USER MOD reduce.3.24.130724 H: found=0, std=0, add=677, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 673 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 88 ASN : amide:sc= -2.94! C(o=-2.5!,f=-5.5!) USER MOD Set 1.2: A 90 SER OG : rot 160:sc= 0.213 USER MOD Set 1.3: A 95 ASN : amide:sc= 0.189 X(o=-2.5,f=-2.9) USER MOD Set 2.1: A 31 TYR OH : rot 30:sc= -1 USER MOD Set 2.2: A 65 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 28 ASN : amide:sc= -4.44! C(o=-4.2!,f=-6.1!) USER MOD Set 3.2: A 81 THR OG1 : rot -119:sc= 0.239 USER MOD Single : A 1 ALA N :NH3+ 172:sc= 0 (180deg=-0.036) USER MOD Single : A 2 THR OG1 : rot 180:sc= -0.914 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 16:sc= 0.757 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=-0.025) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -0.246 K(o=-0.25,f=-1.1) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -0.877 X(o=-0.88,f=-0.55) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 ASN : amide:sc= -0.463 K(o=-0.46,f=-2.2) USER MOD Single : A 53 THR OG1 : rot 180:sc= -2.4! USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 HIS : no HD1:sc= -6.4! C(o=-6.4!,f=-6.9!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 MET CE :methyl -116:sc= -9.39! (180deg=-14.1!) USER MOD Single : A 63 ASN : amide:sc= -1.35 K(o=-1.3,f=-3.9!) USER MOD Single : A 66 TYR OH : rot 30:sc= -0.367 USER MOD Single : A 67 GLN : amide:sc= -8.63! C(o=-8.6!,f=-4.2!) USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 72 ASN : amide:sc= -2.22 X(o=-2.2,f=-2.3) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= -10.5! C(o=-10!,f=-18!) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= -0.0796 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 ASN : amide:sc= -0.0883 X(o=-0.088,f=-0.18) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 43:sc= 0.063 USER MOD Single : A 101 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 16.433 -1.018 37.315 1.00 0.15 N ATOM 2 CA ALA A 1 15.077 -1.431 37.655 1.00 21.11 C ATOM 3 C ALA A 1 14.100 -1.079 36.539 1.00 70.35 C ATOM 4 O ALA A 1 13.000 -0.588 36.793 1.00 12.13 O ATOM 5 CB ALA A 1 14.641 -0.787 38.963 1.00 62.11 C ATOM 0 H1 ALA A 1 17.052 -1.145 38.141 1.00 0.15 H new ATOM 0 H2 ALA A 1 16.785 -1.598 36.527 1.00 0.15 H new ATOM 0 H3 ALA A 1 16.431 -0.017 37.034 1.00 0.15 H new ATOM 0 HA ALA A 1 15.074 -2.514 37.777 1.00 21.11 H new ATOM 0 HB1 ALA A 1 13.627 -1.104 39.204 1.00 62.11 H new ATOM 0 HB2 ALA A 1 15.317 -1.093 39.762 1.00 62.11 H new ATOM 0 HB3 ALA A 1 14.667 0.298 38.861 1.00 62.11 H new ATOM 11 N THR A 2 14.509 -1.333 35.299 1.00 15.10 N ATOM 12 CA THR A 2 13.670 -1.041 34.143 1.00 21.22 C ATOM 13 C THR A 2 13.550 -2.256 33.231 1.00 71.35 C ATOM 14 O THR A 2 14.505 -3.005 33.024 1.00 4.21 O ATOM 15 CB THR A 2 14.226 0.144 33.331 1.00 74.21 C ATOM 16 OG1 THR A 2 13.361 0.428 32.226 1.00 52.43 O ATOM 17 CG2 THR A 2 15.626 -0.159 32.821 1.00 63.35 C ATOM 0 H THR A 2 15.416 -1.740 35.070 1.00 15.10 H new ATOM 0 HA THR A 2 12.684 -0.779 34.526 1.00 21.22 H new ATOM 0 HB THR A 2 14.276 1.014 33.986 1.00 74.21 H new ATOM 0 HG1 THR A 2 13.720 1.184 31.715 1.00 52.43 H new ATOM 0 HG21 THR A 2 15.998 0.692 32.251 1.00 63.35 H new ATOM 0 HG22 THR A 2 16.288 -0.347 33.666 1.00 63.35 H new ATOM 0 HG23 THR A 2 15.597 -1.040 32.180 1.00 63.35 H new ATOM 25 N PRO A 3 12.349 -2.459 32.669 1.00 33.11 N ATOM 26 CA PRO A 3 12.076 -3.582 31.768 1.00 72.44 C ATOM 27 C PRO A 3 12.787 -3.435 30.427 1.00 72.53 C ATOM 28 O PRO A 3 12.470 -2.545 29.638 1.00 55.34 O ATOM 29 CB PRO A 3 10.558 -3.524 31.577 1.00 1.24 C ATOM 30 CG PRO A 3 10.200 -2.100 31.828 1.00 15.21 C ATOM 31 CD PRO A 3 11.165 -1.607 32.871 1.00 73.14 C ATOM 0 HA PRO A 3 12.432 -4.528 32.177 1.00 72.44 H new ATOM 0 HB2 PRO A 3 10.273 -3.833 30.571 1.00 1.24 H new ATOM 0 HB3 PRO A 3 10.046 -4.190 32.272 1.00 1.24 H new ATOM 0 HG2 PRO A 3 10.279 -1.511 30.914 1.00 15.21 H new ATOM 0 HG3 PRO A 3 9.171 -2.012 32.176 1.00 15.21 H new ATOM 0 HD2 PRO A 3 11.401 -0.552 32.734 1.00 73.14 H new ATOM 0 HD3 PRO A 3 10.759 -1.715 33.877 1.00 73.14 H new ATOM 39 N THR A 4 13.751 -4.316 30.173 1.00 14.54 N ATOM 40 CA THR A 4 14.507 -4.283 28.928 1.00 21.31 C ATOM 41 C THR A 4 13.633 -4.678 27.743 1.00 31.24 C ATOM 42 O THR A 4 13.047 -5.760 27.707 1.00 74.20 O ATOM 43 CB THR A 4 15.727 -5.222 28.987 1.00 34.42 C ATOM 44 OG1 THR A 4 16.563 -4.870 30.094 1.00 3.35 O ATOM 45 CG2 THR A 4 16.528 -5.150 27.696 1.00 22.22 C ATOM 0 H THR A 4 14.026 -5.061 30.814 1.00 14.54 H new ATOM 0 HA THR A 4 14.852 -3.258 28.795 1.00 21.31 H new ATOM 0 HB THR A 4 15.366 -6.243 29.115 1.00 34.42 H new ATOM 0 HG1 THR A 4 17.335 -5.473 30.125 1.00 3.35 H new ATOM 0 HG21 THR A 4 17.384 -5.821 27.761 1.00 22.22 H new ATOM 0 HG22 THR A 4 15.896 -5.448 26.859 1.00 22.22 H new ATOM 0 HG23 THR A 4 16.878 -4.129 27.541 1.00 22.22 H new ATOM 53 N PRO A 5 13.542 -3.782 26.749 1.00 20.23 N ATOM 54 CA PRO A 5 12.742 -4.016 25.544 1.00 71.15 C ATOM 55 C PRO A 5 13.344 -5.094 24.649 1.00 73.15 C ATOM 56 O PRO A 5 14.214 -4.816 23.823 1.00 70.24 O ATOM 57 CB PRO A 5 12.763 -2.659 24.835 1.00 65.41 C ATOM 58 CG PRO A 5 14.013 -2.003 25.311 1.00 1.03 C ATOM 59 CD PRO A 5 14.214 -2.472 26.726 1.00 71.12 C ATOM 0 HA PRO A 5 11.740 -4.372 25.783 1.00 71.15 H new ATOM 0 HB2 PRO A 5 12.766 -2.778 23.752 1.00 65.41 H new ATOM 0 HB3 PRO A 5 11.884 -2.066 25.088 1.00 65.41 H new ATOM 0 HG2 PRO A 5 14.861 -2.278 24.684 1.00 1.03 H new ATOM 0 HG3 PRO A 5 13.925 -0.917 25.269 1.00 1.03 H new ATOM 0 HD2 PRO A 5 15.272 -2.558 26.974 1.00 71.12 H new ATOM 0 HD3 PRO A 5 13.773 -1.781 27.445 1.00 71.12 H new ATOM 67 N THR A 6 12.875 -6.327 24.817 1.00 54.40 N ATOM 68 CA THR A 6 13.367 -7.447 24.025 1.00 11.41 C ATOM 69 C THR A 6 12.536 -7.634 22.761 1.00 52.41 C ATOM 70 O THR A 6 11.310 -7.521 22.773 1.00 51.43 O ATOM 71 CB THR A 6 13.351 -8.757 24.835 1.00 61.04 C ATOM 72 OG1 THR A 6 14.229 -8.648 25.960 1.00 2.04 O ATOM 73 CG2 THR A 6 13.773 -9.934 23.968 1.00 43.32 C ATOM 0 H THR A 6 12.154 -6.575 25.495 1.00 54.40 H new ATOM 0 HA THR A 6 14.395 -7.212 23.749 1.00 11.41 H new ATOM 0 HB THR A 6 12.333 -8.930 25.185 1.00 61.04 H new ATOM 0 HG1 THR A 6 14.212 -9.484 26.471 1.00 2.04 H new ATOM 0 HG21 THR A 6 13.754 -10.848 24.561 1.00 43.32 H new ATOM 0 HG22 THR A 6 13.085 -10.032 23.128 1.00 43.32 H new ATOM 0 HG23 THR A 6 14.782 -9.766 23.593 1.00 43.32 H new ATOM 81 N PRO A 7 13.216 -7.927 21.643 1.00 72.23 N ATOM 82 CA PRO A 7 12.559 -8.137 20.349 1.00 22.40 C ATOM 83 C PRO A 7 11.750 -9.429 20.313 1.00 73.10 C ATOM 84 O PRO A 7 11.602 -10.110 21.328 1.00 60.31 O ATOM 85 CB PRO A 7 13.730 -8.212 19.365 1.00 35.12 C ATOM 86 CG PRO A 7 14.887 -8.665 20.187 1.00 52.41 C ATOM 87 CD PRO A 7 14.678 -8.077 21.555 1.00 21.13 C ATOM 0 HA PRO A 7 11.843 -7.347 20.122 1.00 22.40 H new ATOM 0 HB2 PRO A 7 13.522 -8.911 18.555 1.00 35.12 H new ATOM 0 HB3 PRO A 7 13.925 -7.242 18.907 1.00 35.12 H new ATOM 0 HG2 PRO A 7 14.931 -9.753 20.232 1.00 52.41 H new ATOM 0 HG3 PRO A 7 15.829 -8.325 19.756 1.00 52.41 H new ATOM 0 HD2 PRO A 7 15.062 -8.732 22.337 1.00 21.13 H new ATOM 0 HD3 PRO A 7 15.187 -7.119 21.663 1.00 21.13 H new ATOM 95 N LYS A 8 11.227 -9.762 19.138 1.00 51.55 N ATOM 96 CA LYS A 8 10.433 -10.973 18.968 1.00 42.23 C ATOM 97 C LYS A 8 10.877 -11.745 17.729 1.00 13.40 C ATOM 98 O LYS A 8 10.658 -11.304 16.601 1.00 65.32 O ATOM 99 CB LYS A 8 8.947 -10.623 18.859 1.00 45.34 C ATOM 100 CG LYS A 8 8.210 -10.681 20.185 1.00 10.42 C ATOM 101 CD LYS A 8 7.501 -12.012 20.372 1.00 42.35 C ATOM 102 CE LYS A 8 8.263 -12.920 21.324 1.00 30.23 C ATOM 103 NZ LYS A 8 8.591 -14.231 20.698 1.00 52.21 N ATOM 0 H LYS A 8 11.339 -9.209 18.288 1.00 51.55 H new ATOM 0 HA LYS A 8 10.587 -11.604 19.843 1.00 42.23 H new ATOM 0 HB2 LYS A 8 8.848 -9.621 18.441 1.00 45.34 H new ATOM 0 HB3 LYS A 8 8.471 -11.309 18.158 1.00 45.34 H new ATOM 0 HG2 LYS A 8 8.915 -10.526 21.001 1.00 10.42 H new ATOM 0 HG3 LYS A 8 7.483 -9.870 20.234 1.00 10.42 H new ATOM 0 HD2 LYS A 8 6.496 -11.839 20.758 1.00 42.35 H new ATOM 0 HD3 LYS A 8 7.391 -12.506 19.406 1.00 42.35 H new ATOM 0 HE2 LYS A 8 9.183 -12.427 21.637 1.00 30.23 H new ATOM 0 HE3 LYS A 8 7.668 -13.085 22.222 1.00 30.23 H new ATOM 0 HZ1 LYS A 8 9.110 -14.821 21.379 1.00 52.21 H new ATOM 0 HZ2 LYS A 8 7.712 -14.713 20.422 1.00 52.21 H new ATOM 0 HZ3 LYS A 8 9.180 -14.076 19.855 1.00 52.21 H new ATOM 117 N ALA A 9 11.499 -12.899 17.948 1.00 51.54 N ATOM 118 CA ALA A 9 11.969 -13.733 16.849 1.00 44.21 C ATOM 119 C ALA A 9 10.800 -14.319 16.065 1.00 41.11 C ATOM 120 O ALA A 9 9.661 -14.306 16.529 1.00 14.12 O ATOM 121 CB ALA A 9 12.864 -14.845 17.376 1.00 10.22 C ATOM 0 H ALA A 9 11.689 -13.277 18.876 1.00 51.54 H new ATOM 0 HA ALA A 9 12.548 -13.105 16.172 1.00 44.21 H new ATOM 0 HB1 ALA A 9 13.208 -15.460 16.544 1.00 10.22 H new ATOM 0 HB2 ALA A 9 13.724 -14.410 17.885 1.00 10.22 H new ATOM 0 HB3 ALA A 9 12.302 -15.463 18.077 1.00 10.22 H new ATOM 127 N ALA A 10 11.090 -14.832 14.874 1.00 42.55 N ATOM 128 CA ALA A 10 10.063 -15.423 14.026 1.00 73.41 C ATOM 129 C ALA A 10 9.361 -16.576 14.737 1.00 43.13 C ATOM 130 O ALA A 10 9.860 -17.100 15.731 1.00 24.34 O ATOM 131 CB ALA A 10 10.670 -15.901 12.715 1.00 3.31 C ATOM 0 H ALA A 10 12.028 -14.850 14.475 1.00 42.55 H new ATOM 0 HA ALA A 10 9.319 -14.656 13.811 1.00 73.41 H new ATOM 0 HB1 ALA A 10 9.891 -16.340 12.092 1.00 3.31 H new ATOM 0 HB2 ALA A 10 11.119 -15.056 12.193 1.00 3.31 H new ATOM 0 HB3 ALA A 10 11.435 -16.649 12.920 1.00 3.31 H new ATOM 137 N GLY A 11 8.200 -16.965 14.220 1.00 72.24 N ATOM 138 CA GLY A 11 7.448 -18.053 14.819 1.00 45.34 C ATOM 139 C GLY A 11 6.848 -17.674 16.158 1.00 54.34 C ATOM 140 O GLY A 11 7.564 -17.277 17.077 1.00 55.42 O ATOM 0 H GLY A 11 7.766 -16.547 13.397 1.00 72.24 H new ATOM 0 HA2 GLY A 11 6.651 -18.357 14.140 1.00 45.34 H new ATOM 0 HA3 GLY A 11 8.102 -18.915 14.948 1.00 45.34 H new ATOM 144 N SER A 12 5.529 -17.795 16.268 1.00 15.31 N ATOM 145 CA SER A 12 4.831 -17.456 17.503 1.00 73.50 C ATOM 146 C SER A 12 3.480 -18.163 17.575 1.00 42.22 C ATOM 147 O SER A 12 2.623 -17.975 16.711 1.00 20.44 O ATOM 148 CB SER A 12 4.633 -15.943 17.604 1.00 43.31 C ATOM 149 OG SER A 12 5.857 -15.286 17.886 1.00 62.53 O ATOM 0 H SER A 12 4.922 -18.125 15.517 1.00 15.31 H new ATOM 0 HA SER A 12 5.443 -17.791 18.340 1.00 73.50 H new ATOM 