USER MOD reduce.3.24.130724 H: found=0, std=0, add=838, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 836 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 16 GLN : amide:sc= -8.08! C(o=-11!,f=-15!) USER MOD Set 1.2: A 92 ASN : amide:sc= -0.77 K(o=-11,f=-18!) USER MOD Set 1.3: A 94 HIS : no HE2:sc= -1.74 K(o=-11,f=-12) USER MOD Set 2.1: A 40 THR OG1 : rot 61:sc= 0.927 USER MOD Set 2.2: A 51 TYR OH : rot -148:sc= 0.174 USER MOD Set 2.3: A 71 HIS : no HD1:sc= 0.714 K(o=1.8,f=-3.4!) USER MOD Set 3.1: A 55 TYR OH : rot 100:sc= 0.998 USER MOD Set 3.2: A 64 GLN : amide:sc= -0.473 K(o=0.53,f=-5.2!) USER MOD Set 4.1: A 54 TYR OH : rot 180:sc= -1.01 USER MOD Set 4.2: A 91 TYR OH : rot -175:sc= 0.00592 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 17:sc= 0.483 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 34:sc= 0.913 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.01 X(o=-0.01,f=0) USER MOD Single : A 23 ASN : amide:sc= -1.3 K(o=-1.3,f=-4.6!) USER MOD Single : A 27 TYR OH : rot 180:sc= -1.94! USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot -170:sc= -0.385 USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.035 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -0.409 X(o=-0.41,f=-0.033) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 50 ASN : amide:sc= -0.0081 X(o=-0.0081,f=-0.42) USER MOD Single : A 52 LYS NZ :NH3+ 144:sc= 1.05 (180deg=-0.00769) USER MOD Single : A 56 MET CE :methyl 161:sc= -0.0485 (180deg=-0.505) USER MOD Single : A 58 LYS NZ :NH3+ -153:sc= -0.111 (180deg=-0.476) USER MOD Single : A 60 THR OG1 : rot 99:sc= 0.938 USER MOD Single : A 62 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00785) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 104:sc= 1.21 USER MOD Single : A 72 SER OG : rot 177:sc= -0.561 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc= -3.81 K(o=-3.8,f=-13!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 55:sc= 0.615 USER MOD Single : A 84 TYR OH : rot 90:sc= 0.977 USER MOD Single : A 85 SER OG : rot -101:sc= -0.96 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot -110:sc= -0.477 USER MOD Single : A 100 THR OG1 : rot -70:sc= 1.04 USER MOD Single : A 107 THR OG1 : rot -176:sc= 0.47 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 29:sc= 0.436 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.793 -28.033 4.202 1.00 0.00 N ATOM 2 CA GLY A 1 -6.378 -26.698 3.811 1.00 0.00 C ATOM 3 C GLY A 1 -5.008 -26.335 4.350 1.00 0.00 C ATOM 4 O GLY A 1 -4.817 -26.237 5.562 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.735 -28.233 3.809 1.00 0.00 H new ATOM 0 H2 GLY A 1 -6.111 -28.729 3.838 1.00 0.00 H new ATOM 0 H3 GLY A 1 -6.831 -28.095 5.239 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.367 -26.628 2.723 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -7.110 -25.974 4.170 1.00 0.00 H new ATOM 8 N SER A 2 -4.052 -26.138 3.449 1.00 0.00 N ATOM 9 CA SER A 2 -2.691 -25.790 3.841 1.00 0.00 C ATOM 10 C SER A 2 -1.996 -24.995 2.740 1.00 0.00 C ATOM 11 O SER A 2 -2.548 -24.796 1.658 1.00 0.00 O ATOM 12 CB SER A 2 -1.890 -27.054 4.157 1.00 0.00 C ATOM 13 OG SER A 2 -2.245 -27.580 5.424 1.00 0.00 O ATOM 0 H SER A 2 -4.194 -26.213 2.442 1.00 0.00 H new ATOM 0 HA SER A 2 -2.744 -25.169 4.735 1.00 0.00 H new ATOM 0 HB2 SER A 2 -2.068 -27.803 3.386 1.00 0.00 H new ATOM 0 HB3 SER A 2 -0.824 -26.826 4.140 1.00 0.00 H new ATOM 0 HG SER A 2 -3.096 -27.190 5.713 1.00 0.00 H new ATOM 19 N SER A 3 -0.779 -24.541 3.026 1.00 0.00 N ATOM 20 CA SER A 3 -0.008 -23.764 2.063 1.00 0.00 C ATOM 21 C SER A 3 1.214 -24.545 1.589 1.00 0.00 C ATOM 22 O SER A 3 1.678 -25.463 2.263 1.00 0.00 O ATOM 23 CB SER A 3 0.430 -22.435 2.682 1.00 0.00 C ATOM 24 OG SER A 3 1.363 -22.643 3.728 1.00 0.00 O ATOM 0 H SER A 3 -0.307 -24.698 3.916 1.00 0.00 H new ATOM 0 HA SER A 3 -0.645 -23.563 1.202 1.00 0.00 H new ATOM 0 HB2 SER A 3 0.875 -21.802 1.914 1.00 0.00 H new ATOM 0 HB3 SER A 3 -0.441 -21.905 3.067 1.00 0.00 H new ATOM 0 HG SER A 3 1.629 -21.779 4.106 1.00 0.00 H new ATOM 30 N GLY A 4 1.731 -24.171 0.422 1.00 0.00 N ATOM 31 CA GLY A 4 2.895 -24.846 -0.124 1.00 0.00 C ATOM 32 C GLY A 4 4.038 -23.892 -0.407 1.00 0.00 C ATOM 33 O GLY A 4 4.109 -23.300 -1.484 1.00 0.00 O ATOM 0 H GLY A 4 1.365 -23.413 -0.155 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.229 -25.611 0.577 1.00 0.00 H new ATOM 0 HA3 GLY A 4 2.616 -25.357 -1.045 1.00 0.00 H new ATOM 37 N SER A 5 4.935 -23.741 0.562 1.00 0.00 N ATOM 38 CA SER A 5 6.078 -22.847 0.413 1.00 0.00 C ATOM 39 C SER A 5 6.758 -23.056 -0.936 1.00 0.00 C ATOM 40 O SER A 5 7.508 -24.014 -1.124 1.00 0.00 O ATOM 41 CB SER A 5 7.082 -23.077 1.544 1.00 0.00 C ATOM 42 OG SER A 5 7.581 -24.403 1.522 1.00 0.00 O ATOM 0 H SER A 5 4.893 -24.226 1.458 1.00 0.00 H new ATOM 0 HA SER A 5 5.715 -21.821 0.462 1.00 0.00 H new ATOM 0 HB2 SER A 5 7.908 -22.373 1.449 1.00 0.00 H new ATOM 0 HB3 SER A 5 6.604 -22.881 2.504 1.00 0.00 H new ATOM 0 HG SER A 5 7.652 -24.711 0.594 1.00 0.00 H new ATOM 48 N SER A 6 6.491 -22.151 -1.873 1.00 0.00 N ATOM 49 CA SER A 6 7.073 -22.237 -3.207 1.00 0.00 C ATOM 50 C SER A 6 8.597 -22.200 -3.138 1.00 0.00 C ATOM 51 O SER A 6 9.274 -23.103 -3.625 1.00 0.00 O ATOM 52 CB SER A 6 6.563 -21.092 -4.084 1.00 0.00 C ATOM 53 OG SER A 6 5.168 -21.202 -4.305 1.00 0.00 O ATOM 0 H SER A 6 5.875 -21.350 -1.732 1.00 0.00 H new ATOM 0 HA SER A 6 6.769 -23.186 -3.649 1.00 0.00 H new ATOM 0 HB2 SER A 6 6.785 -20.137 -3.607 1.00 0.00 H new ATOM 0 HB3 SER A 6 7.088 -21.100 -5.039 1.00 0.00 H new ATOM 0 HG SER A 6 4.866 -20.458 -4.867 1.00 0.00 H new ATOM 59 N GLY A 7 9.130 -21.145 -2.527 1.00 0.00 N ATOM 60 CA GLY A 7 10.569 -21.008 -2.405 1.00 0.00 C ATOM 61 C GLY A 7 11.000 -19.568 -2.214 1.00 0.00 C ATOM 62 O GLY A 7 10.542 -18.676 -2.928 1.00 0.00 O ATOM 0 H GLY A 7 8.590 -20.384 -2.115 1.00 0.00 H new ATOM 0 HA2 GLY A 7 10.917 -21.603 -1.561 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.046 -21.411 -3.298 1.00 0.00 H new ATOM 66 N ARG A 8 11.883 -19.339 -1.247 1.00 0.00 N ATOM 67 CA ARG A 8 12.374 -17.996 -0.963 1.00 0.00 C ATOM 68 C ARG A 8 13.470 -17.598 -1.946 1.00 0.00 C ATOM 69 O ARG A 8 14.644 -17.910 -1.743 1.00 0.00 O ATOM 70 CB ARG A 8 12.905 -17.916 0.470 1.00 0.00 C ATOM 71 CG ARG A 8 11.836 -17.584 1.498 1.00 0.00 C ATOM 72 CD ARG A 8 12.317 -17.868 2.913 1.00 0.00 C ATOM 73 NE ARG A 8 12.252 -19.290 3.238 1.00 0.00 N ATOM 74 CZ ARG A 8 11.154 -19.895 3.678 1.00 0.00 C ATOM 75 NH1 ARG A 8 10.035 -19.204 3.846 1.00 0.00 N ATOM 76 NH2 ARG A 8 11.174 -21.193 3.952 1.00 0.00 N ATOM 0 H ARG A 8 12.273 -20.066 -0.647 1.00 0.00 H new ATOM 0 HA ARG A 8 11.541 -17.301 -1.074 1.00 0.00 H new ATOM 0 HB2 ARG A 8 13.365 -18.869 0.732 1.00 0.00 H new ATOM 0 HB3 ARG A 8 13.689 -17.160 0.516 1.00 0.00 H new ATOM 0 HG2 ARG A 8 11.559 -16.533 1.411 1.00 0.00 H new ATOM 0 HG3 ARG A 8 10.939 -18.168 1.293 1.00 0.00 H new ATOM 0 HD2 ARG A 8 13.343 -17.517 3.024 1.00 0.00 H new ATOM 0 HD3 ARG A 8 11.709 -17.306 3.622 1.00 0.00 H new ATOM 0 HE ARG A 8 13.096 -19.850 3.121 1.00 0.00 H new ATOM 0 HH11 ARG A 8 10.016 -18.206 3.637 1.00 0.00 H new ATOM 0 HH12 ARG A 8 9.193 -19.671 4.184 1.00 0.00 H new ATOM 0 HH21 ARG A 8 12.033 -21.728 3.825 1.00 0.00 H new ATOM 0 HH22 ARG A 8 10.330 -21.656 4.290 1.00 0.00 H new ATOM 90 N VAL A 9 13.080 -16.907 -3.012 1.00 0.00 N ATOM 91 CA VAL A 9 14.029 -16.465 -4.027 1.00 0.00 C ATOM 92 C VAL A 9 14.730 -15.180 -3.602 1.00 0.00 C ATOM 93 O VAL A 9 14.080 -14.186 -3.278 1.00 0.00 O ATOM 94 CB VAL A 9 13.335 -16.235 -5.383 1.00 0.00 C ATOM 95 CG1 VAL A 9 12.796 -17.546 -5.936 1.00 0.00 C ATOM 96 CG2 VAL A 9 12.223 -15.207 -5.243 1.00 0.00 C ATOM 0 H VAL A 9 12.113 -16.641 -3.195 1.00 0.00 H new ATOM 0 HA VAL A 9 14.768 -17.259 -4.136 1.00 0.00 H new ATOM 0 HB VAL A 9 14.070 -15.847 -6.088 1.00 0.00 H new ATOM 0 HG11 VAL A 9 12.309 -17.364 -6.894 1.00 0.00 H new ATOM 0 HG12 VAL A 9 13.618 -18.248 -6.074 1.00 0.00 H new ATOM 0 HG13 VAL A 9 12.074 -17.967 -5.236 1.00 0.00 H new ATOM 0 HG21 VAL A 9 11.743 -15.056 -6.210 1.00 0.00 H new ATOM 0 HG22 VAL A 9 11.486 -15.564 -4.524 1.00 0.00 H new ATOM 0 HG23 VAL A 9 12.642 -14.263 -4.895 1.00 0.00 H new ATOM 106 N GLU A 10 16.059 -15.207 -3.607 1.00 0.00 N ATOM 107 CA GLU A 10 16.847 -14.043 -3.221 1.00 0.00 C ATOM 108 C GLU A 10 17.241 -13.222 -4.446 1.00 0.00 C ATOM 109 O GLU A 10 18.292 -13.447 -5.048 1.00 0.00 O ATOM 110 CB GLU A 10 18.102 -14.477 -2.460 1.00 0.00 C ATOM 111 CG GLU A 10 17.834 -14.865 -1.016 1.00 0.00 C ATOM 112 CD GLU A 10 17.305 -13.708 -0.190 1.00 0.00 C ATOM 113 OE1 GLU A 10 17.979 -12.657 -0.144 1.00 0.00 O ATOM 114 OE2 GLU A 10 16.220 -13.853 0.410 1.00 0.00 O ATOM 0 H GLU A 10 16.612 -16.022 -3.874 1.00 0.00 H new ATOM 0 HA GLU A 10 16.233 -13.421 -2.570 1.00 0.00 H new ATOM 0 HB2 GLU A 10 18.556 -15.323 -2.977 1.00 0.00 H new ATOM 0 HB3 GLU A 10 18.828 -13.664 -2.480 1.00 0.00 H new ATOM 0 HG2 GLU A 10 17.114 -15.683 -0.991 1.00 0.00 H new ATOM 0 HG3 GLU A 10 18.755 -15.236 -0.566 1.00 0.00 H new ATOM 121 N THR A 11 16.389 -12.269 -4.812 1.00 0.00 N ATOM 122 CA THR A 11 16.646 -11.416 -5.965 1.00 0.00 C ATOM 123 C THR A 11 16.230 -9.976 -5.687 1.00 0.00 C ATOM 124 O THR A 11 15.264 -9.728 -4.966 1.00 0.00 O ATOM 125 CB THR A 11 15.901 -11.922 -7.215 1.00 0.00 C ATOM 126 OG1 THR A 11 16.218 -11.097 -8.341 1.00 0.00 O ATOM 127 CG2 THR A 11 14.397 -11.920 -6.986 1.00 0.00 C ATOM 0 H THR A 11 15.515 -12.069 -4.326 1.00 0.00 H new ATOM 0 HA THR A 11 17.719 -11.451 -6.152 1.00 0.00 H new ATOM 0 HB THR A 11 16.221 -12.945 -7.413 1.00 0.00 H new ATOM 0 HG1 THR A 11 15.742 -11.426 -9.132 1.00 0.00 H new ATOM 0 HG21 THR A 11 13.892 -12.281 -7.882 1.00 0.00 H new ATOM 0 HG22 THR A 11 14.156 -12.572 -6.146 1.00 0.00 H new ATOM 0 HG23 THR A 11 14.064 -10.906 -6.766 1.00 0.00 H new ATOM 135 N GLN A 12 16.964 -9.031 -6.265 1.00 0.00 N ATOM 136 CA GLN A 12 16.670 -7.615 -6.079 1.00 0.00 C ATOM 137 C GLN A 12 16.241 -6.971 -7.393 1.00 0.00 C ATOM 138 O GLN A 12 16.577 -7.439 -8.481 1.00 0.00 O ATOM 139 CB GLN A 12 17.892 -6.888 -5.516 1.00 0.00 C ATOM 140 CG GLN A 12 18.147 -7.176 -4.045 1.00 0.00 C ATOM 141 CD GLN A 12 19.052 -8.373 -3.833 1.00 0.00 C ATOM 142 OE1 GLN A 12 18.612 -9.422 -3.360 1.00 0.00 O ATOM 143 NE2 GLN A 12 20.324 -8.223 -4.182 1.00 0.00 N ATOM 0 H GLN A 12 17.766 -9.220 -6.866 1.00 0.00 H new ATOM 0 HA GLN A 12 15.847 -7.531 -5.369 1.00 0.00 H new ATOM 0 HB2 GLN A 12 18.772 -7.175 -6.092 1.00 0.00 H new ATOM 0 HB3 GLN A 12 17.759 -5.814 -5.650 1.00 0.00 H new ATOM 0 HG2 GLN A 12 18.596 -6.299 -3.580 1.00 0.00 H new ATOM 0 HG3 GLN A 12 17.196 -7.351 -3.543 1.00 0.00 H new ATOM 0 HE21 GLN A 12 20.645 -7.336 -4.570 1.00 0.00 H new ATOM 0 HE22 GLN A 12 20.980 -8.995 -4.062 1.00 0.00 H new ATOM 152 N PRO A 13 