USER MOD reduce.3.24.130724 H: found=0, std=0, add=834, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 834 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 66 GLN :FLIP amide:sc= 0.598 F(o=-8.9,f=-7.8) USER MOD Set 1.2: A 70 HIS : no HE2:sc= -8.41! C(o=-7.8!,f=-13!) USER MOD Set 2.1: A 51 TYR OH : rot 165:sc= 0.505 USER MOD Set 2.2: A 63 THR OG1 : rot 102:sc= 0.0149 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 10 ASN : amide:sc= -0.271 X(o=-0.27,f=-0.056) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot -168:sc= 0.257 USER MOD Single : A 35 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0345) USER MOD Single : A 41 THR OG1 : rot 30:sc= 0.329 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= -0.163 X(o=-0.16,f=0) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 GLN : amide:sc= -0.272 K(o=-0.27,f=-1.8!) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot -132:sc= 0.988 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 65 SER OG : rot 180:sc= -0.0244 USER MOD Single : A 68 TYR OH : rot -52:sc=0.000303 USER MOD Single : A 74 THR OG1 : rot -83:sc= 0.885 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= -1.87! X(o=-1.9!,f=-1.6) USER MOD Single : A 82 GLN :FLIP amide:sc= -0.333 F(o=-0.87,f=-0.33) USER MOD Single : A 83 GLN : amide:sc= 0.779 K(o=0.78,f=-9.1!) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 ASN : amide:sc= -0.204 K(o=-0.2,f=-2!) USER MOD Single : A 90 SER OG : rot -128:sc= 0.26 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot -51:sc= 0.456 USER MOD Single : A 101 ASN : amide:sc= -0.26 K(o=-0.26,f=-1.6!) USER MOD Single : A 102 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 104 ASN : amide:sc= -0.254 K(o=-0.25,f=-2.6!) USER MOD Single : A 105 ASN : amide:sc= -0.213 K(o=-0.21,f=-6.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.833 -13.110 34.274 1.00 0.00 N ATOM 2 CA GLY A 1 -8.268 -11.733 34.327 1.00 0.00 C ATOM 3 C GLY A 1 -9.066 -10.812 35.233 1.00 0.00 C ATOM 4 O GLY A 1 -8.792 -10.729 36.430 1.00 0.00 O ATOM 0 H1 GLY A 1 -8.253 -13.699 33.643 1.00 0.00 H new ATOM 0 H2 GLY A 1 -8.834 -13.522 35.229 1.00 0.00 H new ATOM 0 H3 GLY A 1 -9.808 -13.072 33.913 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -7.237 -11.780 34.679 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.243 -11.315 33.321 1.00 0.00 H new ATOM 10 N PRO A 2 -10.065 -10.101 34.686 1.00 0.00 N ATOM 11 CA PRO A 2 -10.900 -9.182 35.467 1.00 0.00 C ATOM 12 C PRO A 2 -11.826 -9.916 36.430 1.00 0.00 C ATOM 13 O PRO A 2 -11.946 -9.546 37.598 1.00 0.00 O ATOM 14 CB PRO A 2 -11.711 -8.445 34.401 1.00 0.00 C ATOM 15 CG PRO A 2 -11.765 -9.386 33.249 1.00 0.00 C ATOM 16 CD PRO A 2 -10.463 -10.136 33.266 1.00 0.00 C ATOM 0 HA PRO A 2 -10.301 -8.523 36.096 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -12.711 -8.203 34.761 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -11.236 -7.504 34.122 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -12.610 -10.069 33.342 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -11.893 -8.847 32.310 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -10.584 -11.158 32.908 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -9.718 -9.661 32.628 1.00 0.00 H new ATOM 24 N GLY A 3 -12.481 -10.960 35.931 1.00 0.00 N ATOM 25 CA GLY A 3 -13.391 -11.731 36.759 1.00 0.00 C ATOM 26 C GLY A 3 -12.883 -13.135 37.027 1.00 0.00 C ATOM 27 O GLY A 3 -12.605 -13.891 36.096 1.00 0.00 O ATOM 0 H GLY A 3 -12.398 -11.286 34.968 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -13.540 -11.215 37.707 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -14.363 -11.787 36.270 1.00 0.00 H new ATOM 31 N SER A 4 -12.762 -13.484 38.304 1.00 0.00 N ATOM 32 CA SER A 4 -12.285 -14.808 38.692 1.00 0.00 C ATOM 33 C SER A 4 -13.205 -15.899 38.152 1.00 0.00 C ATOM 34 O SER A 4 -14.259 -15.611 37.585 1.00 0.00 O ATOM 35 CB SER A 4 -12.191 -14.911 40.216 1.00 0.00 C ATOM 36 OG SER A 4 -10.903 -14.540 40.674 1.00 0.00 O ATOM 0 H SER A 4 -12.987 -12.870 39.087 1.00 0.00 H new ATOM 0 HA SER A 4 -11.293 -14.950 38.262 1.00 0.00 H new ATOM 0 HB2 SER A 4 -12.942 -14.268 40.674 1.00 0.00 H new ATOM 0 HB3 SER A 4 -12.412 -15.932 40.529 1.00 0.00 H new ATOM 0 HG SER A 4 -10.870 -14.613 41.651 1.00 0.00 H new ATOM 42 N LEU A 5 -12.797 -17.150 38.332 1.00 0.00 N ATOM 43 CA LEU A 5 -13.586 -18.285 37.863 1.00 0.00 C ATOM 44 C LEU A 5 -14.404 -18.886 39.000 1.00 0.00 C ATOM 45 O LEU A 5 -14.668 -20.089 39.022 1.00 0.00 O ATOM 46 CB LEU A 5 -12.670 -19.351 37.256 1.00 0.00 C ATOM 47 CG LEU A 5 -12.409 -19.201 35.756 1.00 0.00 C ATOM 48 CD1 LEU A 5 -11.778 -17.850 35.457 1.00 0.00 C ATOM 49 CD2 LEU A 5 -11.518 -20.328 35.258 1.00 0.00 C ATOM 0 H LEU A 5 -11.926 -17.405 38.798 1.00 0.00 H new ATOM 0 HA LEU A 5 -14.274 -17.927 37.097 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -11.714 -19.328 37.780 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -13.110 -20.332 37.437 1.00 0.00 H new ATOM 0 HG LEU A 5 -13.363 -19.257 35.232 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -11.599 -17.761 34.385 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -12.450 -17.055 35.780 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -10.832 -17.764 35.991 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -11.342 -20.207 34.189 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -10.566 -20.301 35.788 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -12.007 -21.285 35.439 1.00 0.00 H new ATOM 61 N SER A 6 -14.805 -18.042 39.946 1.00 0.00 N ATOM 62 CA SER A 6 -15.595 -18.491 41.086 1.00 0.00 C ATOM 63 C SER A 6 -17.049 -18.054 40.947 1.00 0.00 C ATOM 64 O SER A 6 -17.367 -16.871 41.070 1.00 0.00 O ATOM 65 CB SER A 6 -15.007 -17.940 42.388 1.00 0.00 C ATOM 66 OG SER A 6 -13.621 -17.679 42.252 1.00 0.00 O ATOM 0 H SER A 6 -14.596 -17.044 39.945 1.00 0.00 H new ATOM 0 HA SER A 6 -15.563 -19.580 41.112 1.00 0.00 H new ATOM 0 HB2 SER A 6 -15.527 -17.023 42.666 1.00 0.00 H new ATOM 0 HB3 SER A 6 -15.168 -18.655 43.195 1.00 0.00 H new ATOM 0 HG SER A 6 -13.270 -17.326 43.096 1.00 0.00 H new ATOM 72 N ASN A 7 -17.927 -19.017 40.690 1.00 0.00 N ATOM 73 CA ASN A 7 -19.349 -18.733 40.533 1.00 0.00 C ATOM 74 C ASN A 7 -19.589 -17.775 39.370 1.00 0.00 C ATOM 75 O ASN A 7 -18.644 -17.259 38.774 1.00 0.00 O ATOM 76 CB ASN A 7 -19.917 -18.139 41.824 1.00 0.00 C ATOM 77 CG ASN A 7 -19.983 -19.156 42.947 1.00 0.00 C ATOM 78 OD1 ASN A 7 -18.963 -19.700 43.369 1.00 0.00 O ATOM 79 ND2 ASN A 7 -21.189 -19.417 43.439 1.00 0.00 N ATOM 0 H ASN A 7 -17.679 -20.001 40.586 1.00 0.00 H new ATOM 0 HA ASN A 7 -19.859 -19.672 40.317 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -19.299 -17.297 42.136 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -20.916 -17.748 41.632 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -21.296 -20.092 44.197 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -22.008 -18.943 43.059 1.00 0.00 H new ATOM 86 N PHE A 8 -20.857 -17.542 39.053 1.00 0.00 N ATOM 87 CA PHE A 8 -21.220 -16.645 37.962 1.00 0.00 C ATOM 88 C PHE A 8 -21.241 -15.195 38.432 1.00 0.00 C ATOM 89 O PHE A 8 -21.667 -14.899 39.548 1.00 0.00 O ATOM 90 CB PHE A 8 -22.587 -17.029 37.392 1.00 0.00 C ATOM 91 CG PHE A 8 -23.681 -17.053 38.422 1.00 0.00 C ATOM 92 CD1 PHE A 8 -24.196 -15.871 38.931 1.00 0.00 C ATOM 93 CD2 PHE A 8 -24.195 -18.256 38.878 1.00 0.00 C ATOM 94 CE1 PHE A 8 -25.203 -15.889 39.878 1.00 0.00 C ATOM 95 CE2 PHE A 8 -25.201 -18.281 39.825 1.00 0.00 C ATOM 96 CZ PHE A 8 -25.706 -17.096 40.325 1.00 0.00 C ATOM 0 H PHE A 8 -21.651 -17.962 39.536 1.00 0.00 H new ATOM 0 HA PHE A 8 -20.467 -16.742 37.180 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -22.855 -16.324 36.605 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -22.515 -18.012 36.927 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -23.806 -14.925 38.584 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -23.805 -19.185 38.489 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -25.596 -14.962 40.268 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -25.592 -19.225 40.174 1.00 0.00 H new ATOM 0 HZ PHE A 8 -26.493 -17.113 41.064 1.00 0.00 H new ATOM 106 N ALA A 9 -20.776 -14.293 37.573 1.00 0.00 N ATOM 107 CA ALA A 9 -20.743 -12.873 37.900 1.00 0.00 C ATOM 108 C ALA A 9 -22.151 -12.315 38.070 1.00 0.00 C ATOM 109 O ALA A 9 -23.132 -12.955 37.696 1.00 0.00 O ATOM 110 CB ALA A 9 -19.993 -12.101 36.824 1.00 0.00 C ATOM 0 H ALA A 9 -20.417 -14.521 36.646 1.00 0.00 H new ATOM 0 HA ALA A 9 -20.218 -12.756 38.848 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -19.976 -11.042 37.081 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -18.971 -12.474 36.754 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -20.494 -12.234 35.865 1.00 0.00 H new ATOM 116 N ASN A 10 -22.243 -11.116 38.638 1.00 0.00 N ATOM 117 CA ASN A 10 -23.531 -10.472 38.859 1.00 0.00 C ATOM 118 C ASN A 10 -23.837 -9.471 37.749 1.00 0.00 C ATOM 119 O ASN A 10 -24.398 -8.404 37.996 1.00 0.00 O ATOM 120 CB ASN A 10 -23.545 -9.765 40.216 1.00 0.00 C ATOM 121 CG ASN A 10 -24.888 -9.881 40.913 1.00 0.00 C ATOM 122 OD1 ASN A 10 -25.479 -8.879 41.314 1.00 0.00 O ATOM 123 ND2 ASN A 10 -25.374 -11.107 41.060 1.00 0.00 N ATOM 0 H ASN A 10 -21.440 -10.572 38.953 1.00 0.00 H new ATOM 0 HA ASN A 10 -24.301 -11.244 38.850 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -22.770 -10.191 40.853 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -23.300 -8.712 40.077 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -26.273 -11.247 41.521 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -24.849 -11.909 40.712 1.00 0.00 H new ATOM 130 N VAL A 11 -23.466 -9.824 36.522 1.00 0.00 N ATOM 131 CA VAL A 11 -23.701 -8.958 35.374 1.00 0.00 C ATOM 132 C VAL A 11 -24.141 -9.765 34.158 1.00 0.00 C ATOM 133 O VAL A 11 -23.664 -10.877 33.932 1.00 0.00 O ATOM 134 CB VAL A 11 -22.440 -8.151 35.011 1.00 0.00 C ATOM 135 CG1 VAL A 11 -22.759 -7.113 33.945 1.00 0.00 C ATOM 136 CG2 VAL A 11 -21.853 -7.491 36.248 1.00 0.00 C ATOM 0 H VAL A 11 -23.001 -10.704 36.298 1.00 0.00 H new ATOM 0 HA VAL A 11 -24.496 -8.268 35.656 1.00 0.00 H new ATOM 0 HB VAL A 11 -21.696 -8.838 34.607 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -21.856 -6.553 33.701 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -23.129 -7.613 33.050 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -23.521 -6.429 34.319 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -20.963 -6.926 35.971 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -22.590 -6.817 36.685 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -21.585 -8.256 36.976 1.00 0.00 H new ATOM 146 N GLY A 12 -25.052 -9.197 33.374 1.00 0.00 N ATOM 147 CA GLY A 12 -25.542 -9.878 32.190 1.00 0.00 C ATOM 148 C GLY A 12 -24.923 -9.340 30.915 1.00 0.00 C ATOM 149 O GLY A 12 -24.783 -10.068 29.931 1.00 0.00 O ATOM 0 H GLY A 12 -25.460 -8.277 33.538 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -25.328 -10.944 32.273 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -26.626 -9.773 32.137 1.00 0.00 H new ATOM 153 N VAL A 13 -24.551 -8.065 30.932 1.00 0.00 N ATOM 154 CA VAL A 13 -23.943 -7.430 29.770 1.00 0.00 C ATOM 155 C VAL A 13 -22.422 -7.404 29.889 1.00 0.00 C ATOM 156 O VAL A 13 -21.771 -6.453 29.457 1.00 0.00 O ATOM 157 CB VAL A 13 -24.456 -5.990 29.580 1.00 0.00 C ATOM 158 CG1 VAL A 13 -24.022 -5.438 28.230 1.00 0.00 C ATOM 159 CG2 VAL A 13 -25.971 -5.938 29.722 1.00 0.00 C ATOM 0 H VAL A 13 -24.660 -7.451 31.739 1.00 0.00 H new ATOM 0 HA VAL A 13 -24.227 -8.025 28.902 1.00 0.00 H new ATOM 0 HB VAL A 13 -24.018 -5.365 30.359 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -24.395 -4.420 28.116 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -22.934 -5.435 28.171 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -24.426 -6.063 27.434 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -26.314 -4.913 29.585 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -26.429 -6.578 28.968 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -26.256 -6.286 30.715 1.00 0.00 H new ATOM 169 N GLY A 14 -21.863 -8.456 30.479 1.00 0.00 N ATOM 170 CA GLY A 14 -20.423 -8.535 30.644 1.00 0.00 C ATOM 171 C GLY A 14 -19.796 -9.613 29.783 1.00 0.00 C ATOM 172 O GLY A 14 -18.805 -9.371 29.096 1.00 0.00 O ATOM 0 H GLY A 14 -22.381 -9.255 