USER MOD reduce.3.24.130724 H: found=0, std=0, add=689, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 687 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 40 MET CE :methyl -107:sc= -2.93 (180deg=-6.09!) USER MOD Set 1.2: A 41 TYR OH : rot 30:sc= -0.617 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 5 SER OG : rot 18:sc= 0.92 USER MOD Single : A 6 SER OG : rot 180:sc= -0.167 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 105:sc= 0.0507 USER MOD Single : A 32 HIS : no HD1:sc= -1.32 X(o=-1.3,f=-1.1) USER MOD Single : A 35 CYS SG : rot 41:sc= 0.464 USER MOD Single : A 36 GLN : amide:sc= -0.828 X(o=-0.83,f=-0.84) USER MOD Single : A 43 TYR OH : rot 165:sc= 0 USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 ASN :FLIP amide:sc= -0.52 F(o=-2.4,f=-0.52) USER MOD Single : A 52 SER OG : rot 180:sc= -0.543! USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= -0.923 K(o=-0.92,f=-3.7!) USER MOD Single : A 60 ASN : amide:sc= -0.338 K(o=-0.34,f=-5.3!) USER MOD Single : A 62 MET CE :methyl -148:sc= -0.702 (180deg=-1.7!) USER MOD Single : A 63 ASN : amide:sc= -0.611 K(o=-0.61,f=-8.9!) USER MOD Single : A 64 LYS NZ :NH3+ -108:sc= 1.25 (180deg=-0.0832) USER MOD Single : A 71 GLN : amide:sc= -0.055 K(o=-0.055,f=-1.8!) USER MOD Single : A 75 ASN : amide:sc=-0.00763 X(o=-0.0076,f=-0.17) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 167:sc= 0.442 USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 166:sc= 0.0347 (180deg=-0.161) USER MOD Single : A 88 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot -79:sc= 1 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -18.584 15.886 6.765 1.00 0.00 N ATOM 2 CA GLY A 1 -18.040 16.936 7.607 1.00 0.00 C ATOM 3 C GLY A 1 -19.012 18.081 7.807 1.00 0.00 C ATOM 4 O GLY A 1 -20.043 17.922 8.459 1.00 0.00 O ATOM 0 H1 GLY A 1 -17.881 15.127 6.659 1.00 0.00 H new ATOM 0 H2 GLY A 1 -19.446 15.502 7.203 1.00 0.00 H new ATOM 0 H3 GLY A 1 -18.815 16.276 5.829 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -17.772 16.517 8.577 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -17.122 17.317 7.160 1.00 0.00 H new ATOM 8 N SER A 2 -18.682 19.240 7.246 1.00 0.00 N ATOM 9 CA SER A 2 -19.531 20.419 7.371 1.00 0.00 C ATOM 10 C SER A 2 -20.274 20.694 6.067 1.00 0.00 C ATOM 11 O SER A 2 -19.663 21.017 5.048 1.00 0.00 O ATOM 12 CB SER A 2 -18.693 21.638 7.760 1.00 0.00 C ATOM 13 OG SER A 2 -18.553 21.732 9.167 1.00 0.00 O ATOM 0 H SER A 2 -17.833 19.388 6.701 1.00 0.00 H new ATOM 0 HA SER A 2 -20.265 20.227 8.154 1.00 0.00 H new ATOM 0 HB2 SER A 2 -17.709 21.569 7.297 1.00 0.00 H new ATOM 0 HB3 SER A 2 -19.163 22.544 7.377 1.00 0.00 H new ATOM 0 HG SER A 2 -18.012 22.518 9.390 1.00 0.00 H new ATOM 19 N SER A 3 -21.596 20.563 6.107 1.00 0.00 N ATOM 20 CA SER A 3 -22.423 20.793 4.929 1.00 0.00 C ATOM 21 C SER A 3 -22.023 22.089 4.229 1.00 0.00 C ATOM 22 O SER A 3 -22.036 23.162 4.830 1.00 0.00 O ATOM 23 CB SER A 3 -23.901 20.847 5.320 1.00 0.00 C ATOM 24 OG SER A 3 -24.726 21.005 4.178 1.00 0.00 O ATOM 0 H SER A 3 -22.117 20.299 6.943 1.00 0.00 H new ATOM 0 HA SER A 3 -22.267 19.964 4.239 1.00 0.00 H new ATOM 0 HB2 SER A 3 -24.175 19.933 5.846 1.00 0.00 H new ATOM 0 HB3 SER A 3 -24.068 21.674 6.010 1.00 0.00 H new ATOM 0 HG SER A 3 -25.666 21.035 4.455 1.00 0.00 H new ATOM 30 N GLY A 4 -21.667 21.979 2.952 1.00 0.00 N ATOM 31 CA GLY A 4 -21.268 23.148 2.190 1.00 0.00 C ATOM 32 C GLY A 4 -20.242 22.821 1.123 1.00 0.00 C ATOM 33 O GLY A 4 -20.576 22.250 0.085 1.00 0.00 O ATOM 0 H GLY A 4 -21.648 21.102 2.432 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -22.147 23.590 1.721 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -20.858 23.897 2.867 1.00 0.00 H new ATOM 37 N SER A 5 -18.989 23.187 1.377 1.00 0.00 N ATOM 38 CA SER A 5 -17.912 22.934 0.428 1.00 0.00 C ATOM 39 C SER A 5 -17.528 21.457 0.421 1.00 0.00 C ATOM 40 O SER A 5 -17.051 20.924 1.423 1.00 0.00 O ATOM 41 CB SER A 5 -16.690 23.788 0.771 1.00 0.00 C ATOM 42 OG SER A 5 -16.050 23.315 1.944 1.00 0.00 O ATOM 0 H SER A 5 -18.696 23.660 2.232 1.00 0.00 H new ATOM 0 HA SER A 5 -18.268 23.204 -0.566 1.00 0.00 H new ATOM 0 HB2 SER A 5 -15.987 23.773 -0.062 1.00 0.00 H new ATOM 0 HB3 SER A 5 -16.995 24.825 0.912 1.00 0.00 H new ATOM 0 HG SER A 5 -16.342 22.398 2.128 1.00 0.00 H new ATOM 48 N SER A 6 -17.741 20.802 -0.716 1.00 0.00 N ATOM 49 CA SER A 6 -17.422 19.386 -0.853 1.00 0.00 C ATOM 50 C SER A 6 -17.299 18.997 -2.323 1.00 0.00 C ATOM 51 O SER A 6 -17.695 19.750 -3.211 1.00 0.00 O ATOM 52 CB SER A 6 -18.495 18.532 -0.175 1.00 0.00 C ATOM 53 OG SER A 6 -18.173 17.154 -0.251 1.00 0.00 O ATOM 0 H SER A 6 -18.133 21.229 -1.555 1.00 0.00 H new ATOM 0 HA SER A 6 -16.464 19.206 -0.366 1.00 0.00 H new ATOM 0 HB2 SER A 6 -18.594 18.828 0.869 1.00 0.00 H new ATOM 0 HB3 SER A 6 -19.460 18.710 -0.650 1.00 0.00 H new ATOM 0 HG SER A 6 -18.873 16.630 0.191 1.00 0.00 H new ATOM 59 N GLY A 7 -16.748 17.813 -2.571 1.00 0.00 N ATOM 60 CA GLY A 7 -16.582 17.343 -3.934 1.00 0.00 C ATOM 61 C GLY A 7 -15.137 17.032 -4.269 1.00 0.00 C ATOM 62 O GLY A 7 -14.652 17.389 -5.342 1.00 0.00 O ATOM 0 H GLY A 7 -16.414 17.171 -1.853 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -17.187 16.448 -4.082 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -16.957 18.099 -4.624 1.00 0.00 H new ATOM 66 N GLN A 8 -14.448 16.366 -3.348 1.00 0.00 N ATOM 67 CA GLN A 8 -13.048 16.010 -3.550 1.00 0.00 C ATOM 68 C GLN A 8 -12.860 14.497 -3.507 1.00 0.00 C ATOM 69 O GLN A 8 -13.534 13.798 -2.750 1.00 0.00 O ATOM 70 CB GLN A 8 -12.172 16.676 -2.488 1.00 0.00 C ATOM 71 CG GLN A 8 -11.712 18.074 -2.869 1.00 0.00 C ATOM 72 CD GLN A 8 -10.619 18.597 -1.958 1.00 0.00 C ATOM 73 OE1 GLN A 8 -10.894 19.139 -0.887 1.00 0.00 O ATOM 74 NE2 GLN A 8 -9.370 18.437 -2.379 1.00 0.00 N ATOM 0 H GLN A 8 -14.836 16.062 -2.455 1.00 0.00 H new ATOM 0 HA GLN A 8 -12.746 16.367 -4.535 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -12.727 16.728 -1.551 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -11.297 16.051 -2.306 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -11.350 18.066 -3.897 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -12.563 18.754 -2.836 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -9.188 17.982 -3.274 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -8.593 18.769 -1.808 1.00 0.00 H new ATOM 83 N LYS A 9 -11.939 13.997 -4.324 1.00 0.00 N ATOM 84 CA LYS A 9 -11.660 12.567 -4.379 1.00 0.00 C ATOM 85 C LYS A 9 -11.412 12.007 -2.982 1.00 0.00 C ATOM 86 O LYS A 9 -11.895 10.929 -2.640 1.00 0.00 O ATOM 87 CB LYS A 9 -10.446 12.297 -5.271 1.00 0.00 C ATOM 88 CG LYS A 9 -10.784 12.217 -6.750 1.00 0.00 C ATOM 89 CD LYS A 9 -10.832 13.596 -7.386 1.00 0.00 C ATOM 90 CE LYS A 9 -11.303 13.527 -8.831 1.00 0.00 C ATOM 91 NZ LYS A 9 -11.106 14.821 -9.541 1.00 0.00 N ATOM 0 H LYS A 9 -11.373 14.561 -4.957 1.00 0.00 H new ATOM 0 HA LYS A 9 -12.532 12.068 -4.802 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -9.710 13.086 -5.117 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -9.980 11.361 -4.962 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -10.041 11.605 -7.261 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -11.747 11.723 -6.878 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -11.502 14.239 -6.814 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -9.842 14.051 -7.346 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -10.759 12.740 -9.353 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -12.358 13.256 -8.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -11.439 14.733 -10.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -11.645 15.568 -9.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -10.096 15.068 -9.539 1.00 0.00 H new ATOM 105 N GLY A 10 -10.655 12.748 -2.178 1.00 0.00 N ATOM 106 CA GLY A 10 -10.358 12.310 -0.827 1.00 0.00 C ATOM 107 C GLY A 10 -9.127 11.427 -0.762 1.00 0.00 C ATOM 108 O GLY A 10 -9.087 10.462 0.002 1.00 0.00 O ATOM 0 H GLY A 10 -10.242 13.644 -2.439 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -10.210 13.182 -0.190 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -11.214 11.765 -0.428 1.00 0.00 H new ATOM 112 N TRP A 11 -8.122 11.756 -1.565 1.00 0.00 N ATOM 113 CA TRP A 11 -6.885 10.984 -1.597 1.00 0.00 C ATOM 114 C TRP A 11 -5.688 11.860 -1.247 1.00 0.00 C ATOM 115 O TRP A 11 -5.530 12.956 -1.784 1.00 0.00 O ATOM 116 CB TRP A 11 -6.687 10.356 -2.978 1.00 0.00 C ATOM 117 CG TRP A 11 -5.377 9.643 -3.123 1.00 0.00 C ATOM 118 CD1 TRP A 11 -4.151 10.213 -3.318 1.00 0.00 C ATOM 119 CD2 TRP A 11 -5.163 8.228 -3.088 1.00 0.00 C ATOM 120 NE1 TRP A 11 -3.188 9.236 -3.406 1.00 0.00 N ATOM 121 CE2 TRP A 11 -3.782 8.010 -3.267 1.00 0.00 C ATOM 122 CE3 TRP A 11 -6.002 7.123 -2.920 1.00 0.00 C ATOM 123 CZ2 TRP A 11 -3.226 6.734 -3.283 1.00 0.00 C ATOM 124 CZ3 TRP A 11 -5.448 5.857 -2.937 1.00 0.00 C ATOM 125 CH2 TRP A 11 -4.071 5.671 -3.117 1.00 0.00 C ATOM 0 H TRP A 11 -8.139 12.552 -2.203 1.00 0.00 H new ATOM 0 HA TRP A 11 -6.961 10.191 -0.853 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -7.498 9.654 -3.170 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -6.754 11.135 -3.737 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -3.966 11.274 -3.392 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -2.192 9.398 -3.551 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -7.065 7.256 -2.779 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -2.165 6.588 -3.422 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -6.088 4.996 -2.809 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -3.669 4.669 -3.125 1.00 0.00 H new ATOM 136 N PHE A 12 -4.846 11.370 -0.343 1.00 0.00 N ATOM 137 CA PHE A 12 -3.662 12.110 0.080 1.00 0.00 C ATOM 138 C PHE A 12 -2.445 11.706 -0.747 1.00 0.00 C ATOM 139 O PHE A 12 -1.881 10.624 -0.580 1.00 0.00 O ATOM 140 CB PHE A 12 -3.387 11.868 1.565 1.00 0.00 C ATOM 141 CG PHE A 12 -1.961 12.123 1.960 1.00 0.00 C ATOM 142 CD1 PHE A 12 -1.370 13.353 1.720 1.00 0.00 C ATOM 143 CD2 PHE A 12 -1.210 11.131 2.571 1.00 0.00 C ATOM 144 CE1 PHE A 12 -0.058 13.591 2.082 1.00 0.00 C ATOM 145 CE2 PHE A 12 0.103 11.363 2.936 1.00 0.00 C ATOM 146 CZ PHE A 12 0.680 12.594 2.690 1.00 0.00 C ATOM 0 H PHE A 12 -4.961 10.464 0.111 1.00 0.00 H new ATOM 0 HA PHE A 12 -3.851 13.172 -0.079 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -4.040 12.510 2.156 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -3.645 