15.481 -5.870 -7.293 1.00 0.00 N ATOM 153 CA PRO A 13 14.990 -5.138 -8.464 1.00 0.00 C ATOM 154 C PRO A 13 16.109 -4.416 -9.207 1.00 0.00 C ATOM 155 O PRO A 13 17.216 -4.272 -8.691 1.00 0.00 O ATOM 156 CB PRO A 13 14.008 -4.128 -7.865 1.00 0.00 C ATOM 157 CG PRO A 13 14.473 -3.934 -6.463 1.00 0.00 C ATOM 158 CD PRO A 13 15.042 -5.256 -6.029 1.00 0.00 C ATOM 0 HA PRO A 13 14.542 -5.803 -9.202 1.00 0.00 H new ATOM 0 HB2 PRO A 13 14.018 -3.189 -8.419 1.00 0.00 H new ATOM 0 HB3 PRO A 13 12.986 -4.504 -7.895 1.00 0.00 H new ATOM 0 HG2 PRO A 13 15.226 -3.148 -6.407 1.00 0.00 H new ATOM 0 HG3 PRO A 13 13.649 -3.633 -5.817 1.00 0.00 H new ATOM 0 HD2 PRO A 13 15.873 -5.128 -5.335 1.00 0.00 H new ATOM 0 HD3 PRO A 13 14.295 -5.868 -5.523 1.00 0.00 H new ATOM 166 N GLU A 14 15.811 -3.964 -10.422 1.00 0.00 N ATOM 167 CA GLU A 14 16.794 -3.258 -11.235 1.00 0.00 C ATOM 168 C GLU A 14 17.191 -1.937 -10.583 1.00 0.00 C ATOM 169 O GLU A 14 16.572 -1.499 -9.613 1.00 0.00 O ATOM 170 CB GLU A 14 16.237 -3.000 -12.637 1.00 0.00 C ATOM 171 CG GLU A 14 16.430 -4.166 -13.592 1.00 0.00 C ATOM 172 CD GLU A 14 17.878 -4.349 -14.005 1.00 0.00 C ATOM 173 OE1 GLU A 14 18.467 -3.390 -14.545 1.00 0.00 O ATOM 174 OE2 GLU A 14 18.421 -5.452 -13.787 1.00 0.00 O ATOM 0 H GLU A 14 14.898 -4.074 -10.864 1.00 0.00 H new ATOM 0 HA GLU A 14 17.682 -3.886 -11.314 1.00 0.00 H new ATOM 0 HB2 GLU A 14 15.173 -2.776 -12.561 1.00 0.00 H new ATOM 0 HB3 GLU A 14 16.720 -2.116 -13.054 1.00 0.00 H new ATOM 0 HG2 GLU A 14 16.073 -5.081 -13.119 1.00 0.00 H new ATOM 0 HG3 GLU A 14 15.820 -4.007 -14.481 1.00 0.00 H new ATOM 181 N VAL A 15 18.229 -1.305 -11.123 1.00 0.00 N ATOM 182 CA VAL A 15 18.709 -0.034 -10.595 1.00 0.00 C ATOM 183 C VAL A 15 17.978 1.139 -11.238 1.00 0.00 C ATOM 184 O VAL A 15 17.745 2.164 -10.596 1.00 0.00 O ATOM 185 CB VAL A 15 20.224 0.132 -10.823 1.00 0.00 C ATOM 186 CG1 VAL A 15 20.694 1.488 -10.320 1.00 0.00 C ATOM 187 CG2 VAL A 15 20.990 -0.993 -10.145 1.00 0.00 C ATOM 0 H VAL A 15 18.753 -1.653 -11.926 1.00 0.00 H new ATOM 0 HA VAL A 15 18.509 -0.040 -9.524 1.00 0.00 H new ATOM 0 HB VAL A 15 20.421 0.081 -11.894 1.00 0.00 H new ATOM 0 HG11 VAL A 15 21.766 1.587 -10.489 1.00 0.00 H new ATOM 0 HG12 VAL A 15 20.167 2.277 -10.856 1.00 0.00 H new ATOM 0 HG13 VAL A 15 20.486 1.573 -9.253 1.00 0.00 H new ATOM 0 HG21 VAL A 15 22.058 -0.860 -10.316 1.00 0.00 H new ATOM 0 HG22 VAL A 15 20.789 -0.976 -9.074 1.00 0.00 H new ATOM 0 HG23 VAL A 15 20.672 -1.950 -10.559 1.00 0.00 H new ATOM 197 N GLN A 16 17.619 0.982 -12.508 1.00 0.00 N ATOM 198 CA GLN A 16 16.914 2.029 -13.237 1.00 0.00 C ATOM 199 C GLN A 16 15.420 1.995 -12.930 1.00 0.00 C ATOM 200 O GLN A 16 14.589 2.182 -13.820 1.00 0.00 O ATOM 201 CB GLN A 16 17.141 1.874 -14.742 1.00 0.00 C ATOM 202 CG GLN A 16 16.698 0.526 -15.288 1.00 0.00 C ATOM 203 CD GLN A 16 15.265 0.540 -15.783 1.00 0.00 C ATOM 204 OE1 GLN A 16 14.808 1.521 -16.370 1.00 0.00 O ATOM 205 NE2 GLN A 16 14.547 -0.552 -15.547 1.00 0.00 N ATOM 0 H GLN A 16 17.805 0.140 -13.053 1.00 0.00 H new ATOM 0 HA GLN A 16 17.311 2.991 -12.914 1.00 0.00 H new ATOM 0 HB2 GLN A 16 16.602 2.664 -15.266 1.00 0.00 H new ATOM 0 HB3 GLN A 16 18.200 2.014 -14.958 1.00 0.00 H new ATOM 0 HG2 GLN A 16 17.358 0.234 -16.105 1.00 0.00 H new ATOM 0 HG3 GLN A 16 16.802 -0.229 -14.509 1.00 0.00 H new ATOM 0 HE21 GLN A 16 14.966 -1.342 -15.057 1.00 0.00 H new ATOM 0 HE22 GLN A 16 13.576 -0.601 -15.856 1.00 0.00 H new ATOM 214 N LEU A 17 15.086 1.756 -11.667 1.00 0.00 N ATOM 215 CA LEU A 17 13.692 1.697 -11.242 1.00 0.00 C ATOM 216 C LEU A 17 13.385 2.793 -10.226 1.00 0.00 C ATOM 217 O LEU A 17 14.282 3.381 -9.622 1.00 0.00 O ATOM 218 CB LEU A 17 13.378 0.326 -10.641 1.00 0.00 C ATOM 219 CG LEU A 17 12.817 -0.718 -11.607 1.00 0.00 C ATOM 220 CD1 LEU A 17 13.422 -0.544 -12.992 1.00 0.00 C ATOM 221 CD2 LEU A 17 13.074 -2.123 -11.083 1.00 0.00 C ATOM 0 H LEU A 17 15.762 1.600 -10.919 1.00 0.00 H new ATOM 0 HA LEU A 17 13.064 1.854 -12.119 1.00 0.00 H new ATOM 0 HB2 LEU A 17 14.291 -0.072 -10.198 1.00 0.00 H new ATOM 0 HB3 LEU A 17 12.663 0.462 -9.830 1.00 0.00 H new ATOM 0 HG LEU A 17 11.739 -0.572 -11.683 1.00 0.00 H new ATOM 0 HD11 LEU A 17 13.011 -1.296 -13.666 1.00 0.00 H new ATOM 0 HD12 LEU A 17 13.185 0.451 -13.370 1.00 0.00 H new ATOM 0 HD13 LEU A 17 14.504 -0.662 -12.934 1.00 0.00 H new ATOM 0 HD21 LEU A 17 12.668 -2.853 -11.784 1.00 0.00 H new ATOM 0 HD22 LEU A 17 14.147 -2.281 -10.976 1.00 0.00 H new ATOM 0 HD23 LEU A 17 12.591 -2.244 -10.113 1.00 0.00 H new ATOM 233 N PRO A 18 12.088 3.072 -10.030 1.00 0.00 N ATOM 234 CA PRO A 18 11.633 4.096 -9.085 1.00 0.00 C ATOM 235 C PRO A 18 11.866 3.690 -7.634 1.00 0.00 C ATOM 236 O PRO A 18 12.106 2.520 -7.337 1.00 0.00 O ATOM 237 CB PRO A 18 10.134 4.207 -9.376 1.00 0.00 C ATOM 238 CG PRO A 18 9.761 2.883 -9.950 1.00 0.00 C ATOM 239 CD PRO A 18 10.966 2.410 -10.716 1.00 0.00 C ATOM 0 HA PRO A 18 12.175 5.034 -9.208 1.00 0.00 H new ATOM 0 HB2 PRO A 18 9.569 4.418 -8.468 1.00 0.00 H new ATOM 0 HB3 PRO A 18 9.925 5.015 -10.077 1.00 0.00 H new ATOM 0 HG2 PRO A 18 9.497 2.177 -9.163 1.00 0.00 H new ATOM 0 HG3 PRO A 18 8.893 2.971 -10.603 1.00 0.00 H new ATOM 0 HD2 PRO A 18 11.061 1.325 -10.686 1.00 0.00 H new ATOM 0 HD3 PRO A 18 10.912 2.696 -11.766 1.00 0.00 H new ATOM 247 N GLY A 19 11.792 4.664 -6.732 1.00 0.00 N ATOM 248 CA GLY A 19 11.997 4.387 -5.322 1.00 0.00 C ATOM 249 C GLY A 19 10.692 4.273 -4.558 1.00 0.00 C ATOM 250 O GLY A 19 9.608 4.466 -5.108 1.00 0.00 O ATOM 0 H GLY A 19 11.594 5.640 -6.952 1.00 0.00 H new ATOM 0 HA2 GLY A 19 12.559 3.459 -5.215 1.00 0.00 H new ATOM 0 HA3 GLY A 19 12.603 5.180 -4.883 1.00 0.00 H new ATOM 254 N PRO A 20 10.789 3.951 -3.260 1.00 0.00 N ATOM 255 CA PRO A 20 9.617 3.804 -2.392 1.00 0.00 C ATOM 256 C PRO A 20 8.931 5.137 -2.111 1.00 0.00 C ATOM 257 O PRO A 20 9.548 6.064 -1.588 1.00 0.00 O ATOM 258 CB PRO A 20 10.201 3.221 -1.102 1.00 0.00 C ATOM 259 CG PRO A 20 11.623 3.665 -1.097 1.00 0.00 C ATOM 260 CD PRO A 20 12.049 3.707 -2.538 1.00 0.00 C ATOM 0 HA PRO A 20 8.849 3.180 -2.849 1.00 0.00 H new ATOM 0 HB2 PRO A 20 9.668 3.588 -0.225 1.00 0.00 H new ATOM 0 HB3 PRO A 20 10.125 2.134 -1.089 1.00 0.00 H new ATOM 0 HG2 PRO A 20 11.724 4.645 -0.632 1.00 0.00 H new ATOM 0 HG3 PRO A 20 12.245 2.976 -0.526 1.00 0.00 H new ATOM 0 HD2 PRO A 20 12.776 4.499 -2.719 1.00 0.00 H new ATOM 0 HD3 PRO A 20 12.514 2.771 -2.847 1.00 0.00 H new ATOM 268 N ALA A 21 7.653 5.225 -2.463 1.00 0.00 N ATOM 269 CA ALA A 21 6.883 6.444 -2.246 1.00 0.00 C ATOM 270 C ALA A 21 7.033 6.940 -0.812 1.00 0.00 C ATOM 271 O ALA A 21 6.555 6.319 0.138 1.00 0.00 O ATOM 272 CB ALA A 21 5.417 6.208 -2.575 1.00 0.00 C ATOM 0 H ALA A 21 7.129 4.467 -2.900 1.00 0.00 H new ATOM 0 HA ALA A 21 7.273 7.214 -2.911 1.00 0.00 H new ATOM 0 HB1 ALA A 21 4.854 7.127 -2.408 1.00 0.00 H new ATOM 0 HB2 ALA A 21 5.322 5.909 -3.619 1.00 0.00 H new ATOM 0 HB3 ALA A 21 5.023 5.420 -1.934 1.00 0.00 H new ATOM 278 N PRO A 22 7.712 8.085 -0.649 1.00 0.00 N ATOM 279 CA PRO A 22 7.940 8.689 0.667 1.00 0.00 C ATOM 280 C PRO A 22 6.659 9.248 1.278 1.00 0.00 C ATOM 281 O PRO A 22 5.594 9.194 0.666 1.00 0.00 O ATOM 282 CB PRO A 22 8.929 9.820 0.371 1.00 0.00 C ATOM 283 CG PRO A 22 8.694 10.164 -1.059 1.00 0.00 C ATOM 284 CD PRO A 22 8.309 8.878 -1.737 1.00 0.00 C ATOM 0 HA PRO A 22 8.307 7.962 1.392 1.00 0.00 H new ATOM 0 HB2 PRO A 22 8.754 10.679 1.019 1.00 0.00 H new ATOM 0 HB3 PRO A 22 9.958 9.500 0.537 1.00 0.00 H new ATOM 0 HG2 PRO A 22 7.904 10.908 -1.156 1.00 0.00 H new ATOM 0 HG3 PRO A 22 9.590 10.590 -1.510 1.00 0.00 H new ATOM 0 HD2 PRO A 22 7.600 9.047 -2.547 1.00 0.00 H new ATOM 0 HD3 PRO A 22 9.175 8.378 -2.171 1.00 0.00 H new ATOM 292 N ASN A 23 6.772 9.784 2.489 1.00 0.00 N ATOM 293 CA ASN A 23 5.622 10.353 3.183 1.00 0.00 C ATOM 294 C ASN A 23 4.425 9.409 3.117 1.00 0.00 C ATOM 295 O ASN A 23 3.288 9.843 2.932 1.00 0.00 O ATOM 296 CB ASN A 23 5.252 11.707 2.575 1.00 0.00 C ATOM 297 CG ASN A 23 6.423 12.670 2.552 1.00 0.00 C ATOM 298 OD1 ASN A 23 6.792 13.191 1.500 1.00 0.00 O ATOM 299 ND2 ASN A 23 7.014 12.910 3.717 1.00 0.00 N ATOM 0 H ASN A 23 7.647 9.836 3.010 1.00 0.00 H new ATOM 0 HA ASN A 23 5.894 10.494 4.229 1.00 0.00 H new ATOM 0 HB2 ASN A 23 4.887 11.558 1.559 1.00 0.00 H new ATOM 0 HB3 ASN A 23 4.434 12.147 3.146 1.00 0.00 H new ATOM 0 HD21 ASN A 23 7.808 13.549 3.764 1.00 0.00 H new ATOM 0 HD22 ASN A 23 6.674 12.455 4.565 1.00 0.00 H new ATOM 306 N LEU A 24 4.690 8.116 3.268 1.00 0.00 N ATOM 307 CA LEU A 24 3.635 7.109 3.226 1.00 0.00 C ATOM 308 C LEU A 24 2.825 7.114 4.519 1.00 0.00 C ATOM 309 O LEU A 24 3.283 6.625 5.552 1.00 0.00 O ATOM 310 CB LEU A 24 4.236 5.722 2.993 1.00 0.00 C ATOM 311 CG LEU A 24 3.239 4.567 2.891 1.00 0.00 C ATOM 312 CD1 LEU A 24 2.257 4.809 1.754 1.00 0.00 C ATOM 313 CD2 LEU A 24 3.970 3.247 2.695 1.00 0.00 C ATOM 0 H LEU A 24 5.626 7.740 3.421 1.00 0.00 H new ATOM 0 HA LEU A 24 2.967 7.353 2.400 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.822 5.752 2.075 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.929 5.507 3.807 1.00 0.00 H new ATOM 0 HG LEU A 24 2.678 4.513 3.824 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.555 3.977 1.696 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.710 5.734 1.937 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.802 4.890 0.814 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.245 2.436 2.625 1.00 0.00 H new ATOM 0 HD22 LEU A 24 4.557 3.289 1.778 1.00 0.00 H new ATOM 0 HD23 LEU A 24 4.632 3.069 3.542 1.00 0.00 H new ATOM 325 N ARG A 25 1.620 7.670 4.454 1.00 0.00 N ATOM 326 CA ARG A 25 0.746 7.738 5.619 1.00 0.00 C ATOM 327 C ARG A 25 -0.525 6.925 5.393 1.00 0.00 C ATOM 328 O ARG A 25 -0.899 6.641 4.255 1.00 0.00 O ATOM 329 CB ARG A 25 0.386 9.192 5.928 1.00 0.00 C ATOM 330 CG ARG A 25 1.568 10.143 5.844 1.00 0.00 C ATOM 331 CD ARG A 25 2.463 10.030 7.068 1.00 0.00 C ATOM 332 NE ARG A 25 1.854 10.635 8.249 1.00 0.00 N ATOM 333 CZ ARG A 25 1.928 11.931 8.532 1.00 0.00 C ATOM 334 NH1 ARG A 25 2.582 12.753 7.723 1.00 0.00 N ATOM 335 NH2 ARG A 25 1.348 12.406 9.627 1.00 0.00 N ATOM 0 H ARG A 25 1.226 8.080 3.607 1.00 0.00 H new ATOM 0 HA ARG A 25 1.281 7.315 6.469 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -0.385 9.522 5.232 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -0.043 9.246 6.929 1.00 0.00 H new ATOM 0 HG2 ARG A 25 2.148 9.926 4.947 1.00 0.00 H new ATOM 0 HG3 ARG A 25 1.206 11.167 5.750 1.00 0.00 H new ATOM 0 HD2 ARG A 25 2.674 8.979 7.267 1.00 0.00 H new ATOM 0 HD3 ARG A 25 3.418 10.514 6.865 1.00 0.00 H new ATOM 0 HE ARG A 25 1.344 10.030 8.892 1.00 0.00 H new ATOM 0 HH11 ARG A 25 3.030 12.391 6.881 1.00 0.00 H new ATOM 0 HH12 ARG A 25 2.637 13.748 7.942 1.00 0.00 H new ATOM 0 HH21 ARG A 25 0.845 11.776 