30.846 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -19.979 -7.571 30.394 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -20.191 -8.731 31.691 1.00 0.00 H new ATOM 176 N THR A 15 -20.377 -10.809 29.821 1.00 0.00 N ATOM 177 CA THR A 15 -19.871 -11.929 29.037 1.00 0.00 C ATOM 178 C THR A 15 -20.741 -12.172 27.808 1.00 0.00 C ATOM 179 O THR A 15 -21.964 -12.050 27.868 1.00 0.00 O ATOM 180 CB THR A 15 -19.815 -13.194 29.895 1.00 0.00 C ATOM 181 OG1 THR A 15 -19.577 -12.868 31.253 1.00 0.00 O ATOM 182 CG2 THR A 15 -18.740 -14.166 29.461 1.00 0.00 C ATOM 0 H THR A 15 -21.198 -11.026 30.386 1.00 0.00 H new ATOM 0 HA THR A 15 -18.864 -11.680 28.702 1.00 0.00 H new ATOM 0 HB THR A 15 -20.786 -13.672 29.767 1.00 0.00 H new ATOM 0 HG1 THR A 15 -19.546 -13.690 31.786 1.00 0.00 H new ATOM 0 HG21 THR A 15 -18.756 -15.040 30.112 1.00 0.00 H new ATOM 0 HG22 THR A 15 -18.924 -14.476 28.432 1.00 0.00 H new ATOM 0 HG23 THR A 15 -17.765 -13.683 29.526 1.00 0.00 H new ATOM 190 N SER A 16 -20.101 -12.517 26.695 1.00 0.00 N ATOM 191 CA SER A 16 -20.817 -12.778 25.453 1.00 0.00 C ATOM 192 C SER A 16 -19.870 -13.313 24.382 1.00 0.00 C ATOM 193 O SER A 16 -19.989 -14.461 23.952 1.00 0.00 O ATOM 194 CB SER A 16 -21.499 -11.502 24.954 1.00 0.00 C ATOM 195 OG SER A 16 -20.735 -10.354 25.282 1.00 0.00 O ATOM 0 H SER A 16 -19.089 -12.622 26.629 1.00 0.00 H new ATOM 0 HA SER A 16 -21.577 -13.534 25.653 1.00 0.00 H new ATOM 0 HB2 SER A 16 -21.634 -11.557 23.874 1.00 0.00 H new ATOM 0 HB3 SER A 16 -22.492 -11.420 25.396 1.00 0.00 H new ATOM 0 HG SER A 16 -21.191 -9.552 24.951 1.00 0.00 H new ATOM 201 N SER A 17 -18.931 -12.475 23.957 1.00 0.00 N ATOM 202 CA SER A 17 -17.965 -12.864 22.937 1.00 0.00 C ATOM 203 C SER A 17 -16.940 -13.842 23.502 1.00 0.00 C ATOM 204 O SER A 17 -16.949 -14.145 24.696 1.00 0.00 O ATOM 205 CB SER A 17 -17.254 -11.629 22.380 1.00 0.00 C ATOM 206 OG SER A 17 -16.550 -10.942 23.399 1.00 0.00 O ATOM 0 H SER A 17 -18.818 -11.522 24.303 1.00 0.00 H new ATOM 0 HA SER A 17 -18.506 -13.358 22.130 1.00 0.00 H new ATOM 0 HB2 SER A 17 -16.561 -11.928 21.594 1.00 0.00 H new ATOM 0 HB3 SER A 17 -17.984 -10.960 21.924 1.00 0.00 H new ATOM 0 HG SER A 17 -16.103 -10.158 23.017 1.00 0.00 H new ATOM 212 N GLY A 18 -16.056 -14.331 22.638 1.00 0.00 N ATOM 213 CA GLY A 18 -15.037 -15.269 23.071 1.00 0.00 C ATOM 214 C GLY A 18 -13.641 -14.841 22.659 1.00 0.00 C ATOM 215 O GLY A 18 -12.790 -14.580 23.508 1.00 0.00 O ATOM 0 H GLY A 18 -16.027 -14.094 21.646 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -15.078 -15.369 24.156 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -15.251 -16.252 22.652 1.00 0.00 H new ATOM 219 N LYS A 19 -13.407 -14.771 21.352 1.00 0.00 N ATOM 220 CA LYS A 19 -12.105 -14.372 20.830 1.00 0.00 C ATOM 221 C LYS A 19 -12.258 -13.361 19.700 1.00 0.00 C ATOM 222 O LYS A 19 -13.063 -13.551 18.788 1.00 0.00 O ATOM 223 CB LYS A 19 -11.335 -15.598 20.334 1.00 0.00 C ATOM 224 CG LYS A 19 -12.002 -16.303 19.164 1.00 0.00 C ATOM 225 CD LYS A 19 -12.292 -17.762 19.480 1.00 0.00 C ATOM 226 CE LYS A 19 -11.179 -18.671 18.982 1.00 0.00 C ATOM 227 NZ LYS A 19 -11.224 -20.010 19.633 1.00 0.00 N ATOM 0 H LYS A 19 -14.101 -14.985 20.636 1.00 0.00 H new ATOM 0 HA LYS A 19 -11.545 -13.902 21.639 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -10.332 -15.291 20.039 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -11.223 -16.304 21.157 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -12.932 -15.793 18.914 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -11.358 -16.241 18.287 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -12.410 -17.886 20.556 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -13.236 -18.055 19.020 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -11.263 -18.789 17.902 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -10.214 -18.204 19.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -10.450 -20.600 19.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -11.119 -19.900 20.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -12.135 -20.467 19.425 1.00 0.00 H new ATOM 241 N GLN A 20 -11.480 -12.285 19.764 1.00 0.00 N ATOM 242 CA GLN A 20 -11.531 -11.244 18.745 1.00 0.00 C ATOM 243 C GLN A 20 -10.469 -10.178 19.002 1.00 0.00 C ATOM 244 O GLN A 20 -10.723 -9.186 19.686 1.00 0.00 O ATOM 245 CB GLN A 20 -12.919 -10.600 18.712 1.00 0.00 C ATOM 246 CG GLN A 20 -13.371 -10.203 17.315 1.00 0.00 C ATOM 247 CD GLN A 20 -14.806 -10.602 17.031 1.00 0.00 C ATOM 248 OE1 GLN A 20 -15.731 -10.166 17.715 1.00 0.00 O ATOM 249 NE2 GLN A 20 -14.997 -11.436 16.015 1.00 0.00 N ATOM 0 H GLN A 20 -10.807 -12.112 20.511 1.00 0.00 H new ATOM 0 HA GLN A 20 -11.330 -11.707 17.779 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -13.644 -11.295 19.136 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -12.916 -9.716 19.349 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -13.267 -9.124 17.196 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -12.716 -10.669 16.579 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -14.200 -11.773 15.475 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -15.941 -11.740 15.775 1.00 0.00 H new ATOM 258 N LYS A 21 -9.279 -10.391 18.450 1.00 0.00 N ATOM 259 CA LYS A 21 -8.178 -9.448 18.618 1.00 0.00 C ATOM 260 C LYS A 21 -7.116 -9.658 17.544 1.00 0.00 C ATOM 261 O LYS A 21 -6.861 -10.785 17.120 1.00 0.00 O ATOM 262 CB LYS A 21 -7.558 -9.602 20.010 1.00 0.00 C ATOM 263 CG LYS A 21 -7.978 -8.514 20.985 1.00 0.00 C ATOM 264 CD LYS A 21 -7.857 -8.982 22.427 1.00 0.00 C ATOM 265 CE LYS A 21 -9.175 -9.538 22.944 1.00 0.00 C ATOM 266 NZ LYS A 21 -9.440 -9.121 24.349 1.00 0.00 N ATOM 0 H LYS A 21 -9.052 -11.208 17.883 1.00 0.00 H new ATOM 0 HA LYS A 21 -8.574 -8.438 18.516 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -7.838 -10.573 20.419 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -6.472 -9.597 19.918 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -7.358 -7.630 20.835 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -9.008 -8.219 20.782 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -7.085 -9.748 22.499 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -7.540 -8.150 23.056 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -9.989 -9.197 22.304 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -9.158 -10.626 22.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -10.347 -9.520 24.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -8.677 -9.468 24.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -9.482 -8.083 24.401 1.00 0.00 H new ATOM 280 N ARG A 22 -6.498 -8.563 17.109 1.00 0.00 N ATOM 281 CA ARG A 22 -5.461 -8.622 16.084 1.00 0.00 C ATOM 282 C ARG A 22 -6.020 -9.166 14.772 1.00 0.00 C ATOM 283 O ARG A 22 -6.917 -10.008 14.769 1.00 0.00 O ATOM 284 CB ARG A 22 -4.294 -9.493 16.554 1.00 0.00 C ATOM 285 CG ARG A 22 -3.459 -8.851 17.651 1.00 0.00 C ATOM 286 CD ARG A 22 -2.876 -9.895 18.591 1.00 0.00 C ATOM 287 NE ARG A 22 -1.487 -10.213 18.261 1.00 0.00 N ATOM 288 CZ ARG A 22 -1.126 -11.091 17.327 1.00 0.00 C ATOM 289 NH1 ARG A 22 -2.045 -11.750 16.632 1.00 0.00 N ATOM 290 NH2 ARG A 22 0.159 -11.314 17.091 1.00 0.00 N ATOM 0 H ARG A 22 -6.698 -7.623 17.451 1.00 0.00 H new ATOM 0 HA ARG A 22 -5.101 -7.608 15.912 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -4.684 -10.444 16.915 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -3.651 -9.715 15.702 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -2.652 -8.272 17.203 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -4.075 -8.153 18.218 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -2.931 -9.531 19.617 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -3.477 -10.803 18.543 1.00 0.00 H new ATOM 0 HE ARG A 22 -0.750 -9.733 18.778 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -3.035 -11.585 16.812 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -1.761 -12.421 15.918 1.00 0.00 H new ATOM 0 HH21 ARG A 22 0.870 -10.813 17.624 1.00 0.00 H new ATOM 0 HH22 ARG A 22 0.437 -11.986 16.376 1.00 0.00 H new ATOM 304 N TYR A 23 -5.483 -8.678 13.657 1.00 0.00 N ATOM 305 CA TYR A 23 -5.928 -9.114 12.341 1.00 0.00 C ATOM 306 C TYR A 23 -5.104 -8.453 11.239 1.00 0.00 C ATOM 307 O TYR A 23 -5.120 -7.232 11.087 1.00 0.00 O ATOM 308 CB TYR A 23 -7.412 -8.791 12.148 1.00 0.00 C ATOM 309 CG TYR A 23 -8.321 -9.991 12.306 1.00 0.00 C ATOM 310 CD1 TYR A 23 -8.019 -11.200 11.692 1.00 0.00 C ATOM 311 CD2 TYR A 23 -9.480 -9.912 13.065 1.00 0.00 C ATOM 312 CE1 TYR A 23 -8.847 -12.297 11.833 1.00 0.00 C ATOM 313 CE2 TYR A 23 -10.314 -11.006 13.212 1.00 0.00 C ATOM 314 CZ TYR A 23 -9.992 -12.195 12.594 1.00 0.00 C ATOM 315 OH TYR A 23 -10.820 -13.285 12.736 1.00 0.00 O ATOM 0 H TYR A 23 -4.739 -7.980 13.641 1.00 0.00 H new ATOM 0 HA TYR A 23 -5.786 -10.193 12.277 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -7.705 -8.027 12.868 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -7.556 -8.365 11.155 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -7.123 -11.284 11.095 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -9.735 -8.981 13.549 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -8.598 -13.230 11.349 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -11.212 -10.929 13.807 1.00 0.00 H new ATOM 0 HH TYR A 23 -11.582 -13.045 13.304 1.00 0.00 H new ATOM 325 N LYS A 24 -4.388 -9.268 10.471 1.00 0.00 N ATOM 326 CA LYS A 24 -3.561 -8.763 9.382 1.00 0.00 C ATOM 327 C LYS A 24 -4.377 -8.633 8.100 1.00 0.00 C ATOM 328 O LYS A 24 -4.028 -9.200 7.065 1.00 0.00 O ATOM 329 CB LYS A 24 -2.363 -9.686 9.151 1.00 0.00 C ATOM 330 CG LYS A 24 -1.373 -9.699 10.304 1.00 0.00 C ATOM 331 CD LYS A 24 -1.679 -10.818 11.288 1.00 0.00 C ATOM 332 CE LYS A 24 -1.371 -12.182 10.694 1.00 0.00 C ATOM 333 NZ LYS A 24 -2.297 -13.231 11.201 1.00 0.00 N ATOM 0 H LYS A 24 -4.364 -10.282 10.583 1.00 0.00 H new ATOM 0 HA LYS A 24 -3.196 -7.775 9.661 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -2.724 -10.700 8.982 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -1.846 -9.376 8.243 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -0.362 -9.821 9.916 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -1.402 -8.740 10.821 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -1.094 -10.675 12.196 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -2.730 -10.774 11.575 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -1.442 -12.129 9.608 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -0.344 -12.458 10.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -2.053 -14.146 10.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -2.211 -13.300 12.