10.838 1.811 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -1.942 14.136 1.244 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -1.656 10.166 2.764 1.00 0.00 H new ATOM 0 HE1 PHE A 12 0.390 14.555 1.890 1.00 0.00 H new ATOM 0 HE2 PHE A 12 0.677 10.583 3.413 1.00 0.00 H new ATOM 0 HZ PHE A 12 1.706 12.777 2.973 1.00 0.00 H new ATOM 156 N PRO A 13 -2.029 12.596 -1.660 1.00 0.00 N ATOM 157 CA PRO A 13 -0.875 12.355 -2.531 1.00 0.00 C ATOM 158 C PRO A 13 0.444 12.378 -1.766 1.00 0.00 C ATOM 159 O PRO A 13 0.458 12.433 -0.537 1.00 0.00 O ATOM 160 CB PRO A 13 -0.935 13.516 -3.528 1.00 0.00 C ATOM 161 CG PRO A 13 -1.662 14.597 -2.806 1.00 0.00 C ATOM 162 CD PRO A 13 -2.653 13.905 -1.913 1.00 0.00 C ATOM 0 HA PRO A 13 -0.915 11.371 -2.998 1.00 0.00 H new ATOM 0 HB2 PRO A 13 0.064 13.838 -3.821 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -1.458 13.228 -4.440 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -0.973 15.209 -2.224 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -2.166 15.263 -3.506 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -2.815 14.458 -0.988 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -3.624 13.800 -2.396 1.00 0.00 H new ATOM 170 N ALA A 14 1.550 12.335 -2.501 1.00 0.00 N ATOM 171 CA ALA A 14 2.874 12.354 -1.891 1.00 0.00 C ATOM 172 C ALA A 14 3.526 13.725 -2.035 1.00 0.00 C ATOM 173 O ALA A 14 4.717 13.828 -2.328 1.00 0.00 O ATOM 174 CB ALA A 14 3.756 11.280 -2.511 1.00 0.00 C ATOM 0 H ALA A 14 1.556 12.287 -3.520 1.00 0.00 H new ATOM 0 HA ALA A 14 2.760 12.146 -0.827 1.00 0.00 H new ATOM 0 HB1 ALA A 14 4.742 11.306 -2.046 1.00 0.00 H new ATOM 0 HB2 ALA A 14 3.304 10.301 -2.351 1.00 0.00 H new ATOM 0 HB3 ALA A 14 3.855 11.463 -3.581 1.00 0.00 H new ATOM 180 N SER A 15 2.737 14.774 -1.827 1.00 0.00 N ATOM 181 CA SER A 15 3.237 16.140 -1.938 1.00 0.00 C ATOM 182 C SER A 15 3.323 16.800 -0.566 1.00 0.00 C ATOM 183 O SER A 15 2.629 16.404 0.371 1.00 0.00 O ATOM 184 CB SER A 15 2.333 16.963 -2.858 1.00 0.00 C ATOM 185 OG SER A 15 2.409 16.500 -4.195 1.00 0.00 O ATOM 0 H SER A 15 1.750 14.705 -1.581 1.00 0.00 H new ATOM 0 HA SER A 15 4.239 16.101 -2.366 1.00 0.00 H new ATOM 0 HB2 SER A 15 1.302 16.905 -2.508 1.00 0.00 H new ATOM 0 HB3 SER A 15 2.625 18.012 -2.816 1.00 0.00 H new ATOM 0 HG SER A 15 1.821 17.041 -4.762 1.00 0.00 H new ATOM 191 N HIS A 16 4.180 17.810 -0.455 1.00 0.00 N ATOM 192 CA HIS A 16 4.358 18.528 0.803 1.00 0.00 C ATOM 193 C HIS A 16 3.078 19.260 1.196 1.00 0.00 C ATOM 194 O HIS A 16 2.391 19.829 0.347 1.00 0.00 O ATOM 195 CB HIS A 16 5.513 19.522 0.688 1.00 0.00 C ATOM 196 CG HIS A 16 6.203 19.791 1.990 1.00 0.00 C ATOM 197 ND1 HIS A 16 5.901 20.870 2.794 1.00 0.00 N ATOM 198 CD2 HIS A 16 7.185 19.112 2.629 1.00 0.00 C ATOM 199 CE1 HIS A 16 6.668 20.844 3.869 1.00 0.00 C ATOM 200 NE2 HIS A 16 7.456 19.787 3.793 1.00 0.00 N ATOM 0 H HIS A 16 4.762 18.150 -1.220 1.00 0.00 H new ATOM 0 HA HIS A 16 4.592 17.799 1.579 1.00 0.00 H new ATOM 0 HB2 HIS A 16 6.241 19.139 -0.027 1.00 0.00 H new ATOM 0 HB3 HIS A 16 5.134 20.462 0.286 1.00 0.00 H new ATOM 0 HD2 HIS A 16 7.666 18.208 2.286 1.00 0.00 H new ATOM 0 HE1 HIS A 16 6.653 21.565 4.673 1.00 0.00 H new ATOM 0 HE2 HIS A 16 8.153 19.516 4.487 1.00 0.00 H new ATOM 209 N VAL A 17 2.764 19.241 2.487 1.00 0.00 N ATOM 210 CA VAL A 17 1.567 19.903 2.993 1.00 0.00 C ATOM 211 C VAL A 17 1.926 21.149 3.794 1.00 0.00 C ATOM 212 O VAL A 17 2.961 21.198 4.458 1.00 0.00 O ATOM 213 CB VAL A 17 0.735 18.958 3.879 1.00 0.00 C ATOM 214 CG1 VAL A 17 0.175 17.808 3.056 1.00 0.00 C ATOM 215 CG2 VAL A 17 1.574 18.436 5.036 1.00 0.00 C ATOM 0 H VAL A 17 3.322 18.774 3.202 1.00 0.00 H new ATOM 0 HA VAL A 17 0.973 20.191 2.125 1.00 0.00 H new ATOM 0 HB VAL A 17 -0.103 19.520 4.291 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -0.410 17.151 3.700 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -0.463 18.203 2.265 1.00 0.00 H new ATOM 0 HG13 VAL A 17 0.996 17.244 2.612 1.00 0.00 H new ATOM 0 HG21 VAL A 17 0.970 17.770 5.652 1.00 0.00 H new ATOM 0 HG22 VAL A 17 2.433 17.890 4.645 1.00 0.00 H new ATOM 0 HG23 VAL A 17 1.921 19.274 5.641 1.00 0.00 H new ATOM 225 N LYS A 18 1.062 22.157 3.728 1.00 0.00 N ATOM 226 CA LYS A 18 1.285 23.405 4.449 1.00 0.00 C ATOM 227 C LYS A 18 0.049 23.798 5.252 1.00 0.00 C ATOM 228 O LYS A 18 -0.286 24.979 5.357 1.00 0.00 O ATOM 229 CB LYS A 18 1.649 24.524 3.471 1.00 0.00 C ATOM 230 CG LYS A 18 0.490 24.965 2.593 1.00 0.00 C ATOM 231 CD LYS A 18 0.402 24.129 1.327 1.00 0.00 C ATOM 232 CE LYS A 18 -0.208 24.920 0.179 1.00 0.00 C ATOM 233 NZ LYS A 18 0.797 25.793 -0.488 1.00 0.00 N ATOM 0 H LYS A 18 0.201 22.134 3.182 1.00 0.00 H new ATOM 0 HA LYS A 18 2.113 23.253 5.142 1.00 0.00 H new ATOM 0 HB2 LYS A 18 2.015 25.383 4.034 1.00 0.00 H new ATOM 0 HB3 LYS A 18 2.468 24.188 2.835 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -0.443 24.882 3.151 1.00 0.00 H new ATOM 0 HG3 LYS A 18 0.611 26.016 2.329 1.00 0.00 H new ATOM 0 HD2 LYS A 18 1.398 23.786 1.046 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -0.199 23.240 1.518 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -0.633 24.231 -0.551 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -1.028 25.532 0.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 0.343 26.315 -1.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 1.184 26.467 0.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 1.567 25.207 -0.869 1.00 0.00 H new ATOM 247 N LEU A 19 -0.624 22.802 5.817 1.00 0.00 N ATOM 248 CA LEU A 19 -1.823 23.045 6.613 1.00 0.00 C ATOM 249 C LEU A 19 -1.565 22.757 8.088 1.00 0.00 C ATOM 250 O LEU A 19 -1.225 21.634 8.463 1.00 0.00 O ATOM 251 CB LEU A 19 -2.978 22.178 6.107 1.00 0.00 C ATOM 252 CG LEU A 19 -4.385 22.724 6.355 1.00 0.00 C ATOM 253 CD1 LEU A 19 -5.369 22.139 5.353 1.00 0.00 C ATOM 254 CD2 LEU A 19 -4.830 22.425 7.779 1.00 0.00 C ATOM 0 H LEU A 19 -0.361 21.820 5.739 1.00 0.00 H new ATOM 0 HA LEU A 19 -2.092 24.096 6.509 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.851 22.029 5.035 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.902 21.197 6.576 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.363 23.806 6.222 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -6.365 22.539 5.545 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -5.060 22.405 4.342 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -5.388 21.054 5.453 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.833 22.821 7.937 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.836 21.347 7.940 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.140 22.893 8.482 1.00 0.00 H new ATOM 266 N LEU A 20 -1.730 23.778 8.922 1.00 0.00 N ATOM 267 CA LEU A 20 -1.518 23.634 10.358 1.00 0.00 C ATOM 268 C LEU A 20 -2.281 22.432 10.905 1.00 0.00 C ATOM 269 O LEU A 20 -3.310 22.037 10.358 1.00 0.00 O ATOM 270 CB LEU A 20 -1.955 24.906 11.088 1.00 0.00 C ATOM 271 CG LEU A 20 -3.464 25.123 11.212 1.00 0.00 C ATOM 272 CD1 LEU A 20 -3.989 24.500 12.496 1.00 0.00 C ATOM 273 CD2 LEU A 20 -3.795 26.607 11.162 1.00 0.00 C ATOM 0 H LEU A 20 -2.010 24.714 8.629 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.454 23.472 10.528 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.527 24.891 12.090 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.526 25.764 10.570 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.953 24.634 10.369 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.064 24.664 12.567 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.785 23.429 12.491 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.494 24.959 13.352 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -4.873 26.743 11.252 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.295 27.119 11.984 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.454 27.024 10.214 1.00 0.00 H new ATOM 285 N GLY A 21 -1.771 21.856 11.989 1.00 0.00 N ATOM 286 CA GLY A 21 -2.419 20.707 12.593 1.00 0.00 C ATOM 287 C GLY A 21 -3.733 21.064 13.258 1.00 0.00 C ATOM 288 O GLY A 21 -3.894 22.148 13.820 1.00 0.00 O ATOM 0 H GLY A 21 -0.920 22.165 12.460 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -2.596 19.951 11.828 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -1.751 20.264 13.331 1.00 0.00 H new ATOM 292 N PRO A 22 -4.703 20.140 13.196 1.00 0.00 N ATOM 293 CA PRO A 22 -6.027 20.341 13.791 1.00 0.00 C ATOM 294 C PRO A 22 -5.985 20.337 15.315 1.00 0.00 C ATOM 295 O PRO A 22 -4.982 19.955 15.917 1.00 0.00 O ATOM 296 CB PRO A 22 -6.833 19.146 13.275 1.00 0.00 C ATOM 297 CG PRO A 22 -5.815 18.096 12.993 1.00 0.00 C ATOM 298 CD PRO A 22 -4.581 18.826 12.542 1.00 0.00 C ATOM 0 HA PRO A 22 -6.452 21.308 13.521 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -7.557 18.807 14.016 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -7.394 19.405 12.377 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -5.612 17.500 13.883 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -6.166 17.409 12.222 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -3.673 18.307 12.849 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -4.544 18.919 11.457 1.00 0.00 H new ATOM 306 N SER A 23 -7.081 20.765 15.934 1.00 0.00 N ATOM 307 CA SER A 23 -7.168 20.814 17.388 1.00 0.00 C ATOM 308 C SER A 23 -7.132 19.409 17.982 1.00 0.00 C ATOM 309 O SER A 23 -6.398 19.143 18.934 1.00 0.00 O ATOM 310 CB SER A 23 -8.449 21.530 17.820 1.00 0.00 C ATOM 311 OG SER A 23 -8.456 22.875 17.376 1.00 0.00 O ATOM 0 H SER A 23 -7.921 21.083 15.450 1.00 0.00 H new ATOM 0 HA SER A 23 -6.307 21.369 17.760 1.00 0.00 H new ATOM 0 HB2 SER A 23 -9.316 21.006 17.417 1.00 0.00 H new ATOM 0 HB3 SER A 23 -8.536 21.502 18.906 1.00 0.00 H new ATOM 0 HG SER A 23 -9.286 23.310 17.663 1.00 0.00 H new ATOM 317 N SER A 24 -7.931 18.512 17.412 1.00 0.00 N ATOM 318 CA SER A 24 -7.995 17.134 17.886 1.00 0.00 C ATOM 319 C SER A 24 -8.148 16.164 16.719 1.00 0.00 C ATOM 320 O SER A 24 -9.106 16.248 15.951 1.00 0.00 O ATOM 321 CB SER A 24 -9.159 16.962 18.863 1.00 0.00 C ATOM 322 OG SER A 24 -9.194 15.647 19.389 1.00 0.00 O ATOM 0 H SER A 24 -8.543 18.715 16.622 1.00 0.00 H new ATOM 0 HA SER A 24 -7.061 16.910 18.402 1.00 0.00 H new ATOM 0 HB2 SER A 24 -9.063 17.680 19.677 1.00 0.00 H new ATOM 0 HB3 SER A 24 -10.099 17.179 18.355 1.00 0.00 H new ATOM 0 HG SER A 24 -9.946 15.564 20.012 1.00 0.00 H new ATOM 328 N GLU A 25 -7.197 15.245 16.593 1.00 