10.252 1.00 0.00 H new ATOM 0 HH22 ARG A 25 1.405 13.401 9.844 1.00 0.00 H new ATOM 349 N ALA A 26 -1.186 6.553 6.485 1.00 0.00 N ATOM 350 CA ALA A 26 -2.415 5.774 6.406 1.00 0.00 C ATOM 351 C ALA A 26 -3.278 5.983 7.646 1.00 0.00 C ATOM 352 O ALA A 26 -2.812 5.817 8.774 1.00 0.00 O ATOM 353 CB ALA A 26 -2.094 4.298 6.227 1.00 0.00 C ATOM 0 H ALA A 26 -0.890 6.779 7.435 1.00 0.00 H new ATOM 0 HA ALA A 26 -2.980 6.119 5.540 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -3.021 3.728 6.170 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -1.525 4.158 5.308 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -1.505 3.948 7.075 1.00 0.00 H new ATOM 359 N TYR A 27 -4.536 6.350 7.430 1.00 0.00 N ATOM 360 CA TYR A 27 -5.463 6.585 8.531 1.00 0.00 C ATOM 361 C TYR A 27 -6.870 6.117 8.168 1.00 0.00 C ATOM 362 O TYR A 27 -7.337 6.329 7.050 1.00 0.00 O ATOM 363 CB TYR A 27 -5.486 8.070 8.898 1.00 0.00 C ATOM 364 CG TYR A 27 -5.783 8.978 7.726 1.00 0.00 C ATOM 365 CD1 TYR A 27 -7.089 9.324 7.404 1.00 0.00 C ATOM 366 CD2 TYR A 27 -4.757 9.490 6.941 1.00 0.00 C ATOM 367 CE1 TYR A 27 -7.365 10.154 6.334 1.00 0.00 C ATOM 368 CE2 TYR A 27 -5.023 10.321 5.871 1.00 0.00 C ATOM 369 CZ TYR A 27 -6.329 10.650 5.571 1.00 0.00 C ATOM 370 OH TYR A 27 -6.598 11.476 4.504 1.00 0.00 O ATOM 0 H TYR A 27 -4.937 6.491 6.503 1.00 0.00 H new ATOM 0 HA TYR A 27 -5.119 6.010 9.391 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -6.236 8.233 9.672 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -4.522 8.345 9.325 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -7.903 8.938 8.000 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -3.734 9.233 7.172 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -8.386 10.413 6.097 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -4.213 10.711 5.272 1.00 0.00 H new ATOM 0 HH TYR A 27 -5.758 11.738 4.073 1.00 0.00 H new ATOM 380 N ALA A 28 -7.539 5.481 9.124 1.00 0.00 N ATOM 381 CA ALA A 28 -8.893 4.986 8.908 1.00 0.00 C ATOM 382 C ALA A 28 -9.916 6.110 9.034 1.00 0.00 C ATOM 383 O ALA A 28 -10.217 6.567 10.136 1.00 0.00 O ATOM 384 CB ALA A 28 -9.210 3.869 9.891 1.00 0.00 C ATOM 0 H ALA A 28 -7.166 5.296 10.055 1.00 0.00 H new ATOM 0 HA ALA A 28 -8.950 4.590 7.894 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -10.224 3.509 9.718 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -8.505 3.050 9.750 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -9.128 4.247 10.910 1.00 0.00 H new ATOM 390 N ALA A 29 -10.445 6.552 7.898 1.00 0.00 N ATOM 391 CA ALA A 29 -11.435 7.622 7.882 1.00 0.00 C ATOM 392 C ALA A 29 -12.743 7.169 8.522 1.00 0.00 C ATOM 393 O ALA A 29 -13.393 7.934 9.235 1.00 0.00 O ATOM 394 CB ALA A 29 -11.679 8.094 6.456 1.00 0.00 C ATOM 0 H ALA A 29 -10.205 6.186 6.977 1.00 0.00 H new ATOM 0 HA ALA A 29 -11.044 8.454 8.467 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -12.420 8.893 6.459 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -10.747 8.466 6.031 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -12.045 7.262 5.855 1.00 0.00 H new ATOM 400 N SER A 30 -13.123 5.922 8.264 1.00 0.00 N ATOM 401 CA SER A 30 -14.356 5.369 8.812 1.00 0.00 C ATOM 402 C SER A 30 -14.161 3.915 9.229 1.00 0.00 C ATOM 403 O SER A 30 -13.202 3.252 8.833 1.00 0.00 O ATOM 404 CB SER A 30 -15.486 5.471 7.785 1.00 0.00 C ATOM 405 OG SER A 30 -16.234 6.661 7.966 1.00 0.00 O ATOM 0 H SER A 30 -12.595 5.275 7.679 1.00 0.00 H new ATOM 0 HA SER A 30 -14.624 5.949 9.695 1.00 0.00 H new ATOM 0 HB2 SER A 30 -15.069 5.449 6.778 1.00 0.00 H new ATOM 0 HB3 SER A 30 -16.144 4.607 7.877 1.00 0.00 H new ATOM 0 HG SER A 30 -16.949 6.703 7.297 1.00 0.00 H new ATOM 411 N PRO A 31 -15.093 3.405 10.047 1.00 0.00 N ATOM 412 CA PRO A 31 -15.048 2.023 10.536 1.00 0.00 C ATOM 413 C PRO A 31 -15.322 1.008 9.432 1.00 0.00 C ATOM 414 O PRO A 31 -15.356 -0.198 9.677 1.00 0.00 O ATOM 415 CB PRO A 31 -16.159 1.982 11.588 1.00 0.00 C ATOM 416 CG PRO A 31 -17.106 3.058 11.181 1.00 0.00 C ATOM 417 CD PRO A 31 -16.264 4.137 10.558 1.00 0.00 C ATOM 0 HA PRO A 31 -14.064 1.761 10.925 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -16.650 1.009 11.608 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -15.764 2.160 12.588 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -17.844 2.681 10.473 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -17.656 3.440 12.041 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -16.797 4.651 9.758 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -15.977 4.894 11.288 1.00 0.00 H new ATOM 425 N THR A 32 -15.516 1.504 8.213 1.00 0.00 N ATOM 426 CA THR A 32 -15.788 0.640 7.071 1.00 0.00 C ATOM 427 C THR A 32 -14.836 0.938 5.918 1.00 0.00 C ATOM 428 O THR A 32 -14.662 0.117 5.018 1.00 0.00 O ATOM 429 CB THR A 32 -17.238 0.800 6.578 1.00 0.00 C ATOM 430 OG1 THR A 32 -17.472 2.154 6.174 1.00 0.00 O ATOM 431 CG2 THR A 32 -18.226 0.414 7.669 1.00 0.00 C ATOM 0 H THR A 32 -15.490 2.499 7.992 1.00 0.00 H new ATOM 0 HA THR A 32 -15.638 -0.386 7.408 1.00 0.00 H new ATOM 0 HB THR A 32 -17.384 0.136 5.726 1.00 0.00 H new ATOM 0 HG1 THR A 32 -18.396 2.247 5.860 1.00 0.00 H new ATOM 0 HG21 THR A 32 -19.244 0.535 7.298 1.00 0.00 H new ATOM 0 HG22 THR A 32 -18.065 -0.626 7.954 1.00 0.00 H new ATOM 0 HG23 THR A 32 -18.078 1.056 8.538 1.00 0.00 H new ATOM 439 N SER A 33 -14.221 2.116 5.953 1.00 0.00 N ATOM 440 CA SER A 33 -13.288 2.522 4.909 1.00 0.00 C ATOM 441 C SER A 33 -11.965 2.985 5.512 1.00 0.00 C ATOM 442 O SER A 33 -11.860 3.190 6.722 1.00 0.00 O ATOM 443 CB SER A 33 -13.895 3.642 4.062 1.00 0.00 C ATOM 444 OG SER A 33 -13.677 4.909 4.659 1.00 0.00 O ATOM 0 H SER A 33 -14.352 2.806 6.693 1.00 0.00 H new ATOM 0 HA SER A 33 -13.094 1.658 4.273 1.00 0.00 H new ATOM 0 HB2 SER A 33 -13.456 3.626 3.064 1.00 0.00 H new ATOM 0 HB3 SER A 33 -14.965 3.472 3.942 1.00 0.00 H new ATOM 0 HG SER A 33 -14.073 5.608 4.097 1.00 0.00 H new ATOM 450 N ILE A 34 -10.959 3.147 4.660 1.00 0.00 N ATOM 451 CA ILE A 34 -9.643 3.586 5.108 1.00 0.00 C ATOM 452 C ILE A 34 -8.997 4.516 4.087 1.00 0.00 C ATOM 453 O ILE A 34 -9.054 4.269 2.881 1.00 0.00 O ATOM 454 CB ILE A 34 -8.706 2.390 5.362 1.00 0.00 C ATOM 455 CG1 ILE A 34 -9.243 1.527 6.506 1.00 0.00 C ATOM 456 CG2 ILE A 34 -7.299 2.876 5.673 1.00 0.00 C ATOM 457 CD1 ILE A 34 -8.578 0.173 6.605 1.00 0.00 C ATOM 0 H ILE A 34 -11.030 2.981 3.656 1.00 0.00 H new ATOM 0 HA ILE A 34 -9.792 4.125 6.044 1.00 0.00 H new ATOM 0 HB ILE A 34 -8.667 1.780 4.460 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -9.106 2.060 7.447 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -10.316 1.387 6.372 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -6.649 2.019 5.850 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.918 3.452 4.830 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -7.320 3.506 6.563 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -9.008 -0.384 7.437 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -8.737 -0.379 5.679 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -7.509 0.304 6.770 1.00 0.00 H new ATOM 469 N THR A 35 -8.380 5.587 4.576 1.00 0.00 N ATOM 470 CA THR A 35 -7.722 6.554 3.707 1.00 0.00 C ATOM 471 C THR A 35 -6.208 6.376 3.733 1.00 0.00 C ATOM 472 O THR A 35 -5.614 6.178 4.794 1.00 0.00 O ATOM 473 CB THR A 35 -8.064 7.999 4.114 1.00 0.00 C ATOM 474 OG1 THR A 35 -9.480 8.203 4.053 1.00 0.00 O ATOM 475 CG2 THR A 35 -7.363 8.998 3.206 1.00 0.00 C ATOM 0 H THR A 35 -8.322 5.807 5.570 1.00 0.00 H new ATOM 0 HA THR A 35 -8.089 6.372 2.697 1.00 0.00 H new ATOM 0 HB THR A 35 -7.718 8.156 5.136 1.00 0.00 H new ATOM 0 HG1 THR A 35 -9.678 9.157 4.158 1.00 0.00 H new ATOM 0 HG21 THR A 35 -7.620 10.012 3.513 1.00 0.00 H new ATOM 0 HG22 THR A 35 -6.284 8.860 3.277 1.00 0.00 H new ATOM 0 HG23 THR A 35 -7.682 8.839 2.176 1.00 0.00 H new ATOM 483 N VAL A 36 -5.588 6.448 2.560 1.00 0.00 N ATOM 484 CA VAL A 36 -4.142 6.296 2.449 1.00 0.00 C ATOM 485 C VAL A 36 -3.543 7.377 1.556 1.00 0.00 C ATOM 486 O VAL A 36 -3.980 7.575 0.422 1.00 0.00 O ATOM 487 CB VAL A 36 -3.764 4.913 1.885 1.00 0.00 C ATOM 488 CG1 VAL A 36 -2.254 4.729 1.889 1.00 0.00 C ATOM 489 CG2 VAL A 36 -4.447 3.810 2.680 1.00 0.00 C ATOM 0 H VAL A 36 -6.064 6.611 1.673 1.00 0.00 H new ATOM 0 HA VAL A 36 -3.736 6.393 3.456 1.00 0.00 H new ATOM 0 HB VAL A 36 -4.110 4.853 0.853 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -2.006 3.747 1.487 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -1.792 5.500 1.273 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.881 4.808 2.910 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -4.169 2.840 2.269 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -4.133 3.865 3.722 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -5.528 3.934 2.619 1.00 0.00 H new ATOM 499 N THR A 37 -2.538 8.076 2.075 1.00 0.00 N ATOM 500 CA THR A 37 -1.878 9.138 1.326 1.00 0.00 C ATOM 501 C THR A 37 -0.375 8.899 1.241 1.00 0.00 C ATOM 502 O THR A 37 0.276 8.619 2.247 1.00 0.00 O ATOM 503 CB THR A 37 -2.132 10.517 1.965 1.00 0.00 C ATOM 504 OG1 THR A 37 -1.517 10.579 3.257 1.00 0.00 O ATOM 505 CG2 THR A 37 -3.623 10.787 2.095 1.00 0.00 C ATOM 0 H THR A 37 -2.163 7.925 3.012 1.00 0.00 H new ATOM 0 HA THR A 37 -2.302 9.127 0.322 1.00 0.00 H new ATOM 0 HB THR A 37 -1.696 11.278 1.318 1.00 0.00 H new ATOM 0 HG1 THR A 37 -1.681 11.459 3.656 1.00 0.00 H new ATOM 0 HG21 THR A 37 -3.777 11.766 2.549 1.00 0.00 H new ATOM 0 HG22 THR A 37 -4.084 10.768 1.107 1.00 0.00 H new ATOM 0 HG23 THR A 37 -4.078 10.021 2.722 1.00 0.00 H new ATOM 513 N TRP A 38 0.169 9.012 0.035 1.00 0.00 N ATOM 514 CA TRP A 38 1.597 8.809 -0.181 1.00 0.00 C ATOM 515 C TRP A 38 2.175 9.906 -1.068 1.00 0.00 C ATOM 516 O TRP A 38 1.435 10.674 -1.682 1.00 0.00 O ATOM 517 CB TRP A 38 1.848 7.439 -0.815 1.00 0.00 C ATOM 518 CG TRP A 38 1.157 7.259 -2.132 1.00 0.00 C ATOM 519 CD1 TRP A 38 1.625 7.629 -3.361 1.00 0.00 C ATOM 520 CD2 TRP A 38 -0.127 6.665 -2.352 1.00 0.00 C ATOM 521 NE1 TRP A 38 0.709 7.301 -4.331 1.00 0.00 N ATOM 522 CE2 TRP A 38 -0.374 6.708 -3.738 1.00 0.00 C ATOM 523 CE3 TRP A 38 -1.092 6.100 -1.513 1.00 0.00 C ATOM 524 CZ2 TRP A 38 -1.545 6.208 -4.301 1.00 0.00 C ATOM 525 CZ3 TRP A 38 -2.254 5.605 -2.074 1.00 0.00 C ATOM 526 CH2 TRP A 38 -2.472 5.660 -3.457 1.00 0.00 C ATOM 0 H TRP A 38 -0.357 9.243 -0.808 1.00 0.00 H new ATOM 0 HA TRP A 38 2.095 8.851 0.788 1.00 0.00 H new ATOM 0 HB2 TRP A 38 2.920 7.302 -0.954 1.00 0.00 H new ATOM 0 HB3 TRP A 38 1.513 6.662 -0.128 1.00 0.00 H new ATOM 0 HD1 TRP A 38 2.575 8.109 -3.543 1.00 0.00 H new ATOM 0 HE1 TRP A 38 0.818 7.471 -5.331 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -0.932 6.051 -0.446 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -1.716 6.251 -5.367 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -3.007 