0 HB2 SER A 12 4.220 -15.564 16.669 1.00 43.31 H new ATOM 0 HB3 SER A 12 3.908 -15.719 18.387 1.00 43.31 H new ATOM 0 HG SER A 12 6.604 -15.896 17.711 1.00 62.53 H new ATOM 155 N TRP A 13 3.299 -18.975 18.610 1.00 41.21 N ATOM 156 CA TRP A 13 2.053 -19.710 18.795 1.00 1.04 C ATOM 157 C TRP A 13 1.562 -19.594 20.234 1.00 33.11 C ATOM 158 O TRP A 13 2.220 -20.060 21.165 1.00 50.41 O ATOM 159 CB TRP A 13 2.246 -21.182 18.426 1.00 14.22 C ATOM 160 CG TRP A 13 2.698 -21.385 17.012 1.00 61.11 C ATOM 161 CD1 TRP A 13 1.964 -21.901 15.983 1.00 73.14 C ATOM 162 CD2 TRP A 13 3.988 -21.078 16.472 1.00 22.03 C ATOM 163 NE1 TRP A 13 2.720 -21.933 14.836 1.00 74.44 N ATOM 164 CE2 TRP A 13 3.965 -21.433 15.109 1.00 20.14 C ATOM 165 CE3 TRP A 13 5.160 -20.536 17.007 1.00 11.11 C ATOM 166 CZ2 TRP A 13 5.069 -21.264 14.278 1.00 73.05 C ATOM 167 CZ3 TRP A 13 6.254 -20.369 16.180 1.00 5.03 C ATOM 168 CH2 TRP A 13 6.203 -20.731 14.828 1.00 73.13 C ATOM 0 H TRP A 13 3.999 -19.141 19.334 1.00 41.21 H new ATOM 0 HA TRP A 13 1.301 -19.274 18.138 1.00 1.04 H new ATOM 0 HB2 TRP A 13 2.978 -21.626 19.101 1.00 14.22 H new ATOM 0 HB3 TRP A 13 1.307 -21.714 18.580 1.00 14.22 H new ATOM 0 HD1 TRP A 13 0.940 -22.235 16.059 1.00 73.14 H new ATOM 0 HE1 TRP A 13 2.405 -22.274 13.928 1.00 74.44 H new ATOM 0 HE3 TRP A 13 5.209 -20.253 18.048 1.00 11.11 H new ATOM 0 HZ2 TRP A 13 5.032 -21.544 13.236 1.00 73.05 H new ATOM 0 HZ3 TRP A 13 7.165 -19.952 16.583 1.00 5.03 H new ATOM 0 HH2 TRP A 13 7.075 -20.587 14.208 1.00 73.13 H new ATOM 179 N CYS A 14 0.401 -18.971 20.410 1.00 4.01 N ATOM 180 CA CYS A 14 -0.179 -18.794 21.736 1.00 44.42 C ATOM 181 C CYS A 14 -1.030 -19.999 22.123 1.00 71.32 C ATOM 182 O CYS A 14 -2.165 -20.144 21.668 1.00 41.43 O ATOM 183 CB CYS A 14 -1.027 -17.521 21.778 1.00 33.41 C ATOM 184 SG CYS A 14 -0.827 -16.544 23.302 1.00 3.02 S ATOM 0 H CYS A 14 -0.157 -18.580 19.651 1.00 4.01 H new ATOM 0 HA CYS A 14 0.637 -18.703 22.453 1.00 44.42 H new ATOM 0 HB2 CYS A 14 -0.769 -16.897 20.923 1.00 33.41 H new ATOM 0 HB3 CYS A 14 -2.077 -17.793 21.669 1.00 33.41 H new ATOM 189 N VAL A 15 -0.474 -20.863 22.966 1.00 31.24 N ATOM 190 CA VAL A 15 -1.182 -22.056 23.416 1.00 10.23 C ATOM 191 C VAL A 15 -0.761 -22.445 24.829 1.00 45.02 C ATOM 192 O VAL A 15 0.347 -22.148 25.277 1.00 40.20 O ATOM 193 CB VAL A 15 -0.933 -23.246 22.472 1.00 64.44 C ATOM 194 CG1 VAL A 15 -1.031 -22.806 21.019 1.00 11.51 C ATOM 195 CG2 VAL A 15 0.423 -23.876 22.755 1.00 33.44 C ATOM 0 H VAL A 15 0.465 -20.759 23.351 1.00 31.24 H new ATOM 0 HA VAL A 15 -2.245 -21.814 23.410 1.00 10.23 H new ATOM 0 HB VAL A 15 -1.703 -23.996 22.652 1.00 64.44 H new ATOM 0 HG11 VAL A 15 -0.852 -23.661 20.367 1.00 11.51 H new ATOM 0 HG12 VAL A 15 -2.026 -22.405 20.827 1.00 11.51 H new ATOM 0 HG13 VAL A 15 -0.285 -22.036 20.821 1.00 11.51 H new ATOM 0 HG21 VAL A 15 0.582 -24.716 22.079 1.00 33.44 H new ATOM 0 HG22 VAL A 15 1.207 -23.134 22.604 1.00 33.44 H new ATOM 0 HG23 VAL A 15 0.452 -24.230 23.786 1.00 33.44 H new ATOM 205 N PRO A 16 -1.664 -23.127 25.549 1.00 45.10 N ATOM 206 CA PRO A 16 -1.408 -23.573 26.922 1.00 43.12 C ATOM 207 C PRO A 16 -0.370 -24.688 26.985 1.00 61.40 C ATOM 208 O PRO A 16 -0.504 -25.714 26.317 1.00 31.13 O ATOM 209 CB PRO A 16 -2.773 -24.085 27.388 1.00 24.34 C ATOM 210 CG PRO A 16 -3.480 -24.472 26.136 1.00 73.30 C ATOM 211 CD PRO A 16 -3.004 -23.516 25.078 1.00 4.54 C ATOM 0 HA PRO A 16 -1.003 -22.773 27.542 1.00 43.12 H new ATOM 0 HB2 PRO A 16 -2.668 -24.935 28.062 1.00 24.34 H new ATOM 0 HB3 PRO A 16 -3.321 -23.314 27.930 1.00 24.34 H new ATOM 0 HG2 PRO A 16 -3.252 -25.502 25.862 1.00 73.30 H new ATOM 0 HG3 PRO A 16 -4.561 -24.407 26.262 1.00 73.30 H new ATOM 0 HD2 PRO A 16 -2.964 -23.990 24.097 1.00 4.54 H new ATOM 0 HD3 PRO A 16 -3.665 -22.654 24.989 1.00 4.54 H new ATOM 219 N LYS A 17 0.665 -24.482 27.792 1.00 22.10 N ATOM 220 CA LYS A 17 1.726 -25.471 27.945 1.00 50.34 C ATOM 221 C LYS A 17 1.148 -26.842 28.278 1.00 73.31 C ATOM 222 O LYS A 17 0.678 -27.091 29.388 1.00 34.23 O ATOM 223 CB LYS A 17 2.702 -25.037 29.041 1.00 51.13 C ATOM 224 CG LYS A 17 4.159 -25.098 28.617 1.00 41.03 C ATOM 225 CD LYS A 17 4.709 -26.511 28.714 1.00 4.10 C ATOM 226 CE LYS A 17 5.763 -26.773 27.649 1.00 22.30 C ATOM 227 NZ LYS A 17 6.720 -27.836 28.065 1.00 34.10 N ATOM 0 H LYS A 17 0.792 -23.638 28.351 1.00 22.10 H new ATOM 0 HA LYS A 17 2.261 -25.542 26.998 1.00 50.34 H new ATOM 0 HB2 LYS A 17 2.463 -24.018 29.346 1.00 51.13 H new ATOM 0 HB3 LYS A 17 2.560 -25.673 29.915 1.00 51.13 H new ATOM 0 HG2 LYS A 17 4.256 -24.738 27.593 1.00 41.03 H new ATOM 0 HG3 LYS A 17 4.750 -24.432 29.246 1.00 41.03 H new ATOM 0 HD2 LYS A 17 5.142 -26.667 29.702 1.00 4.10 H new ATOM 0 HD3 LYS A 17 3.895 -27.228 28.606 1.00 4.10 H new ATOM 0 HE2 LYS A 17 5.275 -27.067 26.720 1.00 22.30 H new ATOM 0 HE3 LYS A 17 6.309 -25.852 27.445 1.00 22.30 H new ATOM 0 HZ1 LYS A 17 7.422 -27.985 27.312 1.00 34.10 H new ATOM 0 HZ2 LYS A 17 7.205 -27.545 28.938 1.00 34.10 H new ATOM 0 HZ3 LYS A 17 6.202 -28.722 28.236 1.00 34.10 H new ATOM 241 N PRO A 18 1.183 -27.755 27.296 1.00 62.03 N ATOM 242 CA PRO A 18 0.668 -29.117 27.462 1.00 25.53 C ATOM 243 C PRO A 18 1.531 -29.952 28.403 1.00 63.25 C ATOM 244 O PRO A 18 2.348 -30.759 27.960 1.00 74.04 O ATOM 245 CB PRO A 18 0.715 -29.690 26.044 1.00 64.35 C ATOM 246 CG PRO A 18 1.780 -28.909 25.354 1.00 10.54 C ATOM 247 CD PRO A 18 1.729 -27.528 25.947 1.00 1.52 C ATOM 0 HA PRO A 18 -0.327 -29.125 27.906 1.00 25.53 H new ATOM 0 HB2 PRO A 18 0.949 -30.755 26.055 1.00 64.35 H new ATOM 0 HB3 PRO A 18 -0.246 -29.580 25.541 1.00 64.35 H new ATOM 0 HG2 PRO A 18 2.759 -29.364 25.507 1.00 10.54 H new ATOM 0 HG3 PRO A 18 1.607 -28.879 24.278 1.00 10.54 H new ATOM 0 HD2 PRO A 18 2.718 -27.071 25.986 1.00 1.52 H new ATOM 0 HD3 PRO A 18 1.093 -26.863 25.363 1.00 1.52 H new ATOM 255 N GLY A 19 1.344 -29.753 29.704 1.00 43.22 N ATOM 256 CA GLY A 19 2.113 -30.495 30.686 1.00 52.01 C ATOM 257 C GLY A 19 2.057 -29.864 32.063 1.00 32.21 C ATOM 258 O GLY A 19 3.091 -29.554 32.654 1.00 0.15 O ATOM 0 H GLY A 19 0.674 -29.091 30.096 1.00 43.22 H new ATOM 0 HA2 GLY A 19 1.736 -31.516 30.742 1.00 52.01 H new ATOM 0 HA3 GLY A 19 3.151 -30.556 30.360 1.00 52.01 H new ATOM 262 N VAL A 20 0.845 -29.672 32.576 1.00 64.14 N ATOM 263 CA VAL A 20 0.658 -29.073 33.892 1.00 62.42 C ATOM 264 C VAL A 20 -0.707 -29.429 34.468 1.00 35.43 C ATOM 265 O VAL A 20 -1.508 -30.106 33.823 1.00 60.02 O ATOM 266 CB VAL A 20 0.796 -27.540 33.836 1.00 72.33 C ATOM 267 CG1 VAL A 20 2.260 -27.133 33.893 1.00 62.02 C ATOM 268 CG2 VAL A 20 0.130 -26.992 32.583 1.00 13.50 C ATOM 0 H VAL A 20 -0.021 -29.923 32.100 1.00 64.14 H new ATOM 0 HA VAL A 20 1.438 -29.477 34.537 1.00 62.42 H new ATOM 0 HB VAL A 20 0.292 -27.115 34.704 1.00 72.33 H new ATOM 0 HG11 VAL A 20 2.337 -26.047 33.852 1.00 62.02 H new ATOM 0 HG12 VAL A 20 2.702 -27.494 34.822 1.00 62.02 H new ATOM 0 HG13 VAL A 20 2.791 -27.567 33.046 1.00 62.02 H new ATOM 0 HG21 VAL A 20 0.237 -25.907 32.559 1.00 13.50 H new ATOM 0 HG22 VAL A 20 0.604 -27.423 31.701 1.00 13.50 H new ATOM 0 HG23 VAL A 20 -0.928 -27.252 32.590 1.00 13.50 H new ATOM 278 N SER A 21 -0.967 -28.969 35.688 1.00 54.54 N ATOM 279 CA SER A 21 -2.236 -29.241 36.353 1.00 2.05 C ATOM 280 C SER A 21 -3.412 -28.864 35.457 1.00 23.24 C ATOM 281 O SER A 21 -3.569 -27.704 35.076 1.00 63.45 O ATOM 282 CB SER A 21 -2.319 -28.472 37.673 1.00 3.33 C ATOM 283 OG SER A 21 -1.359 -28.947 38.602 1.00 53.13 O ATOM 0 H SER A 21 -0.316 -28.406 36.236 1.00 54.54 H new ATOM 0 HA SER A 21 -2.288 -30.310 36.559 1.00 2.05 H new ATOM 0 HB2 SER A 21 -2.157 -27.410 37.489 1.00 3.33 H new ATOM 0 HB3 SER A 21 -3.319 -28.574 38.095 1.00 3.33 H new ATOM 0 HG SER A 21 -1.432 -28.438 39.436 1.00 53.13 H new ATOM 289 N ASP A 22 -4.235 -29.853 35.126 1.00 41.32 N ATOM 290 CA ASP A 22 -5.398 -29.626 34.275 1.00 22.55 C ATOM 291 C ASP A 22 -6.249 -28.480 34.812 1.00 4.41 C ATOM 292 O ASP A 22 -6.805 -27.694 34.044 1.00 21.24 O ATOM 293 CB ASP A 22 -6.240 -30.900 34.177 1.00 43.40 C ATOM 294 CG ASP A 22 -5.706 -31.867 33.139 1.00 33.51 C ATOM 295 OD1 ASP A 22 -5.004 -31.415 32.211 1.00 44.11 O ATOM 296 OD2 ASP A 22 -5.991 -33.078 33.255 1.00 1.44 O ATOM 0 H ASP A 22 -4.119 -30.819 35.433 1.00 41.32 H new ATOM 0 HA ASP A 22 -5.043 -29.356 33.280 1.00 22.55 H new ATOM 0 HB2 ASP A 22 -6.264 -31.392 35.149 1.00 43.40 H new ATOM 0 HB3 ASP A 22 -7.268 -30.635 33.928 1.00 43.40 H new ATOM 301 N ASP A 23 -6.346 -28.390 36.134 1.00 62.21 N ATOM 302 CA ASP A 23 -7.129 -27.339 36.774 1.00 61.53 C ATOM 303 C ASP A 23 -6.610 -25.960 36.381 1.00 12.40 C ATOM 304 O ASP A 23 -7.324 -24.964 36.492 1.00 12.45 O ATOM 305 CB ASP A 23 -7.090 -27.499 38.294 1.00 2.14 C ATOM 306 CG ASP A 23 -8.446 -27.846 38.875 1.00 34.32 C ATOM 307 OD1 ASP A 23 -9.393 -27.053 38.689 1.00 3.43 O ATOM 308 OD2 ASP A 23 -8.562 -28.912 39.515 1.00 70.42 O ATOM 0 H ASP A 23 -5.892 -29.032 36.783 1.00 62.21 H new ATOM 0 HA ASP A 23 -8.161 -27.429 36.434 1.00 61.53 H new ATOM 0 HB2 ASP A 23 -6.375 -28.279 38.556 1.00 2.14 H new ATOM 0 HB3 ASP A 23 -6.731 -26.574 38.745 1.00 2.14 H new ATOM 313 N GLN A 24 -5.364 -25.910 35.923 1.00 63.14 N ATOM 314 CA GLN A 24 -4.749 -24.652 35.515 1.00 15.14 C ATOM 315 C GLN A 24 -5.242 -24.227 34.136 1.00 13.21 C ATOM 316 O GLN A 24 -5.638 -23.078 33.933 1.00 2.03 O ATOM 317 CB GLN A 24 -3.225 -24.783 35.507 1.00 35.03 C ATOM 318 CG GLN A 24 -2.625 -24.985 36.889 1.00 21.21 C ATOM 319 CD GLN A 24 -2.245 -23.679 37.557 1.00 12.54 C ATOM 320 OE1 GLN A 24 -1.354 -22.967 37.094 1.00 65.02 O ATOM 321 NE2 GLN A 24 -2.922 -23.355 38.653 1.00 21.22 N ATOM 0 H GLN A 24 -4.760 -26.726 35.825 1.00 63.14 H new ATOM 0 HA GLN A 24 -5.037 -23.886 36.235 1.00 15.14 H new ATOM 0 HB2 GLN A 24 -2.944 -25.623 34.872 1.00 35.03 H new ATOM 0 HB3 GLN A 24 -2.794 -23.887 35.060 1.00 35.03 H new ATOM 0 HG2 GLN A 24 -3.340 -25.515 37.517 1.00 21.21 H new ATOM 0 HG3 GLN A 24 -1.741 -25.618 36.808 1.00 21.21 H new ATOM 0 HE21 GLN A 24 -3.653 -23.974 39.003 1.00 21.22 H new ATOM 0 HE22 GLN A 24 -2.711 -22.487 39.145 1.00 21.22 H new ATOM 330 N LEU A 25 -5.216 -25.160 33.191 1.00 41.44 N ATOM 331 CA LEU A 25 -5.660 -24.882 31.829 1.00 1.31 C ATOM 332 C LEU A 25 -7.176 -24.729 31.771 1.00 15.35 C ATOM 333 O LEU A 25 -7.693 -23.731 31.267 1.00 4.44 O ATOM 334 CB LEU A 25 -5.213 -26.001 30.887 