0.00 N ATOM 329 CA GLU A 25 -7.225 14.259 15.518 1.00 0.00 C ATOM 330 C GLU A 25 -8.311 13.216 15.766 1.00 0.00 C ATOM 331 O GLU A 25 -8.249 12.457 16.734 1.00 0.00 O ATOM 332 CB GLU A 25 -5.864 13.573 15.388 1.00 0.00 C ATOM 333 CG GLU A 25 -5.829 12.483 14.331 1.00 0.00 C ATOM 334 CD GLU A 25 -5.844 13.039 12.920 1.00 0.00 C ATOM 335 OE1 GLU A 25 -6.940 13.386 12.431 1.00 0.00 O ATOM 336 OE2 GLU A 25 -4.761 13.126 12.305 1.00 0.00 O ATOM 0 H GLU A 25 -6.398 15.162 17.221 1.00 0.00 H new ATOM 0 HA GLU A 25 -7.450 14.780 14.588 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -5.110 14.323 15.149 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -5.591 13.142 16.351 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -4.934 11.876 14.469 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -6.686 11.823 14.467 1.00 0.00 H new ATOM 343 N ARG A 26 -9.305 13.184 14.885 1.00 0.00 N ATOM 344 CA ARG A 26 -10.406 12.236 15.008 1.00 0.00 C ATOM 345 C ARG A 26 -10.132 10.976 14.192 1.00 0.00 C ATOM 346 O ARG A 26 -9.784 11.051 13.014 1.00 0.00 O ATOM 347 CB ARG A 26 -11.715 12.879 14.548 1.00 0.00 C ATOM 348 CG ARG A 26 -11.788 13.106 13.047 1.00 0.00 C ATOM 349 CD ARG A 26 -12.661 14.304 12.707 1.00 0.00 C ATOM 350 NE ARG A 26 -12.407 14.800 11.357 1.00 0.00 N ATOM 351 CZ ARG A 26 -12.824 14.184 10.257 1.00 0.00 C ATOM 352 NH1 ARG A 26 -13.511 13.053 10.346 1.00 0.00 N ATOM 353 NH2 ARG A 26 -12.553 14.698 9.064 1.00 0.00 N ATOM 0 H ARG A 26 -9.371 13.804 14.078 1.00 0.00 H new ATOM 0 HA ARG A 26 -10.496 11.957 16.058 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -12.548 12.245 14.852 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -11.839 13.834 15.058 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -10.784 13.262 12.652 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -12.186 12.215 12.562 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -13.711 14.026 12.799 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -12.478 15.102 13.427 1.00 0.00 H new ATOM 0 HE ARG A 26 -11.880 15.667 11.253 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -13.720 12.654 11.261 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -13.830 12.582 9.499 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -12.024 15.567 8.991 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -12.874 14.224 8.220 1.00 0.00 H new ATOM 367 N ALA A 27 -10.290 9.820 14.828 1.00 0.00 N ATOM 368 CA ALA A 27 -10.062 8.544 14.161 1.00 0.00 C ATOM 369 C ALA A 27 -10.582 7.383 15.003 1.00 0.00 C ATOM 370 O ALA A 27 -10.453 7.384 16.228 1.00 0.00 O ATOM 371 CB ALA A 27 -8.580 8.361 13.866 1.00 0.00 C ATOM 0 H ALA A 27 -10.575 9.741 15.804 1.00 0.00 H new ATOM 0 HA ALA A 27 -10.612 8.551 13.220 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -8.424 7.404 13.368 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -8.236 9.168 13.219 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -8.018 8.380 14.800 1.00 0.00 H new ATOM 377 N THR A 28 -11.172 6.394 14.339 1.00 0.00 N ATOM 378 CA THR A 28 -11.714 5.229 15.026 1.00 0.00 C ATOM 379 C THR A 28 -10.600 4.291 15.479 1.00 0.00 C ATOM 380 O THR A 28 -9.610 4.080 14.779 1.00 0.00 O ATOM 381 CB THR A 28 -12.690 4.449 14.125 1.00 0.00 C ATOM 382 OG1 THR A 28 -12.025 4.031 12.928 1.00 0.00 O ATOM 383 CG2 THR A 28 -13.897 5.304 13.768 1.00 0.00 C ATOM 0 H THR A 28 -11.287 6.377 13.326 1.00 0.00 H new ATOM 0 HA THR A 28 -12.253 5.599 15.899 1.00 0.00 H new ATOM 0 HB THR A 28 -13.034 3.572 14.674 1.00 0.00 H new ATOM 0 HG1 THR A 28 -11.833 3.071 12.979 1.00 0.00 H new ATOM 0 HG21 THR A 28 -14.572 4.732 13.131 1.00 0.00 H new ATOM 0 HG22 THR A 28 -14.418 5.596 14.680 1.00 0.00 H new ATOM 0 HG23 THR A 28 -13.566 6.197 13.237 1.00 0.00 H new ATOM 391 N PRO A 29 -10.764 3.714 16.679 1.00 0.00 N ATOM 392 CA PRO A 29 -9.783 2.788 17.252 1.00 0.00 C ATOM 393 C PRO A 29 -9.738 1.457 16.509 1.00 0.00 C ATOM 394 O PRO A 29 -8.853 0.635 16.742 1.00 0.00 O ATOM 395 CB PRO A 29 -10.283 2.583 18.685 1.00 0.00 C ATOM 396 CG PRO A 29 -11.746 2.858 18.618 1.00 0.00 C ATOM 397 CD PRO A 29 -11.920 3.920 17.567 1.00 0.00 C ATOM 0 HA PRO A 29 -8.768 3.182 17.192 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -10.086 1.569 19.032 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -9.784 3.259 19.379 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -12.301 1.957 18.358 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -12.124 3.198 19.582 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -12.863 3.805 17.032 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -11.920 4.920 18.002 1.00 0.00 H new ATOM 405 N ALA A 30 -10.698 1.252 15.613 1.00 0.00 N ATOM 406 CA ALA A 30 -10.766 0.023 14.834 1.00 0.00 C ATOM 407 C ALA A 30 -10.423 0.280 13.370 1.00 0.00 C ATOM 408 O ALA A 30 -11.192 0.909 12.643 1.00 0.00 O ATOM 409 CB ALA A 30 -12.149 -0.601 14.951 1.00 0.00 C ATOM 0 H ALA A 30 -11.439 1.922 15.409 1.00 0.00 H new ATOM 0 HA ALA A 30 -10.030 -0.673 15.236 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -12.185 -1.519 14.364 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -12.357 -0.831 15.996 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -12.897 0.099 14.577 1.00 0.00 H new ATOM 415 N PHE A 31 -9.262 -0.208 12.945 1.00 0.00 N ATOM 416 CA PHE A 31 -8.816 -0.029 11.568 1.00 0.00 C ATOM 417 C PHE A 31 -9.080 -1.285 10.743 1.00 0.00 C ATOM 418 O PHE A 31 -8.713 -2.392 11.142 1.00 0.00 O ATOM 419 CB PHE A 31 -7.326 0.315 11.533 1.00 0.00 C ATOM 420 CG PHE A 31 -6.431 -0.880 11.704 1.00 0.00 C ATOM 421 CD1 PHE A 31 -6.137 -1.367 12.967 1.00 0.00 C ATOM 422 CD2 PHE A 31 -5.885 -1.516 10.601 1.00 0.00 C ATOM 423 CE1 PHE A 31 -5.313 -2.465 13.127 1.00 0.00 C ATOM 424 CE2 PHE A 31 -5.061 -2.615 10.754 1.00 0.00 C ATOM 425 CZ PHE A 31 -4.776 -3.091 12.019 1.00 0.00 C ATOM 0 H PHE A 31 -8.613 -0.730 13.534 1.00 0.00 H new ATOM 0 HA PHE A 31 -9.382 0.795 11.133 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -7.095 0.799 10.584 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -7.109 1.037 12.320 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -6.556 -0.883 13.837 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -6.106 -1.149 9.610 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -5.089 -2.833 14.117 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -4.641 -3.101 9.886 1.00 0.00 H new ATOM 0 HZ PHE A 31 -4.134 -3.951 12.142 1.00 0.00 H new ATOM 435 N HIS A 32 -9.718 -1.107 9.591 1.00 0.00 N ATOM 436 CA HIS A 32 -10.031 -2.225 8.709 1.00 0.00 C ATOM 437 C HIS A 32 -9.582 -1.932 7.280 1.00 0.00 C ATOM 438 O HIS A 32 -10.247 -1.218 6.529 1.00 0.00 O ATOM 439 CB HIS A 32 -11.531 -2.519 8.735 1.00 0.00 C ATOM 440 CG HIS A 32 -12.355 -1.490 8.024 1.00 0.00 C ATOM 441 ND1 HIS A 32 -13.299 -1.809 7.071 1.00 0.00 N ATOM 442 CD2 HIS A 32 -12.374 -0.141 8.133 1.00 0.00 C ATOM 443 CE1 HIS A 32 -13.861 -0.701 6.623 1.00 0.00 C ATOM 444 NE2 HIS A 32 -13.318 0.326 7.251 1.00 0.00 N ATOM 0 H HIS A 32 -10.028 -0.199 9.246 1.00 0.00 H new ATOM 0 HA HIS A 32 -9.491 -3.101 9.068 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -11.710 -3.493 8.280 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -11.862 -2.585 9.771 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -11.761 0.457 8.791 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -14.634 -0.644 5.871 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -13.560 1.306 7.105 1.00 0.00 H new ATOM 453 N PRO A 33 -8.428 -2.496 6.894 1.00 0.00 N ATOM 454 CA PRO A 33 -7.865 -2.309 5.554 1.00 0.00 C ATOM 455 C PRO A 33 -8.683 -3.016 4.478 1.00 0.00 C ATOM 456 O PRO A 33 -9.627 -3.746 4.781 1.00 0.00 O ATOM 457 CB PRO A 33 -6.472 -2.935 5.663 1.00 0.00 C ATOM 458 CG PRO A 33 -6.591 -3.932 6.763 1.00 0.00 C ATOM 459 CD PRO A 33 -7.584 -3.359 7.737 1.00 0.00 C ATOM 0 HA PRO A 33 -7.854 -1.259 5.260 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -6.177 -3.411 4.728 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -5.716 -2.183 5.890 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -6.930 -4.895 6.382 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -5.627 -4.101 7.243 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -8.168 -4.141 8.223 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -7.091 -2.792 8.527 1.00 0.00 H new ATOM 467 N VAL A 34 -8.316 -2.794 3.220 1.00 0.00 N ATOM 468 CA VAL A 34 -9.014 -3.411 2.099 1.00 0.00 C ATOM 469 C VAL A 34 -8.338 -4.710 1.678 1.00 0.00 C ATOM 470 O VAL A 34 -8.995 -5.640 1.207 1.00 0.00 O ATOM 471 CB VAL A 34 -9.079 -2.462 0.887 1.00 0.00 C ATOM 472 CG1 VAL A 34 -7.785 -2.525 0.090 1.00 0.00 C ATOM 473 CG2 VAL A 34 -10.273 -2.802 0.008 1.00 0.00 C ATOM 0 H VAL A 34 -7.538 -2.191 2.952 1.00 0.00 H new ATOM 0 HA VAL A 34 -10.028 -3.626 2.437 1.00 0.00 H new ATOM 0 HB VAL A 34 -9.204 -1.442 1.252 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -7.849 -1.848 -0.762 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -6.951 -2.229 0.726 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -7.626 -3.543 -0.266 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -10.304 -2.122 -0.843 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -10.181 -3.827 -0.350 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -11.191 -2.701 0.586 1.00 0.00 H new ATOM 483 N CYS A 35 -7.022 -4.769 1.850 1.00 0.00 N ATOM 484 CA CYS A 35 -6.255 -5.955 1.487 1.00 0.00 C ATOM 485 C CYS A 35 -4.857 -5.905 2.094 1.00 0.00 C ATOM 486 O CYS A 35 -4.368 -4.838 2.461 1.00 0.00 O ATOM 487 CB CYS A 35 -6.160 -6.081 -0.034 1.00 0.00 C ATOM 488 SG CYS A 35 -7.506 -7.029 -0.782 1.00 0.00 S ATOM 0 H CYS A 35 -6.464 -4.009 2.239 1.00 0.00 H new ATOM 0 HA CYS A 35 -6.773 -6.828 1.884 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -6.147 -5.082 -0.470 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -5.211 -6.553 -0.290 1.00 0.00 H new ATOM 0 HG CYS A 35 -8.628 -6.722 -0.201 1.00 0.00 H new ATOM 494 N GLN A 36 -4.220 -7.068 2.197 1.00 0.00 N ATOM 495 CA GLN A 36 -2.879 -7.156 2.762 1.00 0.00 C ATOM 496 C GLN A 36 -1.865 -7.561 1.697 1.00 0.00 C ATOM 497 O GLN A 36 -2.049 -8.556 0.997 1.00 0.00 O ATOM 498 CB GLN A 36 -2.854 -8.161 3.915 1.00 0.00 C ATOM 499 CG GLN A 36 -1.640 -8.019 4.819 1.00 0.00 C ATOM 500 CD GLN A 36 -1.708 -8.923 6.034 1.00 0.00 C ATOM 501 OE1 GLN A 36 -2.566 -9.802 6.121 1.00 0.00 O ATOM 502 NE2 GLN A 36 -0.802 -8.711 6.982 1.00 0.00 N ATOM 