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -3.275 -12.981 10.951 1.00 0.00 H new ATOM 347 N PHE A 25 -5.470 -7.881 8.180 1.00 0.00 N ATOM 348 CA PHE A 25 -6.343 -7.672 7.031 1.00 0.00 C ATOM 349 C PHE A 25 -5.607 -6.976 5.898 1.00 0.00 C ATOM 350 O PHE A 25 -4.616 -6.281 6.122 1.00 0.00 O ATOM 351 CB PHE A 25 -7.573 -6.856 7.438 1.00 0.00 C ATOM 352 CG PHE A 25 -8.874 -7.504 7.057 1.00 0.00 C ATOM 353 CD1 PHE A 25 -9.195 -8.769 7.521 1.00 0.00 C ATOM 354 CD2 PHE A 25 -9.774 -6.848 6.233 1.00 0.00 C ATOM 355 CE1 PHE A 25 -10.391 -9.368 7.171 1.00 0.00 C ATOM 356 CE2 PHE A 25 -10.972 -7.441 5.879 1.00 0.00 C ATOM 357 CZ PHE A 25 -11.280 -8.703 6.349 1.00 0.00 C ATOM 0 H PHE A 25 -5.772 -7.406 9.030 1.00 0.00 H new ATOM 0 HA PHE A 25 -6.666 -8.650 6.675 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -7.556 -6.701 8.517 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -7.516 -5.872 6.973 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -8.503 -9.293 8.163 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -9.537 -5.862 5.863 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -10.630 -10.355 7.540 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -11.665 -6.919 5.236 1.00 0.00 H new ATOM 0 HZ PHE A 25 -12.215 -9.169 6.074 1.00 0.00 H new ATOM 367 N SER A 26 -6.110 -7.147 4.676 1.00 0.00 N ATOM 368 CA SER A 26 -5.516 -6.512 3.506 1.00 0.00 C ATOM 369 C SER A 26 -5.837 -5.025 3.531 1.00 0.00 C ATOM 370 O SER A 26 -6.391 -4.472 2.580 1.00 0.00 O ATOM 371 CB SER A 26 -6.045 -7.149 2.219 1.00 0.00 C ATOM 372 OG SER A 26 -5.410 -8.391 1.966 1.00 0.00 O ATOM 0 H SER A 26 -6.928 -7.721 4.473 1.00 0.00 H new ATOM 0 HA SER A 26 -4.435 -6.653 3.531 1.00 0.00 H new ATOM 0 HB2 SER A 26 -7.122 -7.297 2.299 1.00 0.00 H new ATOM 0 HB3 SER A 26 -5.878 -6.474 1.380 1.00 0.00 H new ATOM 0 HG SER A 26 -5.767 -8.778 1.139 1.00 0.00 H new ATOM 378 N ALA A 27 -5.498 -4.399 4.649 1.00 0.00 N ATOM 379 CA ALA A 27 -5.746 -2.988 4.871 1.00 0.00 C ATOM 380 C ALA A 27 -5.525 -2.651 6.341 1.00 0.00 C ATOM 381 O ALA A 27 -5.192 -1.516 6.682 1.00 0.00 O ATOM 382 CB ALA A 27 -7.162 -2.621 4.451 1.00 0.00 C ATOM 0 H ALA A 27 -5.039 -4.864 5.433 1.00 0.00 H new ATOM 0 HA ALA A 27 -5.050 -2.409 4.264 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -7.329 -1.558 4.625 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -7.296 -2.841 3.392 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -7.877 -3.201 5.035 1.00 0.00 H new ATOM 388 N SER A 28 -5.703 -3.650 7.219 1.00 0.00 N ATOM 389 CA SER A 28 -5.509 -3.443 8.651 1.00 0.00 C ATOM 390 C SER A 28 -4.165 -2.773 8.921 1.00 0.00 C ATOM 391 O SER A 28 -4.022 -2.009 9.875 1.00 0.00 O ATOM 392 CB SER A 28 -5.586 -4.776 9.398 1.00 0.00 C ATOM 393 OG SER A 28 -6.423 -4.675 10.537 1.00 0.00 O ATOM 0 H SER A 28 -5.978 -4.598 6.960 1.00 0.00 H new ATOM 0 HA SER A 28 -6.304 -2.789 9.011 1.00 0.00 H new ATOM 0 HB2 SER A 28 -5.967 -5.549 8.730 1.00 0.00 H new ATOM 0 HB3 SER A 28 -4.586 -5.083 9.704 1.00 0.00 H new ATOM 0 HG SER A 28 -6.307 -5.469 11.099 1.00 0.00 H new ATOM 399 N GLU A 29 -3.185 -3.065 8.071 1.00 0.00 N ATOM 400 CA GLU A 29 -1.852 -2.489 8.217 1.00 0.00 C ATOM 401 C GLU A 29 -1.916 -0.963 8.230 1.00 0.00 C ATOM 402 O GLU A 29 -1.379 -0.318 9.131 1.00 0.00 O ATOM 403 CB GLU A 29 -0.932 -2.966 7.088 1.00 0.00 C ATOM 404 CG GLU A 29 -1.591 -2.978 5.716 1.00 0.00 C ATOM 405 CD GLU A 29 -0.937 -2.012 4.748 1.00 0.00 C ATOM 406 OE1 GLU A 29 -1.345 -0.831 4.719 1.00 0.00 O ATOM 407 OE2 GLU A 29 -0.019 -2.436 4.014 1.00 0.00 O ATOM 0 H GLU A 29 -3.288 -3.695 7.276 1.00 0.00 H new ATOM 0 HA GLU A 29 -1.444 -2.826 9.170 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -0.054 -2.322 7.052 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -0.581 -3.971 7.320 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -1.546 -3.986 5.304 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -2.646 -2.723 5.821 1.00 0.00 H new ATOM 414 N ASP A 30 -2.584 -0.391 7.230 1.00 0.00 N ATOM 415 CA ASP A 30 -2.721 1.058 7.136 1.00 0.00 C ATOM 416 C ASP A 30 -3.357 1.616 8.404 1.00 0.00 C ATOM 417 O ASP A 30 -3.013 2.707 8.858 1.00 0.00 O ATOM 418 CB ASP A 30 -3.563 1.435 5.916 1.00 0.00 C ATOM 419 CG ASP A 30 -3.041 2.671 5.210 1.00 0.00 C ATOM 420 OD1 ASP A 30 -2.457 3.540 5.891 1.00 0.00 O ATOM 421 OD2 ASP A 30 -3.215 2.769 3.978 1.00 0.00 O ATOM 0 H ASP A 30 -3.037 -0.908 6.477 1.00 0.00 H new ATOM 0 HA ASP A 30 -1.727 1.491 7.024 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -3.577 0.599 5.216 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -4.593 1.607 6.228 1.00 0.00 H new ATOM 426 N GLU A 31 -4.280 0.850 8.974 1.00 0.00 N ATOM 427 CA GLU A 31 -4.961 1.253 10.196 1.00 0.00 C ATOM 428 C GLU A 31 -3.991 1.249 11.372 1.00 0.00 C ATOM 429 O GLU A 31 -4.148 2.012 12.323 1.00 0.00 O ATOM 430 CB GLU A 31 -6.141 0.321 10.485 1.00 0.00 C ATOM 431 CG GLU A 31 -7.104 0.184 9.317 1.00 0.00 C ATOM 432 CD GLU A 31 -8.341 1.047 9.475 1.00 0.00 C ATOM 433 OE1 GLU A 31 -9.065 0.869 10.477 1.00 0.00 O ATOM 434 OE2 GLU A 31 -8.586 1.899 8.594 1.00 0.00 O ATOM 0 H GLU A 31 -4.574 -0.055 8.607 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.341 2.265 10.058 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -5.759 -0.665 10.749 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -6.685 0.694 11.353 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -6.591 0.456 8.395 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -7.404 -0.859 9.219 1.00 0.00 H new ATOM 441 N ALA A 32 -2.989 0.382 11.299 1.00 0.00 N ATOM 442 CA ALA A 32 -1.993 0.286 12.355 1.00 0.00 C ATOM 443 C ALA A 32 -1.035 1.468 12.304 1.00 0.00 C ATOM 444 O ALA A 32 -0.551 1.930 13.338 1.00 0.00 O ATOM 445 CB ALA A 32 -1.230 -1.026 12.251 1.00 0.00 C ATOM 0 H ALA A 32 -2.846 -0.262 10.521 1.00 0.00 H new ATOM 0 HA ALA A 32 -2.510 0.309 13.314 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -0.489 -1.080 13.049 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -1.926 -1.860 12.344 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -0.727 -1.079 11.285 1.00 0.00 H new ATOM 451 N ILE A 33 -0.768 1.963 11.098 1.00 0.00 N ATOM 452 CA ILE A 33 0.129 3.101 10.936 1.00 0.00 C ATOM 453 C ILE A 33 -0.532 4.380 11.424 1.00 0.00 C ATOM 454 O ILE A 33 0.085 5.177 12.129 1.00 0.00 O ATOM 455 CB ILE A 33 0.578 3.309 9.477 1.00 0.00 C ATOM 456 CG1 ILE A 33 0.808 1.969 8.776 1.00 0.00 C ATOM 457 CG2 ILE A 33 1.843 4.153 9.446 1.00 0.00 C ATOM 458 CD1 ILE A 33 1.339 2.110 7.364 1.00 0.00 C ATOM 0 H ILE A 33 -1.156 1.598 10.228 1.00 0.00 H new ATOM 0 HA ILE A 33 1.011 2.873 11.535 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.214 3.832 8.940 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.510 1.377 9.363 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.131 1.416 8.749 1.00 0.00 H new ATOM 0 HG21 ILE A 33 2.158 4.298 8.413 1.00 0.00 H new ATOM 0 HG22 ILE A 33 1.645 5.122 9.905 1.00 0.00 H new ATOM 0 HG23 ILE A 33 2.633 3.644 9.998 1.00 0.00 H new ATOM 0 HD11 ILE A 33 1.479 1.121 6.927 1.00 0.00 H new ATOM 0 HD12 ILE A 33 0.627 2.675 6.762 1.00 0.00 H new ATOM 0 HD13 ILE A 33 2.294 2.635 7.385 1.00 0.00 H new ATOM 470 N ILE A 34 -1.790 4.572 11.047 1.00 0.00 N ATOM 471 CA ILE A 34 -2.524 5.761 11.460 1.00 0.00 C ATOM 472 C ILE A 34 -2.711 5.768 12.971 1.00 0.00 C ATOM 473 O ILE A 34 -2.599 6.811 13.617 1.00 0.00 O ATOM 474 CB ILE A 34 -3.899 5.866 10.768 1.00 0.00 C ATOM 475 CG1 ILE A 34 -4.627 4.521 10.796 1.00 0.00 C ATOM 476 CG2 ILE A 34 -3.734 6.358 9.337 1.00 0.00 C ATOM 477 CD1 ILE A 34 -5.922 4.551 11.578 1.00 0.00 C ATOM 0 H ILE A 34 -2.319 3.926 10.461 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.931 6.624 11.157 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.505 6.588 11.316 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.837 4.209 9.773 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -3.968 3.769 11.229 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -4.712 6.427 8.861 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.263 7.341 9.342 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.109 5.659 8.782 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -6.384 3.564 11.555 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -5.717 4.832 12.611 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -6.600 5.279 11.132 1.00 0.00 H new ATOM 489 N LYS A 35 -2.975 4.593 13.535 1.00 0.00 N ATOM 490 CA LYS A 35 -3.150 4.466 14.974 1.00 0.00 C ATOM 491 C LYS A 35 -1.802 4.591 15.669 1.00 0.00 C ATOM 492 O LYS A 35 -1.686 5.213 16.725 1.00 0.00 O ATOM 493 CB LYS A 35 -3.801 3.126 15.322 1.00 0.00 C ATOM 494 CG LYS A 35 -5.279 3.059 14.970 1.00 0.00 C ATOM 495 CD LYS A 35 -5.727 1.627 14.717 1.00 0.00 C ATOM 496 CE LYS A 35 -6.464 1.054 15.916 1.00 0.00 C ATOM 497 NZ LYS A 35 -5.593 0.984 17.123 1.00 0.00 N ATOM 0 H LYS A 35 -3.072 3.719 13.018 1.00 0.00 H new ATOM 0 HA LYS A 35 -3.807 5.265 15.319 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -3.274 2.328 14.798 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -3.681 2.939 16.389 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -5.867 3.487 15.781 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -5.471 3.664 14.084 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -6.376 1.597 13.841 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -4.859 1.007 14.492 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -7.337 1.670 16.134 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -6.830 0.056 15.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -6.106 0.510 17.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -4.731 0.446 16.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -5.333 1.946 17.420 1.00 0.00 H new ATOM 511 N GLY A 36 -0.783 4.006 15.051 1.00 0.00 N ATOM 512 CA GLY A 36 0.554 4.072 15.604 1.00 0.00 C ATOM 513 C GLY A 36 1.078 5.491 15.632 1.00 0.00 C ATOM 514 O GLY A 36 1.636 5.937 16.633 1.00 0.00 O ATOM 0 H GLY A 36 -0.860 3.487 14.176 1.00 0.00 H new ATOM 0 HA2 GLY A 36 0.550 3.665 16.615 1.00 0.00 H new ATOM 0 HA3 GLY A 36 1.224 3.448 15.012 1.00 0.00 H new ATOM 518 N LEU A 37 0.886 6.205 14.528 1.00 0.00 N ATOM 519 CA LEU A 37 1.330 7.588 14.418 1.00 0.00 C ATOM 520 C LEU A 37 0.632 8.459 15.457 1.00 0.00 C ATOM 521 O LEU A 37 1.255 9.316 16.083 1.00 0.00 O ATOM 522 CB LEU A 37 1.048 8.122 13.011 1.00 0.00 C ATOM 523 CG LEU A 37 2.286 8.544 12.214 1.00 0.00 C ATOM 524 CD1 LEU A 37 2.658 7.478 11.192 1.00 0.00 C ATOM 525 CD2 LEU A 37 2.050 9.883 11.530 1.00 0.00 C ATOM 0 H LEU A 37 0.423 5.846 13.693 1.00 0.00 H new ATOM 0 HA LEU A 37 2.404 7.621 14.602 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.517 7.354 12.448 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.378 8.978 13.092 1.00 0.00 H new ATOM 0 HG LEU A 37 3.118 8.655 12.909 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.540 7.798 10.637 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.873 6.541 11.706 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.828 7.331 10.501 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.940 10.167 10.969 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.203 9.799 10.849 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.838 10.643 12.282 1.00 0.00 H new ATOM 537 N ALA A 38 -0.667 8.235 15.631 1.00 0.00 N ATOM 538 CA ALA A 38 -1.450 9.000 16.592 1.00 0.00 C ATOM 539 C ALA A 38 -1.024 8.701 18.027 1.00 0.00 C ATOM 540 O ALA A 38 -1.336 9.460 18.944 1.00 0.00 O ATOM 541 CB ALA A 38 -2.932 8.711 16.410 1.00 0.00 C ATOM 0 H ALA A 38 -1.198 7.530 15.119 1.00 0.00 H new ATOM 0 HA ALA A 38 -1.267 10.058 16.405 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -3.507 9.289 17.134 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -3.236 8.989 15.401 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -3.117 7.648 16.565 1.00 0.00 H new ATOM 547 N ARG A 39 -0.316 7.590 18.223 1.00 0.00 N ATOM 548 CA ARG A 39 0.136 7.204 19.556 1.00 0.00 C ATOM 549 C ARG A 39 1.649 7.001 19.601 1.00 0.00 C ATOM 550 O ARG A 39 2.144 6.136 20.325 1.00 0.00 O ATOM 551 CB ARG A 39 -0.574 5.923 20.002 1.00 0.00 C ATOM 552 CG ARG A 39 -0.571 5.719 21.509 1.00 0.00 C ATOM 553 CD ARG A 39 -0.404 4.252 21.872 1.00 0.00 C ATOM 554 NE ARG A 39 -1.088 3.916 23.118 1.00 0.00 N ATOM 555 CZ ARG A 39 -1.305 2.669 23.532 1.00 0.00 C ATOM 556 NH1 ARG A 39 -0.892 1.639 22.803 1.00 0.00 N ATOM 557 NH2 ARG A 39 -1.935 2.451 24.678 1.00 0.00 N ATOM 0 H ARG A 39 -0.045 6.946 17.480 1.00 0.00 H new ATOM 0 HA ARG A 39 -0.114 8.016 20.238 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -1.605 5.947 19.649 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -0.094 5.067 19.527 1.00 0.00 H new ATOM 0 HG2 ARG A 39 0.237 6.299 21.954 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -1.503 6.095 21.930 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -0.795 3.632 21.065 1.00 0.00 H new ATOM 0 HD3 ARG A 39 0.657 4.020 21.967 1.00 0.00 H new ATOM 0 HE ARG A 39 -1.419 4.681 23.706 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -0.406 1.801 21.921 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -1.061 0.686 23.125 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -2.254 3.238 25.243 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -2.101 1.496 24.995 1.00 0.00 H new ATOM 571 N PHE A 40 2.382 7.802 18.834 1.00 0.00 N ATOM 572 CA PHE A 40 3.838 7.703 18.807 1.00 0.00 C ATOM 573 C PHE A 40 4.479 9.091 18.814 1.00 0.00 C ATOM 574 O PHE A 40 4.727 9.660 19.878 1.00 0.00 O ATOM 575 CB PHE A 40 4.302 6.905 17.584 1.00 0.00 C ATOM 576 CG PHE A 40 4.573 5.456 17.877 1.00 0.00 C ATOM 577 CD1 PHE A 40 3.555 4.619 18.307 1.00 0.00 C ATOM 578 CD2 PHE A 40 5.846 4.931 17.720 1.00 0.00 C ATOM 579 CE1 PHE A 40 3.803 3.286 18.576 1.00 0.00 C ATOM 580 CE2 PHE A 40 6.100 3.600 17.987 1.00 0.00 C ATOM 581 CZ PHE A 40 5.078 2.776 18.415 1.00 0.00 C ATOM 0 H PHE A 40 1.995 8.523 18.226 1.00 0.00 H new ATOM 0 HA PHE A 40 4.157 7.176 19.706 1.00 0.00 H new ATOM 0 HB2 