1.00 23.03 C ATOM 335 CG LEU A 25 -3.796 -26.534 31.104 1.00 70.42 C ATOM 336 CD1 LEU A 25 -2.943 -25.505 31.829 1.00 33.23 C ATOM 337 CD2 LEU A 25 -3.832 -27.843 31.880 1.00 44.11 C ATOM 0 H LEU A 25 -4.892 -26.115 33.342 1.00 41.44 H new ATOM 0 HA LEU A 25 -5.206 -23.944 31.510 1.00 1.31 H new ATOM 0 HB2 LEU A 25 -5.911 -26.832 30.985 1.00 23.03 H new ATOM 0 HB3 LEU A 25 -5.291 -25.639 29.862 1.00 23.03 H new ATOM 0 HG LEU A 25 -3.347 -26.725 30.129 1.00 70.42 H new ATOM 0 HD11 LEU A 25 -1.938 -25.902 31.974 1.00 33.23 H new ATOM 0 HD12 LEU A 25 -2.890 -24.593 31.235 1.00 33.23 H new ATOM 0 HD13 LEU A 25 -3.388 -25.281 32.798 1.00 33.23 H new ATOM 0 HD21 LEU A 25 -2.815 -28.208 32.025 1.00 44.11 H new ATOM 0 HD22 LEU A 25 -4.300 -27.678 32.850 1.00 44.11 H new ATOM 0 HD23 LEU A 25 -4.406 -28.582 31.321 1.00 44.11 H new ATOM 349 N THR A 26 -7.887 -25.724 32.293 1.00 21.11 N ATOM 350 CA THR A 26 -9.344 -25.700 32.302 1.00 30.22 C ATOM 351 C THR A 26 -9.869 -24.292 32.559 1.00 72.31 C ATOM 352 O THR A 26 -10.754 -23.811 31.852 1.00 4.32 O ATOM 353 CB THR A 26 -9.915 -26.652 33.371 1.00 42.52 C ATOM 354 OG1 THR A 26 -11.332 -26.779 33.207 1.00 3.40 O ATOM 355 CG2 THR A 26 -9.605 -26.142 34.770 1.00 3.02 C ATOM 0 H THR A 26 -7.477 -26.557 32.715 1.00 21.11 H new ATOM 0 HA THR A 26 -9.672 -26.033 31.317 1.00 30.22 H new ATOM 0 HB THR A 26 -9.446 -27.628 33.245 1.00 42.52 H new ATOM 0 HG1 THR A 26 -11.687 -27.387 33.889 1.00 3.40 H new ATOM 0 HG21 THR A 26 -10.018 -26.830 35.508 1.00 3.02 H new ATOM 0 HG22 THR A 26 -8.525 -26.074 34.901 1.00 3.02 H new ATOM 0 HG23 THR A 26 -10.050 -25.156 34.905 1.00 3.02 H new ATOM 363 N GLY A 27 -9.318 -23.636 33.575 1.00 2.13 N ATOM 364 CA GLY A 27 -9.743 -22.289 33.907 1.00 55.34 C ATOM 365 C GLY A 27 -9.843 -21.395 32.686 1.00 24.30 C ATOM 366 O GLY A 27 -10.784 -20.615 32.555 1.00 12.41 O ATOM 0 H GLY A 27 -8.584 -24.014 34.175 1.00 2.13 H new ATOM 0 HA2 GLY A 27 -10.712 -22.329 34.404 1.00 55.34 H new ATOM 0 HA3 GLY A 27 -9.039 -21.853 34.616 1.00 55.34 H new ATOM 370 N ASN A 28 -8.867 -21.509 31.791 1.00 70.04 N ATOM 371 CA ASN A 28 -8.847 -20.703 30.575 1.00 34.13 C ATOM 372 C ASN A 28 -10.211 -20.716 29.892 1.00 72.44 C ATOM 373 O ASN A 28 -10.913 -19.705 29.865 1.00 33.12 O ATOM 374 CB ASN A 28 -7.777 -21.221 29.613 1.00 43.45 C ATOM 375 CG ASN A 28 -6.471 -21.538 30.316 1.00 52.20 C ATOM 376 OD1 ASN A 28 -6.168 -20.975 31.368 1.00 23.42 O ATOM 377 ND2 ASN A 28 -5.691 -22.443 29.736 1.00 55.20 N ATOM 0 H ASN A 28 -8.080 -22.151 31.885 1.00 70.04 H new ATOM 0 HA ASN A 28 -8.609 -19.676 30.853 1.00 34.13 H new ATOM 0 HB2 ASN A 28 -8.145 -22.118 29.114 1.00 43.45 H new ATOM 0 HB3 ASN A 28 -7.598 -20.476 28.838 1.00 43.45 H new ATOM 0 HD21 ASN A 28 -4.800 -22.697 30.163 1.00 55.20 H new ATOM 0 HD22 ASN A 28 -5.983 -22.884 28.864 1.00 55.20 H new ATOM 384 N ILE A 29 -10.579 -21.868 29.341 1.00 75.04 N ATOM 385 CA ILE A 29 -11.859 -22.013 28.659 1.00 75.33 C ATOM 386 C ILE A 29 -12.967 -21.279 29.407 1.00 52.05 C ATOM 387 O ILE A 29 -13.630 -20.404 28.852 1.00 43.44 O ATOM 388 CB ILE A 29 -12.252 -23.495 28.508 1.00 51.10 C ATOM 389 CG1 ILE A 29 -11.317 -24.195 27.520 1.00 52.25 C ATOM 390 CG2 ILE A 29 -13.699 -23.616 28.053 1.00 0.33 C ATOM 391 CD1 ILE A 29 -11.589 -25.676 27.375 1.00 14.24 C ATOM 0 H ILE A 29 -10.009 -22.714 29.354 1.00 75.04 H new ATOM 0 HA ILE A 29 -11.740 -21.574 27.668 1.00 75.33 H new ATOM 0 HB ILE A 29 -12.155 -23.982 29.478 1.00 51.10 H new ATOM 0 HG12 ILE A 29 -11.411 -23.719 26.544 1.00 52.25 H new ATOM 0 HG13 ILE A 29 -10.286 -24.053 27.845 1.00 52.25 H new ATOM 0 HG21 ILE A 29 -13.961 -24.669 27.951 1.00 0.33 H new ATOM 0 HG22 ILE A 29 -14.352 -23.149 28.790 1.00 0.33 H new ATOM 0 HG23 ILE A 29 -13.821 -23.117 27.092 1.00 0.33 H new ATOM 0 HD11 ILE A 29 -10.889 -26.106 26.659 1.00 14.24 H new ATOM 0 HD12 ILE A 29 -11.466 -26.165 28.341 1.00 14.24 H new ATOM 0 HD13 ILE A 29 -12.609 -25.826 27.020 1.00 14.24 H new ATOM 403 N ASN A 30 -13.161 -21.641 30.671 1.00 70.15 N ATOM 404 CA ASN A 30 -14.188 -21.016 31.496 1.00 41.31 C ATOM 405 C ASN A 30 -14.152 -19.497 31.351 1.00 21.33 C ATOM 406 O ASN A 30 -15.193 -18.848 31.245 1.00 61.51 O ATOM 407 CB ASN A 30 -13.999 -21.404 32.964 1.00 65.03 C ATOM 408 CG ASN A 30 -14.772 -20.501 33.905 1.00 33.30 C ATOM 409 OD1 ASN A 30 -14.358 -19.376 34.185 1.00 64.41 O ATOM 410 ND2 ASN A 30 -15.903 -20.992 34.399 1.00 52.12 N ATOM 0 H ASN A 30 -12.620 -22.364 31.146 1.00 70.15 H new ATOM 0 HA ASN A 30 -15.160 -21.373 31.155 1.00 41.31 H new ATOM 0 HB2 ASN A 30 -14.321 -22.435 33.109 1.00 65.03 H new ATOM 0 HB3 ASN A 30 -12.939 -21.363 33.214 1.00 65.03 H new ATOM 0 HD21 ASN A 30 -16.466 -20.431 35.038 1.00 52.12 H new ATOM 0 HD22 ASN A 30 -16.208 -21.930 34.139 1.00 52.12 H new ATOM 417 N TYR A 31 -12.947 -18.937 31.348 1.00 73.53 N ATOM 418 CA TYR A 31 -12.775 -17.495 31.218 1.00 71.41 C ATOM 419 C TYR A 31 -13.047 -17.041 29.787 1.00 4.11 C ATOM 420 O TYR A 31 -13.918 -16.207 29.544 1.00 74.23 O ATOM 421 CB TYR A 31 -11.360 -17.090 31.634 1.00 61.23 C ATOM 422 CG TYR A 31 -10.876 -15.818 30.976 1.00 54.34 C ATOM 423 CD1 TYR A 31 -11.249 -14.573 31.468 1.00 53.01 C ATOM 424 CD2 TYR A 31 -10.048 -15.860 29.861 1.00 2.13 C ATOM 425 CE1 TYR A 31 -10.811 -13.408 30.870 1.00 43.53 C ATOM 426 CE2 TYR A 31 -9.603 -14.700 29.258 1.00 51.35 C ATOM 427 CZ TYR A 31 -9.987 -13.476 29.765 1.00 34.11 C ATOM 428 OH TYR A 31 -9.548 -12.318 29.166 1.00 62.13 O ATOM 0 H TYR A 31 -12.075 -19.460 31.434 1.00 73.53 H new ATOM 0 HA TYR A 31 -13.494 -17.008 31.877 1.00 71.41 H new ATOM 0 HB2 TYR A 31 -11.331 -16.963 32.716 1.00 61.23 H new ATOM 0 HB3 TYR A 31 -10.673 -17.900 31.389 1.00 61.23 H new ATOM 0 HD1 TYR A 31 -11.893 -14.516 32.333 1.00 53.01 H new ATOM 0 HD2 TYR A 31 -9.747 -16.816 29.459 1.00 2.13 H new ATOM 0 HE1 TYR A 31 -11.112 -12.449 31.265 1.00 43.53 H new ATOM 0 HE2 TYR A 31 -8.957 -14.751 28.394 1.00 51.35 H new ATOM 0 HH TYR A 31 -9.478 -11.608 29.838 1.00 62.13 H new ATOM 438 N ALA A 32 -12.293 -17.596 28.844 1.00 70.43 N ATOM 439 CA ALA A 32 -12.453 -17.251 27.437 1.00 60.44 C ATOM 440 C ALA A 32 -13.911 -17.366 27.006 1.00 52.14 C ATOM 441 O ALA A 32 -14.340 -16.718 26.050 1.00 65.11 O ATOM 442 CB ALA A 32 -11.573 -18.142 26.572 1.00 54.04 C ATOM 0 H ALA A 32 -11.565 -18.286 29.029 1.00 70.43 H new ATOM 0 HA ALA A 32 -12.143 -16.214 27.305 1.00 60.44 H new ATOM 0 HB1 ALA A 32 -11.702 -17.873 25.524 1.00 54.04 H new ATOM 0 HB2 ALA A 32 -10.529 -18.007 26.855 1.00 54.04 H new ATOM 0 HB3 ALA A 32 -11.856 -19.184 26.717 1.00 54.04 H new ATOM 448 N CYS A 33 -14.670 -18.194 27.716 1.00 61.25 N ATOM 449 CA CYS A 33 -16.080 -18.395 27.406 1.00 33.02 C ATOM 450 C CYS A 33 -16.898 -17.159 27.770 1.00 72.14 C ATOM 451 O CYS A 33 -18.120 -17.145 27.621 1.00 51.21 O ATOM 452 CB CYS A 33 -16.620 -19.615 28.155 1.00 25.32 C ATOM 453 SG CYS A 33 -17.654 -20.716 27.137 1.00 50.44 S ATOM 0 H CYS A 33 -14.332 -18.737 28.510 1.00 61.25 H new ATOM 0 HA CYS A 33 -16.169 -18.566 26.333 1.00 33.02 H new ATOM 0 HB2 CYS A 33 -15.780 -20.186 28.550 1.00 25.32 H new ATOM 0 HB3 CYS A 33 -17.204 -19.274 29.010 1.00 25.32 H new ATOM 458 N SER A 34 -16.215 -16.123 28.246 1.00 31.44 N ATOM 459 CA SER A 34 -16.878 -14.884 28.635 1.00 41.15 C ATOM 460 C SER A 34 -16.674 -13.804 27.576 1.00 25.12 C ATOM 461 O SER A 34 -17.066 -12.653 27.766 1.00 60.25 O ATOM 462 CB SER A 34 -16.347 -14.398 29.984 1.00 2.24 C ATOM 463 OG SER A 34 -17.398 -14.253 30.924 1.00 62.41 O ATOM 0 H SER A 34 -15.203 -16.117 28.372 1.00 31.44 H new ATOM 0 HA SER A 34 -17.946 -15.085 28.724 1.00 41.15 H new ATOM 0 HB2 SER A 34 -15.610 -15.105 30.364 1.00 2.24 H new ATOM 0 HB3 SER A 34 -15.836 -13.444 29.855 1.00 2.24 H new ATOM 0 HG SER A 34 -17.032 -13.943 31.779 1.00 62.41 H new ATOM 469 N GLN A 35 -16.057 -14.185 26.462 1.00 24.44 N ATOM 470 CA GLN A 35 -15.799 -13.250 25.374 1.00 71.12 C ATOM 471 C GLN A 35 -16.861 -13.375 24.286 1.00 13.55 C ATOM 472 O GLN A 35 -17.345 -12.373 23.760 1.00 33.50 O ATOM 473 CB GLN A 35 -14.412 -13.497 24.779 1.00 43.23 C ATOM 474 CG GLN A 35 -13.602 -12.226 24.577 1.00 64.40 C ATOM 475 CD GLN A 35 -14.472 -11.017 24.300 1.00 53.24 C ATOM 476 OE1 GLN A 35 -14.612 -10.131 25.144 1.00 63.15 O ATOM 477 NE2 GLN A 35 -15.064 -10.973 23.112 1.00 51.04 N ATOM 0 H GLN A 35 -15.727 -15.135 26.290 1.00 24.44 H new ATOM 0 HA GLN A 35 -15.838 -12.239 25.780 1.00 71.12 H new ATOM 0 HB2 GLN A 35 -13.859 -14.170 25.434 1.00 43.23 H new ATOM 0 HB3 GLN A 35 -14.522 -14.004 23.820 1.00 43.23 H new ATOM 0 HG2 GLN A 35 -12.999 -12.039 25.466 1.00 64.40 H new ATOM 0 HG3 GLN A 35 -12.910 -12.369 23.747 1.00 64.40 H new ATOM 0 HE21 GLN A 35 -14.921 -11.729 22.442 1.00 51.04 H new ATOM 0 HE22 GLN A 35 -15.662 -10.183 22.869 1.00 51.04 H new ATOM 486 N GLY A 36 -17.219 -14.611 23.954 1.00 34.33 N ATOM 487 CA GLY A 36 -18.222 -14.844 22.931 1.00 44.21 C ATOM 488 C GLY A 36 -17.710 -15.723 21.807 1.00 23.23 C ATOM 489 O GLY A 36 -18.387 -16.662 21.387 1.00 11.32 O ATOM 0 H GLY A 36 -16.832 -15.456 24.375 1.00 34.33 H new ATOM 0 HA2 GLY A 36 -19.097 -15.311 23.384 1.00 44.21 H new ATOM 0 HA3 GLY A 36 -18.547 -13.888 22.521 1.00 44.21 H new ATOM 493 N ILE A 37 -16.512 -15.419 21.319 1.00 52.24 N ATOM 494 CA ILE A 37 -15.911 -16.188 20.237 1.00 71.55 C ATOM 495 C ILE A 37 -15.235 -17.448 20.768 1.00 40.15 C ATOM 496 O ILE A 37 -14.592 -18.183 20.018 1.00 43.42 O ATOM 497 CB ILE A 37 -14.877 -15.353 19.459 1.00 71.35 C ATOM 498 CG1 ILE A 37 -13.505 -15.446 20.130 1.00 14.51 C ATOM 499 CG2 ILE A 37 -15.330 -13.904 19.364 1.00 72.03 C ATOM 500 CD1 ILE A 37 -12.490 -14.478 19.565 1.00 44.42 C ATOM 0 H ILE A 37 -15.939 -14.646 21.656 1.00 52.24 H new ATOM 0 HA ILE A 37 -16.720 -16.469 19.563 1.00 71.55 H new ATOM 0 HB ILE A 37 -14.794 -15.754 18.449 1.00 71.35 H new ATOM 0 HG12 ILE A 37 -13.618 -15.259 21.198 1.00 14.51 H new ATOM 0 HG13 ILE A 37 -13.125 -16.462 20.023 1.00 14.51 H new ATOM 0 HG21 ILE A 37 -14.589 -13.327 18.811 1.00 72.03 H new ATOM 0 HG22 ILE A 37 -16.288 -13.855 18.846 1.00 72.03 H new ATOM 0 HG23 ILE A 37 -15.438 -13.490 20.367 1.00 72.03 H new ATOM 0 HD11 ILE A 37 -11.541 -14.599 20.088 1.00 44.42 H new ATOM 0 HD12 ILE A 37 -12.348 -14.679 18.503 1.00 44.42 H new ATOM 0 HD13 ILE A 37 -12.848 -13.457 19.696 1.00 44.42 H new ATOM 512 N ASP A 38 -15.387 -17.692 22.064 1.00 5.15 