0 H GLN A 36 -4.611 -7.961 1.897 1.00 0.00 H new ATOM 0 HA GLN A 36 -2.606 -6.171 3.141 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -3.758 -8.039 4.512 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -2.876 -9.171 3.506 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -0.739 -8.249 4.250 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -1.555 -6.983 5.146 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -0.109 -7.971 6.869 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -0.799 -9.288 7.823 1.00 0.00 H new ATOM 511 N VAL A 37 -0.795 -6.782 1.580 1.00 0.00 N ATOM 512 CA VAL A 37 0.249 -7.059 0.600 1.00 0.00 C ATOM 513 C VAL A 37 1.610 -7.203 1.273 1.00 0.00 C ATOM 514 O VAL A 37 1.732 -7.049 2.489 1.00 0.00 O ATOM 515 CB VAL A 37 0.330 -5.949 -0.464 1.00 0.00 C ATOM 516 CG1 VAL A 37 -0.954 -5.895 -1.278 1.00 0.00 C ATOM 517 CG2 VAL A 37 0.613 -4.605 0.189 1.00 0.00 C ATOM 0 H VAL A 37 -0.628 -5.954 2.152 1.00 0.00 H new ATOM 0 HA VAL A 37 -0.015 -7.998 0.114 1.00 0.00 H new ATOM 0 HB VAL A 37 1.152 -6.179 -1.141 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.878 -5.105 -2.025 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.109 -6.852 -1.777 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.796 -5.690 -0.617 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.667 -3.832 -0.578 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.187 -4.366 0.890 1.00 0.00 H new ATOM 0 HG23 VAL A 37 1.562 -4.653 0.723 1.00 0.00 H new ATOM 527 N ILE A 38 2.630 -7.499 0.475 1.00 0.00 N ATOM 528 CA ILE A 38 3.982 -7.662 0.993 1.00 0.00 C ATOM 529 C ILE A 38 4.988 -6.871 0.163 1.00 0.00 C ATOM 530 O ILE A 38 4.936 -6.880 -1.067 1.00 0.00 O ATOM 531 CB ILE A 38 4.403 -9.143 1.014 1.00 0.00 C ATOM 532 CG1 ILE A 38 5.420 -9.391 2.129 1.00 0.00 C ATOM 533 CG2 ILE A 38 4.977 -9.550 -0.335 1.00 0.00 C ATOM 534 CD1 ILE A 38 5.354 -10.787 2.708 1.00 0.00 C ATOM 0 H ILE A 38 2.546 -7.631 -0.533 1.00 0.00 H new ATOM 0 HA ILE A 38 3.976 -7.280 2.014 1.00 0.00 H new ATOM 0 HB ILE A 38 3.521 -9.753 1.210 1.00 0.00 H new ATOM 0 HG12 ILE A 38 6.423 -9.215 1.741 1.00 0.00 H new ATOM 0 HG13 ILE A 38 5.256 -8.667 2.927 1.00 0.00 H new ATOM 0 HG21 ILE A 38 5.270 -10.599 -0.304 1.00 0.00 H new ATOM 0 HG22 ILE A 38 4.223 -9.406 -1.109 1.00 0.00 H new ATOM 0 HG23 ILE A 38 5.849 -8.936 -0.559 1.00 0.00 H new ATOM 0 HD11 ILE A 38 6.103 -10.891 3.493 1.00 0.00 H new ATOM 0 HD12 ILE A 38 4.363 -10.961 3.127 1.00 0.00 H new ATOM 0 HD13 ILE A 38 5.549 -11.517 1.922 1.00 0.00 H new ATOM 546 N ALA A 39 5.904 -6.191 0.843 1.00 0.00 N ATOM 547 CA ALA A 39 6.925 -5.398 0.169 1.00 0.00 C ATOM 548 C ALA A 39 7.823 -6.279 -0.693 1.00 0.00 C ATOM 549 O ALA A 39 8.246 -7.354 -0.268 1.00 0.00 O ATOM 550 CB ALA A 39 7.755 -4.630 1.187 1.00 0.00 C ATOM 0 H ALA A 39 5.960 -6.173 1.861 1.00 0.00 H new ATOM 0 HA ALA A 39 6.423 -4.685 -0.485 1.00 0.00 H new ATOM 0 HB1 ALA A 39 8.513 -4.042 0.669 1.00 0.00 H new ATOM 0 HB2 ALA A 39 7.107 -3.964 1.757 1.00 0.00 H new ATOM 0 HB3 ALA A 39 8.240 -5.332 1.865 1.00 0.00 H new ATOM 556 N MET A 40 8.110 -5.817 -1.905 1.00 0.00 N ATOM 557 CA MET A 40 8.960 -6.564 -2.826 1.00 0.00 C ATOM 558 C MET A 40 10.418 -6.139 -2.686 1.00 0.00 C ATOM 559 O MET A 40 11.328 -6.961 -2.805 1.00 0.00 O ATOM 560 CB MET A 40 8.492 -6.355 -4.268 1.00 0.00 C ATOM 561 CG MET A 40 7.235 -7.136 -4.618 1.00 0.00 C ATOM 562 SD MET A 40 7.075 -7.437 -6.388 1.00 0.00 S ATOM 563 CE MET A 40 7.130 -5.762 -7.022 1.00 0.00 C ATOM 0 H MET A 40 7.767 -4.930 -2.273 1.00 0.00 H new ATOM 0 HA MET A 40 8.883 -7.622 -2.576 1.00 0.00 H new ATOM 0 HB2 MET A 40 8.307 -5.293 -4.431 1.00 0.00 H new ATOM 0 HB3 MET A 40 9.293 -6.648 -4.947 1.00 0.00 H new ATOM 0 HG2 MET A 40 7.246 -8.090 -4.091 1.00 0.00 H new ATOM 0 HG3 MET A 40 6.361 -6.587 -4.266 1.00 0.00 H new ATOM 0 HE1 MET A 40 6.135 -5.465 -7.353 1.00 0.00 H new ATOM 0 HE2 MET A 40 7.468 -5.086 -6.236 1.00 0.00 H new ATOM 0 HE3 MET A 40 7.821 -5.714 -7.863 1.00 0.00 H new ATOM 573 N TYR A 41 10.634 -4.853 -2.434 1.00 0.00 N ATOM 574 CA TYR A 41 11.982 -4.320 -2.280 1.00 0.00 C ATOM 575 C TYR A 41 12.058 -3.363 -1.094 1.00 0.00 C ATOM 576 O TYR A 41 11.073 -2.716 -0.740 1.00 0.00 O ATOM 577 CB TYR A 41 12.417 -3.601 -3.558 1.00 0.00 C ATOM 578 CG TYR A 41 11.798 -4.171 -4.815 1.00 0.00 C ATOM 579 CD1 TYR A 41 12.419 -5.198 -5.515 1.00 0.00 C ATOM 580 CD2 TYR A 41 10.591 -3.683 -5.301 1.00 0.00 C ATOM 581 CE1 TYR A 41 11.857 -5.721 -6.663 1.00 0.00 C ATOM 582 CE2 TYR A 41 10.021 -4.201 -6.448 1.00 0.00 C ATOM 583 CZ TYR A 41 10.658 -5.220 -7.125 1.00 0.00 C ATOM 584 OH TYR A 41 10.094 -5.739 -8.268 1.00 0.00 O ATOM 0 H TYR A 41 9.892 -4.160 -2.332 1.00 0.00 H new ATOM 0 HA TYR A 41 12.656 -5.156 -2.093 1.00 0.00 H new ATOM 0 HB2 TYR A 41 12.153 -2.546 -3.479 1.00 0.00 H new ATOM 0 HB3 TYR A 41 13.503 -3.652 -3.642 1.00 0.00 H new ATOM 0 HD1 TYR A 41 13.357 -5.594 -5.155 1.00 0.00 H new ATOM 0 HD2 TYR A 41 10.090 -2.885 -4.773 1.00 0.00 H new ATOM 0 HE1 TYR A 41 12.354 -6.518 -7.196 1.00 0.00 H new ATOM 0 HE2 TYR A 41 9.082 -3.810 -6.812 1.00 0.00 H new ATOM 0 HH TYR A 41 10.347 -6.682 -8.359 1.00 0.00 H new ATOM 594 N ASP A 42 13.235 -3.280 -0.485 1.00 0.00 N ATOM 595 CA ASP A 42 13.443 -2.402 0.661 1.00 0.00 C ATOM 596 C ASP A 42 13.103 -0.957 0.307 1.00 0.00 C ATOM 597 O ASP A 42 13.893 -0.261 -0.331 1.00 0.00 O ATOM 598 CB ASP A 42 14.890 -2.494 1.145 1.00 0.00 C ATOM 599 CG ASP A 42 15.884 -2.514 0.001 1.00 0.00 C ATOM 600 OD1 ASP A 42 16.284 -1.423 -0.458 1.00 0.00 O ATOM 601 OD2 ASP A 42 16.263 -3.621 -0.436 1.00 0.00 O ATOM 0 H ASP A 42 14.060 -3.810 -0.765 1.00 0.00 H new ATOM 0 HA ASP A 42 12.779 -2.727 1.462 1.00 0.00 H new ATOM 0 HB2 ASP A 42 15.107 -1.647 1.796 1.00 0.00 H new ATOM 0 HB3 ASP A 42 15.013 -3.396 1.745 1.00 0.00 H new ATOM 606 N TYR A 43 11.922 -0.514 0.723 1.00 0.00 N ATOM 607 CA TYR A 43 11.475 0.846 0.447 1.00 0.00 C ATOM 608 C TYR A 43 11.907 1.797 1.559 1.00 0.00 C ATOM 609 O TYR A 43 11.706 1.520 2.741 1.00 0.00 O ATOM 610 CB TYR A 43 9.954 0.884 0.290 1.00 0.00 C ATOM 611 CG TYR A 43 9.451 2.113 -0.433 1.00 0.00 C ATOM 612 CD1 TYR A 43 9.528 3.369 0.156 1.00 0.00 C ATOM 613 CD2 TYR A 43 8.897 2.018 -1.703 1.00 0.00 C ATOM 614 CE1 TYR A 43 9.068 4.495 -0.500 1.00 0.00 C ATOM 615 CE2 TYR A 43 8.436 3.139 -2.367 1.00 0.00 C ATOM 616 CZ TYR A 43 8.524 4.375 -1.761 1.00 0.00 C ATOM 617 OH TYR A 43 8.065 5.493 -2.419 1.00 0.00 O ATOM 0 H TYR A 43 11.257 -1.077 1.253 1.00 0.00 H new ATOM 0 HA TYR A 43 11.937 1.171 -0.485 1.00 0.00 H new ATOM 0 HB2 TYR A 43 9.631 -0.004 -0.253 1.00 0.00 H new ATOM 0 HB3 TYR A 43 9.494 0.840 1.277 1.00 0.00 H new ATOM 0 HD1 TYR A 43 9.955 3.467 1.143 1.00 0.00 H new ATOM 0 HD2 TYR A 43 8.825 1.052 -2.180 1.00 0.00 H new ATOM 0 HE1 TYR A 43 9.134 5.464 -0.027 1.00 0.00 H new ATOM 0 HE2 TYR A 43 8.009 3.048 -3.355 1.00 0.00 H new ATOM 0 HH TYR A 43 7.937 5.285 -3.368 1.00 0.00 H new ATOM 627 N ALA A 44 12.499 2.922 1.170 1.00 0.00 N ATOM 628 CA ALA A 44 12.957 3.916 2.133 1.00 0.00 C ATOM 629 C ALA A 44 12.368 5.289 1.826 1.00 0.00 C ATOM 630 O ALA A 44 12.811 5.972 0.903 1.00 0.00 O ATOM 631 CB ALA A 44 14.477 3.982 2.141 1.00 0.00 C ATOM 0 H ALA A 44 12.672 3.167 0.195 1.00 0.00 H new ATOM 0 HA ALA A 44 12.612 3.614 3.122 1.00 0.00 H new ATOM 0 HB1 ALA A 44 14.805 4.728 2.865 1.00 0.00 H new ATOM 0 HB2 ALA A 44 14.882 3.008 2.415 1.00 0.00 H new ATOM 0 HB3 ALA A 44 14.834 4.257 1.149 1.00 0.00 H new ATOM 637 N ALA A 45 11.367 5.685 2.605 1.00 0.00 N ATOM 638 CA ALA A 45 10.718 6.977 2.416 1.00 0.00 C ATOM 639 C ALA A 45 11.713 8.121 2.582 1.00 0.00 C ATOM 640 O ALA A 45 12.355 8.252 3.623 1.00 0.00 O ATOM 641 CB ALA A 45 9.563 7.135 3.393 1.00 0.00 C ATOM 0 H ALA A 45 10.988 5.130 3.372 1.00 0.00 H new ATOM 0 HA ALA A 45 10.328 7.014 1.399 1.00 0.00 H new ATOM 0 HB1 ALA A 45 9.088 8.104 3.241 1.00 0.00 H new ATOM 0 HB2 ALA A 45 8.834 6.343 3.225 1.00 0.00 H new ATOM 0 HB3 ALA A 45 9.939 7.072 4.414 1.00 0.00 H new ATOM 647 N ASN A 46 11.837 8.946 1.547 1.00 0.00 N ATOM 648 CA ASN A 46 12.756 10.078 1.578 1.00 0.00 C ATOM 649 C ASN A 46 12.355 11.075 2.661 1.00 0.00 C ATOM 650 O ASN A 46 13.155 11.913 3.074 1.00 0.00 O ATOM 651 CB ASN A 46 12.788 10.773 0.216 1.00 0.00 C ATOM 652 CG ASN A 46 13.743 10.104 -0.753 1.00 0.00 C ATOM 653 OD1 ASN A 46 14.926 10.442 -0.809 1.00 0.00 O ATOM 654 ND2 ASN A 46 13.234 9.149 -1.523 1.00 0.00 N ATOM 0 H ASN A 46 11.313 8.852 0.677 1.00 0.00 H new ATOM 0 HA ASN A 46 13.752 9.699 1.809 1.00 0.00 H new ATOM 0 HB2 ASN A 46 11.785 10.776 -0.211 1.00 0.00 H new ATOM 0 HB3 ASN A 46 13.081 11.814 0.350 1.00 0.00 H new ATOM 0 HD21 ASN A 46 13.829 8.664 -2.194 1.00 0.00 H new ATOM 0 HD22 ASN A 46 12.248 8.901 -1.443 1.00 0.00 H new ATOM 661 N ASN A 47 11.110 10.976 3.117 1.00 0.00 N ATOM 662 CA ASN A 47 10.602 11.869 4.152 1.00 0.00 C ATOM 663 C ASN A 47 9.420 11.238 4.882 1.00 0.00 C ATOM 664 O ASN A 47 8.966 10.152 4.525 1.00 0.00 O ATOM 665 CB ASN A 47 10.184 13.207 3.540 1.00 0.00 C ATOM 666 CG ASN A 47 9.657 13.057 2.126 1.00 0.00 C ATOM 667 OD1 ASN A 47 8.696 12.159 1.946 1.00 0.00 O flip ATOM 668 ND2 ASN A 47 10.109 13.741 1.208 1.00 0.00 N flip ATOM 0 H ASN A 47 10.435 10.287 2.786 1.00 0.00 H new ATOM 0 HA ASN A 47 11.401 12.042 4.873 1.00 0.00 H new ATOM 0 HB2 ASN A 47 9.417 13.665 4.164 1.00 0.00 H new ATOM 0 HB3 ASN A 47 11.038 13.884 3.537 1.00 0.00 H new ATOM 0 HD21 ASN A 47 10.848 14.419 1.393 1.00 0.00 H new ATOM 0 HD22 ASN A 47 9.745 13.630 0.262 1.00 0.00 H new ATOM 675 N GLU A 48 8.925 11.930 5.904 1.00 0.00 N ATOM 676 CA GLU A 48 7.796 11.437 6.683 1.00 0.00 C ATOM 677 C GLU A 48 6.576 11.217 5.794 1.00 0.00 C ATOM 678 O GLU A 48 5.766 10.323 6.042 1.00 0.00 O ATOM 679 CB GLU A 48 7.453 12.421 7.804 1.00 0.00 C ATOM 680 CG GLU A 48 6.768 13.686 7.314 1.00 0.00 C ATOM 681 CD GLU A 48 6.742 14.779 8.365 1.00 0.00 C ATOM 682 OE1 GLU A 48 6.395 14.478 9.527 1.00 0.00 O ATOM 683 OE2 GLU A 48 7.069 15.936 8.026 1.00 0.00 O ATOM 0 H GLU A 48 9.288 12.832 6.211 1.00 0.00 H new ATOM 0 HA GLU A 48 8.081 10.481 7.123 1.00 0.00 H new ATOM 0 HB2 GLU A 48 6.806 11.924 8.527 1.00 0.00 H new ATOM 0 HB3 GLU A 48 8.368 12.694 8.330 1.00 0.00 H new ATOM 0 HG2 GLU A 48 7.283 14.053 6.426 1.00 0.00 H new ATOM 0 HG3 GLU A 48 5.747 13.450 7.016 1.00 0.00 H new ATOM 690 N ASP A 49 6.451 12.039 4.757 1.00 0.00 N ATOM 691 CA ASP A 49 5.330 11.935 3.830 1.00 0.00 C