PHE A 40 3.541 6.973 16.806 1.00 0.00 H new ATOM 0 HB3 PHE A 40 5.208 7.362 17.185 1.00 0.00 H new ATOM 0 HD1 PHE A 40 2.557 5.013 18.433 1.00 0.00 H new ATOM 0 HD2 PHE A 40 6.649 5.571 17.385 1.00 0.00 H new ATOM 0 HE1 PHE A 40 3.002 2.644 18.911 1.00 0.00 H new ATOM 0 HE2 PHE A 40 7.097 3.204 17.861 1.00 0.00 H new ATOM 0 HZ PHE A 40 5.274 1.735 18.624 1.00 0.00 H new ATOM 591 N THR A 41 4.743 9.637 17.625 1.00 0.00 N ATOM 592 CA THR A 41 5.352 10.960 17.498 1.00 0.00 C ATOM 593 C THR A 41 6.502 11.144 18.486 1.00 0.00 C ATOM 594 O THR A 41 6.396 11.911 19.444 1.00 0.00 O ATOM 595 CB THR A 41 4.299 12.048 17.709 1.00 0.00 C ATOM 596 OG1 THR A 41 3.512 11.769 18.852 1.00 0.00 O ATOM 597 CG2 THR A 41 3.362 12.202 16.532 1.00 0.00 C ATOM 0 H THR A 41 4.543 9.181 16.735 1.00 0.00 H new ATOM 0 HA THR A 41 5.759 11.044 16.490 1.00 0.00 H new ATOM 0 HB THR A 41 4.858 12.975 17.834 1.00 0.00 H new ATOM 0 HG1 THR A 41 4.049 11.276 19.507 1.00 0.00 H new ATOM 0 HG21 THR A 41 2.638 12.989 16.744 1.00 0.00 H new ATOM 0 HG22 THR A 41 3.935 12.465 15.643 1.00 0.00 H new ATOM 0 HG23 THR A 41 2.836 11.263 16.360 1.00 0.00 H new ATOM 605 N LYS A 42 7.601 10.436 18.247 1.00 0.00 N ATOM 606 CA LYS A 42 8.769 10.519 19.116 1.00 0.00 C ATOM 607 C LYS A 42 9.979 11.043 18.349 1.00 0.00 C ATOM 608 O LYS A 42 11.107 10.602 18.572 1.00 0.00 O ATOM 609 CB LYS A 42 9.085 9.147 19.716 1.00 0.00 C ATOM 610 CG LYS A 42 8.044 8.668 20.714 1.00 0.00 C ATOM 611 CD LYS A 42 7.722 7.195 20.521 1.00 0.00 C ATOM 612 CE LYS A 42 6.308 6.869 20.972 1.00 0.00 C ATOM 613 NZ LYS A 42 6.259 6.458 22.401 1.00 0.00 N ATOM 0 H LYS A 42 7.707 9.798 17.458 1.00 0.00 H new ATOM 0 HA LYS A 42 8.542 11.216 19.923 1.00 0.00 H new ATOM 0 HB2 LYS A 42 9.168 8.417 18.911 1.00 0.00 H new ATOM 0 HB3 LYS A 42 10.056 9.190 20.208 1.00 0.00 H new ATOM 0 HG2 LYS A 42 8.409 8.832 21.728 1.00 0.00 H new ATOM 0 HG3 LYS A 42 7.134 9.258 20.603 1.00 0.00 H new ATOM 0 HD2 LYS A 42 7.840 6.931 19.470 1.00 0.00 H new ATOM 0 HD3 LYS A 42 8.433 6.590 21.083 1.00 0.00 H new ATOM 0 HE2 LYS A 42 5.670 7.740 20.823 1.00 0.00 H new ATOM 0 HE3 LYS A 42 5.905 6.069 20.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 5.277 6.245 22.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 6.847 5.611 22.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 6.619 7.230 22.997 1.00 0.00 H new ATOM 627 N GLY A 43 9.738 11.989 17.447 1.00 0.00 N ATOM 628 CA GLY A 43 10.817 12.557 16.661 1.00 0.00 C ATOM 629 C GLY A 43 10.324 13.207 15.383 1.00 0.00 C ATOM 630 O GLY A 43 9.135 13.492 15.242 1.00 0.00 O ATOM 0 H GLY A 43 8.814 12.372 17.247 1.00 0.00 H new ATOM 0 HA2 GLY A 43 11.348 13.297 17.260 1.00 0.00 H new ATOM 0 HA3 GLY A 43 11.533 11.774 16.414 1.00 0.00 H new ATOM 634 N GLN A 44 11.240 13.442 14.450 1.00 0.00 N ATOM 635 CA GLN A 44 10.893 14.063 13.177 1.00 0.00 C ATOM 636 C GLN A 44 10.732 13.010 12.084 1.00 0.00 C ATOM 637 O GLN A 44 11.019 13.267 10.915 1.00 0.00 O ATOM 638 CB GLN A 44 11.964 15.076 12.770 1.00 0.00 C ATOM 639 CG GLN A 44 11.806 16.431 13.441 1.00 0.00 C ATOM 640 CD GLN A 44 13.006 16.807 14.290 1.00 0.00 C ATOM 641 OE1 GLN A 44 13.585 17.881 14.125 1.00 0.00 O ATOM 642 NE2 GLN A 44 13.384 15.921 15.204 1.00 0.00 N ATOM 0 H GLN A 44 12.229 13.212 14.551 1.00 0.00 H new ATOM 0 HA GLN A 44 9.942 14.581 13.302 1.00 0.00 H new ATOM 0 HB2 GLN A 44 12.946 14.671 13.014 1.00 0.00 H new ATOM 0 HB3 GLN A 44 11.934 15.210 11.689 1.00 0.00 H new ATOM 0 HG2 GLN A 44 11.652 17.194 12.678 1.00 0.00 H new ATOM 0 HG3 GLN A 44 10.913 16.421 14.066 1.00 0.00 H new ATOM 0 HE21 GLN A 44 12.874 15.043 15.305 1.00 0.00 H new ATOM 0 HE22 GLN A 44 14.184 16.118 15.805 1.00 0.00 H new ATOM 651 N GLN A 45 10.270 11.826 12.473 1.00 0.00 N ATOM 652 CA GLN A 45 10.071 10.736 11.525 1.00 0.00 C ATOM 653 C GLN A 45 9.209 9.634 12.135 1.00 0.00 C ATOM 654 O GLN A 45 9.567 8.456 12.093 1.00 0.00 O ATOM 655 CB GLN A 45 11.421 10.165 11.084 1.00 0.00 C ATOM 656 CG GLN A 45 11.475 9.804 9.608 1.00 0.00 C ATOM 657 CD GLN A 45 12.685 10.392 8.907 1.00 0.00 C ATOM 658 OE1 GLN A 45 12.687 11.561 8.522 1.00 0.00 O ATOM 659 NE2 GLN A 45 13.723 9.581 8.736 1.00 0.00 N ATOM 0 H GLN A 45 10.027 11.597 13.437 1.00 0.00 H new ATOM 0 HA GLN A 45 9.552 11.134 10.653 1.00 0.00 H new ATOM 0 HB2 GLN A 45 12.203 10.893 11.300 1.00 0.00 H new ATOM 0 HB3 GLN A 45 11.641 9.276 11.675 1.00 0.00 H new ATOM 0 HG2 GLN A 45 11.491 8.719 9.504 1.00 0.00 H new ATOM 0 HG3 GLN A 45 10.568 10.158 9.118 1.00 0.00 H new ATOM 0 HE21 GLN A 45 13.679 8.619 9.071 1.00 0.00 H new ATOM 0 HE22 GLN A 45 14.564 9.921 8.270 1.00 0.00 H new ATOM 668 N ARG A 46 8.072 10.023 12.700 1.00 0.00 N ATOM 669 CA ARG A 46 7.156 9.070 13.317 1.00 0.00 C ATOM 670 C ARG A 46 6.748 7.981 12.329 1.00 0.00 C ATOM 671 O ARG A 46 6.423 6.862 12.723 1.00 0.00 O ATOM 672 CB ARG A 46 5.911 9.796 13.833 1.00 0.00 C ATOM 673 CG ARG A 46 5.235 10.659 12.779 1.00 0.00 C ATOM 674 CD ARG A 46 4.849 12.020 13.334 1.00 0.00 C ATOM 675 NE ARG A 46 5.997 12.920 13.426 1.00 0.00 N ATOM 676 CZ ARG A 46 6.597 13.465 12.370 1.00 0.00 C ATOM 677 NH1 ARG A 46 6.164 13.204 11.143 1.00 0.00 N ATOM 678 NH2 ARG A 46 7.635 14.271 12.542 1.00 0.00 N ATOM 0 H ARG A 46 7.762 10.994 12.744 1.00 0.00 H new ATOM 0 HA ARG A 46 7.672 8.598 14.153 1.00 0.00 H new ATOM 0 HB2 ARG A 46 5.197 9.060 14.202 1.00 0.00 H new ATOM 0 HB3 ARG A 46 6.190 10.422 14.681 1.00 0.00 H new ATOM 0 HG2 ARG A 46 5.905 10.789 11.929 1.00 0.00 H new ATOM 0 HG3 ARG A 46 4.345 10.151 12.408 1.00 0.00 H new ATOM 0 HD2 ARG A 46 4.087 12.469 12.697 1.00 0.00 H new ATOM 0 HD3 ARG A 46 4.406 11.896 14.322 1.00 0.00 H new ATOM 0 HE ARG A 46 6.359 13.143 14.353 1.00 0.00 H new ATOM 0 HH11 ARG A 46 5.367 12.583 11.005 1.00 0.00 H new ATOM 0 HH12 ARG A 46 6.628 13.625 10.338 1.00 0.00 H new ATOM 0 HH21 ARG A 46 7.973 14.473 13.483 1.00 0.00 H new ATOM 0 HH22 ARG A 46 8.095 14.689 11.734 1.00 0.00 H new ATOM 692 N PHE A 47 6.760 8.321 11.043 1.00 0.00 N ATOM 693 CA PHE A 47 6.387 7.377 9.994 1.00 0.00 C ATOM 694 C PHE A 47 7.301 6.157 9.996 1.00 0.00 C ATOM 695 O PHE A 47 6.835 5.018 9.946 1.00 0.00 O ATOM 696 CB PHE A 47 6.443 8.060 8.627 1.00 0.00 C ATOM 697 CG PHE A 47 5.757 9.396 8.592 1.00 0.00 C ATOM 698 CD1 PHE A 47 4.376 9.479 8.540 1.00 0.00 C ATOM 699 CD2 PHE A 47 6.496 10.568 8.610 1.00 0.00 C ATOM 700 CE1 PHE A 47 3.743 10.709 8.508 1.00 0.00 C ATOM 701 CE2 PHE A 47 5.870 11.799 8.578 1.00 0.00 C ATOM 702 CZ PHE A 47 4.491 11.869 8.527 1.00 0.00 C ATOM 0 H PHE A 47 7.025 9.245 10.702 1.00 0.00 H new ATOM 0 HA PHE A 47 5.369 7.042 10.193 1.00 0.00 H new ATOM 0 HB2 PHE A 47 7.486 8.189 8.337 1.00 0.00 H new ATOM 0 HB3 PHE A 47 5.985 7.406 7.885 1.00 0.00 H new ATOM 0 HD1 PHE A 47 3.787 8.574 8.524 1.00 0.00 H new ATOM 0 HD2 PHE A 47 7.574 10.518 8.650 1.00 0.00 H new ATOM 0 HE1 PHE A 47 2.665 10.761 8.468 1.00 0.00 H new ATOM 0 HE2 PHE A 47 6.457 12.705 8.593 1.00 0.00 H new ATOM 0 HZ PHE A 47 3.999 12.830 8.502 1.00 0.00 H new ATOM 712 N GLN A 48 8.606 6.398 10.046 1.00 0.00 N ATOM 713 CA GLN A 48 9.579 5.313 10.046 1.00 0.00 C ATOM 714 C GLN A 48 9.540 4.546 11.363 1.00 0.00 C ATOM 715 O GLN A 48 9.475 3.316 11.375 1.00 0.00 O ATOM 716 CB GLN A 48 10.986 5.861 9.800 1.00 0.00 C ATOM 717 CG GLN A 48 11.891 4.899 9.046 1.00 0.00 C ATOM 718 CD GLN A 48 13.070 4.433 9.879 1.00 0.00 C ATOM 719 OE1 GLN A 48 13.054 4.525 11.106 1.00 0.00 O ATOM 720 NE2 GLN A 48 14.102 3.930 9.212 1.00 0.00 N ATOM 0 H GLN A 48 9.013 7.332 10.087 1.00 0.00 H new ATOM 0 HA GLN A 48 9.320 4.626 9.240 1.00 0.00 H new ATOM 0 HB2 GLN A 48 10.911 6.792 9.238 1.00 0.00 H new ATOM 0 HB3 GLN A 48 11.445 6.103 10.758 1.00 0.00 H new ATOM 0 HG2 GLN A 48 11.310 4.033 8.729 1.00 0.00 H new ATOM 0 HG3 GLN A 48 12.259 5.385 8.142 1.00 0.00 H new ATOM 0 HE21 GLN A 48 14.072 3.873 8.194 1.00 0.00 H new ATOM 0 HE22 GLN A 48 14.924 3.601 9.718 1.00 0.00 H new ATOM 729 N GLN A 49 9.578 5.277 12.473 1.00 0.00 N ATOM 730 CA GLN A 49 9.546 4.660 13.794 1.00 0.00 C ATOM 731 C GLN A 49 8.293 3.806 13.959 1.00 0.00 C ATOM 732 O GLN A 49 8.371 2.639 14.350 1.00 0.00 O ATOM 733 CB GLN A 49 9.595 5.732 14.884 1.00 0.00 C ATOM 734 CG GLN A 49 10.458 5.350 16.075 1.00 0.00 C ATOM 735 CD GLN A 49 11.435 6.442 16.465 1.00 0.00 C ATOM 736 OE1 GLN A 49 11.095 7.355 17.218 1.00 0.00 O ATOM 737 NE2 GLN A 49 12.656 6.355 15.953 1.00 0.00 N ATOM 0 H GLN A 49 9.631 6.296 12.484 1.00 0.00 H new ATOM 0 HA GLN A 49 10.421 4.017 13.891 1.00 0.00 H new ATOM 0 HB2 GLN A 49 9.974 6.659 14.454 1.00 0.00 H new ATOM 0 HB3 GLN A 49 8.581 5.933 15.230 1.00 0.00 H new ATOM 0 HG2 GLN A 49 9.816 5.122 16.926 1.00 0.00 H new ATOM 0 HG3 GLN A 49 11.011 4.440 15.841 1.00 0.00 H new ATOM 0 HE21 GLN A 49 12.895 5.581 15.333 1.00 0.00 H new ATOM 0 HE22 GLN A 49 13.356 7.062 16.179 1.00 0.00 H new ATOM 746 N ILE A 50 7.140 4.387 13.648 1.00 0.00 N ATOM 747 CA ILE A 50 5.880 3.667 13.755 1.00 0.00 C ATOM 748 C ILE A 50 5.900 2.426 12.870 1.00 0.00 C ATOM 749 O ILE A 50 5.379 1.375 13.242 1.00 0.00 O ATOM 750 CB ILE A 50 4.674 4.565 13.385 1.00 0.00 C ATOM 751 CG1 ILE A 50 3.382 3.988 13.966 1.00 0.00 C ATOM 752 CG2 ILE A 50 4.552 4.742 11.877 1.00 0.00 C ATOM 753 CD1 ILE A 50 2.973 2.668 13.350 1.00 0.00 C ATOM 0 H ILE A 50 7.053 5.349 13.322 1.00 0.00 H new ATOM 0 HA ILE A 50 5.763 3.363 14.795 1.00 0.00 H new ATOM 0 HB ILE A 50 4.845 5.550 13.820 1.00 0.00 H new ATOM 0 HG12 ILE A 50 3.506 3.854 15.041 1.00 0.00 H new ATOM 0 HG13 ILE A 50 2.577 4.709 13.825 1.00 0.00 H new ATOM 0 HG21 ILE A 50 3.695 5.378 11.653 1.00 0.00 H new ATOM 0 HG22 ILE A 50 5.459 5.207 11.491 1.00 0.00 H new ATOM 0 HG23 ILE A 50 4.414 3.769 11.406 1.00 0.00 H new ATOM 0 HD11 ILE A 50 2.049 2.322 13.812 1.00 0.00 H new ATOM 0 HD12 ILE A 50 2.816 2.799 12.279 1.00 0.00 H new ATOM 0 HD13 ILE A 50 3.759 1.931 13.514 1.00 0.00 H new ATOM 765 N TYR A 51 6.518 2.556 11.700 1.00 0.00 N ATOM 766 CA TYR A 51 6.620 1.443 10.763 1.00 0.00 C ATOM 767 C TYR A 51 7.285 0.245 11.425 1.00 0.00 C ATOM 768 O TYR A 51 6.829 -0.889 11.286 1.00 0.00 O ATOM 769 CB TYR A 51 7.407 1.854 9.517 1.00 0.00 C ATOM 770 CG TYR A 51 7.320 0.847 8.394 1.00 0.00 C ATOM 771 CD1 TYR A 51 7.941 -0.392 8.494 1.00 0.00 C ATOM 772 CD2 TYR A 51 6.615 1.135 7.232 1.00 0.00 C ATOM 773 CE1 TYR A 51 7.861 -1.315 7.469 1.00 0.00 C ATOM 774 CE2 TYR A 51 6.531 0.217 6.202 1.00 0.00 C ATOM 775 CZ TYR A 51 7.155 -1.006 6.324 1.00 0.00 C ATOM 776 OH TYR A 51 7.075 -1.922 5.302 1.00 0.00 O ATOM 0 H TYR A 51 6.955 3.420 11.379 1.00 0.00 H new ATOM 0 HA TYR A 51 5.611 1.163 10.462 1.00 0.00 H new ATOM 0 HB2 TYR A 51 7.036 2.816 9.163 1.00 0.00 H new ATOM 0 HB3 TYR A 51 8.453 1.996 9.788 1.00 0.00 H new ATOM 0 HD1 TYR A 51 8.495 -0.638 9.388 1.00 0.00 H new ATOM 0 HD2 TYR A 51 6.124 2.092 7.132 1.00 0.00 H new ATOM 0 HE1 TYR A 51 8.349 -2.274 7.563 1.00 0.00 H new ATOM 0 HE2 TYR A 51 5.979 0.457 5.305 1.00 0.00 H new ATOM 0 HH TYR A 51 6.361 -1.661 4.684 1.00 0.00 H new ATOM 786 N TYR A 52 8.362 0.511 12.152 1.00 0.00 N ATOM 787 CA TYR A 52 9.090 -0.542 12.847 1.00 0.00 C ATOM 788 C TYR A 52 8.243 -1.128 13.971 1.00 0.00 C ATOM 789 O TYR A 52 8.352 -2.312 14.289 1.00 0.00 O ATOM 790 CB TYR A 52 10.403 0.004 13.413 1.00 0.00 C ATOM 791 CG TYR A 52 11.560 -0.072 12.440 1.00 0.00 C ATOM 792 CD1 TYR A 52 11.692 0.857 11.416 1.00 0.00 C ATOM 793 CD2 TYR A 52 12.520 -1.068 12.550 1.00 0.00 C ATOM 794 CE1 TYR A 52 12.746 0.793 10.526 1.00 0.00 C ATOM 795 CE2 TYR A 52 13.579 -1.139 11.665 1.00 0.00 C ATOM 796 CZ TYR A 52 13.687 -0.207 10.656 1.00 0.00 C ATOM 797 OH TYR A 52 14.740 -0.274 9.772 1.00 0.00 O ATOM 0 H TYR A 52 8.751 1.446 12.276 1.00 0.00 H new ATOM 0 HA TYR A 52 9.315 -1.332 12.131 1.00 0.00 H new ATOM 0 HB2 TYR A 52 10.257 1.042 13.710 1.00 0.00 H new ATOM 0 HB3 TYR A 52 10.660 -0.553 14.314 1.00 0.00 H new ATOM 0 HD1 TYR A 52 10.958 1.643 11.314 1.00 0.00 H new ATOM 0 HD2 TYR A 52 12.438 -1.800 13.340 1.00 0.00 H new ATOM 0 HE1 TYR A 52 12.833 1.521 9.733 1.00 0.00 H new ATOM 0 HE2 TYR A 52 14.318 -1.921 11.764 1.00 0.00 H new ATOM 0 HH TYR A 52 15.313 -1.035 10.002 1.00 0.00 H new ATOM 807 N ALA A 53 7.402 -0.290 14.570 1.00 0.00 N ATOM 808 CA ALA A 53 6.540 -0.728 15.662 1.00 0.00 C ATOM 809 C ALA A 53 5.493 -1.727 15.178 1.00 0.00 C ATOM 810 O ALA A 53 5.353 -2.813 15.739 1.00 0.00 O ATOM 811 CB ALA A 53 5.865 