N ATOM 513 CA ASP A 38 -14.793 -18.865 22.696 1.00 10.33 C ATOM 514 C ASP A 38 -15.746 -20.054 22.638 1.00 73.31 C ATOM 515 O ASP A 38 -15.410 -21.107 22.095 1.00 41.13 O ATOM 516 CB ASP A 38 -14.429 -18.558 24.150 1.00 41.03 C ATOM 517 CG ASP A 38 -14.033 -19.801 24.922 1.00 35.12 C ATOM 518 OD1 ASP A 38 -12.966 -20.374 24.619 1.00 62.12 O ATOM 519 OD2 ASP A 38 -14.791 -20.201 25.831 1.00 51.53 O ATOM 0 H ASP A 38 -15.916 -17.094 22.698 1.00 5.15 H new ATOM 0 HA ASP A 38 -13.886 -19.122 22.149 1.00 10.33 H new ATOM 0 HB2 ASP A 38 -13.607 -17.843 24.172 1.00 41.03 H new ATOM 0 HB3 ASP A 38 -15.278 -18.083 24.642 1.00 41.03 H new ATOM 524 N CYS A 39 -16.937 -19.880 23.202 1.00 62.22 N ATOM 525 CA CYS A 39 -17.939 -20.939 23.216 1.00 50.21 C ATOM 526 C CYS A 39 -18.594 -21.086 21.846 1.00 55.43 C ATOM 527 O CYS A 39 -19.213 -20.151 21.339 1.00 75.25 O ATOM 528 CB CYS A 39 -19.004 -20.647 24.274 1.00 34.14 C ATOM 529 SG CYS A 39 -18.413 -19.626 25.662 1.00 15.05 S ATOM 0 H CYS A 39 -17.232 -19.015 23.655 1.00 62.22 H new ATOM 0 HA CYS A 39 -17.439 -21.876 23.462 1.00 50.21 H new ATOM 0 HB2 CYS A 39 -19.845 -20.142 23.798 1.00 34.14 H new ATOM 0 HB3 CYS A 39 -19.380 -21.592 24.666 1.00 34.14 H new ATOM 534 N GLY A 40 -18.453 -22.267 21.252 1.00 55.14 N ATOM 535 CA GLY A 40 -19.037 -22.515 19.946 1.00 21.12 C ATOM 536 C GLY A 40 -18.003 -22.934 18.919 1.00 14.34 C ATOM 537 O GLY A 40 -17.956 -24.086 18.489 1.00 74.13 O ATOM 0 H GLY A 40 -17.945 -23.056 21.651 1.00 55.14 H new ATOM 0 HA2 GLY A 40 -19.795 -23.293 20.032 1.00 21.12 H new ATOM 0 HA3 GLY A 40 -19.543 -21.614 19.601 1.00 21.12 H new ATOM 541 N PRO A 41 -17.151 -21.982 18.510 1.00 74.22 N ATOM 542 CA PRO A 41 -16.099 -22.234 17.521 1.00 21.51 C ATOM 543 C PRO A 41 -14.991 -23.128 18.069 1.00 73.24 C ATOM 544 O PRO A 41 -14.037 -23.453 17.362 1.00 43.22 O ATOM 545 CB PRO A 41 -15.556 -20.836 17.216 1.00 30.13 C ATOM 546 CG PRO A 41 -15.860 -20.037 18.437 1.00 62.53 C ATOM 547 CD PRO A 41 -17.149 -20.587 18.981 1.00 75.03 C ATOM 0 HA PRO A 41 -16.480 -22.758 16.645 1.00 21.51 H new ATOM 0 HB2 PRO A 41 -14.485 -20.862 17.017 1.00 30.13 H new ATOM 0 HB3 PRO A 41 -16.034 -20.409 16.334 1.00 30.13 H new ATOM 0 HG2 PRO A 41 -15.058 -20.124 19.170 1.00 62.53 H new ATOM 0 HG3 PRO A 41 -15.958 -18.978 18.196 1.00 62.53 H new ATOM 0 HD2 PRO A 41 -17.183 -20.530 20.069 1.00 75.03 H new ATOM 0 HD3 PRO A 41 -18.011 -20.035 18.606 1.00 75.03 H new ATOM 555 N ILE A 42 -15.125 -23.523 19.330 1.00 12.33 N ATOM 556 CA ILE A 42 -14.136 -24.380 19.971 1.00 31.41 C ATOM 557 C ILE A 42 -14.380 -25.848 19.635 1.00 53.41 C ATOM 558 O ILE A 42 -13.877 -26.742 20.315 1.00 54.43 O ATOM 559 CB ILE A 42 -14.148 -24.207 21.501 1.00 24.24 C ATOM 560 CG1 ILE A 42 -15.581 -24.266 22.032 1.00 34.13 C ATOM 561 CG2 ILE A 42 -13.486 -22.894 21.891 1.00 54.53 C ATOM 562 CD1 ILE A 42 -15.664 -24.396 23.537 1.00 24.12 C ATOM 0 H ILE A 42 -15.909 -23.263 19.928 1.00 12.33 H new ATOM 0 HA ILE A 42 -13.161 -24.079 19.587 1.00 31.41 H new ATOM 0 HB ILE A 42 -13.581 -25.024 21.948 1.00 24.24 H new ATOM 0 HG12 ILE A 42 -16.111 -23.365 21.724 1.00 34.13 H new ATOM 0 HG13 ILE A 42 -16.095 -25.111 21.574 1.00 34.13 H new ATOM 0 HG21 ILE A 42 -13.502 -22.786 22.976 1.00 54.53 H new ATOM 0 HG22 ILE A 42 -12.454 -22.889 21.541 1.00 54.53 H new ATOM 0 HG23 ILE A 42 -14.027 -22.064 21.436 1.00 54.53 H new ATOM 0 HD11 ILE A 42 -16.710 -24.432 23.842 1.00 24.12 H new ATOM 0 HD12 ILE A 42 -15.163 -25.311 23.851 1.00 24.12 H new ATOM 0 HD13 ILE A 42 -15.179 -23.538 24.004 1.00 24.12 H new ATOM 574 N GLN A 43 -15.154 -26.087 18.581 1.00 11.40 N ATOM 575 CA GLN A 43 -15.464 -27.446 18.154 1.00 42.10 C ATOM 576 C GLN A 43 -14.274 -28.075 17.436 1.00 35.42 C ATOM 577 O GLN A 43 -13.601 -27.440 16.624 1.00 31.23 O ATOM 578 CB GLN A 43 -16.688 -27.448 17.237 1.00 61.53 C ATOM 579 CG GLN A 43 -17.973 -27.038 17.937 1.00 55.15 C ATOM 580 CD GLN A 43 -18.953 -28.186 18.078 1.00 54.14 C ATOM 581 OE1 GLN A 43 -19.515 -28.663 17.091 1.00 64.11 O ATOM 582 NE2 GLN A 43 -19.165 -28.636 19.309 1.00 63.42 N ATOM 0 H GLN A 43 -15.578 -25.357 18.008 1.00 11.40 H new ATOM 0 HA GLN A 43 -15.684 -28.038 19.042 1.00 42.10 H new ATOM 0 HB2 GLN A 43 -16.507 -26.771 16.402 1.00 61.53 H new ATOM 0 HB3 GLN A 43 -16.815 -28.446 16.817 1.00 61.53 H new ATOM 0 HG2 GLN A 43 -17.734 -26.646 18.926 1.00 55.15 H new ATOM 0 HG3 GLN A 43 -18.444 -26.229 17.378 1.00 55.15 H new ATOM 0 HE21 GLN A 43 -18.678 -28.211 20.098 1.00 63.42 H new ATOM 0 HE22 GLN A 43 -19.815 -29.406 19.466 1.00 63.42 H new ATOM 591 N PRO A 44 -14.008 -29.354 17.741 1.00 62.11 N ATOM 592 CA PRO A 44 -12.899 -30.097 17.135 1.00 21.55 C ATOM 593 C PRO A 44 -13.139 -30.397 15.660 1.00 50.13 C ATOM 594 O PRO A 44 -14.215 -30.127 15.129 1.00 53.34 O ATOM 595 CB PRO A 44 -12.859 -31.396 17.945 1.00 64.00 C ATOM 596 CG PRO A 44 -14.245 -31.563 18.463 1.00 13.52 C ATOM 597 CD PRO A 44 -14.769 -30.173 18.700 1.00 43.24 C ATOM 0 HA PRO A 44 -11.967 -29.532 17.162 1.00 21.55 H new ATOM 0 HB2 PRO A 44 -12.564 -32.241 17.323 1.00 64.00 H new ATOM 0 HB3 PRO A 44 -12.137 -31.333 18.759 1.00 64.00 H new ATOM 0 HG2 PRO A 44 -14.868 -32.098 17.746 1.00 13.52 H new ATOM 0 HG3 PRO A 44 -14.250 -32.144 19.385 1.00 13.52 H new ATOM 0 HD2 PRO A 44 -15.842 -30.112 18.518 1.00 43.24 H new ATOM 0 HD3 PRO A 44 -14.601 -29.850 19.727 1.00 43.24 H new ATOM 605 N GLY A 45 -12.128 -30.958 15.002 1.00 14.51 N ATOM 606 CA GLY A 45 -12.251 -31.285 13.593 1.00 4.35 C ATOM 607 C GLY A 45 -12.120 -32.772 13.330 1.00 11.32 C ATOM 608 O GLY A 45 -12.780 -33.313 12.444 1.00 41.41 O ATOM 0 H GLY A 45 -11.227 -31.192 15.419 1.00 14.51 H new ATOM 0 HA2 GLY A 45 -13.217 -30.938 13.225 1.00 4.35 H new ATOM 0 HA3 GLY A 45 -11.485 -30.751 13.031 1.00 4.35 H new ATOM 612 N GLY A 46 -11.264 -33.435 14.102 1.00 72.12 N ATOM 613 CA GLY A 46 -11.063 -34.862 13.931 1.00 74.25 C ATOM 614 C GLY A 46 -9.610 -35.218 13.688 1.00 30.24 C ATOM 615 O GLY A 46 -9.171 -36.320 14.016 1.00 72.32 O ATOM 0 H GLY A 46 -10.706 -33.009 14.842 1.00 72.12 H new ATOM 0 HA2 GLY A 46 -11.418 -35.385 14.819 1.00 74.25 H new ATOM 0 HA3 GLY A 46 -11.665 -35.213 13.093 1.00 74.25 H new ATOM 619 N ALA A 47 -8.862 -34.284 13.112 1.00 44.43 N ATOM 620 CA ALA A 47 -7.449 -34.504 12.826 1.00 34.42 C ATOM 621 C ALA A 47 -6.682 -34.860 14.095 1.00 61.01 C ATOM 622 O ALA A 47 -6.214 -35.988 14.254 1.00 3.21 O ATOM 623 CB ALA A 47 -6.845 -33.272 12.169 1.00 21.32 C ATOM 0 H ALA A 47 -9.211 -33.367 12.834 1.00 44.43 H new ATOM 0 HA ALA A 47 -7.369 -35.345 12.137 1.00 34.42 H new ATOM 0 HB1 ALA A 47 -5.790 -33.451 11.961 1.00 21.32 H new ATOM 0 HB2 ALA A 47 -7.368 -33.064 11.236 1.00 21.32 H new ATOM 0 HB3 ALA A 47 -6.943 -32.417 12.839 1.00 21.32 H new ATOM 629 N CYS A 48 -6.556 -33.891 14.996 1.00 64.34 N ATOM 630 CA CYS A 48 -5.844 -34.101 16.250 1.00 23.14 C ATOM 631 C CYS A 48 -6.788 -33.965 17.441 1.00 34.41 C ATOM 632 O CYS A 48 -6.351 -33.779 18.577 1.00 42.03 O ATOM 633 CB CYS A 48 -4.693 -33.101 16.382 1.00 72.23 C ATOM 634 SG CYS A 48 -3.055 -33.798 15.995 1.00 1.23 S ATOM 0 H CYS A 48 -6.938 -32.952 14.880 1.00 64.34 H new ATOM 0 HA CYS A 48 -5.439 -35.113 16.243 1.00 23.14 H new ATOM 0 HB2 CYS A 48 -4.882 -32.256 15.720 1.00 72.23 H new ATOM 0 HB3 CYS A 48 -4.679 -32.711 17.400 1.00 72.23 H new ATOM 639 N PHE A 49 -8.087 -34.061 17.173 1.00 5.41 N ATOM 640 CA PHE A 49 -9.094 -33.948 18.221 1.00 1.14 C ATOM 641 C PHE A 49 -8.856 -34.982 19.318 1.00 61.22 C ATOM 642 O PHE A 49 -8.547 -34.634 20.457 1.00 42.13 O ATOM 643 CB PHE A 49 -10.495 -34.125 17.633 1.00 71.21 C ATOM 644 CG PHE A 49 -11.504 -34.624 18.627 1.00 13.23 C ATOM 645 CD1 PHE A 49 -11.835 -33.865 19.738 1.00 14.32 C ATOM 646 CD2 PHE A 49 -12.121 -35.852 18.452 1.00 55.25 C ATOM 647 CE1 PHE A 49 -12.764 -34.320 20.655 1.00 20.41 C ATOM 648 CE2 PHE A 49 -13.051 -36.312 19.365 1.00 70.43 C ATOM 649 CZ PHE A 49 -13.372 -35.546 20.468 1.00 23.44 C ATOM 0 H PHE A 49 -8.466 -34.217 16.239 1.00 5.41 H new ATOM 0 HA PHE A 49 -9.015 -32.954 18.660 1.00 1.14 H new ATOM 0 HB2 PHE A 49 -10.835 -33.171 17.231 1.00 71.21 H new ATOM 0 HB3 PHE A 49 -10.444 -34.823 16.797 1.00 71.21 H new ATOM 0 HD1 PHE A 49 -11.361 -32.906 19.889 1.00 14.32 H new ATOM 0 HD2 PHE A 49 -11.872 -36.457 17.592 1.00 55.25 H new ATOM 0 HE1 PHE A 49 -13.014 -33.718 21.516 1.00 20.41 H new ATOM 0 HE2 PHE A 49 -13.526 -37.270 19.216 1.00 70.43 H new ATOM 0 HZ PHE A 49 -14.097 -35.905 21.183 1.00 23.44 H new ATOM 659 N GLU A 50 -9.003 -36.255 18.964 1.00 31.32 N ATOM 660 CA GLU A 50 -8.806 -37.340 19.918 1.00 23.14 C ATOM 661 C GLU A 50 -7.383 -37.885 19.836 1.00 63.14 C ATOM 662 O GLU A 50 -6.880 -38.218 18.762 1.00 2.32 O ATOM 663 CB GLU A 50 -9.810 -38.465 19.660 1.00 32.14 C ATOM 664 CG GLU A 50 -11.003 -38.444 20.601 1.00 0.35 C ATOM 665 CD GLU A 50 -11.180 -39.751 21.349 1.00 3.02 C ATOM 666 OE1 GLU A 50 -10.190 -40.504 21.468 1.00 75.11 O ATOM 667 OE2 GLU A 50 -12.306 -40.021 21.815 1.00 32.11 O ATOM 0 H GLU A 50 -9.258 -36.560 18.025 1.00 31.32 H new ATOM 0 HA GLU A 50 -8.967 -36.942 20.920 1.00 23.14 H new ATOM 0 HB2 GLU A 50 -10.167 -38.393 18.633 1.00 32.14 H new ATOM 0 HB3 GLU A 50 -9.300 -39.424 19.754 1.00 32.14 H new ATOM 0 HG2 GLU A 50 -10.880 -37.633 21.319 1.00 0.35 H new ATOM 0 HG3 GLU A 50 -11.907 -38.231 20.031 1.00 0.35 H new ATOM 674 N PRO A 51 -6.717 -37.979 20.996 1.00 11.33 N ATOM 675 CA PRO A 51 -7.305 -37.585 22.280 1.00 32.32 C ATOM 676 C PRO A 51 -7.490 -36.076 22.395 1.00 60.10 C ATOM 677 O PRO A 51 -6.710 -35.302 21.842 1.00 25.14 O ATOM 678 CB PRO A 51 -6.281 -38.078 23.305 1.00 31.24 C ATOM 679 CG PRO A 51 -4.990 -38.117 22.563 1.00 51.21 C ATOM 680 CD PRO A 51 -5.339 -38.475 21.145 1.00 63.23 C ATOM 0 HA PRO A 51 -8.302 -38.004 22.417 1.00 32.32 H new ATOM 0 HB2 PRO A 51 -6.225 -37.407 24.162 1.00 31.24 H new ATOM 0 HB3 PRO A 51 -6.547 -39.063 23.688 1.00 31.24 H new ATOM 0 HG2 PRO A 51 -4.484 -37.153 22.609 1.00 51.21 H new ATOM 0 HG3 PRO A 51 -4.313 -38.853 22.996 1.00 51.21 H new ATOM 0 HD2 PRO A 51 -4.663 -38.002 20.433 1.00 63.23 H new ATOM 0 HD3 PRO A 51 -5.279 -39.550 20.976 1.00 63.23 H new ATOM 688 N ASN A 52 -8.528 -35.665 23.117 1.00 45.34 N ATOM 689 CA ASN A 52 -8.814 -34.247 23.304 1.00 75.14 C ATOM 690 C ASN A 52 -8.389 -33.785 24.694 1.00 13.11 C ATOM 691 O ASN A 52 -8.536 -34.514 25.675 1.00 32.25 O ATOM 