5.168 -1.435 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -3.390 5.262 -3.865 1.00 0.00 H new ATOM 537 N GLU A 39 3.502 9.974 -1.130 1.00 0.00 N ATOM 538 CA GLU A 39 4.178 10.979 -1.942 1.00 0.00 C ATOM 539 C GLU A 39 5.036 10.321 -3.019 1.00 0.00 C ATOM 540 O GLU A 39 5.312 9.122 -2.963 1.00 0.00 O ATOM 541 CB GLU A 39 5.047 11.878 -1.060 1.00 0.00 C ATOM 542 CG GLU A 39 4.266 12.969 -0.347 1.00 0.00 C ATOM 543 CD GLU A 39 3.768 14.044 -1.294 1.00 0.00 C ATOM 544 OE1 GLU A 39 4.561 14.504 -2.141 1.00 0.00 O ATOM 545 OE2 GLU A 39 2.583 14.424 -1.187 1.00 0.00 O ATOM 0 H GLU A 39 4.129 9.345 -0.628 1.00 0.00 H new ATOM 0 HA GLU A 39 3.417 11.587 -2.430 1.00 0.00 H new ATOM 0 HB2 GLU A 39 5.555 11.263 -0.318 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.820 12.339 -1.675 1.00 0.00 H new ATOM 0 HG2 GLU A 39 3.416 12.523 0.170 1.00 0.00 H new ATOM 0 HG3 GLU A 39 4.899 13.425 0.414 1.00 0.00 H new ATOM 552 N THR A 40 5.454 11.114 -4.000 1.00 0.00 N ATOM 553 CA THR A 40 6.279 10.611 -5.091 1.00 0.00 C ATOM 554 C THR A 40 7.756 10.628 -4.717 1.00 0.00 C ATOM 555 O THR A 40 8.278 11.614 -4.197 1.00 0.00 O ATOM 556 CB THR A 40 6.077 11.436 -6.375 1.00 0.00 C ATOM 557 OG1 THR A 40 4.715 11.343 -6.809 1.00 0.00 O ATOM 558 CG2 THR A 40 7.001 10.951 -7.482 1.00 0.00 C ATOM 0 H THR A 40 5.235 12.108 -4.061 1.00 0.00 H new ATOM 0 HA THR A 40 5.966 9.583 -5.275 1.00 0.00 H new ATOM 0 HB THR A 40 6.317 12.476 -6.153 1.00 0.00 H new ATOM 0 HG1 THR A 40 4.125 11.698 -6.112 1.00 0.00 H new ATOM 0 HG21 THR A 40 6.840 11.549 -8.379 1.00 0.00 H new ATOM 0 HG22 THR A 40 8.038 11.051 -7.161 1.00 0.00 H new ATOM 0 HG23 THR A 40 6.789 9.905 -7.701 1.00 0.00 H new ATOM 566 N PRO A 41 8.449 9.512 -4.987 1.00 0.00 N ATOM 567 CA PRO A 41 9.878 9.374 -4.687 1.00 0.00 C ATOM 568 C PRO A 41 10.745 10.248 -5.587 1.00 0.00 C ATOM 569 O PRO A 41 10.832 10.019 -6.794 1.00 0.00 O ATOM 570 CB PRO A 41 10.155 7.892 -4.952 1.00 0.00 C ATOM 571 CG PRO A 41 9.111 7.481 -5.932 1.00 0.00 C ATOM 572 CD PRO A 41 7.891 8.297 -5.605 1.00 0.00 C ATOM 0 HA PRO A 41 10.114 9.690 -3.671 1.00 0.00 H new ATOM 0 HB2 PRO A 41 11.157 7.742 -5.355 1.00 0.00 H new ATOM 0 HB3 PRO A 41 10.089 7.307 -4.035 1.00 0.00 H new ATOM 0 HG2 PRO A 41 9.441 7.666 -6.954 1.00 0.00 H new ATOM 0 HG3 PRO A 41 8.900 6.415 -5.853 1.00 0.00 H new ATOM 0 HD2 PRO A 41 7.312 8.530 -6.499 1.00 0.00 H new ATOM 0 HD3 PRO A 41 7.225 7.769 -4.923 1.00 0.00 H new ATOM 580 N VAL A 42 11.387 11.248 -4.993 1.00 0.00 N ATOM 581 CA VAL A 42 12.249 12.155 -5.741 1.00 0.00 C ATOM 582 C VAL A 42 13.339 11.390 -6.484 1.00 0.00 C ATOM 583 O VAL A 42 13.845 11.848 -7.508 1.00 0.00 O ATOM 584 CB VAL A 42 12.908 13.195 -4.815 1.00 0.00 C ATOM 585 CG1 VAL A 42 11.851 13.954 -4.027 1.00 0.00 C ATOM 586 CG2 VAL A 42 13.901 12.522 -3.880 1.00 0.00 C ATOM 0 H VAL A 42 11.327 11.451 -3.995 1.00 0.00 H new ATOM 0 HA VAL A 42 11.615 12.671 -6.462 1.00 0.00 H new ATOM 0 HB VAL A 42 13.452 13.911 -5.431 1.00 0.00 H new ATOM 0 HG11 VAL A 42 12.335 14.684 -3.378 1.00 0.00 H new ATOM 0 HG12 VAL A 42 11.182 14.469 -4.717 1.00 0.00 H new ATOM 0 HG13 VAL A 42 11.277 13.254 -3.420 1.00 0.00 H new ATOM 0 HG21 VAL A 42 14.357 13.271 -3.233 1.00 0.00 H new ATOM 0 HG22 VAL A 42 13.382 11.783 -3.269 1.00 0.00 H new ATOM 0 HG23 VAL A 42 14.676 12.029 -4.466 1.00 0.00 H new ATOM 596 N SER A 43 13.694 10.221 -5.961 1.00 0.00 N ATOM 597 CA SER A 43 14.727 9.392 -6.572 1.00 0.00 C ATOM 598 C SER A 43 14.128 8.472 -7.631 1.00 0.00 C ATOM 599 O SER A 43 13.627 7.392 -7.320 1.00 0.00 O ATOM 600 CB SER A 43 15.443 8.562 -5.505 1.00 0.00 C ATOM 601 OG SER A 43 16.715 8.134 -5.961 1.00 0.00 O ATOM 0 H SER A 43 13.282 9.826 -5.116 1.00 0.00 H new ATOM 0 HA SER A 43 15.449 10.051 -7.054 1.00 0.00 H new ATOM 0 HB2 SER A 43 15.559 9.153 -4.597 1.00 0.00 H new ATOM 0 HB3 SER A 43 14.835 7.695 -5.246 1.00 0.00 H new ATOM 0 HG SER A 43 17.153 7.607 -5.261 1.00 0.00 H new ATOM 607 N GLY A 44 14.183 8.908 -8.886 1.00 0.00 N ATOM 608 CA GLY A 44 13.642 8.113 -9.973 1.00 0.00 C ATOM 609 C GLY A 44 14.329 8.394 -11.294 1.00 0.00 C ATOM 610 O GLY A 44 15.198 9.261 -11.378 1.00 0.00 O ATOM 0 H GLY A 44 14.593 9.798 -9.169 1.00 0.00 H new ATOM 0 HA2 GLY A 44 13.745 7.055 -9.731 1.00 0.00 H new ATOM 0 HA3 GLY A 44 12.575 8.315 -10.071 1.00 0.00 H new ATOM 614 N ASN A 45 13.940 7.658 -12.330 1.00 0.00 N ATOM 615 CA ASN A 45 14.526 7.832 -13.655 1.00 0.00 C ATOM 616 C ASN A 45 13.494 8.374 -14.639 1.00 0.00 C ATOM 617 O ASN A 45 13.697 9.420 -15.254 1.00 0.00 O ATOM 618 CB ASN A 45 15.086 6.503 -14.165 1.00 0.00 C ATOM 619 CG ASN A 45 16.321 6.065 -13.402 1.00 0.00 C ATOM 620 OD1 ASN A 45 17.428 6.533 -13.669 1.00 0.00 O ATOM 621 ND2 ASN A 45 16.136 5.161 -12.447 1.00 0.00 N ATOM 0 H ASN A 45 13.222 6.936 -12.278 1.00 0.00 H new ATOM 0 HA ASN A 45 15.339 8.554 -13.575 1.00 0.00 H new ATOM 0 HB2 ASN A 45 14.319 5.733 -14.082 1.00 0.00 H new ATOM 0 HB3 ASN A 45 15.330 6.597 -15.223 1.00 0.00 H new ATOM 0 HD21 ASN A 45 16.930 4.827 -11.900 1.00 0.00 H new ATOM 0 HD22 ASN A 45 15.200 4.801 -12.260 1.00 0.00 H new ATOM 628 N GLY A 46 12.385 7.654 -14.783 1.00 0.00 N ATOM 629 CA GLY A 46 11.338 8.078 -15.693 1.00 0.00 C ATOM 630 C GLY A 46 10.128 8.632 -14.968 1.00 0.00 C ATOM 631 O GLY A 46 10.089 8.651 -13.738 1.00 0.00 O ATOM 0 H GLY A 46 12.194 6.785 -14.285 1.00 0.00 H new ATOM 0 HA2 GLY A 46 11.733 8.838 -16.367 1.00 0.00 H new ATOM 0 HA3 GLY A 46 11.033 7.233 -16.309 1.00 0.00 H new ATOM 635 N GLU A 47 9.139 9.087 -15.731 1.00 0.00 N ATOM 636 CA GLU A 47 7.924 9.647 -15.151 1.00 0.00 C ATOM 637 C GLU A 47 6.923 8.545 -14.816 1.00 0.00 C ATOM 638 O GLU A 47 6.505 7.785 -15.691 1.00 0.00 O ATOM 639 CB GLU A 47 7.289 10.652 -16.115 1.00 0.00 C ATOM 640 CG GLU A 47 6.223 11.522 -15.471 1.00 0.00 C ATOM 641 CD GLU A 47 5.662 12.559 -16.425 1.00 0.00 C ATOM 642 OE1 GLU A 47 5.073 12.165 -17.453 1.00 0.00 O ATOM 643 OE2 GLU A 47 5.813 13.767 -16.143 1.00 0.00 O ATOM 0 H GLU A 47 9.155 9.079 -16.751 1.00 0.00 H new ATOM 0 HA GLU A 47 8.195 10.160 -14.228 1.00 0.00 H new ATOM 0 HB2 GLU A 47 8.070 11.292 -16.525 1.00 0.00 H new ATOM 0 HB3 GLU A 47 6.848 10.111 -16.952 1.00 0.00 H new ATOM 0 HG2 GLU A 47 5.412 10.889 -15.110 1.00 0.00 H new ATOM 0 HG3 GLU A 47 6.646 12.025 -14.601 1.00 0.00 H new ATOM 650 N ILE A 48 6.543 8.465 -13.545 1.00 0.00 N ATOM 651 CA ILE A 48 5.592 7.457 -13.095 1.00 0.00 C ATOM 652 C ILE A 48 4.374 7.402 -14.012 1.00 0.00 C ATOM 653 O ILE A 48 3.965 8.415 -14.577 1.00 0.00 O ATOM 654 CB ILE A 48 5.122 7.730 -11.654 1.00 0.00 C ATOM 655 CG1 ILE A 48 6.320 7.766 -10.702 1.00 0.00 C ATOM 656 CG2 ILE A 48 4.121 6.673 -11.214 1.00 0.00 C ATOM 657 CD1 ILE A 48 7.137 6.493 -10.711 1.00 0.00 C ATOM 0 H ILE A 48 6.879 9.086 -12.809 1.00 0.00 H new ATOM 0 HA ILE A 48 6.111 6.499 -13.125 1.00 0.00 H new ATOM 0 HB ILE A 48 4.630 8.702 -11.626 1.00 0.00 H new ATOM 0 HG12 ILE A 48 6.964 8.603 -10.972 1.00 0.00 H new ATOM 0 HG13 ILE A 48 5.963 7.952 -9.689 1.00 0.00 H new ATOM 0 HG21 ILE A 48 3.798 6.880 -10.194 1.00 0.00 H new ATOM 0 HG22 ILE A 48 3.257 6.691 -11.878 1.00 0.00 H new ATOM 0 HG23 ILE A 48 4.589 5.689 -11.254 1.00 0.00 H new ATOM 0 HD11 ILE A 48 7.969 6.590 -10.013 1.00 0.00 H new ATOM 0 HD12 ILE A 48 6.508 5.655 -10.411 1.00 0.00 H new ATOM 0 HD13 ILE A 48 7.524 6.316 -11.715 1.00 0.00 H new ATOM 669 N GLN A 49 3.800 6.211 -14.153 1.00 0.00 N ATOM 670 CA GLN A 49 2.629 6.024 -15.001 1.00 0.00 C ATOM 671 C GLN A 49 1.387 5.748 -14.160 1.00 0.00 C ATOM 672 O GLN A 49 0.370 6.426 -14.295 1.00 0.00 O ATOM 673 CB GLN A 49 2.861 4.874 -15.982 1.00 0.00 C ATOM 674 CG GLN A 49 4.011 5.119 -16.945 1.00 0.00 C ATOM 675 CD GLN A 49 3.854 4.358 -18.247 1.00 0.00 C ATOM 676 OE1 GLN A 49 3.314 3.251 -18.271 1.00 0.00 O ATOM 677 NE2 GLN A 49 4.327 4.947 -19.339 1.00 0.00 N ATOM 0 H GLN A 49 4.127 5.362 -13.691 1.00 0.00 H new ATOM 0 HA GLN A 49 2.468 6.944 -15.563 1.00 0.00 H new ATOM 0 HB2 GLN A 49 3.057 3.961 -15.419 1.00 0.00 H new ATOM 0 HB3 GLN A 49 1.949 4.706 -16.554 1.00 0.00 H new ATOM 0 HG2 GLN A 49 4.080 6.186 -17.158 1.00 0.00 H new ATOM 0 HG3 GLN A 49 4.947 4.827 -16.469 1.00 0.00 H new ATOM 0 HE21 GLN A 49 4.767 5.865 -19.273 1.00 0.00 H new ATOM 0 HE22 GLN A 49 4.250 4.482 -20.243 1.00 0.00 H new ATOM 686 N ASN A 50 1.478 4.746 -13.291 1.00 0.00 N ATOM 687 CA ASN A 50 0.360 4.379 -12.428 1.00 0.00 C ATOM 688 C ASN A 50 0.856 3.936 -11.055 1.00 0.00 C ATOM 689 O ASN A 50 1.965 3.416 -10.921 1.00 0.00 O ATOM 690 CB ASN A 50 -0.462 3.260 -13.071 1.00 0.00 C ATOM 691 CG ASN A 50 0.371 2.028 -13.368 1.00 0.00 C ATOM 692 OD1 ASN A 50 1.204 2.032 -14.274 1.00 0.00 O ATOM 693 ND2 ASN A 50 0.149 0.966 -12.603 1.00 0.00 N ATOM 0 H ASN A 50 2.313 4.174 -13.166 1.00 0.00 H new ATOM 0 HA ASN A 50 -0.272 5.258 -12.301 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -1.283 2.989 -12.407 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -0.907 3.626 -13.996 1.00 0.00 H new ATOM 0 HD21 ASN A 50 0.679 0.108 -12.755 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -0.552 1.008 -11.863 1.00 0.00 H new ATOM 700 N TYR A 51 0.028 4.145 -10.037 1.00 0.00 N ATOM 701 CA TYR A 51 0.383 3.769 -8.674 1.00 0.00 C ATOM 702 C TYR A 51 -0.473 2.601 -8.191 1.00 0.00 C ATOM 703 O TYR A 51 -1.693 2.717 -8.074 1.00 0.00 O ATOM 704 CB TYR A 51 0.214 4.963 -7.733 1.00 0.00 C ATOM 705 CG TYR A 51 1.420 5.874 -7.689 1.00 0.00 C ATOM 706 CD1 TYR A 51 2.673 5.383 -7.343 1.00 0.00 C ATOM 707 CD2 TYR A 51 1.307 7.225 -7.991 1.00 0.00 C ATOM 708 CE1 TYR A 51 3.778 6.211 -7.301 1.00 0.00 C ATOM 709 CE2 TYR A 51 2.406 8.060 -7.953 1.00 0.00 C ATOM 710 CZ TYR A 51 3.639 7.549 -7.607 1.00 0.00 C ATOM 711 OH TYR A 51 4.737 8.378 -7.566 1.00 0.00 O ATOM 0 H TYR A 51 -0.893 4.573 -10.130 1.00 0.00 H new ATOM 0 HA TYR A 51 1.427 3.457 -8.670 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -0.656 5.541 -8.045 1.00 0.00 H new ATOM 0 HB3 TYR A 51 0.009 4.596 -6.727 1.00 0.00 H new ATOM 0 HD1 TYR A 51 2.785 4.336 -7.103 1.00 0.00 H new ATOM 0 HD2 TYR A 51 0.343 7.630 -8.260 1.00 0.00 H new ATOM 0 HE1 TYR A 51 4.745 5.813 -7.030 1.00 0.00 H new ATOM 0 HE2 TYR A 51 2.300 9.108 -8.193 1.00 0.00 H new ATOM 0 HH TYR A 51 4.458 9.278 -7.295 1.00 0.00 H new ATOM 721 N LYS A 52 0.176 1.477 -7.910 1.00 0.00 N ATOM 722 CA LYS A 52 -0.522 0.287 -7.437 1.00 0.00 C ATOM 723 C LYS A 52 -0.591 0.266 -5.914 1.00 0.00 C ATOM 724 O LYS A 52 0.437 0.234 -5.236 1.00 0.00 O ATOM 725 CB LYS A 52 0.179 -0.975 -7.944 1.00 0.00 C ATOM 726 CG LYS A 52 -0.673 -2.228 -7.837 1.00 0.00 C ATOM 727 CD LYS A 52 -0.053 -3.391 -8.595 1.00 0.00 C ATOM 728 CE LYS A 52 -0.578 -3.469 -10.020 1.00 0.00 C ATOM 729 NZ LYS A 52 0.300 -2.738 -10.976 1.00 0.00 N ATOM 0 H LYS A 52 1.186 1.365 -8.002 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.539 0.313 -7.828 1.00 0.00 H new ATOM 0 HB2 LYS A 52 0.465 -0.828 -8.985 1.00 0.00 H new ATOM 0 HB3 LYS A 52 1.099 -1.122 -7.378 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -0.793 -2.499 -6.788 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -1.669 -2.026 -8.230 1.00 0.00 H new ATOM 0 HD2 LYS A 52 1.031 -3.280 -8.611 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -0.270 -4.324 -8.074 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -0.654 -4.513 -10.322 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -1.584 -3.052 -10.