0.470 16.313 1.00 0.00 C ATOM 0 H ALA A 53 7.299 0.693 14.318 1.00 0.00 H new ATOM 0 HA ALA A 53 7.164 -1.230 16.401 1.00 0.00 H new ATOM 0 HB1 ALA A 53 5.224 0.129 17.126 1.00 0.00 H new ATOM 0 HB2 ALA A 53 6.624 1.145 16.708 1.00 0.00 H new ATOM 0 HB3 ALA A 53 5.262 0.995 15.572 1.00 0.00 H new ATOM 817 N TYR A 54 4.764 -1.356 14.132 1.00 0.00 N ATOM 818 CA TYR A 54 3.732 -2.226 13.574 1.00 0.00 C ATOM 819 C TYR A 54 4.340 -3.323 12.693 1.00 0.00 C ATOM 820 O TYR A 54 3.621 -4.158 12.144 1.00 0.00 O ATOM 821 CB TYR A 54 2.691 -1.400 12.798 1.00 0.00 C ATOM 822 CG TYR A 54 2.967 -1.243 11.315 1.00 0.00 C ATOM 823 CD1 TYR A 54 2.658 -2.257 10.418 1.00 0.00 C ATOM 824 CD2 TYR A 54 3.522 -0.073 10.814 1.00 0.00 C ATOM 825 CE1 TYR A 54 2.898 -2.112 9.065 1.00 0.00 C ATOM 826 CE2 TYR A 54 3.763 0.080 9.461 1.00 0.00 C ATOM 827 CZ TYR A 54 3.449 -0.943 8.591 1.00 0.00 C ATOM 828 OH TYR A 54 3.687 -0.795 7.241 1.00 0.00 O ATOM 0 H TYR A 54 4.867 -0.461 13.653 1.00 0.00 H new ATOM 0 HA TYR A 54 3.225 -2.721 14.402 1.00 0.00 H new ATOM 0 HB2 TYR A 54 1.714 -1.867 12.922 1.00 0.00 H new ATOM 0 HB3 TYR A 54 2.629 -0.409 13.247 1.00 0.00 H new ATOM 0 HD1 TYR A 54 2.223 -3.175 10.784 1.00 0.00 H new ATOM 0 HD2 TYR A 54 3.769 0.730 11.492 1.00 0.00 H new ATOM 0 HE1 TYR A 54 2.654 -2.913 8.382 1.00 0.00 H new ATOM 0 HE2 TYR A 54 4.195 0.996 9.087 1.00 0.00 H new ATOM 0 HH TYR A 54 4.599 -0.463 7.104 1.00 0.00 H new ATOM 838 N ARG A 55 5.667 -3.319 12.566 1.00 0.00 N ATOM 839 CA ARG A 55 6.367 -4.312 11.758 1.00 0.00 C ATOM 840 C ARG A 55 5.988 -5.735 12.170 1.00 0.00 C ATOM 841 O ARG A 55 6.127 -6.673 11.384 1.00 0.00 O ATOM 842 CB ARG A 55 7.880 -4.116 11.890 1.00 0.00 C ATOM 843 CG ARG A 55 8.704 -5.176 11.179 1.00 0.00 C ATOM 844 CD ARG A 55 10.177 -5.075 11.544 1.00 0.00 C ATOM 845 NE ARG A 55 10.845 -6.374 11.495 1.00 0.00 N ATOM 846 CZ ARG A 55 12.058 -6.603 11.994 1.00 0.00 C ATOM 847 NH1 ARG A 55 12.737 -5.626 12.582 1.00 0.00 N ATOM 848 NH2 ARG A 55 12.593 -7.813 11.906 1.00 0.00 N ATOM 0 H ARG A 55 6.278 -2.636 13.014 1.00 0.00 H new ATOM 0 HA ARG A 55 6.069 -4.173 10.719 1.00 0.00 H new ATOM 0 HB2 ARG A 55 8.145 -3.137 11.492 1.00 0.00 H new ATOM 0 HB3 ARG A 55 8.145 -4.113 12.947 1.00 0.00 H new ATOM 0 HG2 ARG A 55 8.330 -6.166 11.442 1.00 0.00 H new ATOM 0 HG3 ARG A 55 8.587 -5.067 10.101 1.00 0.00 H new ATOM 0 HD2 ARG A 55 10.673 -4.386 10.860 1.00 0.00 H new ATOM 0 HD3 ARG A 55 10.274 -4.655 12.545 1.00 0.00 H new ATOM 0 HE ARG A 55 10.353 -7.150 11.053 1.00 0.00 H new ATOM 0 HH11 ARG A 55 12.330 -4.693 12.654 1.00 0.00 H new ATOM 0 HH12 ARG A 55 13.666 -5.808 12.962 1.00 0.00 H new ATOM 0 HH21 ARG A 55 12.075 -8.568 11.456 1.00 0.00 H new ATOM 0 HH22 ARG A 55 13.522 -7.989 12.288 1.00 0.00 H new ATOM 862 N SER A 56 5.521 -5.894 13.404 1.00 0.00 N ATOM 863 CA SER A 56 5.136 -7.205 13.912 1.00 0.00 C ATOM 864 C SER A 56 3.845 -7.698 13.262 1.00 0.00 C ATOM 865 O SER A 56 3.696 -8.890 12.986 1.00 0.00 O ATOM 866 CB SER A 56 4.967 -7.156 15.431 1.00 0.00 C ATOM 867 OG SER A 56 5.445 -8.345 16.036 1.00 0.00 O ATOM 0 H SER A 56 5.400 -5.131 14.070 1.00 0.00 H new ATOM 0 HA SER A 56 5.932 -7.905 13.660 1.00 0.00 H new ATOM 0 HB2 SER A 56 5.506 -6.298 15.832 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.915 -7.016 15.679 1.00 0.00 H new ATOM 0 HG SER A 56 5.327 -8.288 17.007 1.00 0.00 H new ATOM 873 N VAL A 57 2.911 -6.781 13.028 1.00 0.00 N ATOM 874 CA VAL A 57 1.631 -7.133 12.421 1.00 0.00 C ATOM 875 C VAL A 57 1.742 -7.263 10.901 1.00 0.00 C ATOM 876 O VAL A 57 0.882 -7.870 10.261 1.00 0.00 O ATOM 877 CB VAL A 57 0.542 -6.095 12.764 1.00 0.00 C ATOM 878 CG1 VAL A 57 0.898 -4.730 12.199 1.00 0.00 C ATOM 879 CG2 VAL A 57 -0.816 -6.553 12.252 1.00 0.00 C ATOM 0 H VAL A 57 3.016 -5.791 13.249 1.00 0.00 H new ATOM 0 HA VAL A 57 1.347 -8.100 12.836 1.00 0.00 H new ATOM 0 HB VAL A 57 0.486 -6.007 13.849 1.00 0.00 H new ATOM 0 HG11 VAL A 57 0.115 -4.015 12.454 1.00 0.00 H new ATOM 0 HG12 VAL A 57 1.846 -4.397 12.622 1.00 0.00 H new ATOM 0 HG13 VAL A 57 0.989 -4.797 11.115 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.570 -5.807 12.504 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.774 -6.676 11.170 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -1.078 -7.504 12.715 1.00 0.00 H new ATOM 889 N TRP A 58 2.795 -6.687 10.326 1.00 0.00 N ATOM 890 CA TRP A 58 2.997 -6.743 8.881 1.00 0.00 C ATOM 891 C TRP A 58 4.416 -7.190 8.535 1.00 0.00 C ATOM 892 O TRP A 58 5.137 -7.716 9.383 1.00 0.00 O ATOM 893 CB TRP A 58 2.712 -5.375 8.258 1.00 0.00 C ATOM 894 CG TRP A 58 1.992 -5.458 6.945 1.00 0.00 C ATOM 895 CD1 TRP A 58 2.445 -5.021 5.734 1.00 0.00 C ATOM 896 CD2 TRP A 58 0.693 -6.013 6.714 1.00 0.00 C ATOM 897 NE1 TRP A 58 1.507 -5.269 4.762 1.00 0.00 N ATOM 898 CE2 TRP A 58 0.423 -5.878 5.339 1.00 0.00 C ATOM 899 CE3 TRP A 58 -0.267 -6.611 7.534 1.00 0.00 C ATOM 900 CZ2 TRP A 58 -0.769 -6.320 4.767 1.00 0.00 C ATOM 901 CZ3 TRP A 58 -1.449 -7.050 6.967 1.00 0.00 C ATOM 902 CH2 TRP A 58 -1.690 -6.902 5.595 1.00 0.00 C ATOM 0 H TRP A 58 3.518 -6.179 10.836 1.00 0.00 H new ATOM 0 HA TRP A 58 2.303 -7.478 8.472 1.00 0.00 H new ATOM 0 HB2 TRP A 58 2.117 -4.784 8.954 1.00 0.00 H new ATOM 0 HB3 TRP A 58 3.654 -4.846 8.115 1.00 0.00 H new ATOM 0 HD1 TRP A 58 3.402 -4.549 5.565 1.00 0.00 H new ATOM 0 HE1 TRP A 58 1.601 -5.038 3.773 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -0.089 -6.728 8.593 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -0.959 -6.207 3.710 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -2.198 -7.514 7.591 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -2.623 -7.255 5.182 1.00 0.00 H new ATOM 913 N HIS A 59 4.808 -6.979 7.281 1.00 0.00 N ATOM 914 CA HIS A 59 6.138 -7.359 6.813 1.00 0.00 C ATOM 915 C HIS A 59 7.226 -6.642 7.610 1.00 0.00 C ATOM 916 O HIS A 59 6.966 -5.633 8.266 1.00 0.00 O ATOM 917 CB HIS A 59 6.282 -7.032 5.325 1.00 0.00 C ATOM 918 CG HIS A 59 5.637 -8.038 4.424 1.00 0.00 C ATOM 919 ND1 HIS A 59 4.278 -8.081 4.194 1.00 0.00 N ATOM 920 CD2 HIS A 59 6.172 -9.046 3.692 1.00 0.00 C ATOM 921 CE1 HIS A 59 4.004 -9.071 3.361 1.00 0.00 C ATOM 922 NE2 HIS A 59 5.137 -9.670 3.042 1.00 0.00 N ATOM 0 H HIS A 59 4.221 -6.545 6.568 1.00 0.00 H new ATOM 0 HA HIS A 59 6.257 -8.432 6.961 1.00 0.00 H new ATOM 0 HB2 HIS A 59 5.845 -6.052 5.133 1.00 0.00 H new ATOM 0 HB3 HIS A 59 7.341 -6.962 5.078 1.00 0.00 H new ATOM 0 HD2 HIS A 59 7.218 -9.309 3.632 1.00 0.00 H new ATOM 0 HE1 HIS A 59 3.022 -9.343 3.003 1.00 0.00 H new ATOM 0 HE2 HIS A 59 5.228 -10.468 2.413 1.00 0.00 H new ATOM 931 N PRO A 60 8.469 -7.159 7.563 1.00 0.00 N ATOM 932 CA PRO A 60 9.602 -6.566 8.282 1.00 0.00 C ATOM 933 C PRO A 60 9.791 -5.088 7.950 1.00 0.00 C ATOM 934 O PRO A 60 9.007 -4.502 7.203 1.00 0.00 O ATOM 935 CB PRO A 60 10.813 -7.383 7.806 1.00 0.00 C ATOM 936 CG PRO A 60 10.340 -8.134 6.607 1.00 0.00 C ATOM 937 CD PRO A 60 8.871 -8.354 6.810 1.00 0.00 C ATOM 0 HA PRO A 60 9.454 -6.600 9.361 1.00 0.00 H new ATOM 0 HB2 PRO A 60 11.652 -6.733 7.556 1.00 0.00 H new ATOM 0 HB3 PRO A 60 11.158 -8.063 8.585 1.00 0.00 H new ATOM 0 HG2 PRO A 60 10.527 -7.569 5.694 1.00 0.00 H new ATOM 0 HG3 PRO A 60 10.867 -9.083 6.508 1.00 0.00 H new ATOM 0 HD2 PRO A 60 8.338 -8.434 5.862 1.00 0.00 H new ATOM 0 HD3 PRO A 60 8.671 -9.270 7.366 1.00 0.00 H new ATOM 945 N ALA A 61 10.835 -4.489 8.518 1.00 0.00 N ATOM 946 CA ALA A 61 11.127 -3.079 8.290 1.00 0.00 C ATOM 947 C ALA A 61 12.096 -2.894 7.127 1.00 0.00 C ATOM 948 O ALA A 61 13.273 -3.239 7.226 1.00 0.00 O ATOM 949 CB ALA A 61 11.690 -2.447 9.553 1.00 0.00 C ATOM 0 H ALA A 61 11.492 -4.960 9.140 1.00 0.00 H new ATOM 0 HA ALA A 61 10.193 -2.580 8.030 1.00 0.00 H new ATOM 0 HB1 ALA A 61 11.904 -1.394 9.369 1.00 0.00 H new ATOM 0 HB2 ALA A 61 10.962 -2.534 10.359 1.00 0.00 H new ATOM 0 HB3 ALA A 61 12.609 -2.959 9.838 1.00 0.00 H new ATOM 955 N ARG A 62 11.593 -2.343 6.026 1.00 0.00 N ATOM 956 CA ARG A 62 12.412 -2.107 4.841 1.00 0.00 C ATOM 957 C ARG A 62 11.556 -1.592 3.685 1.00 0.00 C ATOM 958 O ARG A 62 11.730 -2.004 2.538 1.00 0.00 O ATOM 959 CB ARG A 62 13.141 -3.392 4.430 1.00 0.00 C ATOM 960 CG ARG A 62 14.647 -3.324 4.620 1.00 0.00 C ATOM 961 CD ARG A 62 15.310 -2.517 3.517 1.00 0.00 C ATOM 962 NE ARG A 62 16.754 -2.406 3.710 1.00 0.00 N ATOM 963 CZ ARG A 62 17.517 -1.503 3.099 1.00 0.00 C ATOM 964 NH1 ARG A 62 16.978 -0.630 2.258 1.00 0.00 N ATOM 965 NH2 ARG A 62 18.822 -1.473 3.331 1.00 0.00 N ATOM 0 H ARG A 62 10.620 -2.051 5.930 1.00 0.00 H new ATOM 0 HA ARG A 62 13.154 -1.346 5.085 1.00 0.00 H new ATOM 0 HB2 ARG A 62 12.747 -4.225 5.012 1.00 0.00 H new ATOM 0 HB3 ARG A 62 12.924 -3.604 3.383 1.00 0.00 H new ATOM 0 HG2 ARG A 62 14.873 -2.875 5.587 1.00 0.00 H new ATOM 0 HG3 ARG A 62 15.059 -4.333 4.633 1.00 0.00 H new ATOM 0 HD2 ARG A 62 15.108 -2.986 2.554 1.00 0.00 H new ATOM 0 HD3 ARG A 62 14.871 -1.520 3.484 1.00 0.00 H new ATOM 0 HE ARG A 62 17.204 -3.059 4.351 1.00 0.00 H new ATOM 0 HH11 ARG A 62 15.974 -0.649 2.077 1.00 0.00 H new ATOM 0 HH12 ARG A 62 17.567 0.060 1.792 1.00 0.00 H new ATOM 0 HH21 ARG A 62 19.241 -2.142 3.977 1.00 0.00 H new ATOM 0 HH22 ARG A 62 19.407 -0.781 2.863 1.00 0.00 H new ATOM 979 N THR A 63 10.630 -0.690 3.995 1.00 0.00 N ATOM 980 CA THR A 63 9.748 -0.124 2.979 1.00 0.00 C ATOM 981 C THR A 63 9.134 1.191 3.450 1.00 0.00 C ATOM 982 O THR A 63 7.928 1.406 3.323 1.00 0.00 O ATOM 983 CB THR A 63 8.643 -1.123 2.621 1.00 0.00 C ATOM 984 OG1 THR A 63 8.932 -2.406 3.149 1.00 0.00 O ATOM 985 CG2 THR A 63 8.440 -1.277 1.130 1.00 0.00 C ATOM 0 H THR A 63 10.471 -0.336 4.938 1.00 0.00 H new ATOM 0 HA THR A 63 10.346 0.081 2.091 1.00 0.00 H new ATOM 0 HB THR A 63 7.732 -0.714 3.058 1.00 0.00 H new ATOM 0 HG1 THR A 63 8.394 -2.557 3.954 1.00 0.00 H new ATOM 0 HG21 THR A 63 7.644 -1.998 0.944 1.00 0.00 H new ATOM 0 HG22 THR A 63 8.166 -0.314 0.699 1.00 0.00 H new ATOM 0 HG23 THR A 63 9.364 -1.630 0.672 1.00 0.00 H new ATOM 993 N VAL A 64 9.971 2.078 3.985 1.00 0.00 N ATOM 994 CA VAL A 64 9.496 3.374 4.457 1.00 0.00 C ATOM 995 C VAL A 64 8.785 4.120 3.334 1.00 0.00 C ATOM 996 O VAL A 64 7.807 4.832 3.566 1.00 0.00 O ATOM 997 CB VAL A 64 10.650 4.239 5.006 1.00 0.00 C ATOM 998 CG1 VAL A 64 10.160 5.632 5.375 1.00 0.00 C ATOM 999 CG2 VAL A 64 11.290 3.561 6.207 1.00 0.00 C ATOM 0 H VAL A 64 10.973 1.924 4.101 1.00 0.00 H new ATOM 0 HA VAL A 64 8.795 3.187 5.271 1.00 0.00 H new ATOM 0 HB VAL A 64 11.401 4.345 4.223 1.00 0.00 H new ATOM 0 HG11 VAL A 64 10.993 6.221 5.759 1.00 0.00 H new ATOM 0 HG12 VAL A 64 9.749 6.119 4.491 1.00 0.00 H new ATOM 0 HG13 VAL A 64 9.387 5.555 6.140 1.00 0.00 H new ATOM 0 HG21 VAL A 64 12.103 4.181 6.585 1.00 0.00 H new ATOM 0 HG22 VAL A 64 10.543 3.426 6.989 1.00 0.00 H new ATOM 0 HG23 VAL A 64 11.684 2.589 5.909 1.00 0.00 H new ATOM 1009 N SER A 65 9.267 3.932 2.109 1.00 0.00 N ATOM 1010 CA SER A 65 8.658 4.569 0.951 1.00 0.00 C ATOM 1011 C SER A 65 7.197 4.154 0.857 1.00 0.00 C ATOM 1012 O SER A 65 6.309 4.981 0.629 1.00 0.00 O ATOM 1013 CB SER A 65 9.402 4.183 -0.329 1.00 0.00 C ATOM 1014 OG SER A 65 9.382 2.780 -0.527 1.00 0.00 O ATOM 0 H SER A 65 10.074 3.346 1.895 1.00 0.00 H new ATOM 0 HA SER A 65 8.720 5.651 1.066 1.00 0.00 H new ATOM 0 HB2 SER A 65 8.944 4.681 -1.184 1.00 0.00 H new ATOM 0 HB3 SER A 65 10.433 4.531 -0.273 1.00 0.00 H new ATOM 0 HG SER A 65 9.862 2.559 -1.352 1.00 0.00 H new ATOM 1020 N GLN A 66 6.954 2.865 1.062 1.00 0.00 N ATOM 1021 CA GLN A 66 5.601 2.335 1.031 1.00 0.00 C ATOM 1022 C GLN A 66 4.765 2.998 2.117 1.00 0.00 C ATOM 1023 O GLN A 66 3.579 3.268 1.926 1.00 0.00 O ATOM 1024 CB GLN A 66 5.616 0.815 1.225 1.00 0.00 C ATOM 1025 CG GLN A 66 4.766 0.065 0.213 1.00 0.00 C ATOM 1026 CD GLN A 66 4.558 -1.388 0.590 1.00 0.00 C ATOM 1027 OE1 GLN A 66 5.062 -2.293 -0.241 1.00 0.00 O flip ATOM 1028 NE2 GLN A 66 3.951 -1.694 1.616 1.00 0.00 N flip ATOM 0 H GLN A 66 7.677 2.170 1.251 1.00 0.00 H new ATOM 0 HA GLN A 66 5.159 2.552 0.059 1.00 0.00 H new ATOM 0 HB2 GLN A 66 6.644 0.459 1.159 1.00 0.00 H new ATOM 0 HB3 GLN A 66 5.262 0.582 2.229 1.00 0.00 H new ATOM 0 HG2 GLN A 66 3.797 0.556 0.123 1.00 0.00 H new ATOM 0 HG3 GLN A 66 5.242 0.118 -0.766 1.00 0.00 H new ATOM 0 HE21 GLN A 66 3.580 -0.965 2.226 1.00 0.00 H new ATOM 0 HE22 GLN A 66 3.819 -2.676 1.856 1.00 0.00 H new ATOM 1037 N LEU A 67 5.404 3.272 3.252 1.00 0.00 N