692 CB ASN A 52 -10.306 -33.976 23.098 1.00 51.23 C ATOM 693 CG ASN A 52 -10.818 -32.858 23.985 1.00 53.41 C ATOM 694 OD1 ASN A 52 -10.534 -31.683 23.749 1.00 22.30 O ATOM 695 ND2 ASN A 52 -11.578 -33.219 25.012 1.00 1.25 N ATOM 0 H ASN A 52 -9.184 -36.293 23.581 1.00 45.34 H new ATOM 0 HA ASN A 52 -8.243 -33.686 22.564 1.00 75.14 H new ATOM 0 HB2 ASN A 52 -10.485 -33.719 22.054 1.00 51.23 H new ATOM 0 HB3 ASN A 52 -10.870 -34.886 23.303 1.00 51.23 H new ATOM 0 HD21 ASN A 52 -11.952 -32.511 25.643 1.00 1.25 H new ATOM 0 HD22 ASN A 52 -11.788 -34.205 25.170 1.00 1.25 H new ATOM 702 N THR A 53 -7.862 -32.567 24.771 1.00 24.14 N ATOM 703 CA THR A 53 -7.415 -32.007 26.040 1.00 4.05 C ATOM 704 C THR A 53 -8.523 -31.200 26.706 1.00 12.12 C ATOM 705 O THR A 53 -9.538 -30.888 26.083 1.00 70.11 O ATOM 706 CB THR A 53 -6.180 -31.105 25.853 1.00 52.13 C ATOM 707 OG1 THR A 53 -6.401 -30.191 24.773 1.00 53.31 O ATOM 708 CG2 THR A 53 -4.939 -31.938 25.572 1.00 23.04 C ATOM 0 H THR A 53 -7.734 -31.950 23.969 1.00 24.14 H new ATOM 0 HA THR A 53 -7.148 -32.848 26.679 1.00 4.05 H new ATOM 0 HB THR A 53 -6.022 -30.547 26.776 1.00 52.13 H new ATOM 0 HG1 THR A 53 -5.613 -29.620 24.661 1.00 53.31 H new ATOM 0 HG21 THR A 53 -4.080 -31.279 25.444 1.00 23.04 H new ATOM 0 HG22 THR A 53 -4.757 -32.613 26.408 1.00 23.04 H new ATOM 0 HG23 THR A 53 -5.089 -32.520 24.662 1.00 23.04 H new ATOM 716 N VAL A 54 -8.323 -30.863 27.976 1.00 22.24 N ATOM 717 CA VAL A 54 -9.305 -30.090 28.727 1.00 73.14 C ATOM 718 C VAL A 54 -9.450 -28.684 28.155 1.00 35.14 C ATOM 719 O VAL A 54 -10.528 -28.292 27.707 1.00 30.00 O ATOM 720 CB VAL A 54 -8.923 -29.991 30.215 1.00 11.44 C ATOM 721 CG1 VAL A 54 -9.926 -29.129 30.968 1.00 62.12 C ATOM 722 CG2 VAL A 54 -8.828 -31.377 30.834 1.00 15.15 C ATOM 0 H VAL A 54 -7.489 -31.114 28.507 1.00 22.24 H new ATOM 0 HA VAL A 54 -10.256 -30.615 28.639 1.00 73.14 H new ATOM 0 HB VAL A 54 -7.944 -29.517 30.290 1.00 11.44 H new ATOM 0 HG11 VAL A 54 -9.640 -29.071 32.018 1.00 62.12 H new ATOM 0 HG12 VAL A 54 -9.939 -28.127 30.539 1.00 62.12 H new ATOM 0 HG13 VAL A 54 -10.919 -29.571 30.887 1.00 62.12 H new ATOM 0 HG21 VAL A 54 -8.557 -31.288 31.886 1.00 15.15 H new ATOM 0 HG22 VAL A 54 -9.791 -31.880 30.749 1.00 15.15 H new ATOM 0 HG23 VAL A 54 -8.068 -31.958 30.311 1.00 15.15 H new ATOM 732 N LYS A 55 -8.358 -27.928 28.174 1.00 20.12 N ATOM 733 CA LYS A 55 -8.361 -26.565 27.657 1.00 52.03 C ATOM 734 C LYS A 55 -8.217 -26.559 26.138 1.00 25.12 C ATOM 735 O LYS A 55 -7.872 -25.539 25.542 1.00 22.22 O ATOM 736 CB LYS A 55 -7.229 -25.754 28.291 1.00 64.14 C ATOM 737 CG LYS A 55 -5.889 -25.934 27.597 1.00 75.31 C ATOM 738 CD LYS A 55 -5.291 -27.301 27.885 1.00 35.13 C ATOM 739 CE LYS A 55 -3.952 -27.482 27.188 1.00 3.43 C ATOM 740 NZ LYS A 55 -3.421 -28.863 27.356 1.00 1.20 N ATOM 0 H LYS A 55 -7.458 -28.237 28.542 1.00 20.12 H new ATOM 0 HA LYS A 55 -9.316 -26.107 27.916 1.00 52.03 H new ATOM 0 HB2 LYS A 55 -7.498 -24.698 28.276 1.00 64.14 H new ATOM 0 HB3 LYS A 55 -7.128 -26.042 29.337 1.00 64.14 H new ATOM 0 HG2 LYS A 55 -6.016 -25.811 26.521 1.00 75.31 H new ATOM 0 HG3 LYS A 55 -5.200 -25.157 27.928 1.00 75.31 H new ATOM 0 HD2 LYS A 55 -5.162 -27.424 28.960 1.00 35.13 H new ATOM 0 HD3 LYS A 55 -5.981 -28.078 27.556 1.00 35.13 H new ATOM 0 HE2 LYS A 55 -4.063 -27.262 26.126 1.00 3.43 H new ATOM 0 HE3 LYS A 55 -3.234 -26.766 27.588 1.00 3.43 H new ATOM 0 HZ1 LYS A 55 -2.507 -28.946 26.866 1.00 1.20 H new ATOM 0 HZ2 LYS A 55 -3.291 -29.064 28.368 1.00 1.20 H new ATOM 0 HZ3 LYS A 55 -4.094 -29.545 26.951 1.00 1.20 H new ATOM 754 N ALA A 56 -8.484 -27.704 25.518 1.00 24.15 N ATOM 755 CA ALA A 56 -8.386 -27.829 24.069 1.00 35.15 C ATOM 756 C ALA A 56 -9.156 -26.714 23.369 1.00 21.14 C ATOM 757 O ALA A 56 -8.677 -26.132 22.395 1.00 30.44 O ATOM 758 CB ALA A 56 -8.900 -29.189 23.622 1.00 73.44 C ATOM 0 H ALA A 56 -8.770 -28.558 25.997 1.00 24.15 H new ATOM 0 HA ALA A 56 -7.336 -27.740 23.791 1.00 35.15 H new ATOM 0 HB1 ALA A 56 -8.821 -29.269 22.538 1.00 73.44 H new ATOM 0 HB2 ALA A 56 -8.305 -29.974 24.088 1.00 73.44 H new ATOM 0 HB3 ALA A 56 -9.943 -29.299 23.919 1.00 73.44 H new ATOM 764 N HIS A 57 -10.351 -26.421 23.871 1.00 35.02 N ATOM 765 CA HIS A 57 -11.188 -25.375 23.293 1.00 3.01 C ATOM 766 C HIS A 57 -10.429 -24.054 23.215 1.00 44.20 C ATOM 767 O HIS A 57 -10.294 -23.467 22.142 1.00 63.02 O ATOM 768 CB HIS A 57 -12.462 -25.196 24.119 1.00 22.43 C ATOM 769 CG HIS A 57 -13.352 -26.401 24.115 1.00 52.33 C ATOM 770 ND1 HIS A 57 -14.186 -26.724 25.164 1.00 14.21 N ATOM 771 CD2 HIS A 57 -13.537 -27.361 23.179 1.00 32.54 C ATOM 772 CE1 HIS A 57 -14.845 -27.832 24.875 1.00 24.22 C ATOM 773 NE2 HIS A 57 -14.469 -28.239 23.676 1.00 31.31 N ATOM 0 H HIS A 57 -10.762 -26.893 24.677 1.00 35.02 H new ATOM 0 HA HIS A 57 -11.460 -25.679 22.282 1.00 3.01 H new ATOM 0 HB2 HIS A 57 -12.188 -24.960 25.147 1.00 22.43 H new ATOM 0 HB3 HIS A 57 -13.019 -24.342 23.733 1.00 22.43 H new ATOM 0 HD2 HIS A 57 -13.044 -27.425 22.220 1.00 32.54 H new ATOM 0 HE1 HIS A 57 -15.568 -28.322 25.511 1.00 24.22 H new ATOM 0 HE2 HIS A 57 -14.815 -29.070 23.197 1.00 31.31 H new ATOM 781 N ALA A 58 -9.936 -23.592 24.359 1.00 3.44 N ATOM 782 CA ALA A 58 -9.189 -22.341 24.420 1.00 55.11 C ATOM 783 C ALA A 58 -8.091 -22.305 23.362 1.00 34.04 C ATOM 784 O ALA A 58 -7.809 -21.257 22.783 1.00 51.04 O ATOM 785 CB ALA A 58 -8.595 -22.147 25.807 1.00 34.42 C ATOM 0 H ALA A 58 -10.040 -24.065 25.257 1.00 3.44 H new ATOM 0 HA ALA A 58 -9.881 -21.524 24.216 1.00 55.11 H new ATOM 0 HB1 ALA A 58 -8.040 -21.209 25.837 1.00 34.42 H new ATOM 0 HB2 ALA A 58 -9.396 -22.119 26.545 1.00 34.42 H new ATOM 0 HB3 ALA A 58 -7.922 -22.974 26.034 1.00 34.42 H new ATOM 791 N ALA A 59 -7.475 -23.456 23.117 1.00 22.50 N ATOM 792 CA ALA A 59 -6.408 -23.556 22.128 1.00 35.43 C ATOM 793 C ALA A 59 -6.908 -23.167 20.741 1.00 22.01 C ATOM 794 O ALA A 59 -6.222 -22.464 19.998 1.00 21.25 O ATOM 795 CB ALA A 59 -5.837 -24.966 22.109 1.00 20.41 C ATOM 0 H ALA A 59 -7.696 -24.333 23.589 1.00 22.50 H new ATOM 0 HA ALA A 59 -5.618 -22.860 22.410 1.00 35.43 H new ATOM 0 HB1 ALA A 59 -5.041 -25.026 21.366 1.00 20.41 H new ATOM 0 HB2 ALA A 59 -5.435 -25.209 23.092 1.00 20.41 H new ATOM 0 HB3 ALA A 59 -6.625 -25.674 21.855 1.00 20.41 H new ATOM 801 N TYR A 60 -8.105 -23.628 20.398 1.00 71.35 N ATOM 802 CA TYR A 60 -8.695 -23.331 19.098 1.00 43.44 C ATOM 803 C TYR A 60 -9.042 -21.849 18.983 1.00 21.42 C ATOM 804 O TYR A 60 -8.557 -21.153 18.092 1.00 44.04 O ATOM 805 CB TYR A 60 -9.949 -24.178 18.877 1.00 63.32 C ATOM 806 CG TYR A 60 -10.685 -23.848 17.598 1.00 31.51 C ATOM 807 CD1 TYR A 60 -11.345 -22.635 17.446 1.00 32.53 C ATOM 808 CD2 TYR A 60 -10.720 -24.750 16.541 1.00 2.12 C ATOM 809 CE1 TYR A 60 -12.020 -22.330 16.280 1.00 22.51 C ATOM 810 CE2 TYR A 60 -11.391 -24.453 15.371 1.00 43.33 C ATOM 811 CZ TYR A 60 -12.040 -23.242 15.245 1.00 25.11 C ATOM 812 OH TYR A 60 -12.709 -22.941 14.081 1.00 33.42 O ATOM 0 H TYR A 60 -8.686 -24.209 21.002 1.00 71.35 H new ATOM 0 HA TYR A 60 -7.961 -23.575 18.330 1.00 43.44 H new ATOM 0 HB2 TYR A 60 -9.668 -25.231 18.863 1.00 63.32 H new ATOM 0 HB3 TYR A 60 -10.624 -24.039 19.721 1.00 63.32 H new ATOM 0 HD1 TYR A 60 -11.330 -21.918 18.254 1.00 32.53 H new ATOM 0 HD2 TYR A 60 -10.214 -25.699 16.636 1.00 2.12 H new ATOM 0 HE1 TYR A 60 -12.529 -21.383 16.179 1.00 22.51 H new ATOM 0 HE2 TYR A 60 -11.408 -25.165 14.559 1.00 43.33 H new ATOM 0 HH TYR A 60 -12.625 -23.689 13.453 1.00 33.42 H new ATOM 822 N VAL A 61 -9.886 -21.374 19.894 1.00 64.02 N ATOM 823 CA VAL A 61 -10.298 -19.975 19.898 1.00 63.51 C ATOM 824 C VAL A 61 -9.089 -19.047 19.941 1.00 55.33 C ATOM 825 O VAL A 61 -9.090 -17.983 19.322 1.00 4.10 O ATOM 826 CB VAL A 61 -11.214 -19.664 21.096 1.00 3.32 C ATOM 827 CG1 VAL A 61 -10.569 -20.124 22.395 1.00 55.10 C ATOM 828 CG2 VAL A 61 -11.535 -18.178 21.148 1.00 12.21 C ATOM 0 H VAL A 61 -10.298 -21.937 20.638 1.00 64.02 H new ATOM 0 HA VAL A 61 -10.851 -19.804 18.974 1.00 63.51 H new ATOM 0 HB VAL A 61 -12.148 -20.211 20.969 1.00 3.32 H new ATOM 0 HG11 VAL A 61 -11.231 -19.896 23.231 1.00 55.10 H new ATOM 0 HG12 VAL A 61 -10.394 -21.199 22.354 1.00 55.10 H new ATOM 0 HG13 VAL A 61 -9.619 -19.607 22.533 1.00 55.10 H new ATOM 0 HG21 VAL A 61 -12.183 -17.975 22.001 1.00 12.21 H new ATOM 0 HG22 VAL A 61 -10.611 -17.610 21.252 1.00 12.21 H new ATOM 0 HG23 VAL A 61 -12.041 -17.883 20.229 1.00 12.21 H new ATOM 838 N MET A 62 -8.060 -19.457 20.675 1.00 55.10 N ATOM 839 CA MET A 62 -6.844 -18.662 20.797 1.00 11.31 C ATOM 840 C MET A 62 -6.380 -18.166 19.431 1.00 5.35 C ATOM 841 O MET A 62 -5.668 -17.167 19.333 1.00 54.22 O ATOM 842 CB MET A 62 -5.736 -19.484 21.458 1.00 11.21 C ATOM 843 CG MET A 62 -5.841 -19.537 22.974 1.00 63.13 C ATOM 844 SD MET A 62 -4.574 -18.549 23.793 1.00 62.55 S ATOM 845 CE MET A 62 -5.553 -17.178 24.399 1.00 31.14 C ATOM 0 H MET A 62 -8.044 -20.335 21.194 1.00 55.10 H new ATOM 0 HA MET A 62 -7.066 -17.797 21.422 1.00 11.31 H new ATOM 0 HB2 MET A 62 -5.764 -20.500 21.064 1.00 11.21 H new ATOM 0 HB3 MET A 62 -4.769 -19.063 21.183 1.00 11.21 H new ATOM 0 HG2 MET A 62 -6.826 -19.183 23.279 1.00 63.13 H new ATOM 0 HG3 MET A 62 -5.759 -20.573 23.304 1.00 63.13 H new ATOM 0 HE1 MET A 62 -5.230 -16.257 23.913 1.00 31.14 H new ATOM 0 HE2 MET A 62 -6.605 -17.356 24.176 1.00 31.14 H new ATOM 0 HE3 MET A 62 -5.421 -17.085 25.477 1.00 31.14 H new ATOM 855 N ASN A 63 -6.786 -18.871 18.381 1.00 52.11 N ATOM 856 CA ASN A 63 -6.410 -18.502 17.021 1.00 74.12 C ATOM 857 C ASN A 63 -7.099 -17.208 16.598 1.00 33.20 C ATOM 858 O ASN A 63 -6.442 -16.204 16.319 1.00 32.34 O ATOM 859 CB ASN A 63 -6.770 -19.626 16.047 1.00 32.34 C ATOM 860 CG ASN A 63 -6.218 -19.385 14.656 1.00 42.02 C ATOM 861 OD1 ASN A 63 -5.017 -19.180 14.480 1.00 63.25 O ATOM 862 ND2 ASN A 63 -7.095 -19.408 13.659 1.00 10.21 N ATOM 0 H ASN A 63 -7.375 -19.701 18.445 1.00 52.11 H new ATOM 0 HA ASN A 63 -5.332 -18.343 17.000 1.00 74.12 H new ATOM 0 HB2 ASN A 63 -6.385 -20.571 16.429 1.00 32.34 H new ATOM 0 HB3 ASN A 63 -7.854 -19.723 15.993 1.00 32.34 H new ATOM 0 HD21 ASN A 63 -6.782 -19.252 12.701 1.00 10.21 H new ATOM 0 HD22 ASN A 63 -8.081 -19.582 13.851 1.00 10.21 H new ATOM 869 N LEU A 64 -8.427 -17.239 16.553 1.00 44.32 N ATOM 870 CA LEU A 64 -9.206 -16.068 16.165 1.00 71.32 C ATOM 871 C LEU A 64 -9.154 -14.996 17.248 