ATOM 692 C ASP A 49 5.211 10.517 3.279 1.00 0.00 C ATOM 693 O ASP A 49 4.108 10.016 3.066 1.00 0.00 O ATOM 694 CB ASP A 49 5.498 12.930 2.680 1.00 0.00 C ATOM 695 CG ASP A 49 4.621 12.593 1.491 1.00 0.00 C ATOM 696 OD1 ASP A 49 5.043 11.765 0.658 1.00 0.00 O ATOM 697 OD2 ASP A 49 3.511 13.159 1.392 1.00 0.00 O ATOM 0 H ASP A 49 7.112 12.784 4.538 1.00 0.00 H new ATOM 0 HA ASP A 49 4.416 12.172 4.375 1.00 0.00 H new ATOM 0 HB2 ASP A 49 5.257 13.933 3.033 1.00 0.00 H new ATOM 0 HB3 ASP A 49 6.542 12.945 2.366 1.00 0.00 H new ATOM 702 N GLU A 50 6.354 9.879 3.049 1.00 0.00 N ATOM 703 CA GLU A 50 6.376 8.520 2.521 1.00 0.00 C ATOM 704 C GLU A 50 6.560 7.503 3.643 1.00 0.00 C ATOM 705 O GLU A 50 6.777 7.869 4.799 1.00 0.00 O ATOM 706 CB GLU A 50 7.498 8.367 1.492 1.00 0.00 C ATOM 707 CG GLU A 50 7.239 9.115 0.194 1.00 0.00 C ATOM 708 CD GLU A 50 8.518 9.481 -0.533 1.00 0.00 C ATOM 709 OE1 GLU A 50 9.300 8.561 -0.855 1.00 0.00 O ATOM 710 OE2 GLU A 50 8.738 10.685 -0.781 1.00 0.00 O ATOM 0 H GLU A 50 7.276 10.281 3.220 1.00 0.00 H new ATOM 0 HA GLU A 50 5.418 8.331 2.036 1.00 0.00 H new ATOM 0 HB2 GLU A 50 8.431 8.725 1.928 1.00 0.00 H new ATOM 0 HB3 GLU A 50 7.635 7.309 1.271 1.00 0.00 H new ATOM 0 HG2 GLU A 50 6.618 8.500 -0.458 1.00 0.00 H new ATOM 0 HG3 GLU A 50 6.675 10.023 0.408 1.00 0.00 H new ATOM 717 N LEU A 51 6.469 6.224 3.295 1.00 0.00 N ATOM 718 CA LEU A 51 6.625 5.152 4.273 1.00 0.00 C ATOM 719 C LEU A 51 7.928 4.393 4.046 1.00 0.00 C ATOM 720 O LEU A 51 8.267 4.045 2.915 1.00 0.00 O ATOM 721 CB LEU A 51 5.440 4.188 4.194 1.00 0.00 C ATOM 722 CG LEU A 51 5.009 3.545 5.513 1.00 0.00 C ATOM 723 CD1 LEU A 51 3.903 2.529 5.275 1.00 0.00 C ATOM 724 CD2 LEU A 51 6.198 2.891 6.201 1.00 0.00 C ATOM 0 H LEU A 51 6.288 5.904 2.344 1.00 0.00 H new ATOM 0 HA LEU A 51 6.656 5.601 5.266 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.587 4.725 3.779 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.690 3.394 3.490 1.00 0.00 H new ATOM 0 HG LEU A 51 4.622 4.326 6.167 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.609 2.082 6.225 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.043 3.026 4.826 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.263 1.750 4.603 1.00 0.00 H new ATOM 0 HD21 LEU A 51 5.873 2.439 7.138 1.00 0.00 H new ATOM 0 HD22 LEU A 51 6.616 2.121 5.552 1.00 0.00 H new ATOM 0 HD23 LEU A 51 6.959 3.644 6.407 1.00 0.00 H new ATOM 736 N SER A 52 8.655 4.138 5.130 1.00 0.00 N ATOM 737 CA SER A 52 9.922 3.421 5.049 1.00 0.00 C ATOM 738 C SER A 52 9.780 2.003 5.594 1.00 0.00 C ATOM 739 O SER A 52 9.452 1.805 6.764 1.00 0.00 O ATOM 740 CB SER A 52 11.007 4.172 5.824 1.00 0.00 C ATOM 741 OG SER A 52 11.446 5.314 5.111 1.00 0.00 O ATOM 0 H SER A 52 8.388 4.417 6.074 1.00 0.00 H new ATOM 0 HA SER A 52 10.211 3.360 4.000 1.00 0.00 H new ATOM 0 HB2 SER A 52 10.620 4.474 6.797 1.00 0.00 H new ATOM 0 HB3 SER A 52 11.852 3.508 6.009 1.00 0.00 H new ATOM 0 HG SER A 52 12.138 5.777 5.628 1.00 0.00 H new ATOM 747 N PHE A 53 10.029 1.019 4.736 1.00 0.00 N ATOM 748 CA PHE A 53 9.929 -0.381 5.130 1.00 0.00 C ATOM 749 C PHE A 53 11.002 -1.219 4.440 1.00 0.00 C ATOM 750 O PHE A 53 11.721 -0.730 3.569 1.00 0.00 O ATOM 751 CB PHE A 53 8.541 -0.930 4.790 1.00 0.00 C ATOM 752 CG PHE A 53 8.102 -0.622 3.387 1.00 0.00 C ATOM 753 CD1 PHE A 53 8.461 -1.452 2.337 1.00 0.00 C ATOM 754 CD2 PHE A 53 7.330 0.496 3.118 1.00 0.00 C ATOM 755 CE1 PHE A 53 8.059 -1.171 1.045 1.00 0.00 C ATOM 756 CE2 PHE A 53 6.925 0.783 1.828 1.00 0.00 C ATOM 757 CZ PHE A 53 7.289 -0.053 0.791 1.00 0.00 C ATOM 0 H PHE A 53 10.301 1.165 3.764 1.00 0.00 H new ATOM 0 HA PHE A 53 10.083 -0.441 6.207 1.00 0.00 H new ATOM 0 HB2 PHE A 53 8.541 -2.011 4.933 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.814 -0.516 5.489 1.00 0.00 H new ATOM 0 HD1 PHE A 53 9.062 -2.328 2.531 1.00 0.00 H new ATOM 0 HD2 PHE A 53 7.041 1.152 3.926 1.00 0.00 H new ATOM 0 HE1 PHE A 53 8.347 -1.825 0.235 1.00 0.00 H new ATOM 0 HE2 PHE A 53 6.325 1.659 1.632 1.00 0.00 H new ATOM 0 HZ PHE A 53 6.972 0.167 -0.218 1.00 0.00 H new ATOM 767 N SER A 54 11.104 -2.483 4.838 1.00 0.00 N ATOM 768 CA SER A 54 12.092 -3.388 4.263 1.00 0.00 C ATOM 769 C SER A 54 11.412 -4.508 3.481 1.00 0.00 C ATOM 770 O SER A 54 10.233 -4.796 3.684 1.00 0.00 O ATOM 771 CB SER A 54 12.974 -3.981 5.363 1.00 0.00 C ATOM 772 OG SER A 54 12.204 -4.741 6.279 1.00 0.00 O ATOM 0 H SER A 54 10.515 -2.904 5.556 1.00 0.00 H new ATOM 0 HA SER A 54 12.716 -2.816 3.577 1.00 0.00 H new ATOM 0 HB2 SER A 54 13.742 -4.613 4.917 1.00 0.00 H new ATOM 0 HB3 SER A 54 13.489 -3.179 5.893 1.00 0.00 H new ATOM 0 HG SER A 54 12.791 -5.111 6.971 1.00 0.00 H new ATOM 778 N LYS A 55 12.166 -5.137 2.585 1.00 0.00 N ATOM 779 CA LYS A 55 11.639 -6.227 1.772 1.00 0.00 C ATOM 780 C LYS A 55 10.973 -7.285 2.646 1.00 0.00 C ATOM 781 O LYS A 55 11.632 -7.945 3.448 1.00 0.00 O ATOM 782 CB LYS A 55 12.760 -6.863 0.947 1.00 0.00 C ATOM 783 CG LYS A 55 12.320 -8.088 0.165 1.00 0.00 C ATOM 784 CD LYS A 55 13.325 -8.451 -0.915 1.00 0.00 C ATOM 785 CE LYS A 55 12.993 -9.788 -1.559 1.00 0.00 C ATOM 786 NZ LYS A 55 14.136 -10.322 -2.350 1.00 0.00 N ATOM 0 H LYS A 55 13.144 -4.910 2.404 1.00 0.00 H new ATOM 0 HA LYS A 55 10.889 -5.814 1.097 1.00 0.00 H new ATOM 0 HB2 LYS A 55 13.154 -6.121 0.252 1.00 0.00 H new ATOM 0 HB3 LYS A 55 13.577 -7.142 1.613 1.00 0.00 H new ATOM 0 HG2 LYS A 55 12.196 -8.930 0.846 1.00 0.00 H new ATOM 0 HG3 LYS A 55 11.347 -7.900 -0.290 1.00 0.00 H new ATOM 0 HD2 LYS A 55 13.338 -7.672 -1.677 1.00 0.00 H new ATOM 0 HD3 LYS A 55 14.325 -8.492 -0.484 1.00 0.00 H new ATOM 0 HE2 LYS A 55 12.720 -10.506 -0.785 1.00 0.00 H new ATOM 0 HE3 LYS A 55 12.125 -9.673 -2.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 13.870 -11.234 -2.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 14.381 -9.649 -3.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 14.957 -10.456 -1.726 1.00 0.00 H new ATOM 800 N GLY A 56 9.663 -7.442 2.483 1.00 0.00 N ATOM 801 CA GLY A 56 8.931 -8.422 3.263 1.00 0.00 C ATOM 802 C GLY A 56 8.336 -7.832 4.526 1.00 0.00 C ATOM 803 O GLY A 56 8.118 -8.542 5.507 1.00 0.00 O ATOM 0 H GLY A 56 9.096 -6.908 1.825 1.00 0.00 H new ATOM 0 HA2 GLY A 56 8.133 -8.845 2.653 1.00 0.00 H new ATOM 0 HA3 GLY A 56 9.598 -9.242 3.528 1.00 0.00 H new ATOM 807 N GLN A 57 8.075 -6.529 4.502 1.00 0.00 N ATOM 808 CA GLN A 57 7.504 -5.843 5.656 1.00 0.00 C ATOM 809 C GLN A 57 5.997 -6.064 5.729 1.00 0.00 C ATOM 810 O GLN A 57 5.375 -6.502 4.760 1.00 0.00 O ATOM 811 CB GLN A 57 7.809 -4.346 5.588 1.00 0.00 C ATOM 812 CG GLN A 57 7.628 -3.628 6.916 1.00 0.00 C ATOM 813 CD GLN A 57 8.458 -4.238 8.027 1.00 0.00 C ATOM 814 OE1 GLN A 57 8.123 -5.297 8.559 1.00 0.00 O ATOM 815 NE2 GLN A 57 9.550 -3.572 8.385 1.00 0.00 N ATOM 0 H GLN A 57 8.250 -5.927 3.697 1.00 0.00 H new ATOM 0 HA GLN A 57 7.958 -6.258 6.556 1.00 0.00 H new ATOM 0 HB2 GLN A 57 8.835 -4.208 5.246 1.00 0.00 H new ATOM 0 HB3 GLN A 57 7.160 -3.885 4.843 1.00 0.00 H new ATOM 0 HG2 GLN A 57 7.901 -2.579 6.798 1.00 0.00 H new ATOM 0 HG3 GLN A 57 6.575 -3.654 7.198 1.00 0.00 H new ATOM 0 HE21 GLN A 57 9.790 -2.698 7.918 1.00 0.00 H new ATOM 0 HE22 GLN A 57 10.148 -3.935 9.127 1.00 0.00 H new ATOM 824 N LEU A 58 5.415 -5.760 6.884 1.00 0.00 N ATOM 825 CA LEU A 58 3.980 -5.925 7.085 1.00 0.00 C ATOM 826 C LEU A 58 3.218 -4.691 6.613 1.00 0.00 C ATOM 827 O LEU A 58 3.260 -3.641 7.254 1.00 0.00 O ATOM 828 CB LEU A 58 3.678 -6.191 8.561 1.00 0.00 C ATOM 829 CG LEU A 58 2.286 -5.786 9.045 1.00 0.00 C ATOM 830 CD1 LEU A 58 1.232 -6.730 8.489 1.00 0.00 C ATOM 831 CD2 LEU A 58 2.236 -5.763 10.566 1.00 0.00 C ATOM 0 H LEU A 58 5.915 -5.398 7.696 1.00 0.00 H new ATOM 0 HA LEU A 58 3.652 -6.780 6.494 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.812 -7.256 8.752 1.00 0.00 H new ATOM 0 HB3 LEU A 58 4.418 -5.664 9.163 1.00 0.00 H new ATOM 0 HG LEU A 58 2.073 -4.781 8.679 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.247 -6.426 8.844 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.251 -6.696 7.400 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.441 -7.746 8.824 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.238 -5.473 10.893 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.470 -6.755 10.953 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.964 -5.045 10.943 1.00 0.00 H new ATOM 843 N ILE A 59 2.521 -4.826 5.489 1.00 0.00 N ATOM 844 CA ILE A 59 1.747 -3.723 4.934 1.00 0.00 C ATOM 845 C ILE A 59 0.291 -4.125 4.722 1.00 0.00 C ATOM 846 O ILE A 59 0.004 -5.206 4.210 1.00 0.00 O ATOM 847 CB ILE A 59 2.335 -3.241 3.595 1.00 0.00 C ATOM 848 CG1 ILE A 59 3.777 -2.767 3.787 1.00 0.00 C ATOM 849 CG2 ILE A 59 1.479 -2.127 3.011 1.00 0.00 C ATOM 850 CD1 ILE A 59 4.580 -2.737 2.505 1.00 0.00 C ATOM 0 H ILE A 59 2.477 -5.688 4.946 1.00 0.00 H new ATOM 0 HA ILE A 59 1.795 -2.908 5.657 1.00 0.00 H new ATOM 0 HB ILE A 59 2.337 -4.076 2.895 1.00 0.00 H new ATOM 0 HG12 ILE A 59 3.767 -1.768 4.223 1.00 0.00 H new ATOM 0 HG13 ILE A 59 4.274 -3.423 4.502 1.00 0.00 H new ATOM 0 HG21 ILE A 59 1.908 -1.797 2.065 1.00 0.00 H new ATOM 0 HG22 ILE A 59 0.467 -2.496 2.842 1.00 0.00 H new ATOM 0 HG23 ILE A 59 1.448 -1.289 3.707 1.00 0.00 H new ATOM 0 HD11 ILE A 59 5.592 -2.391 2.717 1.00 0.00 H new ATOM 0 HD12 ILE A 59 4.621 -3.739 2.078 1.00 0.00 H new ATOM 0 HD13 ILE A 59 4.107 -2.059 1.795 1.00 0.00 H new ATOM 862 N ASN A 60 -0.623 -3.245 5.117 1.00 0.00 N ATOM 863 CA ASN A 60 -2.050 -3.507 4.969 1.00 0.00 C ATOM 864 C ASN A 60 -2.721 -2.415 4.141 1.00 0.00 C ATOM 865 O ASN A 60 -3.076 -1.357 4.661 1.00 0.00 O ATOM 866 CB ASN A 60 -2.717 -3.604 6.342 1.00 0.00 C ATOM 867 CG ASN A 60 -2.032 -4.608 7.249 1.00 0.00 C ATOM 868 OD1 ASN A 60 -0.841 -4.487 7.539 1.00 0.00 O ATOM 869 ND2 ASN A 60 -2.782 -5.606 7.700 1.00 0.00 N ATOM 0 H ASN A 60 -0.401 -2.345 5.542 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.167 -4.457 4.448 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -2.707 -2.623 6.818 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.762 -3.887 6.216 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -2.376 -6.313 8.313 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -3.765 -5.666 7.434 1.00 0.00 H new ATOM 876 N VAL A 61 -2.891 -2.680 2.849 1.00 0.00 N ATOM 877 CA VAL A 61 -3.521 -1.721 1.949 1.00 0.00 C ATOM 878 C VAL A 61 -4.916 -1.346 2.435 1.00 0.00 C ATOM 879 O VAL A 61 -5.809 -2.191 2.503 1.00 0.00 