0.00 C ATOM 888 OG SER A 58 -24.920 9.347 -33.055 1.00 0.00 O ATOM 0 H SER A 58 -23.552 8.254 -31.581 1.00 0.00 H new ATOM 0 HA SER A 58 -23.664 10.925 -30.390 1.00 0.00 H new ATOM 0 HB2 SER A 58 -25.367 11.211 -32.306 1.00 0.00 H new ATOM 0 HB3 SER A 58 -23.692 10.973 -32.761 1.00 0.00 H new ATOM 0 HG SER A 58 -25.133 9.617 -33.973 1.00 0.00 H new ATOM 894 N ARG A 59 -25.996 8.644 -30.105 1.00 0.00 N ATOM 895 CA ARG A 59 -27.219 8.291 -29.394 1.00 0.00 C ATOM 896 C ARG A 59 -27.102 8.630 -27.911 1.00 0.00 C ATOM 897 O ARG A 59 -26.025 8.979 -27.427 1.00 0.00 O ATOM 898 CB ARG A 59 -27.521 6.801 -29.565 1.00 0.00 C ATOM 899 CG ARG A 59 -28.726 6.522 -30.449 1.00 0.00 C ATOM 900 CD ARG A 59 -28.367 6.607 -31.924 1.00 0.00 C ATOM 901 NE ARG A 59 -28.853 5.452 -32.673 1.00 0.00 N ATOM 902 CZ ARG A 59 -28.554 5.223 -33.947 1.00 0.00 C ATOM 903 NH1 ARG A 59 -27.773 6.065 -34.609 1.00 0.00 N ATOM 904 NH2 ARG A 59 -29.035 4.149 -34.560 1.00 0.00 N ATOM 0 H ARG A 59 -25.571 7.874 -30.621 1.00 0.00 H new ATOM 0 HA ARG A 59 -28.038 8.872 -29.819 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -26.647 6.308 -29.990 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -27.691 6.358 -28.584 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -29.120 5.531 -30.226 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -29.517 7.238 -30.224 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -28.790 7.518 -32.348 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -27.285 6.678 -32.030 1.00 0.00 H new ATOM 0 HE ARG A 59 -29.455 4.784 -32.192 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -27.400 6.891 -34.140 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -27.545 5.887 -35.587 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -29.635 3.498 -34.053 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -28.805 3.974 -35.538 1.00 0.00 H new ATOM 918 N ILE A 60 -28.217 8.526 -27.196 1.00 0.00 N ATOM 919 CA ILE A 60 -28.240 8.821 -25.769 1.00 0.00 C ATOM 920 C ILE A 60 -28.394 7.547 -24.946 1.00 0.00 C ATOM 921 O ILE A 60 -27.684 7.340 -23.963 1.00 0.00 O ATOM 922 CB ILE A 60 -29.383 9.790 -25.412 1.00 0.00 C ATOM 923 CG1 ILE A 60 -29.238 11.095 -26.199 1.00 0.00 C ATOM 924 CG2 ILE A 60 -29.396 10.066 -23.916 1.00 0.00 C ATOM 925 CD1 ILE A 60 -27.937 11.820 -25.933 1.00 0.00 C ATOM 0 H ILE A 60 -29.117 8.240 -27.582 1.00 0.00 H new ATOM 0 HA ILE A 60 -27.287 9.292 -25.530 1.00 0.00 H new ATOM 0 HB ILE A 60 -30.331 9.326 -25.684 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -29.312 10.877 -27.264 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -30.069 11.754 -25.950 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -30.209 10.752 -23.680 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -29.541 9.131 -23.375 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -28.447 10.513 -23.620 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -27.903 12.735 -26.524 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -27.869 12.069 -24.874 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -27.100 11.179 -26.209 1.00 0.00 H new ATOM 937 N GLY A 61 -29.327 6.693 -25.357 1.00 0.00 N ATOM 938 CA GLY A 61 -29.556 5.448 -24.648 1.00 0.00 C ATOM 939 C GLY A 61 -28.323 4.567 -24.608 1.00 