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 0.328 -3.248 -11.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -0.075 -1.780 -11.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 1.262 -2.674 -10.585 1.00 0.00 H new ATOM 743 N LEU A 53 -1.808 0.283 -5.381 1.00 0.00 N ATOM 744 CA LEU A 53 -2.011 0.265 -3.936 1.00 0.00 C ATOM 745 C LEU A 53 -2.698 -1.025 -3.500 1.00 0.00 C ATOM 746 O LEU A 53 -3.867 -1.254 -3.811 1.00 0.00 O ATOM 747 CB LEU A 53 -2.844 1.472 -3.503 1.00 0.00 C ATOM 748 CG LEU A 53 -3.579 1.337 -2.169 1.00 0.00 C ATOM 749 CD1 LEU A 53 -2.590 1.312 -1.015 1.00 0.00 C ATOM 750 CD2 LEU A 53 -4.578 2.471 -1.993 1.00 0.00 C ATOM 0 H LEU A 53 -2.669 0.309 -5.927 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.034 0.315 -3.455 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.187 2.340 -3.447 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.579 1.679 -4.281 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.127 0.395 -2.172 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.131 1.215 -0.074 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.914 0.465 -1.133 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.014 2.238 -1.009 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -5.092 2.358 -1.038 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.052 3.425 -2.012 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.307 2.443 -2.803 1.00 0.00 H new ATOM 762 N TYR A 54 -1.966 -1.863 -2.775 1.00 0.00 N ATOM 763 CA TYR A 54 -2.505 -3.130 -2.296 1.00 0.00 C ATOM 764 C TYR A 54 -3.227 -2.946 -0.964 1.00 0.00 C ATOM 765 O TYR A 54 -2.860 -2.090 -0.159 1.00 0.00 O ATOM 766 CB TYR A 54 -1.384 -4.160 -2.142 1.00 0.00 C ATOM 767 CG TYR A 54 -0.603 -4.399 -3.415 1.00 0.00 C ATOM 768 CD1 TYR A 54 0.296 -3.452 -3.890 1.00 0.00 C ATOM 769 CD2 TYR A 54 -0.763 -5.573 -4.141 1.00 0.00 C ATOM 770 CE1 TYR A 54 1.011 -3.666 -5.052 1.00 0.00 C ATOM 771 CE2 TYR A 54 -0.051 -5.796 -5.304 1.00 0.00 C ATOM 772 CZ TYR A 54 0.834 -4.839 -5.756 1.00 0.00 C ATOM 773 OH TYR A 54 1.545 -5.057 -6.913 1.00 0.00 O ATOM 0 H TYR A 54 -0.998 -1.688 -2.506 1.00 0.00 H new ATOM 0 HA TYR A 54 -3.223 -3.491 -3.032 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -0.699 -3.826 -1.363 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -1.813 -5.104 -1.806 1.00 0.00 H new ATOM 0 HD1 TYR A 54 0.438 -2.533 -3.341 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -1.456 -6.324 -3.790 1.00 0.00 H new ATOM 0 HE1 TYR A 54 1.705 -2.919 -5.408 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -0.187 -6.714 -5.856 1.00 0.00 H new ATOM 0 HH TYR A 54 1.304 -5.931 -7.285 1.00 0.00 H new ATOM 783 N TYR A 55 -4.255 -3.756 -0.740 1.00 0.00 N ATOM 784 CA TYR A 55 -5.031 -3.683 0.492 1.00 0.00 C ATOM 785 C TYR A 55 -5.600 -5.050 0.860 1.00 0.00 C ATOM 786 O TYR A 55 -6.277 -5.690 0.056 1.00 0.00 O ATOM 787 CB TYR A 55 -6.167 -2.669 0.345 1.00 0.00 C ATOM 788 CG TYR A 55 -7.315 -3.164 -0.505 1.00 0.00 C ATOM 789 CD1 TYR A 55 -7.180 -3.296 -1.881 1.00 0.00 C ATOM 790 CD2 TYR A 55 -8.535 -3.500 0.069 1.00 0.00 C ATOM 791 CE1 TYR A 55 -8.227 -3.748 -2.662 1.00 0.00 C ATOM 792 CE2 TYR A 55 -9.587 -3.954 -0.703 1.00 0.00 C ATOM 793 CZ TYR A 55 -9.428 -4.076 -2.068 1.00 0.00 C ATOM 794 OH TYR A 55 -10.473 -4.527 -2.841 1.00 0.00 O ATOM 0 H TYR A 55 -4.571 -4.471 -1.395 1.00 0.00 H new ATOM 0 HA TYR A 55 -4.365 -3.359 1.292 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -6.544 -2.412 1.335 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -5.771 -1.753 -0.093 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -6.241 -3.041 -2.349 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -8.663 -3.405 1.137 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -8.106 -3.844 -3.731 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -10.528 -4.212 -0.241 1.00 0.00 H new ATOM 0 HH TYR A 55 -10.520 -5.505 -2.790 1.00 0.00 H new ATOM 804 N MET A 56 -5.320 -5.490 2.082 1.00 0.00 N ATOM 805 CA MET A 56 -5.805 -6.780 2.559 1.00 0.00 C ATOM 806 C MET A 56 -5.916 -6.791 4.080 1.00 0.00 C ATOM 807 O MET A 56 -5.329 -5.950 4.760 1.00 0.00 O ATOM 808 CB MET A 56 -4.874 -7.902 2.096 1.00 0.00 C ATOM 809 CG MET A 56 -3.781 -8.237 3.098 1.00 0.00 C ATOM 810 SD MET A 56 -2.438 -9.193 2.367 1.00 0.00 S ATOM 811 CE MET A 56 -2.002 -10.265 3.733 1.00 0.00 C ATOM 0 H MET A 56 -4.760 -4.973 2.760 1.00 0.00 H new ATOM 0 HA MET A 56 -6.797 -6.944 2.139 1.00 0.00 H new ATOM 0 HB2 MET A 56 -5.465 -8.797 1.903 1.00 0.00 H new ATOM 0 HB3 MET A 56 -4.413 -7.614 1.151 1.00 0.00 H new ATOM 0 HG2 MET A 56 -3.379 -7.313 3.514 1.00 0.00 H new ATOM 0 HG3 MET A 56 -4.213 -8.799 3.926 1.00 0.00 H new ATOM 0 HE1 MET A 56 -1.443 -11.122 3.359 1.00 0.00 H new ATOM 0 HE2 MET A 56 -1.388 -9.715 4.446 1.00 0.00 H new ATOM 0 HE3 MET A 56 -2.909 -10.612 4.227 1.00 0.00 H new ATOM 821 N GLU A 57 -6.672 -7.749 4.607 1.00 0.00 N ATOM 822 CA GLU A 57 -6.860 -7.868 6.049 1.00 0.00 C ATOM 823 C GLU A 57 -5.738 -8.689 6.678 1.00 0.00 C ATOM 824 O GLU A 57 -5.377 -9.755 6.177 1.00 0.00 O ATOM 825 CB GLU A 57 -8.213 -8.510 6.358 1.00 0.00 C ATOM 826 CG GLU A 57 -8.361 -8.951 7.805 1.00 0.00 C ATOM 827 CD GLU A 57 -9.577 -9.830 8.025 1.00 0.00 C ATOM 828 OE1 GLU A 57 -10.577 -9.651 7.300 1.00 0.00 O ATOM 829 OE2 GLU A 57 -9.528 -10.697 8.923 1.00 0.00 O ATOM 0 H GLU A 57 -7.164 -8.454 4.058 1.00 0.00 H new ATOM 0 HA GLU A 57 -6.836 -6.866 6.477 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -9.005 -7.800 6.120 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -8.353 -9.373 5.708 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -7.466 -9.493 8.109 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -8.433 -8.071 8.444 1.00 0.00 H new ATOM 836 N LYS A 58 -5.190 -8.187 7.779 1.00 0.00 N ATOM 837 CA LYS A 58 -4.110 -8.872 8.478 1.00 0.00 C ATOM 838 C LYS A 58 -4.522 -10.292 8.856 1.00 0.00 C ATOM 839 O LYS A 58 -5.220 -10.504 9.846 1.00 0.00 O ATOM 840 CB LYS A 58 -3.714 -8.094 9.735 1.00 0.00 C ATOM 841 CG LYS A 58 -2.246 -8.236 10.100 1.00 0.00 C ATOM 842 CD LYS A 58 -1.413 -7.111 9.508 1.00 0.00 C ATOM 843 CE LYS A 58 -0.844 -7.495 8.151 1.00 0.00 C ATOM 844 NZ LYS A 58 0.147 -8.601 8.258 1.00 0.00 N ATOM 0 H LYS A 58 -5.477 -7.307 8.207 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.253 -8.927 7.807 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -3.942 -7.039 9.586 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -4.323 -8.437 10.572 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -2.138 -8.238 11.185 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -1.872 -9.195 9.741 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -2.027 -6.216 9.406 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -0.598 -6.863 10.188 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -1.656 -7.797 7.489 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -0.370 -6.625 7.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 0.824 -8.538 7.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 0.658 -8.523 9.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -0.347 -9.515 8.218 1.00 0.00 H new ATOM 858 N GLY A 59 -4.083 -11.262 8.059 1.00 0.00 N ATOM 859 CA GLY A 59 -4.414 -12.649 8.328 1.00 0.00 C ATOM 860 C GLY A 59 -5.333 -13.239 7.276 1.00 0.00 C ATOM 861 O GLY A 59 -6.284 -13.952 7.600 1.00 0.00 O ATOM 0 H GLY A 59 -3.504 -11.112 7.232 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -3.497 -13.236 8.375 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -4.891 -12.723 9.305 1.00 0.00 H new ATOM 865 N THR A 60 -5.051 -12.942 6.012 1.00 0.00 N ATOM 866 CA THR A 60 -5.860 -13.446 4.909 1.00 0.00 C ATOM 867 C THR A 60 -4.991 -14.110 3.848 1.00 0.00 C ATOM 868 O THR A 60 -5.363 -15.139 3.282 1.00 0.00 O ATOM 869 CB THR A 60 -6.680 -12.319 4.254 1.00 0.00 C ATOM 870 OG1 THR A 60 -7.060 -11.352 5.239 1.00 0.00 O ATOM 871 CG2 THR A 60 -7.923 -12.877 3.577 1.00 0.00 C ATOM 0 H THR A 60 -4.268 -12.354 5.726 1.00 0.00 H new ATOM 0 HA THR A 60 -6.542 -14.185 5.329 1.00 0.00 H new ATOM 0 HB THR A 60 -6.058 -11.840 3.498 1.00 0.00 H new ATOM 0 HG1 THR A 60 -6.443 -10.591 5.205 1.00 0.00 H new ATOM 0 HG21 THR A 60 -8.486 -12.062 3.122 1.00 0.00 H new ATOM 0 HG22 THR A 60 -7.629 -13.590 2.807 1.00 0.00 H new ATOM 0 HG23 THR A 60 -8.546 -13.379 4.317 1.00 0.00 H new ATOM 879 N ASP A 61 -3.833 -13.517 3.582 1.00 0.00 N ATOM 880 CA ASP A 61 -2.909 -14.053 2.589 1.00 0.00 C ATOM 881 C ASP A 61 -3.484 -13.916 1.183 1.00 0.00 C ATOM 882 O ASP A 61 -3.167 -14.704 0.291 1.00 0.00 O ATOM 883 CB ASP A 61 -2.602 -15.521 2.887 1.00 0.00 C ATOM 884 CG ASP A 61 -1.453 -16.053 2.053 1.00 0.00 C ATOM 885 OD1 ASP A 61 -0.298 -15.654 2.310 1.00 0.00 O ATOM 886 OD2 ASP A 61 -1.710 -16.870 1.144 1.00 0.00 O ATOM 0 H ASP A 61 -3.511 -12.664 4.040 1.00 0.00 H new ATOM 0 HA ASP A 61 -1.984 -13.479 2.642 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -2.361 -15.631 3.944 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -3.492 -16.121 2.698 1.00 0.00 H new ATOM 891 N LYS A 62 -4.332 -12.912 0.991 1.00 0.00 N ATOM 892 CA LYS A 62 -4.952 -12.670 -0.306 1.00 0.00 C ATOM 893 C LYS A 62 -4.866 -11.195 -0.684 1.00 0.00 C ATOM 894 O LYS A 62 -5.887 -10.525 -0.842 1.00 0.00 O ATOM 895 CB LYS A 62 -6.415 -13.118 -0.286 1.00 0.00 C ATOM 896 CG LYS A 62 -6.613 -14.570 -0.686 1.00 0.00 C ATOM 897 CD LYS A 62 -6.408 -14.770 -2.179 1.00 0.00 C ATOM 898 CE LYS A 62 -6.673 -16.210 -2.589 1.00 0.00 C ATOM 899 NZ LYS A 62 -8.129 -16.525 -2.601 1.00 0.00 N ATOM 0 H LYS A 62 -4.606 -12.252 1.718 1.00 0.00 H new ATOM 0 HA LYS A 62 -4.411 -13.250 -1.053 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -6.818 -12.968 0.715 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -6.990 -12.483 -0.960 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -5.914 -15.199 -0.134 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -7.617 -14.891 -0.409 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -7.072 -14.105 -2.731 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -5.388 -14.496 -2.447 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -6.255 -16.388 -3.580 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -6.161 -16.883 -1.