O ATOM 880 CB VAL A 61 -3.620 -2.278 0.517 1.00 0.00 C ATOM 881 CG1 VAL A 61 -4.303 -1.274 -0.400 1.00 0.00 C ATOM 882 CG2 VAL A 61 -2.240 -2.640 -0.010 1.00 0.00 C ATOM 0 H VAL A 61 -2.601 -3.550 2.403 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.891 -0.831 1.942 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.225 -3.185 0.539 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.364 -1.685 -1.408 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.308 -1.068 -0.030 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.727 -0.349 -0.420 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -2.329 -3.032 -1.023 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.609 -1.751 -0.019 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.792 -3.397 0.634 1.00 0.00 H new ATOM 892 N MET A 62 -5.098 -0.073 2.771 1.00 0.00 N ATOM 893 CA MET A 62 -6.386 0.415 3.249 1.00 0.00 C ATOM 894 C MET A 62 -7.148 1.122 2.132 1.00 0.00 C ATOM 895 O MET A 62 -8.364 0.977 2.010 1.00 0.00 O ATOM 896 CB MET A 62 -6.189 1.367 4.429 1.00 0.00 C ATOM 897 CG MET A 62 -5.458 0.737 5.603 1.00 0.00 C ATOM 898 SD MET A 62 -5.416 1.809 7.052 1.00 0.00 S ATOM 899 CE MET A 62 -4.758 0.688 8.284 1.00 0.00 C ATOM 0 H MET A 62 -4.369 0.639 2.721 1.00 0.00 H new ATOM 0 HA MET A 62 -6.972 -0.443 3.578 1.00 0.00 H new ATOM 0 HB2 MET A 62 -5.632 2.241 4.091 1.00 0.00 H new ATOM 0 HB3 MET A 62 -7.163 1.721 4.766 1.00 0.00 H new ATOM 0 HG2 MET A 62 -5.943 -0.203 5.866 1.00 0.00 H new ATOM 0 HG3 MET A 62 -4.438 0.497 5.304 1.00 0.00 H new ATOM 0 HE1 MET A 62 -5.171 0.938 9.261 1.00 0.00 H new ATOM 0 HE2 MET A 62 -5.030 -0.336 8.026 1.00 0.00 H new ATOM 0 HE3 MET A 62 -3.672 0.778 8.315 1.00 0.00 H new ATOM 909 N ASN A 63 -6.425 1.886 1.320 1.00 0.00 N ATOM 910 CA ASN A 63 -7.034 2.615 0.213 1.00 0.00 C ATOM 911 C ASN A 63 -6.204 2.467 -1.058 1.00 0.00 C ATOM 912 O ASN A 63 -5.169 3.114 -1.217 1.00 0.00 O ATOM 913 CB ASN A 63 -7.180 4.096 0.571 1.00 0.00 C ATOM 914 CG ASN A 63 -8.082 4.838 -0.396 1.00 0.00 C ATOM 915 OD1 ASN A 63 -7.912 4.751 -1.613 1.00 0.00 O ATOM 916 ND2 ASN A 63 -9.049 5.573 0.142 1.00 0.00 N ATOM 0 H ASN A 63 -5.417 2.017 1.407 1.00 0.00 H new ATOM 0 HA ASN A 63 -8.022 2.192 0.031 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -7.582 4.185 1.580 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -6.196 4.564 0.578 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -9.688 6.094 -0.459 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -9.153 5.616 1.156 1.00 0.00 H new ATOM 923 N LYS A 64 -6.666 1.610 -1.963 1.00 0.00 N ATOM 924 CA LYS A 64 -5.970 1.377 -3.222 1.00 0.00 C ATOM 925 C LYS A 64 -6.761 1.945 -4.395 1.00 0.00 C ATOM 926 O LYS A 64 -6.755 1.384 -5.491 1.00 0.00 O ATOM 927 CB LYS A 64 -5.736 -0.122 -3.429 1.00 0.00 C ATOM 928 CG LYS A 64 -7.017 -0.919 -3.602 1.00 0.00 C ATOM 929 CD LYS A 64 -6.732 -2.339 -4.061 1.00 0.00 C ATOM 930 CE LYS A 64 -6.326 -2.381 -5.526 1.00 0.00 C ATOM 931 NZ LYS A 64 -5.485 -3.570 -5.835 1.00 0.00 N ATOM 0 H LYS A 64 -7.520 1.065 -1.847 1.00 0.00 H new ATOM 0 HA LYS A 64 -5.007 1.886 -3.176 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -5.107 -0.265 -4.308 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -5.185 -0.517 -2.575 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -7.562 -0.943 -2.658 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -7.660 -0.423 -4.329 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -5.938 -2.767 -3.450 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -7.618 -2.956 -3.910 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -7.220 -2.396 -6.150 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -5.777 -1.473 -5.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -4.503 -3.268 -5.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -5.515 -4.234 -5.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -5.849 -4.040 -6.689 1.00 0.00 H new ATOM 945 N ASP A 65 -7.441 3.062 -4.159 1.00 0.00 N ATOM 946 CA ASP A 65 -8.235 3.708 -5.197 1.00 0.00 C ATOM 947 C ASP A 65 -7.400 3.945 -6.452 1.00 0.00 C ATOM 948 O ASP A 65 -7.887 3.789 -7.572 1.00 0.00 O ATOM 949 CB ASP A 65 -8.799 5.034 -4.686 1.00 0.00 C ATOM 950 CG ASP A 65 -10.158 4.873 -4.034 1.00 0.00 C ATOM 951 OD1 ASP A 65 -10.339 3.900 -3.273 1.00 0.00 O ATOM 952 OD2 ASP A 65 -11.042 5.719 -4.286 1.00 0.00 O ATOM 0 H ASP A 65 -7.458 3.539 -3.257 1.00 0.00 H new ATOM 0 HA ASP A 65 -9.062 3.045 -5.453 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -8.104 5.468 -3.967 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -8.879 5.736 -5.516 1.00 0.00 H new ATOM 957 N ASP A 66 -6.142 4.324 -6.256 1.00 0.00 N ATOM 958 CA ASP A 66 -5.239 4.583 -7.371 1.00 0.00 C ATOM 959 C ASP A 66 -4.342 3.379 -7.635 1.00 0.00 C ATOM 960 O ASP A 66 -3.601 2.922 -6.763 1.00 0.00 O ATOM 961 CB ASP A 66 -4.384 5.819 -7.087 1.00 0.00 C ATOM 962 CG ASP A 66 -5.166 7.110 -7.233 1.00 0.00 C ATOM 963 OD1 ASP A 66 -6.184 7.109 -7.957 1.00 0.00 O ATOM 964 OD2 ASP A 66 -4.761 8.121 -6.622 1.00 0.00 O ATOM 0 H ASP A 66 -5.724 4.459 -5.335 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.843 4.765 -8.260 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -3.981 5.754 -6.076 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.534 5.834 -7.769 1.00 0.00 H new ATOM 969 N PRO A 67 -4.408 2.849 -8.866 1.00 0.00 N ATOM 970 CA PRO A 67 -3.608 1.690 -9.272 1.00 0.00 C ATOM 971 C PRO A 67 -2.124 2.021 -9.388 1.00 0.00 C ATOM 972 O PRO A 67 -1.315 1.170 -9.759 1.00 0.00 O ATOM 973 CB PRO A 67 -4.183 1.326 -10.643 1.00 0.00 C ATOM 974 CG PRO A 67 -4.765 2.596 -11.160 1.00 0.00 C ATOM 975 CD PRO A 67 -5.268 3.342 -9.955 1.00 0.00 C ATOM 0 HA PRO A 67 -3.662 0.882 -8.543 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -3.408 0.946 -11.309 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -4.942 0.548 -10.560 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -4.016 3.179 -11.695 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -5.575 2.397 -11.862 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -5.176 4.421 -10.083 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -6.320 3.132 -9.763 1.00 0.00 H new ATOM 983 N ASP A 68 -1.773 3.262 -9.069 1.00 0.00 N ATOM 984 CA ASP A 68 -0.385 3.705 -9.136 1.00 0.00 C ATOM 985 C ASP A 68 0.256 3.695 -7.752 1.00 0.00 C ATOM 986 O ASP A 68 1.373 3.207 -7.578 1.00 0.00 O ATOM 987 CB ASP A 68 -0.304 5.108 -9.739 1.00 0.00 C ATOM 988 CG ASP A 68 -1.410 5.373 -10.742 1.00 0.00 C ATOM 989 OD1 ASP A 68 -1.633 4.512 -11.619 1.00 0.00 O ATOM 990 OD2 ASP A 68 -2.052 6.440 -10.650 1.00 0.00 O ATOM 0 H ASP A 68 -2.430 3.979 -8.762 1.00 0.00 H new ATOM 0 HA ASP A 68 0.162 3.011 -9.775 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -0.358 5.847 -8.940 1.00 0.00 H new ATOM 0 HB3 ASP A 68 0.663 5.235 -10.227 1.00 0.00 H new ATOM 995 N TRP A 69 -0.457 4.237 -6.772 1.00 0.00 N ATOM 996 CA TRP A 69 0.043 4.290 -5.403 1.00 0.00 C ATOM 997 C TRP A 69 -1.000 3.768 -4.421 1.00 0.00 C ATOM 998 O TRP A 69 -2.198 3.987 -4.599 1.00 0.00 O ATOM 999 CB TRP A 69 0.433 5.723 -5.036 1.00 0.00 C ATOM 1000 CG TRP A 69 1.819 6.092 -5.472 1.00 0.00 C ATOM 1001 CD1 TRP A 69 2.263 6.238 -6.755 1.00 0.00 C ATOM 1002 CD2 TRP A 69 2.941 6.358 -4.624 1.00 0.00 C ATOM 1003 NE1 TRP A 69 3.594 6.579 -6.756 1.00 0.00 N ATOM 1004 CE2 TRP A 69 4.033 6.660 -5.461 1.00 0.00 C ATOM 1005 CE3 TRP A 69 3.130 6.373 -3.240 1.00 0.00 C ATOM 1006 CZ2 TRP A 69 5.293 6.972 -4.957 1.00 0.00 C ATOM 1007 CZ3 TRP A 69 4.381 6.682 -2.741 1.00 0.00 C ATOM 1008 CH2 TRP A 69 5.449 6.979 -3.598 1.00 0.00 C ATOM 0 H TRP A 69 -1.383 4.646 -6.899 1.00 0.00 H new ATOM 0 HA TRP A 69 0.925 3.653 -5.340 1.00 0.00 H new ATOM 0 HB2 TRP A 69 -0.279 6.413 -5.490 1.00 0.00 H new ATOM 0 HB3 TRP A 69 0.354 5.848 -3.956 1.00 0.00 H new ATOM 0 HD1 TRP A 69 1.657 6.105 -7.639 1.00 0.00 H new ATOM 0 HE1 TRP A 69 4.163 6.745 -7.586 1.00 0.00 H new ATOM 0 HE3 TRP A 69 2.312 6.147 -2.571 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 6.118 7.200 -5.616 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 4.538 6.695 -1.673 1.00 0.00 H new ATOM 0 HH2 TRP A 69 6.414 7.218 -3.177 1.00 0.00 H new ATOM 1019 N TRP A 70 -0.537 3.076 -3.386 1.00 0.00 N ATOM 1020 CA TRP A 70 -1.432 2.522 -2.376 1.00 0.00 C ATOM 1021 C TRP A 70 -1.024 2.978 -0.979 1.00 0.00 C ATOM 1022 O TRP A 70 0.097 3.442 -0.771 1.00 0.00 O ATOM 1023 CB TRP A 70 -1.431 0.994 -2.447 1.00 0.00 C ATOM 1024 CG TRP A 70 -2.073 0.458 -3.691 1.00 0.00 C ATOM 1025 CD1 TRP A 70 -2.960 1.107 -4.501 1.00 0.00 C ATOM 1026 CD2 TRP A 70 -1.878 -0.840 -4.264 1.00 0.00 C ATOM 1027 NE1 TRP A 70 -3.329 0.291 -5.543 1.00 0.00 N ATOM 1028 CE2 TRP A 70 -2.678 -0.908 -5.422 1.00 0.00 C ATOM 1029 CE3 TRP A 70 -1.104 -1.949 -3.914 1.00 0.00 C ATOM 1030 CZ2 TRP A 70 -2.725 -2.042 -6.228 1.00 0.00 C ATOM 1031 CZ3 TRP A 70 -1.152 -3.074 -4.715 1.00 0.00 C ATOM 1032 CH2 TRP A 70 -1.958 -3.114 -5.861 1.00 0.00 C ATOM 0 H TRP A 70 0.452 2.885 -3.224 1.00 0.00 H new ATOM 0 HA TRP A 70 -2.439 2.888 -2.578 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -0.403 0.635 -2.393 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -1.953 0.596 -1.577 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -3.319 2.114 -4.346 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -3.982 0.538 -6.286 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -0.479 -1.928 -3.033 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -3.345 -2.074 -7.112 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -0.558 -3.937 -4.453 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -1.974 -4.008 -6.466 1.00 0.00 H new ATOM 1043 N GLN A 71 -1.941 2.843 -0.026 1.00 0.00 N ATOM 1044 CA GLN A 71 -1.675 3.242 1.351 1.00 0.00 C ATOM 1045 C GLN A 71 -1.776 2.048 2.293 1.00 0.00 C ATOM 1046 O GLN A 71 -2.775 1.329 2.296 1.00 0.00 O ATOM 1047 CB GLN A 71 -2.655 4.334 1.785 1.00 0.00 C ATOM 1048 CG GLN A 71 -2.413 4.841 3.198 1.00 0.00 C ATOM 1049 CD GLN A 71 -3.010 6.214 3.436 1.00 0.00 C ATOM 1050 OE1 GLN A 71 -3.486 6.866 2.506 1.00 0.00 O ATOM 1051 NE2 GLN A 71 -2.988 6.661 4.686 1.00 0.00 N ATOM 0 H GLN A 71 -2.874 2.461 -0.182 1.00 0.00 H new ATOM 0 HA GLN A 71 -0.659 3.634 1.400 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -2.585 5.171 1.090 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -3.672 3.947 1.716 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -2.839 