0.00 C ATOM 940 O GLY A 61 -28.143 3.781 -23.678 1.00 0.00 O ATOM 0 H GLY A 61 -29.928 6.841 -26.168 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -29.875 5.667 -23.629 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -30.371 4.905 -25.127 1.00 0.00 H new ATOM 944 N HIS A 62 -27.472 4.698 -25.620 1.00 0.00 N ATOM 945 CA HIS A 62 -26.249 3.907 -25.697 1.00 0.00 C ATOM 946 C HIS A 62 -25.170 4.483 -24.785 1.00 0.00 C ATOM 947 O HIS A 62 -24.448 3.742 -24.118 1.00 0.00 O ATOM 948 CB HIS A 62 -25.739 3.855 -27.138 1.00 0.00 C ATOM 949 CG HIS A 62 -26.753 3.340 -28.113 1.00 0.00 C ATOM 950 ND1 HIS A 62 -26.766 3.698 -29.445 1.00 0.00 N ATOM 951 CD2 HIS A 62 -27.790 2.488 -27.945 1.00 0.00 C ATOM 952 CE1 HIS A 62 -27.768 3.090 -30.053 1.00 0.00 C ATOM 953 NE2 HIS A 62 -28.406 2.349 -29.164 1.00 0.00 N ATOM 0 H HIS A 62 -27.606 5.344 -26.398 1.00 0.00 H new ATOM 0 HA HIS A 62 -26.480 2.895 -25.364 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -25.430 4.855 -27.442 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -24.853 3.221 -27.179 1.00 0.00 H new ATOM 0 HD1 HIS A 62 -26.104 4.334 -29.891 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -28.080 2.006 -27.023 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -28.023 3.182 -31.098 1.00 0.00 H new ATOM 961 N GLN A 63 -25.068 5.808 -24.760 1.00 0.00 N ATOM 962 CA GLN A 63 -24.077 6.482 -23.930 1.00 0.00 C ATOM 963 C GLN A 63 -24.214 6.064 -22.470 1.00 0.00 C ATOM 964 O GLN A 63 -23.225 5.747 -21.810 1.00 0.00 O ATOM 965 CB GLN A 63 -24.224 7.999 -24.055 1.00 0.00 C ATOM 966 CG GLN A 63 -23.792 8.544 -25.407 1.00 0.00 C ATOM 967 CD GLN A 63 -24.043 10.032 -25.544 1.00 0.00 C ATOM 968 OE1 GLN A 63 -25.073 10.543 -25.104 1.00 0.00 O ATOM 969 NE2 GLN A 63 -23.100 10.738 -26.157 1.00 0.00 N ATOM 0 H GLN A 63 -25.659 6.436 -25.305 1.00 0.00 H new ATOM 0 HA GLN A 63 -23.087 6.190 -24.280 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -25.265 8.270 -23.879 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -23.634 8.478 -23.274 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -22.731 8.344 -25.553 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -24.327 8.015 -26.195 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -22.262 10.274 -26.507 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -23.214 11.744 -26.278 1.00 0.00 H new ATOM 978 N GLU A 64 -25.447 6.065 -21.973 1.00 0.00 N ATOM 979 CA GLU A 64 -25.713 5.687 -20.590 1.00 0.00 C ATOM 980 C GLU A 64 -25.460 4.198 -20.375 1.00 0.00 C ATOM 981 O GLU A 64 -24.987 3.783 -19.316 1.00 0.00 O ATOM 982 CB GLU A 64 -27.155 6.031 -20.212 1.00 0.00 C ATOM 983 CG GLU A 64 -27.302 7.385 -19.539 1.00 0.00 C ATOM 984 CD GLU A 64 -27.277 7.291 -18.026 1.00 0.00 C ATOM 985 OE1 GLU A 64 -26.170 7.310 -17.449 1.00 0.00 O ATOM 986 OE2 GLU A 64 -28.365 7.197 -17.419 1.00 0.00 O ATOM 0 H GLU A 64 -26.277 6.323 -22.507 1.00 0.00 H new ATOM 0 HA GLU A 64 -25.034 6.249 -19.949 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -27.771 6.013 -21.111 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -27.541 5.260 -19.545 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -26.498 8.041 -19.872 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -28.239 7.844 -19.855 1.00 0.00 