1.00 0.30 C ATOM 872 O LEU A 64 -8.956 -13.815 16.958 1.00 35.43 O ATOM 873 CB LEU A 64 -10.658 -16.465 15.894 1.00 73.25 C ATOM 874 CG LEU A 64 -11.219 -17.594 16.760 1.00 45.04 C ATOM 875 CD1 LEU A 64 -12.715 -17.418 16.963 1.00 74.34 C ATOM 876 CD2 LEU A 64 -10.919 -18.947 16.131 1.00 22.24 C ATOM 0 H LEU A 64 -8.986 -18.061 16.780 1.00 44.32 H new ATOM 0 HA LEU A 64 -8.771 -15.658 15.253 1.00 71.32 H new ATOM 0 HB2 LEU A 64 -11.286 -15.584 16.030 1.00 73.25 H new ATOM 0 HB3 LEU A 64 -10.744 -16.760 14.848 1.00 73.25 H new ATOM 0 HG LEU A 64 -10.734 -17.554 17.735 1.00 45.04 H new ATOM 0 HD11 LEU A 64 -13.096 -18.231 17.581 1.00 74.34 H new ATOM 0 HD12 LEU A 64 -12.906 -16.465 17.457 1.00 74.34 H new ATOM 0 HD13 LEU A 64 -13.218 -17.432 15.996 1.00 74.34 H new ATOM 0 HD21 LEU A 64 -11.325 -19.739 16.760 1.00 22.24 H new ATOM 0 HD22 LEU A 64 -11.376 -18.998 15.143 1.00 22.24 H new ATOM 0 HD23 LEU A 64 -9.840 -19.074 16.039 1.00 22.24 H new ATOM 888 N TYR A 65 -9.330 -15.414 18.496 1.00 32.13 N ATOM 889 CA TYR A 65 -9.303 -14.489 19.623 1.00 35.43 C ATOM 890 C TYR A 65 -8.023 -13.659 19.617 1.00 74.51 C ATOM 891 O TYR A 65 -8.065 -12.432 19.708 1.00 30.44 O ATOM 892 CB TYR A 65 -9.421 -15.256 20.942 1.00 41.12 C ATOM 893 CG TYR A 65 -9.527 -14.360 22.155 1.00 33.44 C ATOM 894 CD1 TYR A 65 -8.497 -13.493 22.496 1.00 22.10 C ATOM 895 CD2 TYR A 65 -10.659 -14.381 22.961 1.00 13.00 C ATOM 896 CE1 TYR A 65 -8.590 -12.674 23.604 1.00 4.24 C ATOM 897 CE2 TYR A 65 -10.761 -13.564 24.070 1.00 35.15 C ATOM 898 CZ TYR A 65 -9.724 -12.713 24.388 1.00 1.32 C ATOM 899 OH TYR A 65 -9.821 -11.897 25.492 1.00 23.13 O ATOM 0 H TYR A 65 -9.493 -16.387 18.753 1.00 32.13 H new ATOM 0 HA TYR A 65 -10.153 -13.813 19.526 1.00 35.43 H new ATOM 0 HB2 TYR A 65 -10.298 -15.902 20.900 1.00 41.12 H new ATOM 0 HB3 TYR A 65 -8.552 -15.905 21.055 1.00 41.12 H new ATOM 0 HD1 TYR A 65 -7.608 -13.459 21.884 1.00 22.10 H new ATOM 0 HD2 TYR A 65 -11.473 -15.047 22.716 1.00 13.00 H new ATOM 0 HE1 TYR A 65 -7.779 -12.006 23.855 1.00 4.24 H new ATOM 0 HE2 TYR A 65 -11.648 -13.592 24.685 1.00 35.15 H new ATOM 0 HH TYR A 65 -10.683 -12.046 25.934 1.00 23.13 H new ATOM 909 N TYR A 66 -6.887 -14.338 19.507 1.00 21.34 N ATOM 910 CA TYR A 66 -5.593 -13.666 19.490 1.00 14.54 C ATOM 911 C TYR A 66 -5.562 -12.572 18.427 1.00 1.01 C ATOM 912 O TYR A 66 -4.852 -11.577 18.566 1.00 3.35 O ATOM 913 CB TYR A 66 -4.473 -14.675 19.233 1.00 13.12 C ATOM 914 CG TYR A 66 -3.092 -14.060 19.232 1.00 11.34 C ATOM 915 CD1 TYR A 66 -2.548 -13.527 18.070 1.00 23.14 C ATOM 916 CD2 TYR A 66 -2.332 -14.010 20.395 1.00 62.25 C ATOM 917 CE1 TYR A 66 -1.286 -12.965 18.065 1.00 0.22 C ATOM 918 CE2 TYR A 66 -1.070 -13.448 20.399 1.00 63.41 C ATOM 919 CZ TYR A 66 -0.551 -12.928 19.232 1.00 50.42 C ATOM 920 OH TYR A 66 0.706 -12.367 19.231 1.00 33.01 O ATOM 0 H TYR A 66 -6.836 -15.354 19.428 1.00 21.34 H new ATOM 0 HA TYR A 66 -5.439 -13.205 20.465 1.00 14.54 H new ATOM 0 HB2 TYR A 66 -4.514 -15.453 19.995 1.00 13.12 H new ATOM 0 HB3 TYR A 66 -4.646 -15.160 18.272 1.00 13.12 H new ATOM 0 HD1 TYR A 66 -3.121 -13.552 17.155 1.00 23.14 H new ATOM 0 HD2 TYR A 66 -2.735 -14.417 21.311 1.00 62.25 H new ATOM 0 HE1 TYR A 66 -0.877 -12.557 17.153 1.00 0.22 H new ATOM 0 HE2 TYR A 66 -0.493 -13.416 21.311 1.00 63.41 H new ATOM 0 HH TYR A 66 0.749 -11.661 18.552 1.00 33.01 H new ATOM 930 N GLN A 67 -6.338 -12.766 17.365 1.00 2.44 N ATOM 931 CA GLN A 67 -6.399 -11.796 16.278 1.00 73.42 C ATOM 932 C GLN A 67 -7.629 -10.904 16.412 1.00 30.45 C ATOM 933 O GLN A 67 -7.821 -9.972 15.632 1.00 44.43 O ATOM 934 CB GLN A 67 -6.421 -12.514 14.927 1.00 22.43 C ATOM 935 CG GLN A 67 -5.326 -13.558 14.776 1.00 41.14 C ATOM 936 CD GLN A 67 -5.699 -14.658 13.802 1.00 73.31 C ATOM 937 OE1 GLN A 67 -6.387 -14.418 12.809 1.00 11.33 O ATOM 938 NE2 GLN A 67 -5.246 -15.875 14.081 1.00 14.10 N ATOM 0 H GLN A 67 -6.932 -13.585 17.234 1.00 2.44 H new ATOM 0 HA GLN A 67 -5.510 -11.168 16.335 1.00 73.42 H new ATOM 0 HB2 GLN A 67 -7.391 -12.995 14.796 1.00 22.43 H new ATOM 0 HB3 GLN A 67 -6.321 -11.776 14.131 1.00 22.43 H new ATOM 0 HG2 GLN A 67 -4.411 -13.073 14.437 1.00 41.14 H new ATOM 0 HG3 GLN A 67 -5.112 -13.998 15.750 1.00 41.14 H new ATOM 0 HE21 GLN A 67 -4.679 -16.029 14.915 1.00 14.10 H new ATOM 0 HE22 GLN A 67 -5.465 -16.655 13.462 1.00 14.10 H new ATOM 947 N HIS A 68 -8.460 -11.197 17.408 1.00 74.25 N ATOM 948 CA HIS A 68 -9.672 -10.421 17.645 1.00 74.14 C ATOM 949 C HIS A 68 -9.334 -9.041 18.199 1.00 2.32 C ATOM 950 O HIS A 68 -9.922 -8.038 17.796 1.00 42.23 O ATOM 951 CB HIS A 68 -10.595 -11.161 18.614 1.00 55.45 C ATOM 952 CG HIS A 68 -12.026 -10.726 18.527 1.00 32.12 C ATOM 953 ND1 HIS A 68 -12.852 -11.060 17.474 1.00 2.24 N ATOM 954 CD2 HIS A 68 -12.778 -9.982 19.372 1.00 41.34 C ATOM 955 CE1 HIS A 68 -14.049 -10.538 17.674 1.00 1.10 C ATOM 956 NE2 HIS A 68 -14.031 -9.879 18.819 1.00 64.13 N ATOM 0 H HIS A 68 -8.316 -11.965 18.063 1.00 74.25 H new ATOM 0 HA HIS A 68 -10.185 -10.294 16.692 1.00 74.14 H new ATOM 0 HB2 HIS A 68 -10.536 -12.231 18.414 1.00 55.45 H new ATOM 0 HB3 HIS A 68 -10.238 -11.007 19.632 1.00 55.45 H new ATOM 0 HD2 HIS A 68 -12.453 -9.550 20.307 1.00 41.34 H new ATOM 0 HE1 HIS A 68 -14.898 -10.634 17.014 1.00 1.10 H new ATOM 0 HE2 HIS A 68 -14.819 -9.376 19.226 1.00 64.13 H new ATOM 964 N ALA A 69 -8.383 -8.998 19.127 1.00 51.01 N ATOM 965 CA ALA A 69 -7.966 -7.741 19.736 1.00 62.03 C ATOM 966 C ALA A 69 -7.083 -6.938 18.787 1.00 64.02 C ATOM 967 O ALA A 69 -7.413 -5.811 18.419 1.00 30.35 O ATOM 968 CB ALA A 69 -7.235 -8.005 21.044 1.00 61.23 C ATOM 0 H ALA A 69 -7.887 -9.819 19.473 1.00 51.01 H new ATOM 0 HA ALA A 69 -8.860 -7.153 19.944 1.00 62.03 H new ATOM 0 HB1 ALA A 69 -6.929 -7.057 21.488 1.00 61.23 H new ATOM 0 HB2 ALA A 69 -7.898 -8.531 21.731 1.00 61.23 H new ATOM 0 HB3 ALA A 69 -6.353 -8.616 20.851 1.00 61.23 H new ATOM 974 N GLY A 70 -5.956 -7.526 18.394 1.00 55.34 N ATOM 975 CA GLY A 70 -5.043 -6.850 17.491 1.00 3.44 C ATOM 976 C GLY A 70 -3.897 -7.740 17.052 1.00 11.31 C ATOM 977 O GLY A 70 -2.838 -7.251 16.658 1.00 53.33 O ATOM 0 H GLY A 70 -5.660 -8.458 18.685 1.00 55.34 H new ATOM 0 HA2 GLY A 70 -5.591 -6.509 16.613 1.00 3.44 H new ATOM 0 HA3 GLY A 70 -4.643 -5.963 17.981 1.00 3.44 H new ATOM 981 N ARG A 71 -4.108 -9.050 17.121 1.00 23.15 N ATOM 982 CA ARG A 71 -3.083 -10.010 16.730 1.00 21.43 C ATOM 983 C ARG A 71 -1.763 -9.716 17.438 1.00 54.32 C ATOM 984 O ARG A 71 -0.691 -9.829 16.845 1.00 54.50 O ATOM 985 CB ARG A 71 -2.879 -9.982 15.215 1.00 43.55 C ATOM 986 CG ARG A 71 -4.177 -9.988 14.425 1.00 53.32 C ATOM 987 CD ARG A 71 -4.110 -9.044 13.234 1.00 22.22 C ATOM 988 NE ARG A 71 -4.458 -9.714 11.984 1.00 32.32 N ATOM 989 CZ ARG A 71 -4.417 -9.121 10.796 1.00 34.43 C ATOM 990 NH1 ARG A 71 -4.045 -7.853 10.697 1.00 1.23 N ATOM 991 NH2 ARG A 71 -4.749 -9.798 9.704 1.00 13.20 N ATOM 0 H ARG A 71 -4.979 -9.471 17.444 1.00 23.15 H new ATOM 0 HA ARG A 71 -3.420 -11.003 17.026 1.00 21.43 H new ATOM 0 HB2 ARG A 71 -2.307 -9.093 14.950 1.00 43.55 H new ATOM 0 HB3 ARG A 71 -2.281 -10.845 14.922 1.00 43.55 H new ATOM 0 HG2 ARG A 71 -4.388 -10.999 14.077 1.00 53.32 H new ATOM 0 HG3 ARG A 71 -5.001 -9.696 15.076 1.00 53.32 H new ATOM 0 HD2 ARG A 71 -4.788 -8.206 13.397 1.00 22.22 H new ATOM 0 HD3 ARG A 71 -3.105 -8.630 13.156 1.00 22.22 H new ATOM 0 HE ARG A 71 -4.748 -10.691 12.025 1.00 32.32 H new ATOM 0 HH11 ARG A 71 -3.789 -7.330 11.534 1.00 1.23 H new ATOM 0 HH12 ARG A 71 -4.014 -7.400 9.783 1.00 1.23 H new ATOM 0 HH21 ARG A 71 -5.036 -10.774 9.777 1.00 13.20 H new ATOM 0 HH22 ARG A 71 -4.717 -9.342 8.792 1.00 13.20 H new ATOM 1005 N ASN A 72 -1.851 -9.337 18.709 1.00 70.12 N ATOM 1006 CA ASN A 72 -0.664 -9.025 19.497 1.00 72.11 C ATOM 1007 C ASN A 72 -0.437 -10.077 20.578 1.00 31.22 C ATOM 1008 O ASN A 72 -1.279 -10.948 20.798 1.00 41.00 O ATOM 1009 CB ASN A 72 -0.800 -7.642 20.136 1.00 13.32 C ATOM 1010 CG ASN A 72 -0.094 -6.563 19.337 1.00 73.51 C ATOM 1011 OD1 ASN A 72 1.096 -6.313 19.527 1.00 11.04 O ATOM 1012 ND2 ASN A 72 -0.827 -5.919 18.436 1.00 33.14 N ATOM 0 H ASN A 72 -2.731 -9.239 19.215 1.00 70.12 H new ATOM 0 HA ASN A 72 0.197 -9.026 18.828 1.00 72.11 H new ATOM 0 HB2 ASN A 72 -1.856 -7.390 20.228 1.00 13.32 H new ATOM 0 HB3 ASN A 72 -0.390 -7.669 21.146 1.00 13.32 H new ATOM 0 HD21 ASN A 72 -0.406 -5.184 17.868 1.00 33.14 H new ATOM 0 HD22 ASN A 72 -1.810 -6.160 18.312 1.00 33.14 H new ATOM 1019 N SER A 73 0.706 -9.989 21.251 1.00 70.42 N ATOM 1020 CA SER A 73 1.046 -10.935 22.307 1.00 32.33 C ATOM 1021 C SER A 73 0.189 -10.696 23.547 1.00 5.20 C ATOM 1022 O SER A 73 -0.005 -11.596 24.363 1.00 33.34 O ATOM 1023 CB SER A 73 2.528 -10.819 22.667 1.00 22.43 C ATOM 1024 OG SER A 73 2.843 -9.513 23.116 1.00 43.41 O ATOM 0 H SER A 73 1.412 -9.272 21.084 1.00 70.42 H new ATOM 0 HA SER A 73 0.847 -11.941 21.938 1.00 32.33 H new ATOM 0 HB2 SER A 73 2.775 -11.543 23.443 1.00 22.43 H new ATOM 0 HB3 SER A 73 3.137 -11.065 21.797 1.00 22.43 H new ATOM 0 HG SER A 73 3.796 -9.465 23.341 1.00 43.41 H new ATOM 1030 N TRP A 74 -0.319 -9.476 23.680 1.00 21.21 N ATOM 1031 CA TRP A 74 -1.155 -9.117 24.820 1.00 23.02 C ATOM 1032 C TRP A 74 -2.589 -9.593 24.615 1.00 25.45 C ATOM 1033 O TRP A 74 -3.459 -9.347 25.449 1.00 22.13 O ATOM 1034 CB TRP A 74 -1.133 -7.603 25.038 1.00 73.15 C ATOM 1035 CG TRP A 74 -1.593 -6.825 23.842 1.00 40.20 C ATOM 1036 CD1 TRP A 74 -2.812 -6.905 23.231 1.00 2.31 C ATOM 1037 CD2 TRP A 74 -0.839 -5.851 23.112 1.00 13.52 C ATOM 1038 NE1 TRP A 74 -2.861 -6.039 22.165 1.00 12.34 N ATOM 1039 CE2 TRP A 74 -1.664 -5.380 22.072 1.00 51.32 C ATOM 1040 CE3 TRP A 74 0.451 -5.329 23.237 1.00 11.54 C ATOM 1041 CZ2 TRP A 74 -1.238 -4.414 21.164 1.00 52.02 C ATOM 1042 CZ3 TRP A 74 0.872 -4.370 22.335 1.00 22.32 C ATOM 1043 CH2 TRP A 74 0.030 -3.920 21.310 1.00 72.41 C ATOM 0 H TRP A 74 -0.167 -8.719 23.013 1.00 21.21 H new ATOM 0 HA TRP A 74 -0.752 -9.610 25.704 1.00 23.02 H new ATOM 0 HB2 TRP A 74 -1.767 -7.356 25.889 1.00 73.15 H new ATOM 0 HB3 TRP A 74 -0.120 -7.295 25.296 1.00 73.15 H new ATOM 0 HD1 TRP A 74 -3.619 -7.553 23.540 1.00 2.31 H new ATOM 0 HE1 TRP A 74 -3.659 -5.908 21.544 1.00 12.34 H new ATOM 0 HE3 TRP A 74 1.107 -5.669 24.024 1.00 11.54 H new ATOM 0 HZ2 TRP A 74 -1.885 -4.067 20.372 1.00 52.02 H new ATOM 0 HZ3 TRP A 74 1.868 -3.960 22.422 1.00 22.32 H new ATOM 0 HH2 TRP A 