4.135 3.911 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -1.340 4.878 3.388 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -2.584 6.087 5.426 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -3.376 7.578 4.906 1.00 0.00 H new ATOM 1060 N GLY A 72 -0.734 1.841 3.093 1.00 0.00 N ATOM 1061 CA GLY A 72 -0.726 0.732 4.028 1.00 0.00 C ATOM 1062 C GLY A 72 -0.156 1.117 5.379 1.00 0.00 C ATOM 1063 O GLY A 72 0.285 2.249 5.573 1.00 0.00 O ATOM 0 H GLY A 72 0.104 2.422 3.110 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -1.743 0.363 4.158 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -0.141 -0.087 3.610 1.00 0.00 H new ATOM 1067 N GLU A 73 -0.168 0.173 6.316 1.00 0.00 N ATOM 1068 CA GLU A 73 0.350 0.422 7.656 1.00 0.00 C ATOM 1069 C GLU A 73 1.449 -0.576 8.009 1.00 0.00 C ATOM 1070 O GLU A 73 1.517 -1.667 7.442 1.00 0.00 O ATOM 1071 CB GLU A 73 -0.779 0.339 8.686 1.00 0.00 C ATOM 1072 CG GLU A 73 -1.298 -1.072 8.907 1.00 0.00 C ATOM 1073 CD GLU A 73 -1.821 -1.287 10.315 1.00 0.00 C ATOM 1074 OE1 GLU A 73 -2.274 -0.303 10.937 1.00 0.00 O ATOM 1075 OE2 GLU A 73 -1.777 -2.439 10.793 1.00 0.00 O ATOM 0 H GLU A 73 -0.530 -0.769 6.172 1.00 0.00 H new ATOM 0 HA GLU A 73 0.775 1.425 7.673 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -0.424 0.739 9.635 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -1.603 0.974 8.361 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -2.094 -1.278 8.192 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -0.498 -1.785 8.708 1.00 0.00 H new ATOM 1082 N ILE A 74 2.308 -0.193 8.947 1.00 0.00 N ATOM 1083 CA ILE A 74 3.404 -1.054 9.376 1.00 0.00 C ATOM 1084 C ILE A 74 3.772 -0.791 10.832 1.00 0.00 C ATOM 1085 O ILE A 74 4.402 0.216 11.152 1.00 0.00 O ATOM 1086 CB ILE A 74 4.654 -0.853 8.499 1.00 0.00 C ATOM 1087 CG1 ILE A 74 4.252 -0.684 7.032 1.00 0.00 C ATOM 1088 CG2 ILE A 74 5.608 -2.027 8.660 1.00 0.00 C ATOM 1089 CD1 ILE A 74 5.400 -0.281 6.133 1.00 0.00 C ATOM 0 H ILE A 74 2.267 0.707 9.425 1.00 0.00 H new ATOM 0 HA ILE A 74 3.057 -2.082 9.271 1.00 0.00 H new ATOM 0 HB ILE A 74 5.166 0.053 8.823 1.00 0.00 H new ATOM 0 HG12 ILE A 74 3.829 -1.621 6.669 1.00 0.00 H new ATOM 0 HG13 ILE A 74 3.466 0.068 6.963 1.00 0.00 H new ATOM 0 HG21 ILE A 74 6.487 -1.870 8.034 1.00 0.00 H new ATOM 0 HG22 ILE A 74 5.915 -2.106 9.703 1.00 0.00 H new ATOM 0 HG23 ILE A 74 5.107 -2.947 8.359 1.00 0.00 H new ATOM 0 HD11 ILE A 74 5.042 -0.180 5.109 1.00 0.00 H new ATOM 0 HD12 ILE A 74 5.809 0.671 6.470 1.00 0.00 H new ATOM 0 HD13 ILE A 74 6.178 -1.044 6.172 1.00 0.00 H new ATOM 1101 N ASN A 75 3.374 -1.705 11.712 1.00 0.00 N ATOM 1102 CA ASN A 75 3.663 -1.574 13.135 1.00 0.00 C ATOM 1103 C ASN A 75 3.062 -0.288 13.695 1.00 0.00 C ATOM 1104 O ASN A 75 3.734 0.473 14.390 1.00 0.00 O ATOM 1105 CB ASN A 75 5.175 -1.589 13.373 1.00 0.00 C ATOM 1106 CG ASN A 75 5.714 -2.992 13.575 1.00 0.00 C ATOM 1107 OD1 ASN A 75 5.225 -3.741 14.421 1.00 0.00 O ATOM 1108 ND2 ASN A 75 6.728 -3.353 12.797 1.00 0.00 N ATOM 0 H ASN A 75 2.850 -2.544 11.464 1.00 0.00 H new ATOM 0 HA ASN A 75 3.212 -2.421 13.652 1.00 0.00 H new ATOM 0 HB2 ASN A 75 5.678 -1.128 12.523 1.00 0.00 H new ATOM 0 HB3 ASN A 75 5.408 -0.983 14.249 1.00 0.00 H new ATOM 0 HD21 ASN A 75 7.134 -4.285 12.887 1.00 0.00 H new ATOM 0 HD22 ASN A 75 7.101 -2.699 12.109 1.00 0.00 H new ATOM 1115 N GLY A 76 1.789 -0.054 13.389 1.00 0.00 N ATOM 1116 CA GLY A 76 1.118 1.139 13.870 1.00 0.00 C ATOM 1117 C GLY A 76 1.550 2.388 13.126 1.00 0.00 C ATOM 1118 O GLY A 76 1.183 3.501 13.502 1.00 0.00 O ATOM 0 H GLY A 76 1.211 -0.670 12.817 1.00 0.00 H new ATOM 0 HA2 GLY A 76 0.040 1.013 13.766 1.00 0.00 H new ATOM 0 HA3 GLY A 76 1.323 1.264 14.933 1.00 0.00 H new ATOM 1122 N VAL A 77 2.334 2.203 12.069 1.00 0.00 N ATOM 1123 CA VAL A 77 2.817 3.323 11.270 1.00 0.00 C ATOM 1124 C VAL A 77 2.080 3.407 9.939 1.00 0.00 C ATOM 1125 O VAL A 77 1.647 2.393 9.390 1.00 0.00 O ATOM 1126 CB VAL A 77 4.330 3.209 11.001 1.00 0.00 C ATOM 1127 CG1 VAL A 77 4.587 2.428 9.722 1.00 0.00 C ATOM 1128 CG2 VAL A 77 4.963 4.591 10.929 1.00 0.00 C ATOM 0 H VAL A 77 2.648 1.288 11.746 1.00 0.00 H new ATOM 0 HA VAL A 77 2.625 4.229 11.845 1.00 0.00 H new ATOM 0 HB VAL A 77 4.789 2.667 11.827 1.00 0.00 H new ATOM 0 HG11 VAL A 77 5.661 2.358 9.548 1.00 0.00 H new ATOM 0 HG12 VAL A 77 4.168 1.426 9.817 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.116 2.940 8.882 1.00 0.00 H new ATOM 0 HG21 VAL A 77 6.032 4.492 10.739 1.00 0.00 H new ATOM 0 HG22 VAL A 77 4.502 5.161 10.122 1.00 0.00 H new ATOM 0 HG23 VAL A 77 4.810 5.111 11.875 1.00 0.00 H new ATOM 1138 N THR A 78 1.940 4.624 9.422 1.00 0.00 N ATOM 1139 CA THR A 78 1.255 4.842 8.154 1.00 0.00 C ATOM 1140 C THR A 78 2.070 5.747 7.237 1.00 0.00 C ATOM 1141 O THR A 78 2.821 6.603 7.701 1.00 0.00 O ATOM 1142 CB THR A 78 -0.137 5.466 8.368 1.00 0.00 C ATOM 1143 OG1 THR A 78 -0.032 6.621 9.209 1.00 0.00 O ATOM 1144 CG2 THR A 78 -1.090 4.461 8.995 1.00 0.00 C ATOM 0 H THR A 78 2.292 5.474 9.862 1.00 0.00 H new ATOM 0 HA THR A 78 1.139 3.865 7.685 1.00 0.00 H new ATOM 0 HB THR A 78 -0.533 5.760 7.396 1.00 0.00 H new ATOM 0 HG1 THR A 78 -0.921 7.013 9.339 1.00 0.00 H new ATOM 0 HG21 THR A 78 -2.066 4.925 9.136 1.00 0.00 H new ATOM 0 HG22 THR A 78 -1.190 3.596 8.339 1.00 0.00 H new ATOM 0 HG23 THR A 78 -0.697 4.140 9.960 1.00 0.00 H new ATOM 1152 N GLY A 79 1.915 5.552 5.931 1.00 0.00 N ATOM 1153 CA GLY A 79 2.643 6.359 4.969 1.00 0.00 C ATOM 1154 C GLY A 79 2.117 6.193 3.557 1.00 0.00 C ATOM 1155 O GLY A 79 0.981 5.760 3.356 1.00 0.00 O ATOM 0 H GLY A 79 1.298 4.850 5.522 1.00 0.00 H new ATOM 0 HA2 GLY A 79 2.578 7.408 5.257 1.00 0.00 H new ATOM 0 HA3 GLY A 79 3.698 6.086 4.995 1.00 0.00 H new ATOM 1159 N LEU A 80 2.943 6.538 2.575 1.00 0.00 N ATOM 1160 CA LEU A 80 2.555 6.427 1.174 1.00 0.00 C ATOM 1161 C LEU A 80 3.609 5.666 0.375 1.00 0.00 C ATOM 1162 O LEU A 80 4.807 5.917 0.513 1.00 0.00 O ATOM 1163 CB LEU A 80 2.345 7.816 0.570 1.00 0.00 C ATOM 1164 CG LEU A 80 1.065 8.542 0.984 1.00 0.00 C ATOM 1165 CD1 LEU A 80 1.065 9.968 0.457 1.00 0.00 C ATOM 1166 CD2 LEU A 80 -0.160 7.788 0.486 1.00 0.00 C ATOM 0 H LEU A 80 3.886 6.897 2.724 1.00 0.00 H new ATOM 0 HA LEU A 80 1.618 5.872 1.126 1.00 0.00 H new ATOM 0 HB2 LEU A 80 3.197 8.440 0.841 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.351 7.723 -0.516 1.00 0.00 H new ATOM 0 HG LEU A 80 1.027 8.579 2.073 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.146 10.469 0.762 1.00 0.00 H new ATOM 0 HD12 LEU A 80 1.922 10.506 0.862 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.127 9.954 -0.631 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -1.062 8.319 0.790 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.128 7.719 -0.601 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -0.168 6.785 0.913 1.00 0.00 H new ATOM 1178 N PHE A 81 3.155 4.738 -0.460 1.00 0.00 N ATOM 1179 CA PHE A 81 4.059 3.942 -1.282 1.00 0.00 C ATOM 1180 C PHE A 81 3.371 3.490 -2.567 1.00 0.00 C ATOM 1181 O PHE A 81 2.147 3.377 -2.639 1.00 0.00 O ATOM 1182 CB PHE A 81 4.554 2.723 -0.500 1.00 0.00 C ATOM 1183 CG PHE A 81 3.448 1.926 0.129 1.00 0.00 C ATOM 1184 CD1 PHE A 81 2.485 1.313 -0.656 1.00 0.00 C ATOM 1185 CD2 PHE A 81 3.372 1.788 1.506 1.00 0.00 C ATOM 1186 CE1 PHE A 81 1.466 0.578 -0.080 1.00 0.00 C ATOM 1187 CE2 PHE A 81 2.356 1.054 2.087 1.00 0.00 C ATOM 1188 CZ PHE A 81 1.401 0.449 1.294 1.00 0.00 C ATOM 0 H PHE A 81 2.167 4.518 -0.586 1.00 0.00 H new ATOM 0 HA PHE A 81 4.912 4.566 -1.548 1.00 0.00 H new ATOM 0 HB2 PHE A 81 5.121 2.077 -1.170 1.00 0.00 H new ATOM 0 HB3 PHE A 81 5.240 3.055 0.279 1.00 0.00 H new ATOM 0 HD1 PHE A 81 2.531 1.411 -1.731 1.00 0.00 H new ATOM 0 HD2 PHE A 81 4.115 2.260 2.132 1.00 0.00 H new ATOM 0 HE1 PHE A 81 0.721 0.105 -0.703 1.00 0.00 H new ATOM 0 HE2 PHE A 81 2.309 0.953 3.161 1.00 0.00 H new ATOM 0 HZ PHE A 81 0.605 -0.124 1.747 1.00 0.00 H new ATOM 1198 N PRO A 82 4.175 3.226 -3.607 1.00 0.00 N ATOM 1199 CA PRO A 82 3.667 2.783 -4.909 1.00 0.00 C ATOM 1200 C PRO A 82 3.103 1.367 -4.859 1.00 0.00 C ATOM 1201 O PRO A 82 3.611 0.512 -4.134 1.00 0.00 O ATOM 1202 CB PRO A 82 4.903 2.836 -5.810 1.00 0.00 C ATOM 1203 CG PRO A 82 6.056 2.679 -4.879 1.00 0.00 C ATOM 1204 CD PRO A 82 5.643 3.340 -3.593 1.00 0.00 C ATOM 0 HA PRO A 82 2.843 3.405 -5.258 1.00 0.00 H new ATOM 0 HB2 PRO A 82 4.884 2.041 -6.555 1.00 0.00 H new ATOM 0 HB3 PRO A 82 4.958 3.780 -6.352 1.00 0.00 H new ATOM 0 HG2 PRO A 82 6.288 1.626 -4.719 1.00 0.00 H new ATOM 0 HG3 PRO A 82 6.953 3.145 -5.287 1.00 0.00 H new ATOM 0 HD2 PRO A 82 6.077 2.840 -2.727 1.00 0.00 H new ATOM 0 HD3 PRO A 82 5.965 4.381 -3.555 1.00 0.00 H new ATOM 1212 N SER A 83 2.052 1.126 -5.636 1.00 0.00 N ATOM 1213 CA SER A 83 1.418 -0.187 -5.678 1.00 0.00 C ATOM 1214 C SER A 83 2.258 -1.170 -6.486 1.00 0.00 C ATOM 1215 O SER A 83 1.843 -2.303 -6.731 1.00 0.00 O ATOM 1216 CB SER A 83 0.016 -0.080 -6.281 1.00 0.00 C ATOM 1217 OG SER A 83 0.068 0.411 -7.609 1.00 0.00 O ATOM 0 H SER A 83 1.622 1.822 -6.245 1.00 0.00 H new ATOM 0 HA SER A 83 1.339 -0.558 -4.656 1.00 0.00 H new ATOM 0 HB2 SER A 83 -0.463 -1.059 -6.270 1.00 0.00 H new ATOM 0 HB3 SER A 83 -0.597 0.582 -5.669 1.00 0.00 H new ATOM 0 HG SER A 83 -0.801 0.276 -8.042 1.00 0.00 H new ATOM 1223 N ASN A 84 3.442 -0.729 -6.898 1.00 0.00 N ATOM 1224 CA ASN A 84 4.341 -1.569 -7.680 1.00 0.00 C ATOM 1225 C ASN A 84 5.447 -2.146 -6.802 1.00 0.00 C ATOM 1226 O ASN A 84 6.177 -3.047 -7.216 1.00 0.00 O ATOM 1227 CB ASN A 84 4.954 -0.766 -8.829 1.00 0.00 C ATOM 1228 CG ASN A 84 3.927 -0.379 -9.876 1.00 0.00 C ATOM 1229 OD1 ASN A 84 3.241 -1.235 -10.435 1.00 0.00 O ATOM 1230 ND2 ASN A 84 3.817 0.917 -10.146 1.00 0.00 N ATOM 0 H ASN A 84 3.801 0.206 -6.703 1.00 0.00 H new ATOM 0 HA ASN A 84 3.760 -2.394 -8.092 1.00 0.00 H new ATOM 0 HB2 ASN A 84 5.420 0.135 -8.431 1.00 0.00 H new ATOM 0 HB3 ASN A 84 5.744 -1.353 -9.298 1.00 0.00 H new ATOM 0 HD21 ASN A 84 3.143 1.238 -10.841 1.00 0.00 H new ATOM 0 HD22 ASN A 84 4.406 1.591 -9.658 1.00 0.00 H new ATOM 1237 N TYR A 85 5.565 -1.621 -5.587 1.00 0.00 N ATOM 1238 CA TYR A 85 6.583 -2.082 -4.651 1.00 0.00 C ATOM 1239 C TYR A 85 6.000 -3.092 -3.667 1.00 0.00 C ATOM 1240 O TYR A 85 6.541 -3.302 -2.581 1.00 0.00 O ATOM 1241 CB TYR A 85 7.180 -0.898 -3.889 1.00 0.00 C ATOM 1242 CG TYR A 85 8.394 -0.296 -4.560 1.00 0.00 C ATOM 1243 CD1 TYR A 85 8.272 0.436 -5.735 1.00 0.00 C ATOM 1244 CD2 TYR A 