H new ATOM 993 N LEU A 65 -25.779 3.398 -21.387 1.00 0.00 N ATOM 994 CA LEU A 65 -25.588 1.954 -21.310 1.00 0.00 C ATOM 995 C LEU A 65 -24.153 1.614 -20.922 1.00 0.00 C ATOM 996 O LEU A 65 -23.911 0.684 -20.152 1.00 0.00 O ATOM 997 CB LEU A 65 -25.934 1.302 -22.650 1.00 0.00 C ATOM 998 CG LEU A 65 -27.327 0.680 -22.754 1.00 0.00 C ATOM 999 CD1 LEU A 65 -27.661 0.359 -24.202 1.00 0.00 C ATOM 1000 CD2 LEU A 65 -27.418 -0.572 -21.894 1.00 0.00 C ATOM 0 H LEU A 65 -26.171 3.725 -22.270 1.00 0.00 H new ATOM 0 HA LEU A 65 -26.255 1.565 -20.540 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -25.834 2.053 -23.433 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -25.196 0.527 -22.856 1.00 0.00 H new ATOM 0 HG LEU A 65 -28.055 1.403 -22.386 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -28.656 -0.083 -24.257 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -27.638 1.275 -24.792 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -26.929 -0.346 -24.597 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -28.416 -1.001 -21.980 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -26.680 -1.300 -22.231 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -27.223 -0.313 -20.853 1.00 0.00 H new ATOM 1012 N ILE A 66 -23.205 2.376 -21.457 1.00 0.00 N ATOM 1013 CA ILE A 66 -21.794 2.157 -21.164 1.00 0.00 C ATOM 1014 C ILE A 66 -21.438 2.659 -19.769 1.00 0.00 C ATOM 1015 O ILE A 66 -20.841 1.936 -18.970 1.00 0.00 O ATOM 1016 CB ILE A 66 -20.889 2.858 -22.195 1.00 0.00 C ATOM 1017 CG1 ILE A 66 -21.237 2.393 -23.611 1.00 0.00 C ATOM 1018 CG2 ILE A 66 -19.425 2.586 -21.887 1.00 0.00 C ATOM 1019 CD1 ILE A 66 -20.615 3.244 -24.696 1.00 0.00 C ATOM 0 H ILE A 66 -23.388 3.150 -22.095 1.00 0.00 H new ATOM 0 HA ILE A 66 -21.625 1.081 -21.215 1.00 0.00 H new ATOM 0 HB ILE A 66 -21.059 3.933 -22.134 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -20.909 1.361 -23.737 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -22.320 2.400 -23.731 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -18.799 3.088 -22.624 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -19.187 2.962 -20.892 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -19.239 1.513 -21.923 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -20.904 2.857 -25.673 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -20.963 4.272 -24.596 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -19.529 3.217 -24.602 1.00 0.00 H new ATOM 1031 N LEU A 67 -21.810 3.901 -19.480 1.00 0.00 N ATOM 1032 CA LEU A 67 -21.533 4.500 -18.179 1.00 0.00 C ATOM 1033 C LEU A 67 -22.067 3.624 -17.051 1.00 0.00 C ATOM 1034 O LEU A 67 -21.362 3.348 -16.080 1.00 0.00 O ATOM 1035 CB LEU A 67 -22.156 5.895 -18.095 1.00 0.00 C ATOM 1036 CG LEU A 67 -21.675 6.909 -19.134 1.00 0.00 C ATOM 1037 CD1 LEU A 67 -22.636 8.084 -19.217 1.00 0.00 C ATOM 1038 CD2 LEU A 67 -20.270 7.388 -18.802 1.00 0.00 C ATOM 0 H LEU A 67 -22.304 4.513 -20.129 1.00 0.00 H new ATOM 0 HA LEU A 67 -20.452 4.584 -18.068 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -23.237 5.794 -18.189 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -21.958 6.300 -17.103 1.00 0.00 H new ATOM 0 HG LEU A 67 -21.648 6.419 -20.107 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -22.278 