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -8.269 -17.505 -2.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -8.516 -16.412 -1.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -8.619 -15.877 -3.251 1.00 0.00 H new ATOM 913 N GLU A 63 -3.643 -10.696 -0.830 1.00 0.00 N ATOM 914 CA GLU A 63 -3.425 -9.300 -1.190 1.00 0.00 C ATOM 915 C GLU A 63 -4.126 -8.962 -2.503 1.00 0.00 C ATOM 916 O GLU A 63 -4.165 -9.776 -3.425 1.00 0.00 O ATOM 917 CB GLU A 63 -1.928 -9.008 -1.308 1.00 0.00 C ATOM 918 CG GLU A 63 -1.602 -7.526 -1.393 1.00 0.00 C ATOM 919 CD GLU A 63 -1.470 -6.879 -0.028 1.00 0.00 C ATOM 920 OE1 GLU A 63 -2.497 -6.424 0.516 1.00 0.00 O ATOM 921 OE2 GLU A 63 -0.337 -6.828 0.496 1.00 0.00 O ATOM 0 H GLU A 63 -2.788 -11.238 -0.705 1.00 0.00 H new ATOM 0 HA GLU A 63 -3.847 -8.677 -0.401 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -1.414 -9.436 -0.447 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.537 -9.509 -2.194 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -0.672 -7.393 -1.945 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -2.383 -7.018 -1.958 1.00 0.00 H new ATOM 928 N GLN A 64 -4.679 -7.755 -2.578 1.00 0.00 N ATOM 929 CA GLN A 64 -5.379 -7.310 -3.777 1.00 0.00 C ATOM 930 C GLN A 64 -4.640 -6.153 -4.441 1.00 0.00 C ATOM 931 O GLN A 64 -3.573 -5.741 -3.984 1.00 0.00 O ATOM 932 CB GLN A 64 -6.808 -6.887 -3.431 1.00 0.00 C ATOM 933 CG GLN A 64 -7.766 -8.056 -3.266 1.00 0.00 C ATOM 934 CD GLN A 64 -8.891 -7.757 -2.295 1.00 0.00 C ATOM 935 OE1 GLN A 64 -9.646 -6.801 -2.477 1.00 0.00 O ATOM 936 NE2 GLN A 64 -9.009 -8.574 -1.256 1.00 0.00 N ATOM 0 H GLN A 64 -4.656 -7.069 -1.823 1.00 0.00 H new ATOM 0 HA GLN A 64 -5.414 -8.144 -4.478 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -6.793 -6.307 -2.508 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -7.183 -6.229 -4.215 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -8.189 -8.314 -4.237 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -7.212 -8.928 -2.917 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -8.361 -9.354 -1.144 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -9.748 -8.422 -0.569 1.00 0.00 H new ATOM 945 N ASP A 65 -5.214 -5.632 -5.520 1.00 0.00 N ATOM 946 CA ASP A 65 -4.610 -4.521 -6.246 1.00 0.00 C ATOM 947 C ASP A 65 -5.682 -3.644 -6.886 1.00 0.00 C ATOM 948 O ASP A 65 -6.634 -4.146 -7.484 1.00 0.00 O ATOM 949 CB ASP A 65 -3.655 -5.045 -7.319 1.00 0.00 C ATOM 950 CG ASP A 65 -4.368 -5.390 -8.612 1.00 0.00 C ATOM 951 OD1 ASP A 65 -5.478 -5.960 -8.543 1.00 0.00 O ATOM 952 OD2 ASP A 65 -3.818 -5.090 -9.691 1.00 0.00 O ATOM 0 H ASP A 65 -6.097 -5.961 -5.911 1.00 0.00 H new ATOM 0 HA ASP A 65 -4.048 -3.916 -5.534 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -2.891 -4.294 -7.519 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -3.142 -5.930 -6.943 1.00 0.00 H new ATOM 957 N VAL A 66 -5.520 -2.331 -6.757 1.00 0.00 N ATOM 958 CA VAL A 66 -6.473 -1.384 -7.322 1.00 0.00 C ATOM 959 C VAL A 66 -5.757 -0.260 -8.063 1.00 0.00 C ATOM 960 O VAL A 66 -4.939 0.455 -7.486 1.00 0.00 O ATOM 961 CB VAL A 66 -7.372 -0.773 -6.231 1.00 0.00 C ATOM 962 CG1 VAL A 66 -8.231 -1.848 -5.582 1.00 0.00 C ATOM 963 CG2 VAL A 66 -6.529 -0.051 -5.190 1.00 0.00 C ATOM 0 H VAL A 66 -4.737 -1.899 -6.266 1.00 0.00 H new ATOM 0 HA VAL A 66 -7.094 -1.941 -8.024 1.00 0.00 H new ATOM 0 HB VAL A 66 -8.036 -0.045 -6.697 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -8.859 -1.397 -4.814 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -8.862 -2.316 -6.338 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -7.588 -2.603 -5.128 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -7.180 0.375 -4.426 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -5.840 -0.757 -4.727 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -5.963 0.747 -5.670 1.00 0.00 H new ATOM 973 N ASP A 67 -6.071 -0.111 -9.346 1.00 0.00 N ATOM 974 CA ASP A 67 -5.459 0.927 -10.167 1.00 0.00 C ATOM 975 C ASP A 67 -5.931 2.311 -9.734 1.00 0.00 C ATOM 976 O ASP A 67 -7.085 2.681 -9.952 1.00 0.00 O ATOM 977 CB ASP A 67 -5.789 0.700 -11.643 1.00 0.00 C ATOM 978 CG ASP A 67 -4.807 1.391 -12.569 1.00 0.00 C ATOM 979 OD1 ASP A 67 -3.676 1.679 -12.125 1.00 0.00 O ATOM 980 OD2 ASP A 67 -5.170 1.642 -13.737 1.00 0.00 O ATOM 0 H ASP A 67 -6.746 -0.696 -9.839 1.00 0.00 H new ATOM 0 HA ASP A 67 -4.379 0.873 -10.032 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -5.790 -0.370 -11.852 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -6.795 1.065 -11.848 1.00 0.00 H new ATOM 985 N VAL A 68 -5.032 3.072 -9.119 1.00 0.00 N ATOM 986 CA VAL A 68 -5.356 4.416 -8.655 1.00 0.00 C ATOM 987 C VAL A 68 -4.655 5.473 -9.500 1.00 0.00 C ATOM 988 O VAL A 68 -3.538 5.264 -9.973 1.00 0.00 O ATOM 989 CB VAL A 68 -4.962 4.611 -7.179 1.00 0.00 C ATOM 990 CG1 VAL A 68 -5.187 6.053 -6.752 1.00 0.00 C ATOM 991 CG2 VAL A 68 -5.743 3.655 -6.289 1.00 0.00 C ATOM 0 H VAL A 68 -4.073 2.781 -8.930 1.00 0.00 H new ATOM 0 HA VAL A 68 -6.435 4.533 -8.754 1.00 0.00 H new ATOM 0 HB VAL A 68 -3.901 4.387 -7.072 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.903 6.171 -5.706 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.580 6.714 -7.370 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -6.240 6.308 -6.873 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -5.452 3.806 -5.249 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -6.811 3.846 -6.399 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -5.526 2.627 -6.581 1.00 0.00 H new ATOM 1001 N SER A 69 -5.318 6.610 -9.686 1.00 0.00 N ATOM 1002 CA SER A 69 -4.760 7.700 -10.478 1.00 0.00 C ATOM 1003 C SER A 69 -4.228 8.810 -9.576 1.00 0.00 C ATOM 1004 O SER A 69 -3.217 9.441 -9.881 1.00 0.00 O ATOM 1005 CB SER A 69 -5.819 8.263 -11.428 1.00 0.00 C ATOM 1006 OG SER A 69 -6.134 7.334 -12.450 1.00 0.00 O ATOM 0 H SER A 69 -6.242 6.800 -9.299 1.00 0.00 H new ATOM 0 HA SER A 69 -3.931 7.303 -11.064 1.00 0.00 H new ATOM 0 HB2 SER A 69 -6.720 8.510 -10.867 1.00 0.00 H new ATOM 0 HB3 SER A 69 -5.456 9.189 -11.874 1.00 0.00 H new ATOM 0 HG SER A 69 -6.814 7.717 -13.042 1.00 0.00 H new ATOM 1012 N SER A 70 -4.918 9.041 -8.463 1.00 0.00 N ATOM 1013 CA SER A 70 -4.519 10.076 -7.517 1.00 0.00 C ATOM 1014 C SER A 70 -3.551 9.519 -6.478 1.00 0.00 C ATOM 1015 O SER A 70 -3.530 8.316 -6.214 1.00 0.00 O ATOM 1016 CB SER A 70 -5.748 10.663 -6.822 1.00 0.00 C ATOM 1017 OG SER A 70 -6.591 9.638 -6.324 1.00 0.00 O ATOM 0 H SER A 70 -5.756 8.525 -8.195 1.00 0.00 H new ATOM 0 HA SER A 70 -4.013 10.865 -8.073 1.00 0.00 H new ATOM 0 HB2 SER A 70 -5.432 11.309 -6.003 1.00 0.00 H new ATOM 0 HB3 SER A 70 -6.303 11.286 -7.523 1.00 0.00 H new ATOM 0 HG SER A 70 -6.484 9.569 -5.352 1.00 0.00 H new ATOM 1023 N HIS A 71 -2.749 10.402 -5.892 1.00 0.00 N ATOM 1024 CA HIS A 71 -1.778 9.999 -4.880 1.00 0.00 C ATOM 1025 C HIS A 71 -2.479 9.444 -3.644 1.00 0.00 C ATOM 1026 O HIS A 71 -1.914 8.635 -2.908 1.00 0.00 O ATOM 1027 CB HIS A 71 -0.894 11.185 -4.491 1.00 0.00 C ATOM 1028 CG HIS A 71 0.164 11.501 -5.502 1.00 0.00 C ATOM 1029 ND1 HIS A 71 0.113 12.606 -6.325 1.00 0.00 N ATOM 1030 CD2 HIS A 71 1.307 10.850 -5.820 1.00 0.00 C ATOM 1031 CE1 HIS A 71 1.178 12.620 -7.106 1.00 0.00 C ATOM 1032 NE2 HIS A 71 1.919 11.565 -6.820 1.00 0.00 N ATOM 0 H HIS A 71 -2.752 11.401 -6.100 1.00 0.00 H new ATOM 0 HA HIS A 71 -1.153 9.213 -5.304 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -1.522 12.064 -4.348 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -0.418 10.974 -3.533 1.00 0.00 H new ATOM 0 HD2 HIS A 71 1.670 9.938 -5.371 1.00 0.00 H new ATOM 0 HE1 HIS A 71 1.404 13.367 -7.852 1.00 0.00 H new ATOM 0 HE2 HIS A 71 2.802 11.321 -7.269 1.00 0.00 H new ATOM 1041 N SER A 72 -3.713 9.885 -3.422 1.00 0.00 N ATOM 1042 CA SER A 72 -4.490 9.436 -2.272 1.00 0.00 C ATOM 1043 C SER A 72 -5.773 8.742 -2.721 1.00 0.00 C ATOM 1044 O SER A 72 -6.486 9.236 -3.595 1.00 0.00 O ATOM 1045 CB SER A 72 -4.828 10.620 -1.364 1.00 0.00 C ATOM 1046 OG SER A 72 -3.669 11.376 -1.060 1.00 0.00 O ATOM 0 H SER A 72 -4.196 10.553 -4.023 1.00 0.00 H new ATOM 0 HA SER A 72 -3.886 8.720 -1.714 1.00 0.00 H new ATOM 0 HB2 SER A 72 -5.565 11.258 -1.852 1.00 0.00 H new ATOM 0 HB3 SER A 72 -5.282 10.257 -0.442 1.00 0.00 H new ATOM 0 HG SER A 72 -3.919 12.155 -0.520 1.00 0.00 H new ATOM 1052 N TYR A 73 -6.059 7.595 -2.117 1.00 0.00 N ATOM 1053 CA TYR A 73 -7.254 6.830 -2.455 1.00 0.00 C ATOM 1054 C TYR A 73 -8.080 6.531 -1.207 1.00 0.00 C ATOM 1055 O TYR A 73 -7.634 6.760 -0.082 1.00 0.00 O ATOM 1056 CB TYR A 73 -6.870 5.524 -3.151 1.00 0.00 C ATOM 1057 CG TYR A 73 -8.057 4.726 -3.640 1.00 0.00 C ATOM 1058 CD1 TYR A 73 -8.816 5.163 -4.719 1.00 0.00 C ATOM 1059 CD2 TYR A 73 -8.420 3.535 -3.023 1.00 0.00 C ATOM 1060 CE1 TYR A 73 -9.902 4.437 -5.168 1.00 0.00 C ATOM 1061 CE2 TYR A 73 -9.504 2.802 -3.467 1.00 0.00 C ATOM 1062 CZ TYR A 73 -10.242 3.258 -4.539 1.00 0.00 C ATOM 1063 OH TYR A 73 -11.323 2.531 -4.985 1.00 0.00 O ATOM 0 H TYR A 73 -5.480 7.174 -1.391 1.00 0.00 H new ATOM 0 HA TYR A 73 -7.859 7.431 -3.134 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -6.222 5.750 -3.997 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -6.291 4.911 -2.461 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -8.552 6.086 -5.215 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -7.845 3.176 -2.182 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -10.482 4.791 -6.008 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -9.772 1.877 -2.977 1.00 0.00 H new ATOM 0 HH TYR A 73 -11.426 1.727 -4.434 1.00 0.00 H new ATOM 1073 N THR A 74 -9.289 6.017 -1.415 1.00 0.00 N ATOM 1074 CA THR A 74 -10.179 5.686 -0.309 1.00 0.00 C ATOM 1075 C THR A 74 -10.822 4.319 -0.512 1.00 0.00 C ATOM 1076 O THR A 74 -11.664 4.143 -1.393 1.00 0.00 O ATOM 1077 CB THR A 74 -11.287 6.743 -0.145 1.00 0.00 C ATOM 1078 OG1 THR A 74 -10.707 8.047 -0.024 1.00 0.00 O ATOM 1079 CG2 THR A 74 -12.140 6.447 1.079 1.00 0.00 C ATOM 0 H THR A 74 -9.674 5.821 -2.339 1.00 0.00 H new ATOM 0 HA THR A 74 -9.569 5.667 0.594 1.00 0.00 H new ATOM 0 HB THR A 74 -11.924 6.710 -1.029 1.00 0.00 H new ATOM 0 HG1 THR A 74 -11.418 8.713 0.078 1.00 0.00 H new ATOM 0 HG21 THR A 74 -12.916 7.207 1.174 1.00 0.00 H new ATOM 0 HG22 THR A 74 -12.604 5.467 0.971 1.00 0.00 H new ATOM 0 HG23 THR A 74 -11.513 6.455 1.970 1.00 0.00 H new ATOM 1087 N ILE A 75 -10.421 3.355 0.310 1.00 0.00 N ATOM 1088 CA ILE A 75 -10.961 2.004 0.221 1.00 0.00 C ATOM 1089 C ILE A 75 -12.146 1.822 1.164 1.00 0.00 C ATOM 1090 O ILE A 75 -12.049 2.096 2.359 1.00 0.00 O ATOM 1091 CB ILE A 75 -9.890 0.947 0.552 1.00 0.00 C ATOM 1092 CG1 ILE A 75 -8.748 1.012 -0.464 1.00 0.00 C ATOM 1093 CG2 ILE A 75 -10.508 -0.443 0.574 1.00 0.00 C ATOM 1094 CD1 ILE A 75 -7.535 