74 0.388 -3.169 20.622 1.00 72.41 H new ATOM 1054 N ASN A 75 -2.827 -10.277 23.501 1.00 51.22 N ATOM 1055 CA ASN A 75 -4.157 -10.787 23.187 1.00 23.42 C ATOM 1056 C ASN A 75 -4.499 -11.988 24.064 1.00 71.21 C ATOM 1057 O ASN A 75 -5.671 -12.286 24.298 1.00 3.01 O ATOM 1058 CB ASN A 75 -4.240 -11.180 21.711 1.00 40.44 C ATOM 1059 CG ASN A 75 -5.544 -10.745 21.069 1.00 4.45 C ATOM 1060 OD1 ASN A 75 -5.553 -9.929 20.147 1.00 1.14 O ATOM 1061 ND2 ASN A 75 -6.653 -11.289 21.557 1.00 42.44 N ATOM 0 H ASN A 75 -2.117 -10.491 22.801 1.00 51.22 H new ATOM 0 HA ASN A 75 -4.879 -9.995 23.386 1.00 23.42 H new ATOM 0 HB2 ASN A 75 -3.405 -10.733 21.171 1.00 40.44 H new ATOM 0 HB3 ASN A 75 -4.136 -12.261 21.619 1.00 40.44 H new ATOM 0 HD21 ASN A 75 -7.560 -11.035 21.167 1.00 42.44 H new ATOM 0 HD22 ASN A 75 -6.597 -11.961 22.322 1.00 42.44 H new ATOM 1068 N CYS A 76 -3.469 -12.674 24.547 1.00 64.34 N ATOM 1069 CA CYS A 76 -3.658 -13.843 25.398 1.00 54.43 C ATOM 1070 C CYS A 76 -3.901 -13.427 26.846 1.00 51.02 C ATOM 1071 O CYS A 76 -2.967 -13.078 27.567 1.00 5.13 O ATOM 1072 CB CYS A 76 -2.438 -14.762 25.317 1.00 32.01 C ATOM 1073 SG CYS A 76 -2.576 -16.071 24.058 1.00 23.52 S ATOM 0 H CYS A 76 -2.493 -12.440 24.363 1.00 64.34 H new ATOM 0 HA CYS A 76 -4.535 -14.384 25.041 1.00 54.43 H new ATOM 0 HB2 CYS A 76 -1.556 -14.159 25.103 1.00 32.01 H new ATOM 0 HB3 CYS A 76 -2.280 -15.225 26.291 1.00 32.01 H new ATOM 1078 N ASP A 77 -5.161 -13.467 27.264 1.00 74.44 N ATOM 1079 CA ASP A 77 -5.528 -13.097 28.626 1.00 43.44 C ATOM 1080 C ASP A 77 -6.146 -14.280 29.363 1.00 30.14 C ATOM 1081 O ASP A 77 -6.709 -14.124 30.447 1.00 54.11 O ATOM 1082 CB ASP A 77 -6.506 -11.921 28.611 1.00 20.03 C ATOM 1083 CG ASP A 77 -6.063 -10.810 27.680 1.00 63.34 C ATOM 1084 OD1 ASP A 77 -4.926 -10.318 27.841 1.00 70.31 O ATOM 1085 OD2 ASP A 77 -6.852 -10.434 26.789 1.00 50.55 O ATOM 0 H ASP A 77 -5.946 -13.752 26.679 1.00 74.44 H new ATOM 0 HA ASP A 77 -4.621 -12.799 29.152 1.00 43.44 H new ATOM 0 HB2 ASP A 77 -7.491 -12.275 28.306 1.00 20.03 H new ATOM 0 HB3 ASP A 77 -6.609 -11.525 29.621 1.00 20.03 H new ATOM 1090 N PHE A 78 -6.038 -15.463 28.769 1.00 61.54 N ATOM 1091 CA PHE A 78 -6.588 -16.674 29.368 1.00 12.41 C ATOM 1092 C PHE A 78 -5.985 -16.920 30.748 1.00 40.31 C ATOM 1093 O PHE A 78 -6.672 -16.819 31.764 1.00 21.54 O ATOM 1094 CB PHE A 78 -6.329 -17.880 28.463 1.00 11.22 C ATOM 1095 CG PHE A 78 -7.162 -17.882 27.213 1.00 13.44 C ATOM 1096 CD1 PHE A 78 -7.715 -16.706 26.732 1.00 72.02 C ATOM 1097 CD2 PHE A 78 -7.393 -19.059 26.521 1.00 60.24 C ATOM 1098 CE1 PHE A 78 -8.482 -16.704 25.582 1.00 71.12 C ATOM 1099 CE2 PHE A 78 -8.159 -19.063 25.370 1.00 64.31 C ATOM 1100 CZ PHE A 78 -8.705 -17.885 24.901 1.00 42.43 C ATOM 0 H PHE A 78 -5.574 -15.610 27.872 1.00 61.54 H new ATOM 0 HA PHE A 78 -7.664 -16.538 29.480 1.00 12.41 H new ATOM 0 HB2 PHE A 78 -5.275 -17.897 28.187 1.00 11.22 H new ATOM 0 HB3 PHE A 78 -6.527 -18.794 29.023 1.00 11.22 H new ATOM 0 HD1 PHE A 78 -7.545 -15.780 27.262 1.00 72.02 H new ATOM 0 HD2 PHE A 78 -6.970 -19.984 26.884 1.00 60.24 H new ATOM 0 HE1 PHE A 78 -8.906 -15.781 25.216 1.00 71.12 H new ATOM 0 HE2 PHE A 78 -8.330 -19.987 24.838 1.00 64.31 H new ATOM 0 HZ PHE A 78 -9.305 -17.887 24.003 1.00 42.43 H new ATOM 1110 N SER A 79 -4.696 -17.243 30.774 1.00 20.04 N ATOM 1111 CA SER A 79 -4.000 -17.508 32.028 1.00 31.22 C ATOM 1112 C SER A 79 -2.499 -17.652 31.796 1.00 0.04 C ATOM 1113 O SER A 79 -2.026 -17.580 30.662 1.00 12.05 O ATOM 1114 CB SER A 79 -4.550 -18.777 32.683 1.00 53.30 C ATOM 1115 OG SER A 79 -4.822 -18.564 34.057 1.00 20.45 O ATOM 0 H SER A 79 -4.113 -17.328 29.942 1.00 20.04 H new ATOM 0 HA SER A 79 -4.168 -16.662 32.694 1.00 31.22 H new ATOM 0 HB2 SER A 79 -5.461 -19.088 32.172 1.00 53.30 H new ATOM 0 HB3 SER A 79 -3.830 -19.588 32.573 1.00 53.30 H new ATOM 0 HG SER A 79 -5.174 -19.389 34.452 1.00 20.45 H new ATOM 1121 N GLN A 80 -1.756 -17.855 32.880 1.00 72.44 N ATOM 1122 CA GLN A 80 -0.309 -18.009 32.795 1.00 44.50 C ATOM 1123 C GLN A 80 0.061 -19.277 32.033 1.00 31.02 C ATOM 1124 O GLN A 80 1.239 -19.568 31.823 1.00 2.34 O ATOM 1125 CB GLN A 80 0.304 -18.044 34.196 1.00 45.11 C ATOM 1126 CG GLN A 80 1.820 -18.161 34.194 1.00 61.01 C ATOM 1127 CD GLN A 80 2.471 -17.333 35.284 1.00 11.41 C ATOM 1128 OE1 GLN A 80 2.844 -17.853 36.336 1.00 13.21 O ATOM 1129 NE2 GLN A 80 2.611 -16.035 35.038 1.00 65.31 N ATOM 0 H GLN A 80 -2.132 -17.916 33.826 1.00 72.44 H new ATOM 0 HA GLN A 80 0.091 -17.152 32.252 1.00 44.50 H new ATOM 0 HB2 GLN A 80 0.018 -17.138 34.731 1.00 45.11 H new ATOM 0 HB3 GLN A 80 -0.116 -18.886 34.747 1.00 45.11 H new ATOM 0 HG2 GLN A 80 2.100 -19.207 34.321 1.00 61.01 H new ATOM 0 HG3 GLN A 80 2.204 -17.844 33.224 1.00 61.01 H new ATOM 0 HE21 GLN A 80 2.288 -15.646 34.152 1.00 65.31 H new ATOM 0 HE22 GLN A 80 3.042 -15.427 35.735 1.00 65.31 H new ATOM 1138 N THR A 81 -0.954 -20.031 31.621 1.00 43.33 N ATOM 1139 CA THR A 81 -0.736 -21.269 30.884 1.00 42.14 C ATOM 1140 C THR A 81 -0.755 -21.024 29.379 1.00 3.22 C ATOM 1141 O THR A 81 0.175 -21.402 28.667 1.00 20.54 O ATOM 1142 CB THR A 81 -1.800 -22.326 31.234 1.00 53.25 C ATOM 1143 OG1 THR A 81 -3.099 -21.859 30.849 1.00 25.33 O ATOM 1144 CG2 THR A 81 -1.787 -22.635 32.723 1.00 11.40 C ATOM 0 H THR A 81 -1.935 -19.805 31.786 1.00 43.33 H new ATOM 0 HA THR A 81 0.246 -21.642 31.176 1.00 42.14 H new ATOM 0 HB THR A 81 -1.566 -23.240 30.688 1.00 53.25 H new ATOM 0 HG1 THR A 81 -3.674 -21.802 31.641 1.00 25.33 H new ATOM 0 HG21 THR A 81 -2.547 -23.384 32.946 1.00 11.40 H new ATOM 0 HG22 THR A 81 -0.806 -23.017 33.007 1.00 11.40 H new ATOM 0 HG23 THR A 81 -1.998 -21.725 33.285 1.00 11.40 H new ATOM 1152 N ALA A 82 -1.819 -20.387 28.901 1.00 31.44 N ATOM 1153 CA ALA A 82 -1.957 -20.089 27.481 1.00 32.43 C ATOM 1154 C ALA A 82 -1.193 -18.823 27.109 1.00 34.13 C ATOM 1155 O ALA A 82 -1.617 -17.712 27.431 1.00 70.31 O ATOM 1156 CB ALA A 82 -3.427 -19.950 27.112 1.00 45.42 C ATOM 0 H ALA A 82 -2.598 -20.067 29.477 1.00 31.44 H new ATOM 0 HA ALA A 82 -1.529 -20.918 26.917 1.00 32.43 H new ATOM 0 HB1 ALA A 82 -3.516 -19.727 26.049 1.00 45.42 H new ATOM 0 HB2 ALA A 82 -3.947 -20.882 27.332 1.00 45.42 H new ATOM 0 HB3 ALA A 82 -3.872 -19.141 27.690 1.00 45.42 H new ATOM 1162 N THR A 83 -0.064 -18.997 26.430 1.00 42.31 N ATOM 1163 CA THR A 83 0.760 -17.868 26.016 1.00 62.12 C ATOM 1164 C THR A 83 1.597 -18.219 24.791 1.00 4.32 C ATOM 1165 O THR A 83 1.555 -19.348 24.300 1.00 4.40 O ATOM 1166 CB THR A 83 1.697 -17.410 27.150 1.00 74.31 C ATOM 1167 OG1 THR A 83 2.329 -16.176 26.795 1.00 51.42 O ATOM 1168 CG2 THR A 83 2.756 -18.464 27.436 1.00 74.41 C ATOM 0 H THR A 83 0.301 -19.909 26.155 1.00 42.31 H new ATOM 0 HA THR A 83 0.079 -17.054 25.767 1.00 62.12 H new ATOM 0 HB THR A 83 1.099 -17.265 28.050 1.00 74.31 H new ATOM 0 HG1 THR A 83 2.921 -15.891 27.522 1.00 51.42 H new ATOM 0 HG21 THR A 83 3.406 -18.118 28.240 1.00 74.41 H new ATOM 0 HG22 THR A 83 2.272 -19.394 27.735 1.00 74.41 H new ATOM 0 HG23 THR A 83 3.350 -18.636 26.538 1.00 74.41 H new ATOM 1176 N LEU A 84 2.358 -17.246 24.302 1.00 1.32 N ATOM 1177 CA LEU A 84 3.207 -17.452 23.134 1.00 41.11 C ATOM 1178 C LEU A 84 4.338 -18.426 23.448 1.00 43.21 C ATOM 1179 O LEU A 84 5.122 -18.208 24.372 1.00 1.44 O ATOM 1180 CB LEU A 84 3.785 -16.118 22.657 1.00 73.31 C ATOM 1181 CG LEU A 84 2.794 -15.151 22.009 1.00 54.11 C ATOM 1182 CD1 LEU A 84 2.929 -13.763 22.615 1.00 42.55 C ATOM 1183 CD2 LEU A 84 3.005 -15.101 20.503 1.00 55.33 C ATOM 0 H LEU A 84 2.404 -16.306 24.696 1.00 1.32 H new ATOM 0 HA LEU A 84 2.594 -17.880 22.341 1.00 41.11 H new ATOM 0 HB2 LEU A 84 4.245 -15.618 23.510 1.00 73.31 H new ATOM 0 HB3 LEU A 84 4.581 -16.325 21.942 1.00 73.31 H new ATOM 0 HG LEU A 84 1.784 -15.512 22.202 1.00 54.11 H new ATOM 0 HD11 LEU A 84 2.216 -13.088 22.141 1.00 42.55 H new ATOM 0 HD12 LEU A 84 2.727 -13.812 23.685 1.00 42.55 H new ATOM 0 HD13 LEU A 84 3.941 -13.392 22.454 1.00 42.55 H new ATOM 0 HD21 LEU A 84 2.291 -14.408 20.058 1.00 55.33 H new ATOM 0 HD22 LEU A 84 4.019 -14.764 20.289 1.00 55.33 H new ATOM 0 HD23 LEU A 84 2.856 -16.095 20.082 1.00 55.33 H new ATOM 1195 N THR A 85 4.419 -19.501 22.671 1.00 62.53 N ATOM 1196 CA THR A 85 5.455 -20.508 22.865 1.00 73.43 C ATOM 1197 C THR A 85 6.551 -20.379 21.813 1.00 21.35 C ATOM 1198 O THR A 85 6.399 -19.656 20.830 1.00 12.01 O ATOM 1199 CB THR A 85 4.871 -21.933 22.809 1.00 52.32 C ATOM 1200 OG1 THR A 85 5.746 -22.847 23.478 1.00 34.55 O ATOM 1201 CG2 THR A 85 4.669 -22.379 21.368 1.00 12.45 C ATOM 0 H THR A 85 3.779 -19.697 21.901 1.00 62.53 H new ATOM 0 HA THR A 85 5.881 -20.336 23.853 1.00 73.43 H new ATOM 0 HB THR A 85 3.903 -21.925 23.309 1.00 52.32 H new ATOM 0 HG1 THR A 85 5.367 -23.750 23.440 1.00 34.55 H new ATOM 0 HG21 THR A 85 4.256 -23.388 21.354 1.00 12.45 H new ATOM 0 HG22 THR A 85 3.980 -21.698 20.869 1.00 12.45 H new ATOM 0 HG23 THR A 85 5.627 -22.372 20.847 1.00 12.45 H new ATOM 1209 N ASN A 86 7.656 -21.086 22.028 1.00 61.03 N ATOM 1210 CA ASN A 86 8.779 -21.050 21.097 1.00 33.05 C ATOM 1211 C ASN A 86 8.323 -21.391 19.682 1.00 63.11 C ATOM 1212 O ASN A 86 7.126 -21.433 19.395 1.00 3.32 O ATOM 1213 CB ASN A 86 9.869 -22.026 21.544 1.00 62.24 C ATOM 1214 CG ASN A 86 10.297 -21.798 22.980 1.00 2.34 C ATOM 1215 OD1 ASN A 86 10.480 -20.659 23.412 1.00 63.24 O ATOM 1216 ND2 ASN A 86 10.459 -22.883 23.729 1.00 51.50 N ATOM 0 H ASN A 86 7.798 -21.690 22.838 1.00 61.03 H new ATOM 0 HA ASN A 86 9.185 -20.039 21.094 1.00 33.05 H new ATOM 0 HB2 ASN A 86 9.505 -23.048 21.434 1.00 62.24 H new ATOM 0 HB3 ASN A 86 10.735 -21.924 20.889 1.00 62.24 H new ATOM 0 HD21 ASN A 86 10.746 -22.792 24.704 1.00 51.50 H new ATOM 0 HD22 ASN A 86 10.296 -23.807 23.330 1.00 51.50 H new ATOM 1223 N THR A 87 9.287 -21.636 18.799 1.00 54.42 N ATOM 1224 CA THR A 87 8.986 -21.973 17.413 1.00 12.42 C ATOM 1225 C THR A 87 7.851 -22.987 17.328 1.00 54.50 C ATOM 1226 O THR A 87 7.422 -23.539 18.340 1.00 23.11 O ATOM 1227 CB THR A 87 10.222 -22.542 16.692 1.00 3.42 C ATOM 1228 OG1 THR A 87 10.123 -22.299 15.284 1.00 22.34 O ATOM 1229 CG2 THR A 87 10.357 -24.035 16.947 1.00 64.45 C ATOM 0 H THR A 87 10.282 -21.607 19.019 1.00 54.42 H new ATOM 0 HA THR A 87 8.682 -21.049 16.922 1.00 12.42 H new ATOM 0 HB THR A 87 11.107 -22.042 17.084 1.00 3.42 H new ATOM 0 HG1 THR A 87 10.914 -22.662 14.833 1.00 22.34 H