8.795 -19.961 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -23.625 7.726 -19.504 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -22.696 8.575 -18.245 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -19.945 8.109 -19.552 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -20.269 7.861 -17.820 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -19.588 6.538 -18.796 1.00 0.00 H new ATOM 1050 N GLU A 68 -23.315 3.187 -17.187 1.00 0.00 N ATOM 1051 CA GLU A 68 -23.942 2.340 -16.179 1.00 0.00 C ATOM 1052 C GLU A 68 -23.063 1.135 -15.858 1.00 0.00 C ATOM 1053 O GLU A 68 -23.080 0.621 -14.741 1.00 0.00 O ATOM 1054 CB GLU A 68 -25.316 1.870 -16.660 1.00 0.00 C ATOM 1055 CG GLU A 68 -26.021 0.947 -15.679 1.00 0.00 C ATOM 1056 CD GLU A 68 -25.779 -0.519 -15.981 1.00 0.00 C ATOM 1057 OE1 GLU A 68 -26.113 -0.956 -17.102 1.00 0.00 O ATOM 1058 OE2 GLU A 68 -25.256 -1.229 -15.097 1.00 0.00 O ATOM 0 H GLU A 68 -23.912 3.405 -17.985 1.00 0.00 H new ATOM 0 HA GLU A 68 -24.065 2.930 -15.271 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -25.945 2.741 -16.843 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -25.201 1.354 -17.613 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -25.678 1.167 -14.668 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -27.092 1.147 -15.703 1.00 0.00 H new ATOM 1065 N ALA A 69 -22.296 0.689 -16.848 1.00 0.00 N ATOM 1066 CA ALA A 69 -21.409 -0.454 -16.672 1.00 0.00 C ATOM 1067 C ALA A 69 -20.103 -0.038 -16.003 1.00 0.00 C ATOM 1068 O ALA A 69 -19.565 -0.762 -15.165 1.00 0.00 O ATOM 1069 CB ALA A 69 -21.129 -1.117 -18.012 1.00 0.00 C ATOM 0 H ALA A 69 -22.271 1.102 -17.780 1.00 0.00 H new ATOM 0 HA ALA A 69 -21.908 -1.172 -16.021 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -20.465 -1.969 -17.865 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -22.066 -1.459 -18.452 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -20.655 -0.399 -18.681 1.00 0.00 H new ATOM 1075 N VAL A 70 -19.598 1.133 -16.378 1.00 0.00 N ATOM 1076 CA VAL A 70 -18.355 1.645 -15.814 1.00 0.00 C ATOM 1077 C VAL A 70 -18.461 1.801 -14.302 1.00 0.00 C ATOM 1078 O VAL A 70 -17.469 1.675 -13.583 1.00 0.00 O ATOM 1079 CB VAL A 70 -17.975 3.003 -16.434 1.00 0.00 C ATOM 1080 CG1 VAL A 70 -16.694 3.535 -15.811 1.00 0.00 C ATOM 1081 CG2 VAL A 70 -17.832 2.878 -17.944 1.00 0.00 C ATOM 0 H VAL A 70 -20.031 1.745 -17.070 1.00 0.00 H new ATOM 0 HA VAL A 70 -17.578 0.917 -16.047 1.00 0.00 H new ATOM 0 HB VAL A 70 -18.774 3.714 -16.225 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -16.442 4.495 -16.262 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -16.838 3.664 -14.738 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -15.883 2.828 -15.986 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -17.563 3.847 -18.365 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -17.053 2.152 -18.177 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -18.777 2.545 -18.373 1.00 0.00 H new ATOM 1091 N ASP A 71 -19.670 2.077 -13.824 1.00 0.00 N ATOM 1092 CA ASP A 71 -19.907 2.249 -12.396 1.00 0.00 C ATOM 1093 C ASP A 71 -19.486 1.004 -11.621 1.00 0.00 C ATOM 1094 O ASP A 71 -18.818 1.097 -10.591 1.00 0.00 O ATOM 1095 CB ASP A 71 -21.383 2.552 -12.135 1.00 0.00 C ATOM 1096 CG