ATOM 1038 CA LEU A 67 4.733 3.922 4.372 1.00 0.00 C ATOM 1039 C LEU A 67 4.117 5.232 3.920 1.00 0.00 C ATOM 1040 O LEU A 67 2.938 5.492 4.150 1.00 0.00 O ATOM 1041 CB LEU A 67 5.722 4.178 5.510 1.00 0.00 C ATOM 1042 CG LEU A 67 5.088 4.537 6.856 1.00 0.00 C ATOM 1043 CD1 LEU A 67 4.397 5.888 6.776 1.00 0.00 C ATOM 1044 CD2 LEU A 67 4.106 3.459 7.287 1.00 0.00 C ATOM 0 H LEU A 67 6.386 3.053 3.419 1.00 0.00 H new ATOM 0 HA LEU A 67 3.944 3.263 4.734 1.00 0.00 H new ATOM 0 HB2 LEU A 67 6.337 3.288 5.642 1.00 0.00 H new ATOM 0 HB3 LEU A 67 6.390 4.987 5.214 1.00 0.00 H new ATOM 0 HG LEU A 67 5.879 4.600 7.603 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.952 6.127 7.742 1.00 0.00 H new ATOM 0 HD12 LEU A 67 5.126 6.654 6.513 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.617 5.853 6.016 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.665 3.731 8.246 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.319 3.364 6.539 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.630 2.508 7.385 1.00 0.00 H new ATOM 1056 N TYR A 68 4.923 6.045 3.260 1.00 0.00 N ATOM 1057 CA TYR A 68 4.458 7.322 2.753 1.00 0.00 C ATOM 1058 C TYR A 68 3.364 7.098 1.718 1.00 0.00 C ATOM 1059 O TYR A 68 2.476 7.930 1.546 1.00 0.00 O ATOM 1060 CB TYR A 68 5.617 8.112 2.144 1.00 0.00 C ATOM 1061 CG TYR A 68 6.530 8.750 3.172 1.00 0.00 C ATOM 1062 CD1 TYR A 68 6.657 8.218 4.453 1.00 0.00 C ATOM 1063 CD2 TYR A 68 7.267 9.885 2.859 1.00 0.00 C ATOM 1064 CE1 TYR A 68 7.490 8.802 5.388 1.00 0.00 C ATOM 1065 CE2 TYR A 68 8.104 10.472 3.789 1.00 0.00 C ATOM 1066 CZ TYR A 68 8.211 9.927 5.050 1.00 0.00 C ATOM 1067 OH TYR A 68 9.044 10.511 5.979 1.00 0.00 O ATOM 0 H TYR A 68 5.903 5.843 3.063 1.00 0.00 H new ATOM 0 HA TYR A 68 4.049 7.902 3.580 1.00 0.00 H new ATOM 0 HB2 TYR A 68 6.206 7.447 1.512 1.00 0.00 H new ATOM 0 HB3 TYR A 68 5.213 8.891 1.497 1.00 0.00 H new ATOM 0 HD1 TYR A 68 6.095 7.335 4.720 1.00 0.00 H new ATOM 0 HD2 TYR A 68 7.185 10.316 1.872 1.00 0.00 H new ATOM 0 HE1 TYR A 68 7.576 8.379 6.378 1.00 0.00 H new ATOM 0 HE2 TYR A 68 8.671 11.353 3.529 1.00 0.00 H new ATOM 0 HH TYR A 68 8.545 10.681 6.805 1.00 0.00 H new ATOM 1077 N ASP A 69 3.436 5.957 1.034 1.00 0.00 N ATOM 1078 CA ASP A 69 2.450 5.616 0.017 1.00 0.00 C ATOM 1079 C ASP A 69 1.074 5.396 0.633 1.00 0.00 C ATOM 1080 O ASP A 69 0.083 5.960 0.167 1.00 0.00 O ATOM 1081 CB ASP A 69 2.889 4.368 -0.754 1.00 0.00 C ATOM 1082 CG ASP A 69 3.371 4.695 -2.155 1.00 0.00 C ATOM 1083 OD1 ASP A 69 2.524 5.021 -3.013 1.00 0.00 O ATOM 1084 OD2 ASP A 69 4.595 4.623 -2.392 1.00 0.00 O ATOM 0 H ASP A 69 4.166 5.257 1.167 1.00 0.00 H new ATOM 0 HA ASP A 69 2.380 6.455 -0.675 1.00 0.00 H new ATOM 0 HB2 ASP A 69 3.687 3.867 -0.206 1.00 0.00 H new ATOM 0 HB3 ASP A 69 2.055 3.669 -0.813 1.00 0.00 H new ATOM 1089 N HIS A 70 1.011 4.588 1.685 1.00 0.00 N ATOM 1090 CA HIS A 70 -0.266 4.331 2.348 1.00 0.00 C ATOM 1091 C HIS A 70 -0.676 5.544 3.165 1.00 0.00 C ATOM 1092 O HIS A 70 -1.858 5.882 3.256 1.00 0.00 O ATOM 1093 CB HIS A 70 -0.223 3.088 3.253 1.00 0.00 C ATOM 1094 CG HIS A 70 1.023 2.268 3.148 1.00 0.00 C ATOM 1095 ND1 HIS A 70 1.957 2.202 4.156 1.00 0.00 N ATOM 1096 CD2 HIS A 70 1.481 1.466 2.157 1.00 0.00 C ATOM 1097 CE1 HIS A 70 2.936 1.395 3.794 1.00 0.00 C ATOM 1098 NE2 HIS A 70 2.673 0.934 2.586 1.00 0.00 N ATOM 0 H HIS A 70 1.812 4.106 2.093 1.00 0.00 H new ATOM 0 HA HIS A 70 -1.000 4.138 1.566 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -0.343 3.407 4.288 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -1.077 2.454 3.014 1.00 0.00 H new ATOM 0 HD1 HIS A 70 1.901 2.699 5.045 1.00 0.00 H new ATOM 0 HD2 HIS A 70 1.000 1.280 1.208 1.00 0.00 H new ATOM 0 HE1 HIS A 70 3.806 1.153 4.386 1.00 0.00 H new ATOM 1107 N TRP A 71 0.313 6.200 3.755 1.00 0.00 N ATOM 1108 CA TRP A 71 0.069 7.381 4.563 1.00 0.00 C ATOM 1109 C TRP A 71 -0.342 8.560 3.685 1.00 0.00 C ATOM 1110 O TRP A 71 -1.084 9.440 4.122 1.00 0.00 O ATOM 1111 CB TRP A 71 1.312 7.728 5.380 1.00 0.00 C ATOM 1112 CG TRP A 71 0.990 8.330 6.715 1.00 0.00 C ATOM 1113 CD1 TRP A 71 1.006 7.700 7.925 1.00 0.00 C ATOM 1114 CD2 TRP A 71 0.595 9.684 6.971 1.00 0.00 C ATOM 1115 NE1 TRP A 71 0.649 8.578 8.919 1.00 0.00 N ATOM 1116 CE2 TRP A 71 0.392 9.802 8.359 1.00 0.00 C ATOM 1117 CE3 TRP A 71 0.397 10.807 6.163 1.00 0.00 C ATOM 1118 CZ2 TRP A 71 0.000 10.998 8.955 1.00 0.00 C ATOM 1119 CZ3 TRP A 71 0.008 11.994 6.757 1.00 0.00 C ATOM 1120 CH2 TRP A 71 -0.188 12.081 8.140 1.00 0.00 C ATOM 0 H TRP A 71 1.295 5.931 3.687 1.00 0.00 H new ATOM 0 HA TRP A 71 -0.750 7.167 5.249 1.00 0.00 H new ATOM 0 HB2 TRP A 71 1.905 6.826 5.529 1.00 0.00 H new ATOM 0 HB3 TRP A 71 1.929 8.425 4.813 1.00 0.00 H new ATOM 0 HD1 TRP A 71 1.262 6.662 8.079 1.00 0.00 H new ATOM 0 HE1 TRP A 71 0.586 8.355 9.912 1.00 0.00 H new ATOM 0 HE3 TRP A 71 0.545 10.749 5.095 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -0.150 11.068 10.022 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -0.147 12.869 6.143 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -0.494 13.022 8.573 1.00 0.00 H new ATOM 1131 N ARG A 72 0.129 8.568 2.438 1.00 0.00 N ATOM 1132 CA ARG A 72 -0.216 9.640 1.510 1.00 0.00 C ATOM 1133 C ARG A 72 -1.643 9.462 1.010 1.00 0.00 C ATOM 1134 O ARG A 72 -2.400 10.426 0.900 1.00 0.00 O ATOM 1135 CB ARG A 72 0.754 9.665 0.325 1.00 0.00 C ATOM 1136 CG ARG A 72 2.016 10.468 0.593 1.00 0.00 C ATOM 1137 CD ARG A 72 3.045 10.274 -0.510 1.00 0.00 C ATOM 1138 NE ARG A 72 2.547 10.722 -1.807 1.00 0.00 N ATOM 1139 CZ ARG A 72 3.330 11.018 -2.841 1.00 0.00 C ATOM 1140 NH1 ARG A 72 4.650 10.913 -2.736 1.00 0.00 N ATOM 1141 NH2 ARG A 72 2.794 11.419 -3.985 1.00 0.00 N ATOM 0 H ARG A 72 0.744 7.852 2.052 1.00 0.00 H new ATOM 0 HA ARG A 72 -0.139 10.589 2.040 1.00 0.00 H new ATOM 0 HB2 ARG A 72 1.031 8.642 0.070 1.00 0.00 H new ATOM 0 HB3 ARG A 72 0.244 10.083 -0.543 1.00 0.00 H new ATOM 0 HG2 ARG A 72 1.765 11.525 0.676 1.00 0.00 H new ATOM 0 HG3 ARG A 72 2.444 10.166 1.549 1.00 0.00 H new ATOM 0 HD2 ARG A 72 3.952 10.824 -0.260 1.00 0.00 H new ATOM 0 HD3 ARG A 72 3.317 9.220 -0.570 1.00 0.00 H new ATOM 0 HE ARG A 72 1.538 10.814 -1.928 1.00 0.00 H new ATOM 0 HH11 ARG A 72 5.069 10.604 -1.859 1.00 0.00 H new ATOM 0 HH12 ARG A 72 5.245 11.141 -3.533 1.00 0.00 H new ATOM 0 HH21 ARG A 72 1.781 11.501 -4.073 1.00 0.00 H new ATOM 0 HH22 ARG A 72 3.394 11.646 -4.778 1.00 0.00 H new ATOM 1155 N GLY A 73 -2.003 8.218 0.719 1.00 0.00 N ATOM 1156 CA GLY A 73 -3.341 7.926 0.245 1.00 0.00 C ATOM 1157 C GLY A 73 -4.392 8.232 1.292 1.00 0.00 C ATOM 1158 O GLY A 73 -5.482 8.706 0.969 1.00 0.00 O ATOM 0 H GLY A 73 -1.391 7.406 0.803 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -3.543 8.510 -0.653 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -3.405 6.875 -0.037 1.00 0.00 H new ATOM 1162 N THR A 74 -4.062 7.965 2.552 1.00 0.00 N ATOM 1163 CA THR A 74 -4.984 8.218 3.652 1.00 0.00 C ATOM 1164 C THR A 74 -5.082 9.713 3.939 1.00 0.00 C ATOM 1165 O THR A 74 -6.148 10.222 4.282 1.00 0.00 O ATOM 1166 CB THR A 74 -4.530 7.475 4.910 1.00 0.00 C ATOM 1167 OG1 THR A 74 -3.120 7.519 5.037 1.00 0.00 O ATOM 1168 CG2 THR A 74 -4.949 6.021 4.929 1.00 0.00 C ATOM 0 H THR A 74 -3.164 7.574 2.836 1.00 0.00 H new ATOM 0 HA THR A 74 -5.969 7.853 3.361 1.00 0.00 H new ATOM 0 HB THR A 74 -5.016 7.987 5.740 1.00 0.00 H new ATOM 0 HG1 THR A 74 -2.720 6.816 4.484 1.00 0.00 H new ATOM 0 HG21 THR A 74 -4.596 5.552 5.848 1.00 0.00 H new ATOM 0 HG22 THR A 74 -6.036 5.955 4.883 1.00 0.00 H new ATOM 0 HG23 THR A 74 -4.518 5.507 4.070 1.00 0.00 H new ATOM 1176 N LEU A 75 -3.961 10.412 3.792 1.00 0.00 N ATOM 1177 CA LEU A 75 -3.918 11.850 4.032 1.00 0.00 C ATOM 1178 C LEU A 75 -2.547 12.422 3.687 1.00 0.00 C ATOM 1179 O LEU A 75 -1.712 12.631 4.567 1.00 0.00 O ATOM 1180 CB LEU A 75 -4.257 12.155 5.492 1.00 0.00 C ATOM 1181 CG LEU A 75 -4.614 13.614 5.782 1.00 0.00 C ATOM 1182 CD1 LEU A 75 -6.119 13.822 5.700 1.00 0.00 C ATOM 1183 CD2 LEU A 75 -4.090 14.030 7.150 1.00 0.00 C ATOM 0 H LEU A 75 -3.070 10.006 3.508 1.00 0.00 H new ATOM 0 HA LEU A 75 -4.660 12.321 3.387 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -5.094 11.525 5.794 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -3.406 11.875 6.113 1.00 0.00 H new ATOM 0 HG LEU A 75 -4.139 14.241 5.027 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -6.354 14.866 5.909 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -6.468 13.565 4.700 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -6.615 13.185 6.432 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -4.353 15.071 7.339 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -4.535 13.398 7.918 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -3.006 13.920 7.173 1.00 0.00 H new ATOM 1195 N ARG A 76 -2.320 12.672 2.401 1.00 0.00 N ATOM 1196 CA ARG A 76 -1.048 13.220 1.942 1.00 0.00 C ATOM 1197 C ARG A 76 -0.952 14.709 2.258 1.00 0.00 C ATOM 1198 O ARG A 76 -1.718 15.517 1.732 1.00 0.00 O ATOM 1199 CB ARG A 76 -0.883 12.995 0.437 1.00 0.00 C ATOM 1200 CG ARG A 76 -1.959 13.663 -0.403 1.00 0.00 C ATOM 1201 CD ARG A 76 -1.924 13.174 -1.842 1.00 0.00 C ATOM 1202 NE ARG A 76 -3.253 13.160 -2.447 1.00 0.00 N ATOM 1203 CZ ARG A 76 -3.859 14.242 -2.930 1.00 0.00 C ATOM 1204 NH1 ARG A 76 -3.261 15.426 -2.879 1.00 0.00 N ATOM 1205 NH2 ARG A 76 -5.069 14.141 -3.466 1.00 0.00 N ATOM 0 H ARG A 76 -2.999 12.504 1.659 1.00 0.00 H new ATOM 0 HA ARG A 76 -0.247 12.702 2.469 1.00 0.00 H new ATOM 0 HB2 ARG A 76 0.092 13.371 0.127 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -0.891 11.924 0.236 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.939 13.458 0.029 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -1.821 14.744 -0.381 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -1.266 13.816 -2.427 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -1.501 12.170 -1.874 1.00 0.00 H new ATOM 0 HE ARG A 76 -3.746 12.269 -2.503 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -2.331 15.511 -2.468 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -3.731 16.251 -3.251 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -5.534 13.234 -3.508 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -5.534 14.970 -3.836 1.00 0.00 H new ATOM 1219 N TYR A 77 -0.005 15.064 3.121 1.00 0.00 N ATOM 1220 CA TYR A 77 0.193 16.456 3.507 1.00 0.00 C ATOM 1221 C TYR A 77 0.928 17.224 2.413 1.00 0.00 C ATOM 1222 O TYR A 77 2.015 16.835 1.991 1.00 0.00 O ATOM 1223 CB TYR A 77 0.976 16.537 4.817 1.00 0.00 C ATOM 1224 CG TYR A 77 2.320 15.848 4.763 1.00 0.00 C ATOM 1225 CD1 TYR A 77 3.454 16.525 4.328 1.00 0.00 C ATOM 1226 CD2 TYR A 77 2.458 14.518 5.146 1.00 0.00 C ATOM 1227 CE1 TYR A 77 4.684 15.897 4.277 1.00 0.00 C ATOM 1228 CE2 TYR A 77 3.685 13.885 5.097 1.00 0.00 C ATOM 1229 CZ TYR A 77 4.794 14.579 4.662 1.00 0.00 C ATOM 1230 OH TYR A 77 6.017 13.950 4.613 1.00 0.00 O ATOM 0 H TYR A 77 0.636 14.407 3.566 1.00 0.00 H new ATOM 0 HA TYR A 77 -0.787 16.911 3.649 1.00 0.00 H new ATOM 0 HB2 TYR A 77 1.125 17.585 5.077 1.00 0.00 H new ATOM 0 HB3 TYR A 77 0.381 16.092 5.614 1.00 0.00 H new ATOM 0 HD1 TYR A 77 3.372 17.558 4.025 1.00 0.00 H new ATOM 0 HD2 TYR A 77 1.592 13.971 5.487 1.00 0.00 H new ATOM 0 HE1 TYR A 77 5.555 16.437 3.937 1.00 0.00 H new ATOM 0 HE2 TYR A 77 3.775 12.852 5.398 1.00 0.00 H new ATOM 0 HH TYR A 77 5.921 13.024 4.919 1.00 0.00 H new ATOM 1240 N LYS A 78 0.323 18.318 1.958 1.00 0.00 N ATOM 1241 CA LYS A 78 0.919 19.141 0.914 1.00 0.00 C ATOM 1242 C LYS A 78 0.624 20.619 1.152 1.00 0.00 C ATOM 1243 O LYS A 78 1.537 21.445 1.202 1.00 0.00 O ATOM 1244 CB LYS A 78 0.393 18.719 -0.461 1.00 0.00 C ATOM 1245 CG LYS A 78 1.470 18.658 -1.532 1.00 0.00 C ATOM 1246 CD LYS A 78 1.967 20.047 -1.901 1.00 0.00 C ATOM 1247 CE LYS A 78 3.456 20.042 -2.210 1.00 0.00 C ATOM 1248 NZ LYS A 78 3.783 20.909 -3.376 1.00 0.00 N ATOM 0 H LYS A 78 -0.579 18.653 2.297 1.00 0.00 H new ATOM 0 HA LYS A 78 1.999 18.995 0.943 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -0.079 17.740 -0.376 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -0.381 19.419 -0.775 1.00 0.00 H new ATOM 0 HG2 LYS A 78 2.305 18.054 -1.176 1.00 0.00 H new ATOM 0 HG3 LYS A 78 1.075 18.164 -2.420 1.00 0.00 H new ATOM 0 HD2 LYS A 78 1.416 20.414 -2.767 1.00 0.00 H new ATOM 0 HD3 LYS A 78 1.767 20.736 -1.081 1.00 0.00 H new ATOM 0 HE2 LYS A 78 4.010 20.385 -1.336 1.00 0.00 H new ATOM 0 HE3 LYS A 78 3.781 19.022 -2.