0.202 -0.062 1.00 0.00 C ATOM 0 H ILE A 75 -9.725 3.484 1.044 1.00 0.00 H new ATOM 0 HA ILE A 75 -11.293 1.864 -0.808 1.00 0.00 H new ATOM 0 HB ILE A 75 -9.484 1.159 1.541 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -9.110 0.655 -1.428 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -8.452 2.052 -0.599 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -9.739 -1.179 0.809 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -11.291 -0.481 1.331 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -10.937 -0.666 -0.403 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -6.766 0.294 -0.828 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -7.148 0.573 0.887 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -7.816 -0.846 0.045 1.00 0.00 H new ATOM 1106 N ASN A 76 -13.265 1.357 0.617 1.00 0.00 N ATOM 1107 CA ASN A 76 -14.469 1.137 1.409 1.00 0.00 C ATOM 1108 C ASN A 76 -14.889 -0.329 1.365 1.00 0.00 C ATOM 1109 O ASN A 76 -14.363 -1.113 0.577 1.00 0.00 O ATOM 1110 CB ASN A 76 -15.609 2.021 0.899 1.00 0.00 C ATOM 1111 CG ASN A 76 -15.145 3.425 0.560 1.00 0.00 C ATOM 1112 OD1 ASN A 76 -14.076 3.858 0.991 1.00 0.00 O ATOM 1113 ND2 ASN A 76 -15.949 4.143 -0.215 1.00 0.00 N ATOM 0 H ASN A 76 -13.362 1.125 -0.372 1.00 0.00 H new ATOM 0 HA ASN A 76 -14.247 1.402 2.443 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -16.051 1.564 0.014 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -16.392 2.073 1.656 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -15.690 5.094 -0.476 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -16.826 3.743 -0.549 1.00 0.00 H new ATOM 1120 N GLY A 77 -15.842 -0.692 2.219 1.00 0.00 N ATOM 1121 CA GLY A 77 -16.317 -2.062 2.261 1.00 0.00 C ATOM 1122 C GLY A 77 -15.378 -2.978 3.021 1.00 0.00 C ATOM 1123 O GLY A 77 -14.909 -3.983 2.485 1.00 0.00 O ATOM 0 H GLY A 77 -16.293 -0.061 2.882 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -17.302 -2.088 2.728 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -16.437 -2.433 1.243 1.00 0.00 H new ATOM 1127 N LEU A 78 -15.102 -2.632 4.274 1.00 0.00 N ATOM 1128 CA LEU A 78 -14.211 -3.430 5.109 1.00 0.00 C ATOM 1129 C LEU A 78 -14.879 -3.783 6.434 1.00 0.00 C ATOM 1130 O LEU A 78 -15.941 -3.257 6.767 1.00 0.00 O ATOM 1131 CB LEU A 78 -12.908 -2.672 5.368 1.00 0.00 C ATOM 1132 CG LEU A 78 -12.262 -2.012 4.150 1.00 0.00 C ATOM 1133 CD1 LEU A 78 -11.096 -1.132 4.574 1.00 0.00 C ATOM 1134 CD2 LEU A 78 -11.801 -3.066 3.154 1.00 0.00 C ATOM 0 H LEU A 78 -15.482 -1.805 4.734 1.00 0.00 H new ATOM 0 HA LEU A 78 -13.987 -4.355 4.578 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -13.102 -1.901 6.114 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -12.189 -3.365 5.805 1.00 0.00 H new ATOM 0 HG LEU A 78 -13.008 -1.383 3.665 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -10.649 -0.671 3.693 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -11.454 -0.354 5.249 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -10.348 -1.739 5.084 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -11.344 -2.578 2.293 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -11.071 -3.722 3.630 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -12.657 -3.655 2.825 1.00 0.00 H new ATOM 1146 N LYS A 79 -14.248 -4.678 7.188 1.00 0.00 N ATOM 1147 CA LYS A 79 -14.778 -5.100 8.479 1.00 0.00 C ATOM 1148 C LYS A 79 -14.520 -4.041 9.546 1.00 0.00 C ATOM 1149 O LYS A 79 -13.586 -3.247 9.435 1.00 0.00 O ATOM 1150 CB LYS A 79 -14.148 -6.429 8.902 1.00 0.00 C ATOM 1151 CG LYS A 79 -14.628 -7.617 8.086 1.00 0.00 C ATOM 1152 CD LYS A 79 -15.967 -8.133 8.587 1.00 0.00 C ATOM 1153 CE LYS A 79 -15.808 -8.949 9.860 1.00 0.00 C ATOM 1154 NZ LYS A 79 -15.577 -10.391 9.569 1.00 0.00 N ATOM 0 H LYS A 79 -13.369 -5.125 6.927 1.00 0.00 H new ATOM 0 HA LYS A 79 -15.855 -5.232 8.376 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -13.064 -6.352 8.813 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -14.370 -6.608 9.954 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -14.717 -7.328 7.039 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -13.888 -8.416 8.134 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -16.635 -7.292 8.773 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -16.433 -8.746 7.816 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -14.973 -8.557 10.441 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -16.702 -8.841 10.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -15.474 -10.913 10.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -16.385 -10.772 9.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -14.710 -10.497 9.004 1.00 0.00 H new ATOM 1168 N LYS A 80 -15.354 -4.035 10.581 1.00 0.00 N ATOM 1169 CA LYS A 80 -15.216 -3.076 11.670 1.00 0.00 C ATOM 1170 C LYS A 80 -14.186 -3.554 12.689 1.00 0.00 C ATOM 1171 O LYS A 80 -14.022 -4.756 12.903 1.00 0.00 O ATOM 1172 CB LYS A 80 -16.565 -2.855 12.358 1.00 0.00 C ATOM 1173 CG LYS A 80 -17.398 -1.756 11.723 1.00 0.00 C ATOM 1174 CD LYS A 80 -18.886 -2.020 11.883 1.00 0.00 C ATOM 1175 CE LYS A 80 -19.372 -3.080 10.907 1.00 0.00 C ATOM 1176 NZ LYS A 80 -20.626 -3.733 11.376 1.00 0.00 N ATOM 0 H LYS A 80 -16.133 -4.684 10.688 1.00 0.00 H new ATOM 0 HA LYS A 80 -14.872 -2.132 11.247 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -17.131 -3.786 12.337 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -16.393 -2.610 13.406 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -17.147 -0.798 12.179 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -17.153 -1.679 10.664 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -19.092 -2.342 12.904 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -19.440 -1.095 11.723 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -19.543 -2.625 9.932 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -18.597 -3.835 10.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -20.925 -4.449 10.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -20.457 -4.190 12.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -21.373 -3.017 11.478 1.00 0.00 H new ATOM 1190 N TYR A 81 -13.497 -2.608 13.316 1.00 0.00 N ATOM 1191 CA TYR A 81 -12.483 -2.933 14.312 1.00 0.00 C ATOM 1192 C TYR A 81 -11.553 -4.031 13.804 1.00 0.00 C ATOM 1193 O TYR A 81 -11.203 -4.955 14.539 1.00 0.00 O ATOM 1194 CB TYR A 81 -13.145 -3.374 15.619 1.00 0.00 C ATOM 1195 CG TYR A 81 -12.225 -3.304 16.817 1.00 0.00 C ATOM 1196 CD1 TYR A 81 -11.584 -2.119 17.158 1.00 0.00 C ATOM 1197 CD2 TYR A 81 -11.998 -4.423 17.609 1.00 0.00 C ATOM 1198 CE1 TYR A 81 -10.743 -2.052 18.251 1.00 0.00 C ATOM 1199 CE2 TYR A 81 -11.159 -4.364 18.705 1.00 0.00 C ATOM 1200 CZ TYR A 81 -10.534 -3.176 19.022 1.00 0.00 C ATOM 1201 OH TYR A 81 -9.697 -3.112 20.112 1.00 0.00 O ATOM 0 H TYR A 81 -13.622 -1.609 13.152 1.00 0.00 H new ATOM 0 HA TYR A 81 -11.891 -2.037 14.497 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -14.017 -2.747 15.804 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -13.505 -4.397 15.507 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -11.746 -1.236 16.558 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -12.486 -5.355 17.364 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -10.251 -1.124 18.501 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -10.993 -5.243 19.310 1.00 0.00 H new ATOM 0 HH TYR A 81 -9.660 -3.989 20.548 1.00 0.00 H new ATOM 1211 N THR A 82 -11.155 -3.922 12.541 1.00 0.00 N ATOM 1212 CA THR A 82 -10.266 -4.904 11.932 1.00 0.00 C ATOM 1213 C THR A 82 -9.014 -4.239 11.371 1.00 0.00 C ATOM 1214 O THR A 82 -9.028 -3.056 11.033 1.00 0.00 O ATOM 1215 CB THR A 82 -10.972 -5.678 10.803 1.00 0.00 C ATOM 1216 OG1 THR A 82 -12.191 -6.251 11.290 1.00 0.00 O ATOM 1217 CG2 THR A 82 -10.073 -6.776 10.255 1.00 0.00 C ATOM 0 H THR A 82 -11.434 -3.163 11.919 1.00 0.00 H new ATOM 0 HA THR A 82 -9.982 -5.603 12.719 1.00 0.00 H new ATOM 0 HB THR A 82 -11.196 -4.978 9.998 1.00 0.00 H new ATOM 0 HG1 THR A 82 -12.749 -5.548 11.682 1.00 0.00 H new ATOM 0 HG21 THR A 82 -10.593 -7.309 9.459 1.00 0.00 H new ATOM 0 HG22 THR A 82 -9.159 -6.334 9.859 1.00 0.00 H new ATOM 0 HG23 THR A 82 -9.822 -7.473 11.054 1.00 0.00 H new ATOM 1225 N GLU A 83 -7.934 -5.008 11.275 1.00 0.00 N ATOM 1226 CA GLU A 83 -6.673 -4.491 10.754 1.00 0.00 C ATOM 1227 C GLU A 83 -6.546 -4.773 9.260 1.00 0.00 C ATOM 1228 O GLU A 83 -7.075 -5.765 8.757 1.00 0.00 O ATOM 1229 CB GLU A 83 -5.493 -5.113 11.504 1.00 0.00 C ATOM 1230 CG GLU A 83 -4.274 -4.209 11.576 1.00 0.00 C ATOM 1231 CD GLU A 83 -3.170 -4.786 12.442 1.00 0.00 C ATOM 1232 OE1 GLU A 83 -2.413 -5.645 11.945 1.00 0.00 O ATOM 1233 OE2 GLU A 83 -3.064 -4.376 13.617 1.00 0.00 O ATOM 0 H GLU A 83 -7.906 -5.990 11.551 1.00 0.00 H new ATOM 0 HA GLU A 83 -6.662 -3.412 10.905 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -5.809 -5.365 12.516 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -5.214 -6.047 11.016 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -3.891 -4.041 10.569 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -4.570 -3.237 11.971 1.00 0.00 H new ATOM 1240 N TYR A 84 -5.840 -3.895 8.557 1.00 0.00 N ATOM 1241 CA TYR A 84 -5.645 -4.046 7.120 1.00 0.00 C ATOM 1242 C TYR A 84 -4.268 -3.541 6.701 1.00 0.00 C ATOM 1243 O TYR A 84 -3.852 -2.447 7.084 1.00 0.00 O ATOM 1244 CB TYR A 84 -6.732 -3.291 6.353 1.00 0.00 C ATOM 1245 CG TYR A 84 -8.080 -3.976 6.383 1.00 0.00 C ATOM 1246 CD1 TYR A 84 -8.384 -4.994 5.487 1.00 0.00 C ATOM 1247 CD2 TYR A 84 -9.050 -3.605 7.306 1.00 0.00 C ATOM 1248 CE1 TYR A 84 -9.614 -5.622 5.510 1.00 0.00 C ATOM 1249 CE2 TYR A 84 -10.282 -4.229 7.337 1.00 0.00 C ATOM 1250 CZ TYR A 84 -10.560 -5.236 6.437 1.00 0.00 C ATOM 1251 OH TYR A 84 -11.786 -5.860 6.463 1.00 0.00 O ATOM 0 H TYR A 84 -5.393 -3.071 8.959 1.00 0.00 H new ATOM 0 HA TYR A 84 -5.712 -5.107 6.880 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -6.833 -2.290 6.773 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -6.417 -3.172 5.316 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -7.646 -5.299 4.760 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -8.837 -2.815 8.011 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -9.834 -6.411 4.806 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -11.024 -3.930 8.063 1.00 0.00 H new ATOM 0 HH TYR A 84 -11.747 -6.632 7.065 1.00 0.00 H new ATOM 1261 N SER A 85 -3.564 -4.346 5.911 1.00 0.00 N ATOM 1262 CA SER A 85 -2.232 -3.983 5.441 1.00 0.00 C ATOM 1263 C SER A 85 -2.316 -3.095 4.204 1.00 0.00 C ATOM 1264 O SER A 85 -3.275 -3.169 3.436 1.00 0.00 O ATOM 1265 CB SER A 85 -1.420 -5.241 5.126 1.00 0.00 C ATOM 1266 OG SER A 85 -0.039 -5.028 5.362 1.00 0.00 O ATOM 0 H SER A 85 -3.894 -5.254 5.583 1.00 0.00 H new ATOM 0 HA SER A 85 -1.733 -3.425 6.233 1.00 0.00 