85 9.663 -0.458 -4.019 1.00 0.00 C ATOM 1245 CE1 TYR A 85 9.378 0.986 -6.352 1.00 0.00 C ATOM 1246 CE2 TYR A 85 10.775 0.090 -4.628 1.00 0.00 C ATOM 1247 CZ TYR A 85 10.628 0.811 -5.794 1.00 0.00 C ATOM 1248 OH TYR A 85 11.732 1.359 -6.405 1.00 0.00 O ATOM 0 H TYR A 85 4.968 -0.876 -5.228 1.00 0.00 H new ATOM 0 HA TYR A 85 7.371 -2.571 -5.223 1.00 0.00 H new ATOM 0 HB2 TYR A 85 6.418 -0.127 -3.777 1.00 0.00 H new ATOM 0 HB3 TYR A 85 7.454 -1.224 -2.885 1.00 0.00 H new ATOM 0 HD1 TYR A 85 7.295 0.577 -6.173 1.00 0.00 H new ATOM 0 HD2 TYR A 85 9.782 -1.022 -3.106 1.00 0.00 H new ATOM 0 HE1 TYR A 85 9.266 1.550 -7.266 1.00 0.00 H new ATOM 0 HE2 TYR A 85 11.754 -0.046 -4.193 1.00 0.00 H new ATOM 0 HH TYR A 85 12.534 1.145 -5.884 1.00 0.00 H new ATOM 1258 N VAL A 86 4.893 -3.716 -4.056 1.00 0.00 N ATOM 1259 CA VAL A 86 4.236 -4.706 -3.210 1.00 0.00 C ATOM 1260 C VAL A 86 3.496 -5.742 -4.050 1.00 0.00 C ATOM 1261 O VAL A 86 3.022 -5.445 -5.146 1.00 0.00 O ATOM 1262 CB VAL A 86 3.241 -4.043 -2.239 1.00 0.00 C ATOM 1263 CG1 VAL A 86 3.962 -3.074 -1.315 1.00 0.00 C ATOM 1264 CG2 VAL A 86 2.136 -3.337 -3.009 1.00 0.00 C ATOM 0 H VAL A 86 4.432 -3.554 -4.951 1.00 0.00 H new ATOM 0 HA VAL A 86 5.019 -5.200 -2.635 1.00 0.00 H new ATOM 0 HB VAL A 86 2.785 -4.820 -1.626 1.00 0.00 H new ATOM 0 HG11 VAL A 86 3.243 -2.615 -0.636 1.00 0.00 H new ATOM 0 HG12 VAL A 86 4.713 -3.613 -0.738 1.00 0.00 H new ATOM 0 HG13 VAL A 86 4.447 -2.299 -1.908 1.00 0.00 H new ATOM 0 HG21 VAL A 86 1.442 -2.874 -2.307 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.571 -2.569 -3.648 1.00 0.00 H new ATOM 0 HG23 VAL A 86 1.601 -4.061 -3.624 1.00 0.00 H new ATOM 1274 N LYS A 87 3.401 -6.960 -3.527 1.00 0.00 N ATOM 1275 CA LYS A 87 2.717 -8.041 -4.226 1.00 0.00 C ATOM 1276 C LYS A 87 1.620 -8.644 -3.355 1.00 0.00 C ATOM 1277 O LYS A 87 1.790 -8.802 -2.147 1.00 0.00 O ATOM 1278 CB LYS A 87 3.717 -9.127 -4.630 1.00 0.00 C ATOM 1279 CG LYS A 87 3.069 -10.342 -5.273 1.00 0.00 C ATOM 1280 CD LYS A 87 4.057 -11.487 -5.422 1.00 0.00 C ATOM 1281 CE LYS A 87 4.318 -12.174 -4.090 1.00 0.00 C ATOM 1282 NZ LYS A 87 3.099 -12.851 -3.567 1.00 0.00 N ATOM 0 H LYS A 87 3.789 -7.223 -2.621 1.00 0.00 H new ATOM 0 HA LYS A 87 2.257 -7.627 -5.123 1.00 0.00 H new ATOM 0 HB2 LYS A 87 4.441 -8.702 -5.325 1.00 0.00 H new ATOM 0 HB3 LYS A 87 4.271 -9.446 -3.747 1.00 0.00 H new ATOM 0 HG2 LYS A 87 2.222 -10.667 -4.668 1.00 0.00 H new ATOM 0 HG3 LYS A 87 2.675 -10.070 -6.252 1.00 0.00 H new ATOM 0 HD2 LYS A 87 3.670 -12.213 -6.137 1.00 0.00 H new ATOM 0 HD3 LYS A 87 4.995 -11.109 -5.828 1.00 0.00 H new ATOM 0 HE2 LYS A 87 5.117 -12.906 -4.209 1.00 0.00 H new ATOM 0 HE3 LYS A 87 4.665 -11.439 -3.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 3.364 -13.497 -2.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 2.433 -12.138 -3.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 2.647 -13.392 -4.332 1.00 0.00 H new ATOM 1296 N MET A 88 0.495 -8.981 -3.977 1.00 0.00 N ATOM 1297 CA MET A 88 -0.629 -9.569 -3.258 1.00 0.00 C ATOM 1298 C MET A 88 -0.204 -10.843 -2.534 1.00 0.00 C ATOM 1299 O MET A 88 0.246 -11.804 -3.159 1.00 0.00 O ATOM 1300 CB MET A 88 -1.776 -9.876 -4.223 1.00 0.00 C ATOM 1301 CG MET A 88 -2.631 -8.664 -4.556 1.00 0.00 C ATOM 1302 SD MET A 88 -4.014 -8.457 -3.418 1.00 0.00 S ATOM 1303 CE MET A 88 -4.474 -6.758 -3.749 1.00 0.00 C ATOM 0 H MET A 88 0.338 -8.857 -4.977 1.00 0.00 H new ATOM 0 HA MET A 88 -0.971 -8.847 -2.517 1.00 0.00 H new ATOM 0 HB2 MET A 88 -1.364 -10.284 -5.146 1.00 0.00 H new ATOM 0 HB3 MET A 88 -2.409 -10.649 -3.787 1.00 0.00 H new ATOM 0 HG2 MET A 88 -2.010 -7.769 -4.534 1.00 0.00 H new ATOM 0 HG3 MET A 88 -3.013 -8.762 -5.572 1.00 0.00 H new ATOM 0 HE1 MET A 88 -5.319 -6.481 -3.119 1.00 0.00 H new ATOM 0 HE2 MET A 88 -3.630 -6.104 -3.532 1.00 0.00 H new ATOM 0 HE3 MET A 88 -4.753 -6.654 -4.797 1.00 0.00 H new ATOM 1313 N THR A 89 -0.350 -10.844 -1.213 1.00 0.00 N ATOM 1314 CA THR A 89 0.020 -11.998 -0.404 1.00 0.00 C ATOM 1315 C THR A 89 -0.937 -13.162 -0.636 1.00 0.00 C ATOM 1316 O THR A 89 -0.514 -14.313 -0.758 1.00 0.00 O ATOM 1317 CB THR A 89 0.034 -11.652 1.097 1.00 0.00 C ATOM 1318 OG1 THR A 89 -1.260 -11.195 1.506 1.00 0.00 O ATOM 1319 CG2 THR A 89 1.073 -10.582 1.396 1.00 0.00 C ATOM 0 H THR A 89 -0.722 -10.058 -0.680 1.00 0.00 H new ATOM 0 HA THR A 89 1.024 -12.289 -0.711 1.00 0.00 H new ATOM 0 HB THR A 89 0.293 -12.553 1.653 1.00 0.00 H new ATOM 0 HG1 THR A 89 -1.376 -10.259 1.239 1.00 0.00 H new ATOM 0 HG21 THR A 89 1.064 -10.354 2.462 1.00 0.00 H new ATOM 0 HG22 THR A 89 2.061 -10.944 1.110 1.00 0.00 H new ATOM 0 HG23 THR A 89 0.840 -9.680 0.830 1.00 0.00 H new ATOM 1327 N THR A 90 -2.229 -12.856 -0.698 1.00 0.00 N ATOM 1328 CA THR A 90 -3.246 -13.877 -0.916 1.00 0.00 C ATOM 1329 C THR A 90 -3.334 -14.828 0.272 1.00 0.00 C ATOM 1330 O THR A 90 -3.493 -16.037 0.101 1.00 0.00 O ATOM 1331 CB THR A 90 -2.960 -14.692 -2.191 1.00 0.00 C ATOM 1332 OG1 THR A 90 -2.699 -13.810 -3.288 1.00 0.00 O ATOM 1333 CG2 THR A 90 -4.135 -15.597 -2.530 1.00 0.00 C ATOM 0 H THR A 90 -2.596 -11.909 -0.600 1.00 0.00 H new ATOM 0 HA THR A 90 -4.196 -13.356 -1.032 1.00 0.00 H new ATOM 0 HB THR A 90 -2.084 -15.314 -2.009 1.00 0.00 H new ATOM 0 HG1 THR A 90 -2.516 -14.336 -4.094 1.00 0.00 H new ATOM 0 HG21 THR A 90 -3.910 -16.163 -3.434 1.00 0.00 H new ATOM 0 HG22 THR A 90 -4.313 -16.287 -1.705 1.00 0.00 H new ATOM 0 HG23 THR A 90 -5.026 -14.991 -2.694 1.00 0.00 H new ATOM 1341 N ASP A 91 -3.230 -14.275 1.476 1.00 0.00 N ATOM 1342 CA ASP A 91 -3.300 -15.074 2.693 1.00 0.00 C ATOM 1343 C ASP A 91 -4.722 -15.099 3.246 1.00 0.00 C ATOM 1344 O ASP A 91 -5.338 -14.053 3.447 1.00 0.00 O ATOM 1345 CB ASP A 91 -2.339 -14.522 3.747 1.00 0.00 C ATOM 1346 CG ASP A 91 -1.830 -15.598 4.687 1.00 0.00 C ATOM 1347 OD1 ASP A 91 -2.545 -15.923 5.658 1.00 0.00 O ATOM 1348 OD2 ASP A 91 -0.717 -16.114 4.452 1.00 0.00 O ATOM 0 H ASP A 91 -3.097 -13.276 1.635 1.00 0.00 H new ATOM 0 HA ASP A 91 -3.008 -16.095 2.445 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -1.493 -14.048 3.250 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -2.844 -13.748 4.325 1.00 0.00 H new ATOM 1353 N SER A 92 -5.235 -16.300 3.490 1.00 0.00 N ATOM 1354 CA SER A 92 -6.586 -16.462 4.016 1.00 0.00 C ATOM 1355 C SER A 92 -6.650 -16.052 5.484 1.00 0.00 C ATOM 1356 O SER A 92 -6.017 -16.669 6.340 1.00 0.00 O ATOM 1357 CB SER A 92 -7.047 -17.912 3.858 1.00 0.00 C ATOM 1358 OG SER A 92 -8.392 -18.068 4.278 1.00 0.00 O ATOM 0 H SER A 92 -4.736 -17.176 3.332 1.00 0.00 H new ATOM 0 HA SER A 92 -7.252 -15.813 3.447 1.00 0.00 H new ATOM 0 HB2 SER A 92 -6.951 -18.216 2.816 1.00 0.00 H new ATOM 0 HB3 SER A 92 -6.402 -18.568 4.442 1.00 0.00 H new ATOM 0 HG SER A 92 -8.663 -19.003 4.166 1.00 0.00 H new ATOM 1364 N SER A 93 -7.420 -15.006 5.767 1.00 0.00 N ATOM 1365 CA SER A 93 -7.565 -14.510 7.130 1.00 0.00 C ATOM 1366 C SER A 93 -9.007 -14.648 7.608 1.00 0.00 C ATOM 1367 O SER A 93 -9.881 -13.879 7.211 1.00 0.00 O ATOM 1368 CB SER A 93 -7.127 -13.047 7.213 1.00 0.00 C ATOM 1369 OG SER A 93 -5.727 -12.922 7.027 1.00 0.00 O ATOM 0 H SER A 93 -7.953 -14.486 5.070 1.00 0.00 H new ATOM 0 HA SER A 93 -6.926 -15.110 7.778 1.00 0.00 H new ATOM 0 HB2 SER A 93 -7.651 -12.464 6.456 1.00 0.00 H new ATOM 0 HB3 SER A 93 -7.406 -12.635 8.183 1.00 0.00 H new ATOM 0 HG SER A 93 -5.473 -11.977 7.083 1.00 0.00 H new ATOM 1375 N GLY A 94 -9.248 -15.636 8.465 1.00 0.00 N ATOM 1376 CA GLY A 94 -10.585 -15.859 8.983 1.00 0.00 C ATOM 1377 C GLY A 94 -10.585 -16.199 10.460 1.00 0.00 C ATOM 1378 O GLY A 94 -9.737 -15.740 11.225 1.00 0.00 O ATOM 0 H GLY A 94 -8.541 -16.286 8.810 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -11.189 -14.966 8.819 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -11.056 -16.669 8.427 1.00 0.00 H new ATOM 1382 N PRO A 95 -11.556 -17.023 10.882 1.00 0.00 N ATOM 1383 CA PRO A 95 -11.687 -17.442 12.281 1.00 0.00 C ATOM 1384 C PRO A 95 -10.567 -18.383 12.711 1.00 0.00 C ATOM 1385 O PRO A 95 -10.175 -19.279 11.963 1.00 0.00 O ATOM 1386 CB PRO A 95 -13.035 -18.167 12.309 1.00 0.00 C ATOM 1387 CG PRO A 95 -13.239 -18.642 10.912 1.00 0.00 C ATOM 1388 CD PRO A 95 -12.601 -17.609 10.026 1.00 0.00 C ATOM 0 HA PRO A 95 -11.628 -16.597 12.967 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -13.022 -19.000 13.012 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -13.838 -17.499 12.621 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -12.782 -19.620 10.762 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -14.300 -18.747 10.687 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -12.179 -18.057 9.126 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -13.321 -16.859 9.701 1.00 0.00 H new ATOM 1396 N SER A 96 -10.057 -18.175 13.921 1.00 0.00 N ATOM 1397 CA SER A 96 -8.979 -19.003 14.449 1.00 0.00 C ATOM 1398 C SER A 96 -9.465 -19.839 15.629 1.00 0.00 C ATOM 1399 O SER A 96 -9.606 -19.336 16.744 1.00 0.00 O ATOM 1400 CB SER A 96 -7.800 -18.129 14.880 1.00 0.00 C ATOM 1401 OG SER A 96 -6.730 -18.920 15.368 1.00 0.00 O ATOM 0 H SER A 96 -10.373 -17.440 14.554 1.00 0.00 H new ATOM 0 HA SER A 96 -8.651 -19.678 13.658 1.00 0.00 H new ATOM 0 HB2 SER A 96 -7.458 -17.531 14.035 1.00 0.00 H new ATOM 0 HB3 SER A 96 -8.123 -17.432 15.653 1.00 0.00 H new ATOM 0 HG SER A 96 -5.988 -18.338 15.635 1.00 0.00 H new ATOM 1407 N SER A 97 -9.721 -21.118 15.375 1.00 0.00 N ATOM 1408 CA SER A 97 -10.195 -22.024 16.414 1.00 0.00 C ATOM 1409 C SER A 97 -9.090 -22.318 17.424 1.00 0.00 C ATOM 1410 O SER A 97 -7.939 -22.544 17.053 1.00 0.00 O ATOM 1411 CB SER A 97 -10.695 -23.330 15.793 1.00 0.00 C ATOM 1412 OG SER A 97 -11.390 -24.115 16.746 1.00 0.00 O ATOM 0 H SER A 97 -9.608 -21.550 14.458 1.00 0.00 H new ATOM 0 HA SER A 97 -11.020 -21.539 16.935 1.00 0.00 H new ATOM 0 HB2 SER A 97 -11.352 -23.108 14.952 1.00 0.00 H new ATOM 0 HB3 SER A 97 -9.851 -23.895 15.398 1.00 0.00 H new ATOM 0 HG SER A 97 -11.701 -24.943 16.324 1.00 0.00 H new ATOM 1418 N GLY A 98 -9.450 -22.314 18.704 1.00 0.00 N ATOM 1419 CA GLY A 98 -8.479 -22.581 19.748 1.00 0.00 C ATOM 1420 C GLY A 98 -8.875 -21.972 21.079 1.00 0.00 C ATOM 1421 O GLY A 98 -10.028 -21.586 21.273 1.00 0.00 O ATOM 0 H GLY A 98 -10.397 -22.131 19.036 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -8.363 -23.658 19.865 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -7.508 -22.187 19.446 1.00 0.00 H new TER 1425 GLY A 98