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 4.807 20.879 -3.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 3.275 20.567 -4.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 3.496 21.888 -3.172 1.00 0.00 H new ATOM 1262 N VAL A 79 -0.657 20.946 1.300 1.00 0.00 N ATOM 1263 CA VAL A 79 -1.072 22.322 1.534 1.00 0.00 C ATOM 1264 C VAL A 79 -2.456 22.374 2.180 1.00 0.00 C ATOM 1265 O VAL A 79 -3.332 23.118 1.738 1.00 0.00 O ATOM 1266 CB VAL A 79 -1.087 23.133 0.223 1.00 0.00 C ATOM 1267 CG1 VAL A 79 -2.091 22.549 -0.762 1.00 0.00 C ATOM 1268 CG2 VAL A 79 -1.389 24.600 0.502 1.00 0.00 C ATOM 0 H VAL A 79 -1.424 20.275 1.262 1.00 0.00 H new ATOM 0 HA VAL A 79 -0.344 22.766 2.213 1.00 0.00 H new ATOM 0 HB VAL A 79 -0.097 23.071 -0.229 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -2.085 23.137 -1.680 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -1.820 21.518 -0.990 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -3.088 22.573 -0.323 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -1.395 25.155 -0.436 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -2.364 24.686 0.981 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -0.624 25.010 1.161 1.00 0.00 H new ATOM 1278 N ILE A 80 -2.640 21.581 3.229 1.00 0.00 N ATOM 1279 CA ILE A 80 -3.914 21.536 3.936 1.00 0.00 C ATOM 1280 C ILE A 80 -3.707 21.232 5.419 1.00 0.00 C ATOM 1281 O ILE A 80 -4.426 20.425 6.008 1.00 0.00 O ATOM 1282 CB ILE A 80 -4.862 20.485 3.319 1.00 0.00 C ATOM 1283 CG1 ILE A 80 -6.289 20.682 3.836 1.00 0.00 C ATOM 1284 CG2 ILE A 80 -4.373 19.073 3.612 1.00 0.00 C ATOM 1285 CD1 ILE A 80 -6.837 22.070 3.587 1.00 0.00 C ATOM 0 H ILE A 80 -1.924 20.961 3.608 1.00 0.00 H new ATOM 0 HA ILE A 80 -4.372 22.520 3.836 1.00 0.00 H new ATOM 0 HB ILE A 80 -4.865 20.622 2.238 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -6.943 19.951 3.360 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -6.310 20.479 4.907 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -5.058 18.351 3.167 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -3.378 18.938 3.189 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -4.333 18.918 4.690 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -7.852 22.136 3.980 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -6.206 22.805 4.086 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -6.849 22.270 2.516 1.00 0.00 H new ATOM 1297 N GLN A 81 -2.715 21.885 6.017 1.00 0.00 N ATOM 1298 CA GLN A 81 -2.409 21.686 7.429 1.00 0.00 C ATOM 1299 C GLN A 81 -1.521 22.809 7.956 1.00 0.00 C ATOM 1300 O GLN A 81 -0.407 23.011 7.472 1.00 0.00 O ATOM 1301 CB GLN A 81 -1.726 20.333 7.637 1.00 0.00 C ATOM 1302 CG GLN A 81 -2.328 19.515 8.768 1.00 0.00 C ATOM 1303 CD GLN A 81 -3.471 18.633 8.307 1.00 0.00 C ATOM 1304 OE1 GLN A 81 -4.607 19.090 8.175 1.00 0.00 O ATOM 1305 NE2 GLN A 81 -3.177 17.363 8.057 1.00 0.00 N ATOM 0 H GLN A 81 -2.109 22.557 5.545 1.00 0.00 H new ATOM 0 HA GLN A 81 -3.346 21.700 7.986 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -1.787 19.759 6.712 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -0.668 20.497 7.842 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -1.552 18.893 9.214 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -2.685 20.188 9.548 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -2.222 17.027 8.180 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -3.906 16.723 7.742 1.00 0.00 H new ATOM 1314 N GLN A 82 -2.021 23.535 8.950 1.00 0.00 N ATOM 1315 CA GLN A 82 -1.273 24.638 9.542 1.00 0.00 C ATOM 1316 C GLN A 82 -0.454 24.161 10.738 1.00 0.00 C ATOM 1317 O GLN A 82 -0.952 24.113 11.864 1.00 0.00 O ATOM 1318 CB GLN A 82 -2.227 25.755 9.975 1.00 0.00 C ATOM 1319 CG GLN A 82 -1.597 27.137 9.943 1.00 0.00 C ATOM 1320 CD GLN A 82 -1.272 27.597 8.536 1.00 0.00 C ATOM 1321 OE1 GLN A 82 -0.072 27.270 8.070 1.00 0.00 O flip ATOM 1322 NE2 GLN A 82 -2.089 28.237 7.875 1.00 0.00 N flip ATOM 0 H GLN A 82 -2.941 23.380 9.363 1.00 0.00 H new ATOM 0 HA GLN A 82 -0.589 25.026 8.788 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -3.101 25.748 9.324 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -2.580 25.549 10.985 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -2.276 27.852 10.408 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -0.684 27.130 10.539 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -3.000 28.466 8.273 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -1.856 28.538 6.929 1.00 0.00 H new ATOM 1331 N GLN A 83 0.802 23.811 10.488 1.00 0.00 N ATOM 1332 CA GLN A 83 1.690 23.338 11.544 1.00 0.00 C ATOM 1333 C GLN A 83 2.860 24.300 11.740 1.00 0.00 C ATOM 1334 O GLN A 83 2.888 25.383 11.158 1.00 0.00 O ATOM 1335 CB GLN A 83 2.210 21.937 11.213 1.00 0.00 C ATOM 1336 CG GLN A 83 2.052 20.946 12.354 1.00 0.00 C ATOM 1337 CD GLN A 83 3.379 20.550 12.971 1.00 0.00 C ATOM 1338 OE1 GLN A 83 4.307 21.354 13.045 1.00 0.00 O ATOM 1339 NE2 GLN A 83 3.475 19.303 13.419 1.00 0.00 N ATOM 0 H GLN A 83 1.229 23.846 9.562 1.00 0.00 H new ATOM 0 HA GLN A 83 1.121 23.294 12.473 1.00 0.00 H new ATOM 0 HB2 GLN A 83 1.681 21.559 10.338 1.00 0.00 H new ATOM 0 HB3 GLN A 83 3.264 22.004 10.944 1.00 0.00 H new ATOM 0 HG2 GLN A 83 1.414 21.382 13.123 1.00 0.00 H new ATOM 0 HG3 GLN A 83 1.545 20.053 11.987 1.00 0.00 H new ATOM 0 HE21 GLN A 83 2.680 18.669 13.337 1.00 0.00 H new ATOM 0 HE22 GLN A 83 4.344 18.979 13.845 1.00 0.00 H new ATOM 1348 N GLY A 84 3.821 23.893 12.560 1.00 0.00 N ATOM 1349 CA GLY A 84 4.979 24.729 12.818 1.00 0.00 C ATOM 1350 C GLY A 84 5.663 24.388 14.126 1.00 0.00 C ATOM 1351 O GLY A 84 6.329 23.357 14.236 1.00 0.00 O ATOM 0 H GLY A 84 3.820 22.999 13.051 1.00 0.00 H new ATOM 0 HA2 GLY A 84 5.691 24.619 12.000 1.00 0.00 H new ATOM 0 HA3 GLY A 84 4.671 25.775 12.835 1.00 0.00 H new ATOM 1355 N TYR A 85 5.502 25.253 15.121 1.00 0.00 N ATOM 1356 CA TYR A 85 6.109 25.037 16.428 1.00 0.00 C ATOM 1357 C TYR A 85 5.320 24.008 17.231 1.00 0.00 C ATOM 1358 O TYR A 85 4.309 23.484 16.763 1.00 0.00 O ATOM 1359 CB TYR A 85 6.186 26.355 17.204 1.00 0.00 C ATOM 1360 CG TYR A 85 7.383 27.203 16.836 1.00 0.00 C ATOM 1361 CD1 TYR A 85 8.656 26.654 16.781 1.00 0.00 C ATOM 1362 CD2 TYR A 85 7.237 28.554 16.545 1.00 0.00 C ATOM 1363 CE1 TYR A 85 9.752 27.426 16.445 1.00 0.00 C ATOM 1364 CE2 TYR A 85 8.327 29.334 16.208 1.00 0.00 C ATOM 1365 CZ TYR A 85 9.584 28.764 16.159 1.00 0.00 C ATOM 1366 OH TYR A 85 10.671 29.535 15.824 1.00 0.00 O ATOM 0 H TYR A 85 4.956 26.111 15.047 1.00 0.00 H new ATOM 0 HA TYR A 85 7.118 24.655 16.272 1.00 0.00 H new ATOM 0 HB2 TYR A 85 5.276 26.927 17.024 1.00 0.00 H new ATOM 0 HB3 TYR A 85 6.219 26.137 18.272 1.00 0.00 H new ATOM 0 HD1 TYR A 85 8.793 25.606 17.004 1.00 0.00 H new ATOM 0 HD2 TYR A 85 6.255 29.002 16.583 1.00 0.00 H new ATOM 0 HE1 TYR A 85 10.736 26.983 16.407 1.00 0.00 H new ATOM 0 HE2 TYR A 85 8.197 30.383 15.984 1.00 0.00 H new ATOM 0 HH TYR A 85 10.379 30.455 15.652 1.00 0.00 H new ATOM 1376 N ARG A 86 5.789 23.721 18.441 1.00 0.00 N ATOM 1377 CA ARG A 86 5.127 22.753 19.308 1.00 0.00 C ATOM 1378 C ARG A 86 5.462 23.016 20.772 1.00 0.00 C ATOM 1379 O ARG A 86 6.503 22.585 21.268 1.00 0.00 O ATOM 1380 CB ARG A 86 5.539 21.330 18.926 1.00 0.00 C ATOM 1381 CG ARG A 86 4.489 20.282 19.263 1.00 0.00 C ATOM 1382 CD ARG A 86 4.174 19.401 18.064 1.00 0.00 C ATOM 1383 NE ARG A 86 3.508 18.161 18.456 1.00 0.00 N ATOM 1384 CZ ARG A 86 3.363 17.111 17.651 1.00 0.00 C ATOM 1385 NH1 ARG A 86 3.835 17.147 16.411 1.00 0.00 N ATOM 1386 NH2 ARG A 86 2.744 16.022 18.087 1.00 0.00 N ATOM 0 H ARG A 86 6.625 24.145 18.843 1.00 0.00 H new ATOM 0 HA ARG A 86 4.050 22.860 19.176 1.00 0.00 H new ATOM 0 HB2 ARG A 86 5.745 21.295 17.856 1.00 0.00 H new ATOM 0 HB3 ARG A 86 6.468 21.080 19.438 1.00 0.00 H new ATOM 0 HG2 ARG A 86 4.843 19.663 20.087 1.00 0.00 H new ATOM 0 HG3 ARG A 86 3.578 20.775 19.603 1.00 0.00 H new ATOM 0 HD2 ARG A 86 3.539 19.949 17.368 1.00 0.00 H new ATOM 0 HD3 ARG A 86 5.097 19.165 17.535 1.00 0.00 H new ATOM 0 HE ARG A 86 3.132 18.096 19.402 1.00 0.00 H new ATOM 0 HH11 ARG A 86 4.312 17.982 16.071 1.00 0.00 H new ATOM 0 HH12 ARG A 86 3.721 16.339 15.798 1.00 0.00 H new ATOM 0 HH21 ARG A 86 2.379 15.989 19.039 1.00 0.00 H new ATOM 0 HH22 ARG A 86 2.633 15.217 17.470 1.00 0.00 H new ATOM 1400 N GLY A 87 4.573 23.725 21.459 1.00 0.00 N ATOM 1401 CA GLY A 87 4.794 24.032 22.860 1.00 0.00 C ATOM 1402 C GLY A 87 3.699 24.903 23.445 1.00 0.00 C ATOM 1403 O GLY A 87 3.967 25.788 24.257 1.00 0.00 O ATOM 0 H GLY A 87 3.704 24.092 21.071 1.00 0.00 H new ATOM 0 HA2 GLY A 87 4.856 23.103 23.427 1.00 0.00 H new ATOM 0 HA3 GLY A 87 5.753 24.537 22.971 1.00 0.00 H new ATOM 1407 N LYS A 88 2.462 24.651 23.031 1.00 0.00 N ATOM 1408 CA LYS A 88 1.322 25.419 23.520 1.00 0.00 C ATOM 1409 C LYS A 88 0.146 24.502 23.842 1.00 0.00 C ATOM 1410 O LYS A 88 -1.013 24.891 23.701 1.00 0.00 O ATOM 1411 CB LYS A 88 0.902 26.465 22.485 1.00 0.00 C ATOM 1412 CG LYS A 88 1.987 27.481 22.174 1.00 0.00 C ATOM 1413 CD LYS A 88 1.394 28.822 21.769 1.00 0.00 C ATOM 1414 CE LYS A 88 1.369 29.795 22.936 1.00 0.00 C ATOM 1415 NZ LYS A 88 1.643 31.192 22.499 1.00 0.00 N ATOM 0 H LYS A 88 2.223 23.922 22.359 1.00 0.00 H new ATOM 0 HA LYS A 88 1.624 25.927 24.436 1.00 0.00 H new ATOM 0 HB2 LYS A 88 0.616 25.958 21.564 1.00 0.00 H new ATOM 0 HB3 LYS A 88 0.018 26.989 22.848 1.00 0.00 H new ATOM 0 HG2 LYS A 88 2.625 27.613 23.048 1.00 0.00 H new ATOM 0 HG3 LYS A 88 2.620 27.104 21.371 1.00 0.00 H new ATOM 0 HD2 LYS A 88 1.977 29.247 20.952 1.00 0.00 H new ATOM 0 HD3 LYS A 88 0.381 28.675 21.395 1.00 0.00 H new ATOM 0 HE2 LYS A 88 0.395 29.752 23.424 1.00 0.00 H new ATOM 0 HE3 LYS A 88 2.111 29.494 23.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 1.617 31.825 23.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 2.583 31.239 22.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 0.921 31.489 21.812 1.00 0.00 H new ATOM 1429 N ASN A 89 0.455 23.284 24.274 1.00 0.00 N ATOM 1430 CA ASN A 89 -0.575 22.310 24.616 1.00 0.00 C ATOM 1431 C ASN A 89 -0.398 21.816 26.049 1.00 0.00 C ATOM 1432 O ASN A 89 -0.715 20.668 26.364 1.00 0.00 O ATOM 1433 CB ASN A 89 -0.532 21.128 23.646 1.00 0.00 C ATOM 1434 CG ASN A 89 -1.917 20.679 23.221 1.00 0.00 C ATOM 1435 OD1 ASN A 89 -2.923 21.120 23.777 1.00 0.00 O ATOM 1436 ND2 ASN A 89 -1.974 19.797 22.229 1.00 0.00 N ATOM 0 H ASN A 89 1.410 22.948 24.396 1.00 0.00 H new ATOM 0 HA ASN A 89 -1.546 22.799 24.536 1.00 0.00 H new ATOM 0 HB2 ASN A 89 0.044 21.406 22.763 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -0.011 20.294 24.116 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -2.878 19.458 21.899 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -1.114 19.459 21.797 1.00 0.00 H new ATOM 1443 N SER A 90 0.110 22.689 26.912 1.00 0.00 N ATOM 1444 CA SER A 90 0.329 22.343 28.311 1.00 0.00 C ATOM 1445 C SER A 90 -0.898 22.677 29.153 1.00 0.00 C ATOM 1446 O SER A 90 -1.767 23.436 28.728 1.00 0.00 O ATOM 1447 CB SER A 90 1.553 23.083 28.856 1.00 0.00 C ATOM 1448 OG SER A 90 1.813 22.717 30.200 1.00 0.00 O ATOM 0 H SER A 90 0.378 23.642 26.667 1.00 0.00 H new ATOM 0 HA SER A 90 0.506 21.269 28.370 1.00 0.00 H new ATOM 0 HB2 SER A 90 2.423 22.857 28.239 1.00 0.00 H new ATOM 0 HB3 SER A 90 1.389 24.159 28.794 1.00 0.00 H new ATOM 0 HG SER A 90 1.891 23.525 30.750 1.00 0.00 H new ATOM 1454 N VAL A 91 -0.962 22.102 30.350 1.00 0.00 N ATOM 1455 CA VAL A 91 -2.083 22.338 31.251 1.00 0.00 C ATOM 1456 C VAL A 91 -1.725 23.369 32.318 1.00 0.00 C ATOM 1457 O VAL A 91 -2.584 24.113 32.789 1.00 0.00 O ATOM 1458 CB VAL A 91 -2.535 21.033 31.939 1.00 0.00 C ATOM 1459 CG1 VAL A 91 -1.419 20.466 32.805 1.00 0.00 C ATOM 1460 CG2 VAL A 91 -3.792 21.268 32.762 1.00 0.00 C ATOM 0 H VAL A 91 -0.251 21.470 30.718 1.00 0.00 H new ATOM 0 HA VAL A 91 -2.903 22.721 30.643 1.00 0.00 H new ATOM 0 HB VAL A 91 -2.768 20.302 31.165 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.759 19.546 33.281 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -0.549 20.253 32.184 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -1.149 21.192 33.572 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.094 20.336 33.239 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -3.591 22.018 33.527 