new ATOM 0 HG21 THR A 87 11.237 -24.415 16.428 1.00 64.45 H new ATOM 0 HG22 THR A 87 10.462 -24.213 18.017 1.00 64.45 H new ATOM 0 HG23 THR A 87 9.469 -24.549 16.579 1.00 64.45 H new ATOM 1237 N ASN A 88 7.368 -23.227 16.113 1.00 11.32 N ATOM 1238 CA ASN A 88 6.282 -24.175 15.896 1.00 35.32 C ATOM 1239 C ASN A 88 6.597 -25.521 16.543 1.00 51.32 C ATOM 1240 O ASN A 88 7.435 -26.286 16.066 1.00 43.55 O ATOM 1241 CB ASN A 88 6.032 -24.363 14.398 1.00 12.44 C ATOM 1242 CG ASN A 88 4.738 -25.102 14.116 1.00 25.50 C ATOM 1243 OD1 ASN A 88 4.706 -26.035 13.313 1.00 43.24 O ATOM 1244 ND2 ASN A 88 3.664 -24.689 14.777 1.00 12.43 N ATOM 0 H ASN A 88 7.712 -22.778 15.264 1.00 11.32 H new ATOM 0 HA ASN A 88 5.382 -23.770 16.360 1.00 35.32 H new ATOM 0 HB2 ASN A 88 6.004 -23.388 13.912 1.00 12.44 H new ATOM 0 HB3 ASN A 88 6.865 -24.913 13.960 1.00 12.44 H new ATOM 0 HD21 ASN A 88 2.766 -25.149 14.629 1.00 12.43 H new ATOM 0 HD22 ASN A 88 3.737 -23.912 15.433 1.00 12.43 H new ATOM 1251 N PRO A 89 5.909 -25.818 17.655 1.00 23.14 N ATOM 1252 CA PRO A 89 6.098 -27.072 18.391 1.00 73.11 C ATOM 1253 C PRO A 89 5.569 -28.279 17.624 1.00 70.22 C ATOM 1254 O PRO A 89 5.606 -29.406 18.118 1.00 3.23 O ATOM 1255 CB PRO A 89 5.289 -26.857 19.672 1.00 14.44 C ATOM 1256 CG PRO A 89 4.253 -25.851 19.302 1.00 23.42 C ATOM 1257 CD PRO A 89 4.895 -24.953 18.281 1.00 75.44 C ATOM 0 HA PRO A 89 7.152 -27.286 18.567 1.00 73.11 H new ATOM 0 HB2 PRO A 89 4.834 -27.787 20.013 1.00 14.44 H new ATOM 0 HB3 PRO A 89 5.921 -26.495 20.483 1.00 14.44 H new ATOM 0 HG2 PRO A 89 3.367 -26.336 18.893 1.00 23.42 H new ATOM 0 HG3 PRO A 89 3.931 -25.283 20.175 1.00 23.42 H new ATOM 0 HD2 PRO A 89 4.170 -24.591 17.552 1.00 75.44 H new ATOM 0 HD3 PRO A 89 5.346 -24.076 18.745 1.00 75.44 H new ATOM 1265 N SER A 90 5.077 -28.036 16.413 1.00 64.20 N ATOM 1266 CA SER A 90 4.538 -29.104 15.579 1.00 52.53 C ATOM 1267 C SER A 90 5.536 -30.250 15.451 1.00 32.52 C ATOM 1268 O SER A 90 6.540 -30.139 14.748 1.00 43.00 O ATOM 1269 CB SER A 90 4.182 -28.565 14.191 1.00 25.15 C ATOM 1270 OG SER A 90 3.688 -29.597 13.355 1.00 14.34 O ATOM 0 H SER A 90 5.041 -27.110 15.988 1.00 64.20 H new ATOM 0 HA SER A 90 3.635 -29.484 16.057 1.00 52.53 H new ATOM 0 HB2 SER A 90 3.433 -27.778 14.284 1.00 25.15 H new ATOM 0 HB3 SER A 90 5.064 -28.114 13.735 1.00 25.15 H new ATOM 0 HG SER A 90 3.182 -29.203 12.613 1.00 14.34 H new ATOM 1276 N TYR A 91 5.251 -31.352 16.136 1.00 24.34 N ATOM 1277 CA TYR A 91 6.124 -32.520 16.103 1.00 42.22 C ATOM 1278 C TYR A 91 5.916 -33.319 14.820 1.00 44.43 C ATOM 1279 O TYR A 91 6.742 -34.155 14.455 1.00 52.21 O ATOM 1280 CB TYR A 91 5.866 -33.411 17.319 1.00 51.10 C ATOM 1281 CG TYR A 91 4.582 -34.205 17.226 1.00 4.23 C ATOM 1282 CD1 TYR A 91 4.507 -35.352 16.447 1.00 64.55 C ATOM 1283 CD2 TYR A 91 3.445 -33.807 17.917 1.00 13.13 C ATOM 1284 CE1 TYR A 91 3.337 -36.081 16.358 1.00 13.32 C ATOM 1285 CE2 TYR A 91 2.270 -34.530 17.836 1.00 3.21 C ATOM 1286 CZ TYR A 91 2.221 -35.666 17.055 1.00 2.42 C ATOM 1287 OH TYR A 91 1.053 -36.388 16.970 1.00 12.45 O ATOM 0 H TYR A 91 4.422 -31.461 16.721 1.00 24.34 H new ATOM 0 HA TYR A 91 7.156 -32.171 16.130 1.00 42.22 H new ATOM 0 HB2 TYR A 91 6.702 -34.100 17.438 1.00 51.10 H new ATOM 0 HB3 TYR A 91 5.835 -32.790 18.214 1.00 51.10 H new ATOM 0 HD1 TYR A 91 5.379 -35.680 15.901 1.00 64.55 H new ATOM 0 HD2 TYR A 91 3.480 -32.917 18.528 1.00 13.13 H new ATOM 0 HE1 TYR A 91 3.296 -36.970 15.747 1.00 13.32 H new ATOM 0 HE2 TYR A 91 1.395 -34.207 18.381 1.00 3.21 H new ATOM 0 HH TYR A 91 0.364 -35.962 17.521 1.00 12.45 H new ATOM 1297 N GLY A 92 4.806 -33.053 14.138 1.00 31.22 N ATOM 1298 CA GLY A 92 4.508 -33.754 12.903 1.00 62.21 C ATOM 1299 C GLY A 92 3.121 -33.441 12.378 1.00 1.12 C ATOM 1300 O GLY A 92 2.842 -32.311 11.979 1.00 51.20 O ATOM 0 H GLY A 92 4.108 -32.364 14.419 1.00 31.22 H new ATOM 0 HA2 GLY A 92 5.248 -33.485 12.149 1.00 62.21 H new ATOM 0 HA3 GLY A 92 4.597 -34.828 13.068 1.00 62.21 H new ATOM 1304 N ALA A 93 2.250 -34.444 12.377 1.00 31.43 N ATOM 1305 CA ALA A 93 0.884 -34.270 11.898 1.00 64.21 C ATOM 1306 C ALA A 93 0.129 -33.255 12.749 1.00 21.21 C ATOM 1307 O ALA A 93 -0.680 -32.480 12.238 1.00 44.02 O ATOM 1308 CB ALA A 93 0.153 -35.604 11.891 1.00 62.40 C ATOM 0 H ALA A 93 2.466 -35.386 12.703 1.00 31.43 H new ATOM 0 HA ALA A 93 0.929 -33.888 10.878 1.00 64.21 H new ATOM 0 HB1 ALA A 93 -0.866 -35.459 11.531 1.00 62.40 H new ATOM 0 HB2 ALA A 93 0.674 -36.301 11.234 1.00 62.40 H new ATOM 0 HB3 ALA A 93 0.126 -36.009 12.902 1.00 62.40 H new ATOM 1314 N CYS A 94 0.397 -33.265 14.051 1.00 70.44 N ATOM 1315 CA CYS A 94 -0.258 -32.347 14.974 1.00 40.31 C ATOM 1316 C CYS A 94 0.337 -30.946 14.861 1.00 55.13 C ATOM 1317 O CYS A 94 1.421 -30.677 15.376 1.00 34.24 O ATOM 1318 CB CYS A 94 -0.125 -32.854 16.411 1.00 35.31 C ATOM 1319 SG CYS A 94 -1.716 -33.065 17.275 1.00 65.33 S ATOM 0 H CYS A 94 1.064 -33.900 14.490 1.00 70.44 H new ATOM 0 HA CYS A 94 -1.314 -32.297 14.709 1.00 40.31 H new ATOM 0 HB2 CYS A 94 0.400 -33.809 16.401 1.00 35.31 H new ATOM 0 HB3 CYS A 94 0.493 -32.156 16.976 1.00 35.31 H new ATOM 1324 N ASN A 95 -0.382 -30.057 14.182 1.00 20.20 N ATOM 1325 CA ASN A 95 0.074 -28.684 14.001 1.00 41.14 C ATOM 1326 C ASN A 95 -0.581 -27.754 15.017 1.00 32.23 C ATOM 1327 O ASN A 95 -1.766 -27.890 15.326 1.00 45.45 O ATOM 1328 CB ASN A 95 -0.236 -28.205 12.581 1.00 42.01 C ATOM 1329 CG ASN A 95 0.956 -28.337 11.653 1.00 63.31 C ATOM 1330 OD1 ASN A 95 1.970 -27.661 11.827 1.00 65.42 O ATOM 1331 ND2 ASN A 95 0.839 -29.211 10.660 1.00 32.30 N ATOM 0 H ASN A 95 -1.282 -30.263 13.749 1.00 20.20 H new ATOM 0 HA ASN A 95 1.152 -28.662 14.158 1.00 41.14 H new ATOM 0 HB2 ASN A 95 -1.070 -28.781 12.180 1.00 42.01 H new ATOM 0 HB3 ASN A 95 -0.554 -27.163 12.613 1.00 42.01 H new ATOM 0 HD21 ASN A 95 1.608 -29.343 10.004 1.00 32.30 H new ATOM 0 HD22 ASN A 95 -0.020 -29.750 10.554 1.00 32.30 H new ATOM 1338 N PHE A 96 0.197 -26.809 15.535 1.00 61.52 N ATOM 1339 CA PHE A 96 -0.307 -25.857 16.517 1.00 1.12 C ATOM 1340 C PHE A 96 -0.815 -24.590 15.835 1.00 34.13 C ATOM 1341 O PHE A 96 -0.438 -24.266 14.709 1.00 25.51 O ATOM 1342 CB PHE A 96 0.789 -25.503 17.524 1.00 1.34 C ATOM 1343 CG PHE A 96 0.896 -26.478 18.662 1.00 53.41 C ATOM 1344 CD1 PHE A 96 1.090 -27.828 18.419 1.00 42.32 C ATOM 1345 CD2 PHE A 96 0.801 -26.044 19.975 1.00 52.15 C ATOM 1346 CE1 PHE A 96 1.189 -28.727 19.463 1.00 20.54 C ATOM 1347 CE2 PHE A 96 0.899 -26.939 21.023 1.00 3.10 C ATOM 1348 CZ PHE A 96 1.092 -28.282 20.767 1.00 24.42 C ATOM 0 H PHE A 96 1.179 -26.682 15.291 1.00 61.52 H new ATOM 0 HA PHE A 96 -1.139 -26.323 17.045 1.00 1.12 H new ATOM 0 HB2 PHE A 96 1.746 -25.456 17.005 1.00 1.34 H new ATOM 0 HB3 PHE A 96 0.595 -24.508 17.925 1.00 1.34 H new ATOM 0 HD1 PHE A 96 1.165 -28.182 17.401 1.00 42.32 H new ATOM 0 HD2 PHE A 96 0.649 -24.995 20.181 1.00 52.15 H new ATOM 0 HE1 PHE A 96 1.342 -29.777 19.260 1.00 20.54 H new ATOM 0 HE2 PHE A 96 0.825 -26.588 22.042 1.00 3.10 H new ATOM 0 HZ PHE A 96 1.167 -28.983 21.585 1.00 24.42 H new ATOM 1358 N PRO A 97 -1.694 -23.855 16.533 1.00 74.41 N ATOM 1359 CA PRO A 97 -2.274 -22.613 16.015 1.00 13.53 C ATOM 1360 C PRO A 97 -1.250 -21.486 15.931 1.00 11.14 C ATOM 1361 O PRO A 97 -0.751 -21.011 16.951 1.00 10.44 O ATOM 1362 CB PRO A 97 -3.359 -22.274 17.040 1.00 13.54 C ATOM 1363 CG PRO A 97 -2.908 -22.929 18.300 1.00 14.31 C ATOM 1364 CD PRO A 97 -2.189 -24.181 17.881 1.00 33.10 C ATOM 0 HA PRO A 97 -2.650 -22.732 14.999 1.00 13.53 H new ATOM 0 HB2 PRO A 97 -3.460 -21.196 17.168 1.00 13.54 H new ATOM 0 HB3 PRO A 97 -4.332 -22.650 16.725 1.00 13.54 H new ATOM 0 HG2 PRO A 97 -2.249 -22.272 18.867 1.00 14.31 H new ATOM 0 HG3 PRO A 97 -3.756 -23.163 18.944 1.00 14.31 H new ATOM 0 HD2 PRO A 97 -1.372 -24.422 18.561 1.00 33.10 H new ATOM 0 HD3 PRO A 97 -2.857 -25.042 17.866 1.00 33.10 H new ATOM 1372 N SER A 98 -0.942 -21.063 14.710 1.00 45.42 N ATOM 1373 CA SER A 98 0.026 -19.993 14.493 1.00 61.50 C ATOM 1374 C SER A 98 -0.666 -18.634 14.451 1.00 31.51 C ATOM 1375 O SER A 98 -0.028 -17.607 14.228 1.00 41.32 O ATOM 1376 CB SER A 98 0.794 -20.228 13.190 1.00 14.14 C ATOM 1377 OG SER A 98 0.016 -19.855 12.066 1.00 10.41 O ATOM 0 H SER A 98 -1.348 -21.444 13.855 1.00 45.42 H new ATOM 0 HA SER A 98 0.728 -19.997 15.326 1.00 61.50 H new ATOM 0 HB2 SER A 98 1.721 -19.654 13.202 1.00 14.14 H new ATOM 0 HB3 SER A 98 1.071 -21.279 13.112 1.00 14.14 H new ATOM 0 HG SER A 98 0.529 -20.013 11.246 1.00 10.41 H new ATOM 1383 N GLY A 99 -1.978 -18.639 14.668 1.00 40.51 N ATOM 1384 CA GLY A 99 -2.736 -17.401 14.651 1.00 75.42 C ATOM 1385 C GLY A 99 -2.995 -16.899 13.244 1.00 33.41 C ATOM 1386 O GLY A 99 -3.052 -15.692 13.009 1.00 22.50 O ATOM 0 H GLY A 99 -2.529 -19.477 14.855 1.00 40.51 H new ATOM 0 HA2 GLY A 99 -3.688 -17.554 15.160 1.00 75.42 H new ATOM 0 HA3 GLY A 99 -2.194 -16.639 15.211 1.00 75.42 H new ATOM 1390 N SER A 100 -3.151 -17.828 12.306 1.00 53.45 N ATOM 1391 CA SER A 100 -3.400 -17.473 10.913 1.00 2.42 C ATOM 1392 C SER A 100 -4.064 -18.627 10.169 1.00 51.34 C ATOM 1393 O SER A 100 -3.424 -19.632 9.862 1.00 54.33 O ATOM 1394 CB SER A 100 -2.090 -17.090 10.221 1.00 73.43 C ATOM 1395 OG SER A 100 -1.966 -15.684 10.105 1.00 12.51 O ATOM 0 H SER A 100 -3.109 -18.831 12.485 1.00 53.45 H new ATOM 0 HA SER A 100 -4.075 -16.617 10.896 1.00 2.42 H new ATOM 0 HB2 SER A 100 -1.247 -17.487 10.787 1.00 73.43 H new ATOM 0 HB3 SER A 100 -2.052 -17.544 9.231 1.00 73.43 H new ATOM 0 HG SER A 100 -2.240 -15.261 10.945 1.00 12.51 H new ATOM 1401 N ASN A 101 -5.353 -18.474 9.881 1.00 2.44 N ATOM 1402 CA ASN A 101 -6.106 -19.503 9.173 1.00 5.42 C ATOM 1403 C ASN A 101 -7.180 -18.878 8.288 1.00 62.41 C ATOM 1404 O ASN A 101 -8.055 -18.159 8.770 1.00 25.42 O ATOM 1405 CB ASN A 101 -6.748 -20.470 10.169 1.00 33.02 C ATOM 1406 CG ASN A 101 -7.337 -21.692 9.491 1.00 43.03 C ATOM 1407 OD1 ASN A 101 -6.616 -22.622 9.129 1.00 70.04 O ATOM 1408 ND2 ASN A 101 -8.653 -21.695 9.315 1.00 10.32 N ATOM 0 H ASN A 101 -5.897 -17.647 10.127 1.00 2.44 H new ATOM 0 HA ASN A 101 -5.413 -20.054 8.538 1.00 5.42 H new ATOM 0 HB2 ASN A 101 -6.001 -20.786 10.897 1.00 33.02 H new ATOM 0 HB3 ASN A 101 -7.532 -19.951 10.721 1.00 33.02 H new ATOM 0 HD21 ASN A 101 -9.105 -22.490 8.864 1.00 10.32 H new ATOM 0 HD22 ASN A 101 -9.212 -20.902 9.631 1.00 10.32 H new TER 1415 ASN A 101