ASP A 71 -21.606 3.245 -10.805 1.00 0.00 C ATOM 1097 OD1 ASP A 71 -20.671 3.253 -9.977 1.00 0.00 O ATOM 1098 OD2 ASP A 71 -22.715 3.778 -10.591 1.00 0.00 O ATOM 0 H ASP A 71 -20.501 2.186 -14.405 1.00 0.00 H new ATOM 0 HA ASP A 71 -19.305 3.090 -12.052 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -21.769 3.180 -12.938 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -21.951 1.622 -12.156 1.00 0.00 H new ATOM 1103 N LEU A 72 -19.882 -0.161 -12.123 1.00 0.00 N ATOM 1104 CA LEU A 72 -19.548 -1.426 -11.478 1.00 0.00 C ATOM 1105 C LEU A 72 -18.036 -1.614 -11.400 1.00 0.00 C ATOM 1106 O LEU A 72 -17.512 -2.121 -10.407 1.00 0.00 O ATOM 1107 CB LEU A 72 -20.180 -2.592 -12.238 1.00 0.00 C ATOM 1108 CG LEU A 72 -21.618 -2.944 -11.854 1.00 0.00 C ATOM 1109 CD1 LEU A 72 -21.661 -3.570 -10.468 1.00 0.00 C ATOM 1110 CD2 LEU A 72 -22.503 -1.707 -11.910 1.00 0.00 C ATOM 0 H LEU A 72 -20.435 -0.256 -12.975 1.00 0.00 H new ATOM 0 HA LEU A 72 -19.946 -1.405 -10.464 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -20.156 -2.361 -13.303 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -19.559 -3.475 -12.089 1.00 0.00 H new ATOM 0 HG LEU A 72 -21.999 -3.671 -12.571 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -22.692 -3.814 -10.211 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -21.060 -4.479 -10.461 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -21.262 -2.866 -9.738 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -23.522 -1.976 -11.634 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -22.125 -0.957 -11.215 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -22.496 -1.300 -12.921 1.00 0.00 H new ATOM 1122 N LEU A 73 -17.339 -1.201 -12.453 1.00 0.00 N ATOM 1123 CA LEU A 73 -15.886 -1.323 -12.505 1.00 0.00 C ATOM 1124 C LEU A 73 -15.239 -0.625 -11.312 1.00 0.00 C ATOM 1125 O LEU A 73 -14.204 -1.064 -10.810 1.00 0.00 O ATOM 1126 CB LEU A 73 -15.351 -0.730 -13.809 1.00 0.00 C ATOM 1127 CG LEU A 73 -14.982 -1.734 -14.901 1.00 0.00 C ATOM 1128 CD1 LEU A 73 -14.617 -1.012 -16.189 1.00 0.00 C ATOM 1129 CD2 LEU A 73 -13.835 -2.623 -14.443 1.00 0.00 C ATOM 0 H LEU A 73 -17.756 -0.779 -13.282 1.00 0.00 H new ATOM 0 HA LEU A 73 -15.633 -2.382 -12.465 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -16.101 -0.048 -14.209 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -14.468 -0.134 -13.578 1.00 0.00 H new ATOM 0 HG LEU A 73 -15.849 -2.365 -15.095 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -14.357 -1.743 -16.955 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -15.467 -0.419 -16.527 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -13.765 -0.356 -16.010 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -13.586 -3.331 -15.233 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -12.964 -2.007 -14.220 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -14.133 -3.168 -13.547 1.00 0.00 H new ATOM 1141 N CYS A 74 -15.857 0.462 -10.863 1.00 0.00 N ATOM 1142 CA CYS A 74 -15.342 1.220 -9.728 1.00 0.00 C ATOM 1143 C CYS A 74 -15.860 0.648 -8.413 1.00 0.00 C ATOM 1144 O CYS A 74 -15.163 0.669 -7.399 1.00 0.00 O ATOM 1145 CB CYS A 74 -15.739 2.692 -9.850 1.00 0.00 C ATOM 1146 SG CYS A 74 -14.527 3.843 -9.158 1.00 0.00 S ATOM 0 H CYS A 74 -16.715 0.838 -11.267 1.00 0.00 H new ATOM 0 HA CYS A 74 -14.255 1.143 -9.733 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -15.891 2.930 -10.903 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -16.695 2.842 -9.348 1.00 0.00 H new ATOM 0 HG CYS A 74 -14.951 5.063 -9.310 1.00 0.00 H new ATOM 1152 N ALA A 75 -17.087 0.139 -8.437 1.00 0.00 N ATOM 1153 CA ALA A 75 -17.698 -0.439 -7.246 1.00 0.00 C ATOM 1154 C ALA A 75 -16.899 -1.637 -6.746 1.00 0.00 C ATOM 1155 O ALA A 75 -16.542 -1.710 -5.569 1.00 0.00 O ATOM 1156 CB ALA A 75 -19.136 -0.844 -7.535 1.00 0.00 C ATOM 0 H ALA A 75 -17.678 0.115 -9.268 1.00 0.00 H new ATOM 0 HA ALA A 75 -17.696 0.318 -6.462 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -19.580 -1.274 -6.637 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -19.707 0.033 -7.838 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -19.152 -1.582 -8.337 1.00 0.00 H new ATOM 1162 N LEU A 76 -16.621 -2.574 -7.645 1.00 0.00 N ATOM 1163 CA LEU A 76 -15.864 -3.771 -7.294 1.00 0.00 C ATOM 1164 C LEU A 76 -14.545 -3.403 -6.622 1.00 0.00 C ATOM 1165 O LEU A 76 -14.021 -4.160 -5.806 1.00 0.00 O ATOM 1166 CB LEU A 76 -15.596 -4.612 -8.543 1.00 0.00 C ATOM 1167 CG LEU A 76 -16.472 -5.853 -8.717 1.00 0.00 C ATOM 1168 CD1 LEU A 76 -16.567 -6.237 -10.186 1.00 0.00 C ATOM 1169 CD2 LEU A 76 -15.926 -7.012 -7.896 1.00 0.00 C ATOM 0 H LEU A 76 -16.908 -2.528 -8.623 1.00 0.00 H new ATOM 0 HA LEU A 76 -16.458 -4.355 -6.591 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -15.724 -3.976 -9.419 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -14.553 -4.927 -8.527 1.00 0.00 H new ATOM 0 HG LEU A 76 -17.474 -5.620 -8.357 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -17.194 -7.122 -10.291 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -17.005 -5.413 -10.750 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -15.570 -6.451 -10.571 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -16.563 -7.886 -8.033 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -14.913 -7.246 -8.225 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -15.911 -6.736 -6.842 1.00 0.00 H new ATOM 1181 N ASN A 77 -14.016 -2.234 -6.969 1.00 0.00 N ATOM 1182 CA ASN A 77 -12.759 -1.765 -6.397 1.00 0.00 C ATOM 1183 C ASN A 77 -13.006 -0.974 -5.116 1.00 0.00 C ATOM 1184 O ASN A 77 -13.098 0.253 -5.139 1.00 0.00 O ATOM 1185 CB ASN A 77 -12.008 -0.896 -7.408 1.00 0.00 C ATOM 1186 CG ASN A 77 -11.079 -1.708 -8.290 1.00 0.00 C ATOM 1187 OD1 ASN A 77 -9.863 -1.706 -8.098 1.00 0.00 O ATOM 1188 ND2 ASN A 77 -11.650 -2.408 -9.264 1.00 0.00 N ATOM 0 H ASN A 77 -14.438 -1.595 -7.643 1.00 0.00 H new ATOM 0 HA ASN A 77 -12.152 -2.637 -6.154 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -12.727 -0.366 -8.033 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -11.431 -0.140 -6.875 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -11.076 -2.974 -9.890 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -12.662 -2.380 -9.386 1.00 0.00 H new ATOM 1195 N SER A 78 -13.111 -1.687 -3.998 1.00 0.00 N ATOM 1196 CA SER A 78 -13.351 -1.053 -2.707 1.00 0.00 C ATOM 1197 C SER A 78 -12.878 -1.949 -1.566 1.00 0.00 C ATOM 1198 O SER A 78 -12.998 -3.171 -1.631 1.00 0.00 O ATOM 1199 CB SER A 78 -14.838 -0.735 -2.539 1.00 0.00 C