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.593 21.619 32.111 1.00 0.00 H new ATOM 1470 N ALA A 92 -0.450 23.406 32.694 1.00 0.00 N ATOM 1471 CA ALA A 92 0.022 24.346 33.704 1.00 0.00 C ATOM 1472 C ALA A 92 1.378 24.926 33.322 1.00 0.00 C ATOM 1473 O ALA A 92 2.181 24.273 32.657 1.00 0.00 O ATOM 1474 CB ALA A 92 0.100 23.664 35.062 1.00 0.00 C ATOM 0 H ALA A 92 0.274 22.796 32.314 1.00 0.00 H new ATOM 0 HA ALA A 92 -0.691 25.168 33.763 1.00 0.00 H new ATOM 0 HB1 ALA A 92 0.454 24.377 35.807 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -0.889 23.303 35.345 1.00 0.00 H new ATOM 0 HB3 ALA A 92 0.791 22.823 35.008 1.00 0.00 H new ATOM 1480 N ALA A 93 1.628 26.161 33.748 1.00 0.00 N ATOM 1481 CA ALA A 93 2.888 26.832 33.453 1.00 0.00 C ATOM 1482 C ALA A 93 3.681 27.095 34.728 1.00 0.00 C ATOM 1483 O ALA A 93 3.113 27.193 35.814 1.00 0.00 O ATOM 1484 CB ALA A 93 2.629 28.135 32.711 1.00 0.00 C ATOM 0 H ALA A 93 0.974 26.717 34.299 1.00 0.00 H new ATOM 0 HA ALA A 93 3.482 26.176 32.817 1.00 0.00 H new ATOM 0 HB1 ALA A 93 3.578 28.626 32.497 1.00 0.00 H new ATOM 0 HB2 ALA A 93 2.110 27.924 31.776 1.00 0.00 H new ATOM 0 HB3 ALA A 93 2.013 28.789 33.328 1.00 0.00 H new ATOM 1490 N ARG A 94 4.998 27.208 34.586 1.00 0.00 N ATOM 1491 CA ARG A 94 5.871 27.459 35.727 1.00 0.00 C ATOM 1492 C ARG A 94 7.274 27.835 35.268 1.00 0.00 C ATOM 1493 O ARG A 94 7.947 27.055 34.592 1.00 0.00 O ATOM 1494 CB ARG A 94 5.929 26.228 36.632 1.00 0.00 C ATOM 1495 CG ARG A 94 6.355 26.539 38.058 1.00 0.00 C ATOM 1496 CD ARG A 94 7.156 25.398 38.662 1.00 0.00 C ATOM 1497 NE ARG A 94 7.687 25.739 39.980 1.00 0.00 N ATOM 1498 CZ ARG A 94 8.137 24.841 40.854 1.00 0.00 C ATOM 1499 NH1 ARG A 94 8.122 23.548 40.555 1.00 0.00 N ATOM 1500 NH2 ARG A 94 8.602 25.237 42.030 1.00 0.00 N ATOM 0 H ARG A 94 5.484 27.130 33.692 1.00 0.00 H new ATOM 0 HA ARG A 94 5.458 28.296 36.290 1.00 0.00 H new ATOM 0 HB2 ARG A 94 4.947 25.755 36.650 1.00 0.00 H new ATOM 0 HB3 ARG A 94 6.624 25.505 36.204 1.00 0.00 H new ATOM 0 HG2 ARG A 94 6.953 27.450 38.070 1.00 0.00 H new ATOM 0 HG3 ARG A 94 5.473 26.729 38.669 1.00 0.00 H new ATOM 0 HD2 ARG A 94 6.523 24.514 38.744 1.00 0.00 H new ATOM 0 HD3 ARG A 94 7.979 25.140 37.995 1.00 0.00 H new ATOM 0 HE ARG A 94 7.715 26.723 40.246 1.00 0.00 H new ATOM 0 HH11 ARG A 94 7.764 23.238 39.652 1.00 0.00 H new ATOM 0 HH12 ARG A 94 8.468 22.865 41.229 1.00 0.00 H new ATOM 0 HH21 ARG A 94 8.615 26.229 42.265 1.00 0.00 H new ATOM 0 HH22 ARG A 94 8.947 24.549 42.700 1.00 0.00 H new ATOM 1514 N SER A 95 7.711 29.035 35.636 1.00 0.00 N ATOM 1515 CA SER A 95 9.036 29.516 35.261 1.00 0.00 C ATOM 1516 C SER A 95 9.962 29.565 36.476 1.00 0.00 C ATOM 1517 O SER A 95 9.984 30.551 37.209 1.00 0.00 O ATOM 1518 CB SER A 95 8.936 30.905 34.630 1.00 0.00 C ATOM 1519 OG SER A 95 8.747 30.816 33.228 1.00 0.00 O ATOM 0 H SER A 95 7.166 29.693 36.194 1.00 0.00 H new ATOM 0 HA SER A 95 9.455 28.821 34.533 1.00 0.00 H new ATOM 0 HB2 SER A 95 8.107 31.452 35.078 1.00 0.00 H new ATOM 0 HB3 SER A 95 9.843 31.471 34.843 1.00 0.00 H new ATOM 0 HG SER A 95 8.684 31.717 32.848 1.00 0.00 H new ATOM 1525 N PRO A 96 10.743 28.492 36.706 1.00 0.00 N ATOM 1526 CA PRO A 96 11.670 28.425 37.841 1.00 0.00 C ATOM 1527 C PRO A 96 12.822 29.417 37.706 1.00 0.00 C ATOM 1528 O PRO A 96 13.174 29.829 36.601 1.00 0.00 O ATOM 1529 CB PRO A 96 12.195 26.987 37.791 1.00 0.00 C ATOM 1530 CG PRO A 96 12.018 26.564 36.374 1.00 0.00 C ATOM 1531 CD PRO A 96 10.784 27.268 35.884 1.00 0.00 C ATOM 0 HA PRO A 96 11.181 28.680 38.781 1.00 0.00 H new ATOM 0 HB2 PRO A 96 13.242 26.938 38.090 1.00 0.00 H new ATOM 0 HB3 PRO A 96 11.639 26.340 38.469 1.00 0.00 H new ATOM 0 HG2 PRO A 96 12.887 26.836 35.774 1.00 0.00 H new ATOM 0 HG3 PRO A 96 11.906 25.482 36.301 1.00 0.00 H new ATOM 0 HD2 PRO A 96 10.848 27.499 34.821 1.00 0.00 H new ATOM 0 HD3 PRO A 96 9.891 26.659 36.024 1.00 0.00 H new ATOM 1539 N GLU A 97 13.404 29.796 38.840 1.00 0.00 N ATOM 1540 CA GLU A 97 14.515 30.739 38.850 1.00 0.00 C ATOM 1541 C GLU A 97 15.692 30.206 38.038 1.00 0.00 C ATOM 1542 O GLU A 97 15.889 28.996 37.935 1.00 0.00 O ATOM 1543 CB GLU A 97 14.959 31.022 40.286 1.00 0.00 C ATOM 1544 CG GLU A 97 13.838 31.526 41.181 1.00 0.00 C ATOM 1545 CD GLU A 97 13.435 32.954 40.861 1.00 0.00 C ATOM 1546 OE1 GLU A 97 13.134 33.235 39.682 1.00 0.00 O ATOM 1547 OE2 GLU A 97 13.419 33.788 41.789 1.00 0.00 O ATOM 0 H GLU A 97 13.124 29.464 39.763 1.00 0.00 H new ATOM 0 HA GLU A 97 14.173 31.667 38.392 1.00 0.00 H new ATOM 0 HB2 GLU A 97 15.374 30.110 40.716 1.00 0.00 H new ATOM 0 HB3 GLU A 97 15.761 31.760 40.271 1.00 0.00 H new ATOM 0 HG2 GLU A 97 12.971 30.875 41.073 1.00 0.00 H new ATOM 0 HG3 GLU A 97 14.154 31.466 42.222 1.00 0.00 H new ATOM 1554 N LYS A 98 16.469 31.119 37.464 1.00 0.00 N ATOM 1555 CA LYS A 98 17.626 30.740 36.660 1.00 0.00 C ATOM 1556 C LYS A 98 18.922 31.006 37.417 1.00 0.00 C ATOM 1557 O LYS A 98 19.955 31.305 36.814 1.00 0.00 O ATOM 1558 CB LYS A 98 17.627 31.507 35.336 1.00 0.00 C ATOM 1559 CG LYS A 98 16.467 31.143 34.421 1.00 0.00 C ATOM 1560 CD LYS A 98 16.954 30.657 33.066 1.00 0.00 C ATOM 1561 CE LYS A 98 15.841 30.681 32.032 1.00 0.00 C ATOM 1562 NZ LYS A 98 15.229 29.336 31.842 1.00 0.00 N ATOM 0 H LYS A 98 16.319 32.125 37.540 1.00 0.00 H new ATOM 0 HA LYS A 98 17.560 29.672 36.452 1.00 0.00 H new ATOM 0 HB2 LYS A 98 17.592 32.576 35.545 1.00 0.00 H new ATOM 0 HB3 LYS A 98 18.565 31.314 34.815 1.00 0.00 H new ATOM 0 HG2 LYS A 98 15.862 30.367 34.890 1.00 0.00 H new ATOM 0 HG3 LYS A 98 15.823 32.012 34.286 1.00 0.00 H new ATOM 0 HD2 LYS A 98 17.779 31.284 32.728 1.00 0.00 H new ATOM 0 HD3 LYS A 98 17.342 29.643 33.160 1.00 0.00 H new ATOM 0 HE2 LYS A 98 15.072 31.389 32.343 1.00 0.00 H new ATOM 0 HE3 LYS A 98 16.237 31.037 31.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 14.474 29.396 31.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 15.957 28.666 31.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 14.828 29.006 32.743 1.00 0.00 H new ATOM 1576 N ALA A 99 18.864 30.898 38.740 1.00 0.00 N ATOM 1577 CA ALA A 99 20.034 31.126 39.579 1.00 0.00 C ATOM 1578 C ALA A 99 20.466 29.843 40.280 1.00 0.00 C ATOM 1579 O ALA A 99 21.022 29.882 41.379 1.00 0.00 O ATOM 1580 CB ALA A 99 19.747 32.217 40.599 1.00 0.00 C ATOM 0 H ALA A 99 18.018 30.654 39.255 1.00 0.00 H new ATOM 0 HA ALA A 99 20.853 31.451 38.937 1.00 0.00 H new ATOM 0 HB1 ALA A 99 20.629 32.377 41.219 1.00 0.00 H new ATOM 0 HB2 ALA A 99 19.495 33.142 40.081 1.00 0.00 H new ATOM 0 HB3 ALA A 99 18.911 31.915 41.229 1.00 0.00 H new ATOM 1586 N SER A 100 20.209 28.708 39.639 1.00 0.00 N ATOM 1587 CA SER A 100 20.571 27.412 40.203 1.00 0.00 C ATOM 1588 C SER A 100 20.236 26.284 39.232 1.00 0.00 C ATOM 1589 O SER A 100 19.805 25.207 39.642 1.00 0.00 O ATOM 1590 CB SER A 100 19.847 27.191 41.531 1.00 0.00 C ATOM 1591 OG SER A 100 20.341 26.040 42.196 1.00 0.00 O ATOM 0 H SER A 100 19.751 28.659 38.729 1.00 0.00 H new ATOM 0 HA SER A 100 21.647 27.407 40.379 1.00 0.00 H new ATOM 0 HB2 SER A 100 19.975 28.066 42.168 1.00 0.00 H new ATOM 0 HB3 SER A 100 18.778 27.080 41.352 1.00 0.00 H new ATOM 0 HG SER A 100 20.338 25.279 41.579 1.00 0.00 H new ATOM 1597 N ASN A 101 20.438 26.540 37.943 1.00 0.00 N ATOM 1598 CA ASN A 101 20.158 25.546 36.914 1.00 0.00 C ATOM 1599 C ASN A 101 21.040 24.314 37.093 1.00 0.00 C ATOM 1600 O ASN A 101 22.175 24.414 37.559 1.00 0.00 O ATOM 1601 CB ASN A 101 20.372 26.148 35.523 1.00 0.00 C ATOM 1602 CG ASN A 101 19.117 26.102 34.673 1.00 0.00 C ATOM 1603 OD1 ASN A 101 18.222 25.292 34.913 1.00 0.00 O ATOM 1604 ND2 ASN A 101 19.048 26.970 33.671 1.00 0.00 N ATOM 0 H ASN A 101 20.794 27.427 37.587 1.00 0.00 H new ATOM 0 HA ASN A 101 19.117 25.240 37.012 1.00 0.00 H new ATOM 0 HB2 ASN A 101 20.701 27.182 35.625 1.00 0.00 H new ATOM 0 HB3 ASN A 101 21.171 25.608 35.015 1.00 0.00 H new ATOM 0 HD21 ASN A 101 18.229 26.983 33.063 1.00 0.00 H new ATOM 0 HD22 ASN A 101 19.814 27.624 33.509 1.00 0.00 H new ATOM 1611 N MET A 102 20.511 23.154 36.718 1.00 0.00 N ATOM 1612 CA MET A 102 21.251 21.903 36.837 1.00 0.00 C ATOM 1613 C MET A 102 21.613 21.622 38.292 1.00 0.00 C ATOM 1614 O MET A 102 21.361 22.442 39.175 1.00 0.00 O ATOM 1615 CB MET A 102 22.518 21.953 35.979 1.00 0.00 C ATOM 1616 CG MET A 102 22.507 20.970 34.819 1.00 0.00 C ATOM 1617 SD MET A 102 24.155 20.376 34.398 1.00 0.00 S ATOM 1618 CE MET A 102 24.067 20.366 32.609 1.00 0.00 C ATOM 0 H MET A 102 19.573 23.054 36.329 1.00 0.00 H new ATOM 0 HA MET A 102 20.613 21.095 36.480 1.00 0.00 H new ATOM 0 HB2 MET A 102 22.642 22.963 35.587 1.00 0.00 H new ATOM 0 HB3 MET A 102 23.383 21.748 36.610 1.00 0.00 H new ATOM 0 HG2 MET A 102 21.873 20.121 35.073 1.00 0.00 H new ATOM 0 HG3 MET A 102 22.063 21.449 33.946 1.00 0.00 H new ATOM 0 HE1 MET A 102 25.016 20.020 32.200 1.00 0.00 H new ATOM 0 HE2 MET A 102 23.268 19.698 32.288 1.00 0.00 H new ATOM 0 HE3 MET A 102 23.863 21.374 32.249 1.00 0.00 H new ATOM 1628 N GLU A 103 22.208 20.457 38.534 1.00 0.00 N ATOM 1629 CA GLU A 103 22.605 20.068 39.881 1.00 0.00 C ATOM 1630 C GLU A 103 21.393 19.993 40.806 1.00 0.00 C ATOM 1631 O GLU A 103 21.363 20.624 41.863 1.00 0.00 O ATOM 1632 CB GLU A 103 23.630 21.058 40.440 1.00 0.00 C ATOM 1633 CG GLU A 103 24.615 20.430 41.412 1.00 0.00 C ATOM 1634 CD GLU A 103 24.734 21.207 42.708 1.00 0.00 C ATOM 1635 OE1 GLU A 103 24.777 22.454 42.652 1.00 0.00 O ATOM 1636 OE2 GLU A 103 24.782 20.569 43.782 1.00 0.00 O ATOM 0 H GLU A 103 22.425 19.767 37.814 1.00 0.00 H new ATOM 0 HA GLU A 103 23.059 19.079 39.828 1.00 0.00 H new ATOM 0 HB2 GLU A 103 24.183 21.502 39.612 1.00 0.00 H new ATOM 0 HB3 GLU A 103 23.103 21.869 40.943 1.00 0.00 H new ATOM 0 HG2 GLU A 103 24.301 19.410 41.632 1.00 0.00 H new ATOM 0 HG3 GLU A 103 25.595 20.367 40.940 1.00 0.00 H new ATOM 1643 N ASN A 104 20.394 19.216 40.401 1.00 0.00 N ATOM 1644 CA ASN A 104 19.180 19.057 41.193 1.00 0.00 C ATOM 1645 C ASN A 104 18.735 17.599 41.220 1.00 0.00 C ATOM 1646 O ASN A 104 18.793 16.902 40.207 1.00 0.00 O ATOM 1647 CB ASN A 104 18.061 19.934 40.629 1.00 0.00 C ATOM 1648 CG ASN A 104 17.179 20.517 41.716 1.00 0.00 C ATOM 1649 OD1 ASN A 104 17.495 20.430 42.902 1.00 0.00 O ATOM 1650 ND2 ASN A 104 16.063 21.114 41.315 1.00 0.00 N ATOM 0 H ASN A 104 20.401 18.687 39.529 1.00 0.00 H new ATOM 0 HA ASN A 104 19.398 19.370 42.214 1.00 0.00 H new ATOM 0 HB2 ASN A 104 18.498 20.745 40.046 1.00 0.00 H new ATOM 0 HB3 ASN A 104 17.450 19.344 39.947 1.00 0.00 H new ATOM 0 HD21 ASN A 104 15.429 21.523 42.001 1.00 0.00 H new ATOM 0 HD22 ASN A 104 15.840 21.163 40.321 1.00 0.00 H new ATOM 1657 N ASN A 105 18.290 17.143 42.387 1.00 0.00 N ATOM 1658 CA ASN A 105 17.834 15.768 42.547 1.00 0.00 C ATOM 1659 C ASN A 105 16.487 15.720 43.261 1.00 0.00 C ATOM 1660 O ASN A 105 16.195 16.560 44.113 1.00 0.00 O ATOM 1661 CB ASN A 105 18.867 14.953 43.327 1.00 0.00 C ATOM 1662 CG ASN A 105 18.815 13.477 42.991 1.00 0.00 C ATOM 1663 OD1 ASN A 105 17.751 12.932 42.696 1.00 0.00 O ATOM 1664 ND2 ASN A 105 19.968 12.819 43.033 1.00 0.00 N ATOM 0 H ASN A 105 18.236 17.706 43.235 1.00 0.00 H new ATOM 0 HA ASN A 105 17.714 15.334 41.554 1.00 0.00 H new ATOM 0 HB2 ASN A 105 19.865 15.336 43.112 1.00 0.00 H new ATOM 0 HB3 ASN A 105 18.698 15.085 44.396 1.00 0.00 H new ATOM 0 HD21 ASN A 105 19.995 11.823 42.816 1.00 0.00 H new ATOM 0 HD22 ASN A 105 20.827 13.310 43.282 1.00 0.00 H new ATOM 1671 N GLU A 106 15.670 14.734 42.907 1.00 0.00 N ATOM 1672 CA GLU A 106 14.354 14.576 43.514 1.00 0.00 C ATOM 1673 C GLU A 106 13.486 15.804 43.257 1.00 0.00 C ATOM 1674 O GLU A 106 13.986 16.760 42.627 1.00 0.00 O ATOM 1675 CB GLU A 106 14.489 14.339 45.019 1.00 0.00 C ATOM 1676 CG GLU A 106 15.215 13.048 45.367 1.00 0.00 C ATOM 1677 CD GLU A 106 16.333 13.260 46.371 1.00 0.00 C ATOM 1678 OE1 GLU A 106 16.032 13.378 47.578 1.00 0.00 O ATOM 1679 OE2 GLU A 106 17.507 13.309 45.949 1.00 0.00 O ATOM 1680 OXT GLU A 106 12.314 15.800 43.688 1.00 0.00 O ATOM 0 H GLU A 106 15.896 14.032 42.202 1.00 0.00 H new ATOM 0 HA GLU A 106 13.872 13.711 43.059 1.00 0.00 H new ATOM 0 HB2 GLU A 106 15.023 15.178 45.465 1.00 0.00 H new ATOM 0 HB3 GLU A 106 13.495 14.320 45.466 1.00 0.00 H new ATOM 0 HG2 GLU A 106 14.500 12.331 45.771 1.00 0.00 H new ATOM 0 HG3 GLU A 106 15.626 12.610 44.457 1.00 0.00 H new TER 1687 GLU A 106