ATOM 1200 OG SER A 78 -15.641 -1.841 -2.912 1.00 0.00 O ATOM 0 H SER A 78 -13.034 -2.703 -3.961 1.00 0.00 H new ATOM 0 HA SER A 78 -12.783 -0.123 -2.675 1.00 0.00 H new ATOM 0 HB2 SER A 78 -15.041 -0.467 -1.502 1.00 0.00 H new ATOM 0 HB3 SER A 78 -15.099 0.130 -3.148 1.00 0.00 H new ATOM 0 HG SER A 78 -15.925 -1.739 -3.844 1.00 0.00 H new ATOM 1206 N GLY A 79 -12.340 -1.330 -0.520 1.00 0.00 N ATOM 1207 CA GLY A 79 -11.856 -2.085 0.621 1.00 0.00 C ATOM 1208 C GLY A 79 -11.258 -1.196 1.694 1.00 0.00 C ATOM 1209 O GLY A 79 -11.017 -0.008 1.482 1.00 0.00 O ATOM 0 H GLY A 79 -12.231 -0.319 -0.442 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -12.678 -2.660 1.047 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -11.105 -2.801 0.287 1.00 0.00 H new ATOM 1213 N PRO A 80 -11.012 -1.776 2.878 1.00 0.00 N ATOM 1214 CA PRO A 80 -10.436 -1.046 4.012 1.00 0.00 C ATOM 1215 C PRO A 80 -8.976 -0.672 3.780 1.00 0.00 C ATOM 1216 O PRO A 80 -8.202 -1.462 3.240 1.00 0.00 O ATOM 1217 CB PRO A 80 -10.557 -2.039 5.170 1.00 0.00 C ATOM 1218 CG PRO A 80 -10.579 -3.379 4.520 1.00 0.00 C ATOM 1219 CD PRO A 80 -11.275 -3.188 3.201 1.00 0.00 C ATOM 0 HA PRO A 80 -10.946 -0.099 4.189 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -9.718 -1.947 5.859 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -11.465 -1.864 5.748 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -9.568 -3.760 4.376 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -11.108 -4.104 5.139 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -10.878 -3.856 2.437 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -12.343 -3.391 3.277 1.00 0.00 H new ATOM 1227 N SER A 81 -8.607 0.536 4.192 1.00 0.00 N ATOM 1228 CA SER A 81 -7.240 1.016 4.026 1.00 0.00 C ATOM 1229 C SER A 81 -6.470 0.927 5.340 1.00 0.00 C ATOM 1230 O SER A 81 -5.593 1.747 5.614 1.00 0.00 O ATOM 1231 CB SER A 81 -7.241 2.459 3.518 1.00 0.00 C ATOM 1232 OG SER A 81 -8.524 2.832 3.044 1.00 0.00 O ATOM 0 H SER A 81 -9.235 1.201 4.643 1.00 0.00 H new ATOM 0 HA SER A 81 -6.745 0.381 3.291 1.00 0.00 H new ATOM 0 HB2 SER A 81 -6.937 3.131 4.321 1.00 0.00 H new ATOM 0 HB3 SER A 81 -6.509 2.567 2.718 1.00 0.00 H new ATOM 0 HG SER A 81 -8.499 3.759 2.727 1.00 0.00 H new ATOM 1238 N SER A 82 -6.804 -0.073 6.148 1.00 0.00 N ATOM 1239 CA SER A 82 -6.148 -0.268 7.436 1.00 0.00 C ATOM 1240 C SER A 82 -6.057 -1.751 7.780 1.00 0.00 C ATOM 1241 O SER A 82 -4.969 -2.285 7.990 1.00 0.00 O ATOM 1242 CB SER A 82 -6.905 0.478 8.536 1.00 0.00 C ATOM 1243 OG SER A 82 -6.720 -0.145 9.795 1.00 0.00 O ATOM 0 H SER A 82 -7.525 -0.762 5.934 1.00 0.00 H new ATOM 0 HA SER A 82 -5.137 0.133 7.366 1.00 0.00 H new ATOM 0 HB2 SER A 82 -6.559 1.511 8.583 1.00 0.00 H new ATOM 0 HB3 SER A 82 -7.967 0.508 8.294 1.00 0.00 H new ATOM 0 HG SER A 82 -7.213 0.352 10.481 1.00 0.00 H new ATOM 1249 N GLY A 83 -7.210 -2.411 7.837 1.00 0.00 N ATOM 1250 CA GLY A 83 -7.239 -3.826 8.157 1.00 0.00 C ATOM 1251 C GLY A 83 -7.719 -4.092 9.570 1.00 0.00 C ATOM 1252 O GLY A 83 -7.322 -5.077 10.192 1.00 0.00 O ATOM 0 H GLY A 83 -8.124 -1.991 7.667 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -7.891 -4.341 7.452 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -6.240 -4.244 8.031 1.00 0.00 H new TER 1256 GLY A 83