H new ATOM 0 HB2 SER A 85 -1.774 -6.069 5.740 1.00 0.00 H new ATOM 0 HB3 SER A 85 -1.575 -5.527 4.086 1.00 0.00 H new ATOM 0 HG SER A 85 0.417 -4.865 4.510 1.00 0.00 H new ATOM 1272 N PHE A 86 -1.303 -2.254 4.018 1.00 0.00 N ATOM 1273 CA PHE A 86 -1.261 -1.349 2.875 1.00 0.00 C ATOM 1274 C PHE A 86 0.176 -1.117 2.418 1.00 0.00 C ATOM 1275 O PHE A 86 1.066 -0.877 3.233 1.00 0.00 O ATOM 1276 CB PHE A 86 -1.918 -0.014 3.230 1.00 0.00 C ATOM 1277 CG PHE A 86 -3.391 -0.124 3.504 1.00 0.00 C ATOM 1278 CD1 PHE A 86 -4.292 -0.288 2.464 1.00 0.00 C ATOM 1279 CD2 PHE A 86 -3.874 -0.064 4.801 1.00 0.00 C ATOM 1280 CE1 PHE A 86 -5.648 -0.389 2.713 1.00 0.00 C ATOM 1281 CE2 PHE A 86 -5.229 -0.165 5.056 1.00 0.00 C ATOM 1282 CZ PHE A 86 -6.117 -0.328 4.011 1.00 0.00 C ATOM 0 H PHE A 86 -0.501 -2.181 4.644 1.00 0.00 H new ATOM 0 HA PHE A 86 -1.813 -1.811 2.057 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -1.424 0.403 4.107 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -1.760 0.688 2.411 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -3.931 -0.337 1.447 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -3.184 0.063 5.622 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -6.340 -0.515 1.894 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -5.593 -0.116 6.072 1.00 0.00 H new ATOM 0 HZ PHE A 86 -7.176 -0.408 4.208 1.00 0.00 H new ATOM 1292 N ARG A 87 0.393 -1.190 1.109 1.00 0.00 N ATOM 1293 CA ARG A 87 1.722 -0.989 0.543 1.00 0.00 C ATOM 1294 C ARG A 87 1.630 -0.422 -0.871 1.00 0.00 C ATOM 1295 O ARG A 87 0.954 -0.982 -1.734 1.00 0.00 O ATOM 1296 CB ARG A 87 2.496 -2.308 0.525 1.00 0.00 C ATOM 1297 CG ARG A 87 1.685 -3.484 0.007 1.00 0.00 C ATOM 1298 CD ARG A 87 2.583 -4.624 -0.447 1.00 0.00 C ATOM 1299 NE ARG A 87 2.890 -4.545 -1.872 1.00 0.00 N ATOM 1300 CZ ARG A 87 3.755 -5.348 -2.483 1.00 0.00 C ATOM 1301 NH1 ARG A 87 4.394 -6.285 -1.797 1.00 0.00 N ATOM 1302 NH2 ARG A 87 3.981 -5.214 -3.784 1.00 0.00 N ATOM 0 H ARG A 87 -0.334 -1.387 0.421 1.00 0.00 H new ATOM 0 HA ARG A 87 2.253 -0.272 1.170 1.00 0.00 H new ATOM 0 HB2 ARG A 87 3.385 -2.189 -0.095 1.00 0.00 H new ATOM 0 HB3 ARG A 87 2.840 -2.531 1.535 1.00 0.00 H new ATOM 0 HG2 ARG A 87 1.014 -3.838 0.790 1.00 0.00 H new ATOM 0 HG3 ARG A 87 1.060 -3.158 -0.825 1.00 0.00 H new ATOM 0 HD2 ARG A 87 3.511 -4.605 0.125 1.00 0.00 H new ATOM 0 HD3 ARG A 87 2.097 -5.576 -0.233 1.00 0.00 H new ATOM 0 HE ARG A 87 2.415 -3.835 -2.429 1.00 0.00 H new ATOM 0 HH11 ARG A 87 4.222 -6.391 -0.797 1.00 0.00 H new ATOM 0 HH12 ARG A 87 5.057 -6.900 -2.269 1.00 0.00 H new ATOM 0 HH21 ARG A 87 3.491 -4.494 -4.315 1.00 0.00 H new ATOM 0 HH22 ARG A 87 4.645 -5.831 -4.252 1.00 0.00 H new ATOM 1316 N VAL A 88 2.316 0.694 -1.100 1.00 0.00 N ATOM 1317 CA VAL A 88 2.313 1.337 -2.409 1.00 0.00 C ATOM 1318 C VAL A 88 3.526 0.917 -3.231 1.00 0.00 C ATOM 1319 O VAL A 88 4.597 0.651 -2.685 1.00 0.00 O ATOM 1320 CB VAL A 88 2.301 2.872 -2.280 1.00 0.00 C ATOM 1321 CG1 VAL A 88 2.361 3.524 -3.652 1.00 0.00 C ATOM 1322 CG2 VAL A 88 1.069 3.332 -1.515 1.00 0.00 C ATOM 0 H VAL A 88 2.880 1.171 -0.397 1.00 0.00 H new ATOM 0 HA VAL A 88 1.404 1.015 -2.917 1.00 0.00 H new ATOM 0 HB VAL A 88 3.184 3.179 -1.720 1.00 0.00 H new ATOM 0 HG11 VAL A 88 2.352 4.608 -3.540 1.00 0.00 H new ATOM 0 HG12 VAL A 88 3.276 3.219 -4.160 1.00 0.00 H new ATOM 0 HG13 VAL A 88 1.498 3.212 -4.241 1.00 0.00 H new ATOM 0 HG21 VAL A 88 1.076 4.419 -1.433 1.00 0.00 H new ATOM 0 HG22 VAL A 88 0.172 3.014 -2.046 1.00 0.00 H new ATOM 0 HG23 VAL A 88 1.075 2.893 -0.517 1.00 0.00 H new ATOM 1332 N VAL A 89 3.352 0.861 -4.547 1.00 0.00 N ATOM 1333 CA VAL A 89 4.433 0.474 -5.446 1.00 0.00 C ATOM 1334 C VAL A 89 4.483 1.385 -6.668 1.00 0.00 C ATOM 1335 O VAL A 89 3.448 1.766 -7.214 1.00 0.00 O ATOM 1336 CB VAL A 89 4.280 -0.986 -5.913 1.00 0.00 C ATOM 1337 CG1 VAL A 89 5.319 -1.319 -6.973 1.00 0.00 C ATOM 1338 CG2 VAL A 89 4.389 -1.937 -4.731 1.00 0.00 C ATOM 0 H VAL A 89 2.472 1.079 -5.015 1.00 0.00 H new ATOM 0 HA VAL A 89 5.362 0.572 -4.885 1.00 0.00 H new ATOM 0 HB VAL A 89 3.292 -1.106 -6.357 1.00 0.00 H new ATOM 0 HG11 VAL A 89 5.196 -2.354 -7.291 1.00 0.00 H new ATOM 0 HG12 VAL A 89 5.189 -0.658 -7.830 1.00 0.00 H new ATOM 0 HG13 VAL A 89 6.318 -1.183 -6.559 1.00 0.00 H new ATOM 0 HG21 VAL A 89 4.279 -2.964 -5.079 1.00 0.00 H new ATOM 0 HG22 VAL A 89 5.363 -1.817 -4.256 1.00 0.00 H new ATOM 0 HG23 VAL A 89 3.604 -1.712 -4.009 1.00 0.00 H new ATOM 1348 N ALA A 90 5.694 1.728 -7.093 1.00 0.00 N ATOM 1349 CA ALA A 90 5.880 2.592 -8.253 1.00 0.00 C ATOM 1350 C ALA A 90 5.902 1.781 -9.543 1.00 0.00 C ATOM 1351 O ALA A 90 6.631 0.795 -9.656 1.00 0.00 O ATOM 1352 CB ALA A 90 7.164 3.397 -8.111 1.00 0.00 C ATOM 0 H ALA A 90 6.561 1.421 -6.652 1.00 0.00 H new ATOM 0 HA ALA A 90 5.036 3.280 -8.302 1.00 0.00 H new ATOM 0 HB1 ALA A 90 7.290 4.038 -8.984 1.00 0.00 H new ATOM 0 HB2 ALA A 90 7.110 4.013 -7.214 1.00 0.00 H new ATOM 0 HB3 ALA A 90 8.013 2.718 -8.034 1.00 0.00 H new ATOM 1358 N TYR A 91 5.099 2.201 -10.514 1.00 0.00 N ATOM 1359 CA TYR A 91 5.024 1.511 -11.797 1.00 0.00 C ATOM 1360 C TYR A 91 5.237 2.484 -12.952 1.00 0.00 C ATOM 1361 O TYR A 91 4.363 3.291 -13.267 1.00 0.00 O ATOM 1362 CB TYR A 91 3.672 0.812 -11.945 1.00 0.00 C ATOM 1363 CG TYR A 91 3.605 -0.531 -11.255 1.00 0.00 C ATOM 1364 CD1 TYR A 91 4.030 -1.687 -11.899 1.00 0.00 C ATOM 1365 CD2 TYR A 91 3.115 -0.645 -9.960 1.00 0.00 C ATOM 1366 CE1 TYR A 91 3.970 -2.917 -11.272 1.00 0.00 C ATOM 1367 CE2 TYR A 91 3.053 -1.871 -9.325 1.00 0.00 C ATOM 1368 CZ TYR A 91 3.481 -3.003 -9.985 1.00 0.00 C ATOM 1369 OH TYR A 91 3.419 -4.226 -9.357 1.00 0.00 O ATOM 0 H TYR A 91 4.491 3.016 -10.437 1.00 0.00 H new ATOM 0 HA TYR A 91 5.817 0.763 -11.826 1.00 0.00 H new ATOM 0 HB2 TYR A 91 2.893 1.458 -11.541 1.00 0.00 H new ATOM 0 HB3 TYR A 91 3.456 0.677 -13.005 1.00 0.00 H new ATOM 0 HD1 TYR A 91 4.414 -1.623 -12.907 1.00 0.00 H new ATOM 0 HD2 TYR A 91 2.777 0.239 -9.441 1.00 0.00 H new ATOM 0 HE1 TYR A 91 4.304 -3.806 -11.787 1.00 0.00 H new ATOM 0 HE2 TYR A 91 2.671 -1.942 -8.317 1.00 0.00 H new ATOM 0 HH TYR A 91 2.979 -4.125 -8.487 1.00 0.00 H new ATOM 1379 N ASN A 92 6.405 2.400 -13.581 1.00 0.00 N ATOM 1380 CA ASN A 92 6.734 3.272 -14.702 1.00 0.00 C ATOM 1381 C ASN A 92 7.217 2.460 -15.900 1.00 0.00 C ATOM 1382 O ASN A 92 7.424 1.250 -15.801 1.00 0.00 O ATOM 1383 CB ASN A 92 7.806 4.283 -14.291 1.00 0.00 C ATOM 1384 CG ASN A 92 9.077 3.613 -13.808 1.00 0.00 C ATOM 1385 OD1 ASN A 92 9.159 2.386 -13.740 1.00 0.00 O ATOM 1386 ND2 ASN A 92 10.078 4.417 -13.469 1.00 0.00 N ATOM 0 H ASN A 92 7.139 1.737 -13.333 1.00 0.00 H new ATOM 0 HA ASN A 92 5.830 3.808 -14.990 1.00 0.00 H new ATOM 0 HB2 ASN A 92 8.038 4.928 -15.139 1.00 0.00 H new ATOM 0 HB3 ASN A 92 7.414 4.924 -13.501 1.00 0.00 H new ATOM 0 HD21 ASN A 92 10.958 4.023 -13.137 1.00 0.00 H new ATOM 0 HD22 ASN A 92 9.967 5.428 -13.541 1.00 0.00 H new ATOM 1393 N LYS A 93 7.395 3.133 -17.031 1.00 0.00 N ATOM 1394 CA LYS A 93 7.856 2.477 -18.249 1.00 0.00 C ATOM 1395 C LYS A 93 8.967 1.478 -17.941 1.00 0.00 C ATOM 1396 O LYS A 93 8.978 0.365 -18.468 1.00 0.00 O ATOM 1397 CB LYS A 93 8.354 3.515 -19.256 1.00 0.00 C ATOM 1398 CG LYS A 93 9.532 4.332 -18.755 1.00 0.00 C ATOM 1399 CD LYS A 93 10.109 5.211 -19.852 1.00 0.00 C ATOM 1400 CE LYS A 93 9.347 6.522 -19.974 1.00 0.00 C ATOM 1401 NZ LYS A 93 9.971 7.435 -20.971 1.00 0.00 N ATOM 0 H LYS A 93 7.227 4.134 -17.130 1.00 0.00 H new ATOM 0 HA LYS A 93 7.014 1.936 -18.681 1.00 0.00 H new ATOM 0 HB2 LYS A 93 8.640 3.007 -20.177 1.00 0.00 H new ATOM 0 HB3 LYS A 93 7.535 4.189 -19.505 1.00 0.00 H new ATOM 0 HG2 LYS A 93 9.215 4.954 -17.918 1.00 0.00 H new ATOM 0 HG3 LYS A 93 10.306 3.663 -18.379 1.00 0.00 H new ATOM 0 HD2 LYS A 93 11.158 5.417 -19.641 1.00 0.00 H new ATOM 0 HD3 LYS A 93 10.074 4.679 -20.803 1.00 0.00 H new ATOM 0 HE2 LYS A 93 8.316 6.317 -20.264 1.00 0.00 H new ATOM 0 HE3 LYS A 93 9.313 7.014 -19.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 9.423 8.317 -21.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 10.946 7.651 -20.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 9.981 6.976 -21.904 1.00 0.00 H new ATOM 1415 N HIS A 94 9.899 1.881 -17.084 1.00 0.00 N ATOM 1416 CA HIS A 94 11.013 1.020 -16.704 1.00 0.00 C ATOM 1417 C HIS A 94 10.508 -0.275 -16.074 1.00 0.00 C ATOM 1418 O HIS A 94 10.656 -1.354 -16.647 1.00 0.00 O ATOM 1419 CB HIS A 94 11.939 1.748 -15.729 1.00 0.00 C ATOM 1420 CG HIS A 94 12.405 3.081 -16.228 1.00 0.00 C ATOM 1421 ND1 HIS A 94 12.987 3.260 -17.465 1.00 0.00 N ATOM 1422 CD2 HIS A 94 12.370 4.304 -15.650 1.00 0.00 C ATOM 1423 CE1 HIS A 94 13.292 4.535 -17.626 1.00 0.00 C ATOM 1424 NE2 HIS A 94 12.928 5.191 -16.538 1.00 0.00 N ATOM 0 H HIS A 94 9.905 2.799 -16.639 1.00 0.00 H new ATOM 0 HA HIS A 94 11.572 0.771 -17.606 1.00 0.00 H new ATOM 0 HB2 HIS A 94 11.419 1.886 -14.781 1.00 0.00 H new ATOM 0 HB3 HIS A 94 12.807 1.121 -15.528 1.00 0.00 H new ATOM 0 HD1 HIS A 94 13.156 2.523 -18.149 1.00 0.00 H new ATOM 0 HD2 HIS A 94 11.976 4.539 -14.672 1.00 0.00 H new ATOM 0 HE1 HIS A 94 13.759 4.968 -18.498 1.00 0.00 H new ATOM 1433 N GLY A 95 9.913 -0.159 -14.891 1.00 0.00 N ATOM 1434 CA GLY A 95 9.397 -1.328 -14.203 1.00 0.00 C ATOM 1435 C GLY A 95 9.127 -1.065 -12.735 1.00 0.00 C ATOM 1436 O GLY A 95 9.475 -0.014 -12.196 1.00 0.00 O ATOM 0 H GLY A 95 9.779 0.723 -14.397 1.00 0.00 H new ATOM 0 HA2 GLY A 95 8.475 -1.653 -14.686 1.00 0.00 H new ATOM 0 HA3 GLY A 95 10.111 -2.146 -14.297 1.00 0.00 H new ATOM 1440 N PRO A 96 8.489 -2.035 -12.063 1.00 0.00 N ATOM 1441 CA PRO A 96 8.156 -1.925 -10.640 1.00 0.00 C ATOM 1442 C PRO A 96 9.392 -1.986 -9.749 1.00 0.00 C ATOM 1443 O PRO A 96 10.028 -3.032 -9.624 1.00 0.00 O ATOM 1444 CB PRO A 96 7.257 -3.138 -10.391 1.00 0.00 C ATOM 1445 CG PRO A 96 7.652 -4.123 -11.436 1.00 0.00 C ATOM 1446 CD PRO A 96 8.043 -3.313 -12.641 1.00 0.00 C ATOM 0 HA PRO A 96 7.683 -0.972 -10.405 1.00 0.00 H new ATOM 0 HB2 PRO A 96 7.406 -3.542 -9.390 1.00 0.00 H new ATOM 0 HB3 PRO A 96 6.203 -2.873 -10.475 1.00 0.00 H new ATOM 0 HG2 PRO A 96 8.482 -4.742 -11.095 1.00 0.00 H new ATOM 0 HG3 PRO A 96 6.827 -4.797 -11.669 1.00 0.00 H new ATOM 0 HD2 PRO A 96 8.838 -3.796 -13.209 1.00 0.00 H new ATOM 0 HD3 PRO A 96 7.203 -3.175 -13.322 1.00 0.00 H new ATOM 1454 N GLY A 97 9.728 -0.857 -9.131 1.00 0.00 N ATOM 1455 CA GLY A 97 10.887 -0.805 -8.260 1.00 0.00 C ATOM 1456 C GLY A 97 10.650 -1.506 -6.937 1.00 0.00 C ATOM 1457 O GLY A 97 10.307 -2.688 -6.905 1.00 0.00 O ATOM 0 H GLY A 97 9.218 0.022 -9.218 1.00 0.00 H new ATOM 0 HA2 GLY A 97 11.737 -1.265 -8.764 1.00 0.00 H new ATOM 0 HA3 GLY A 97 11.151 0.236 -8.074 1.00 0.00 H new ATOM 1461 N VAL A 98 10.834 -0.777 -5.841 1.00 0.00 N ATOM 1462 CA VAL A 98 10.639 -1.336 -4.509 1.00 0.00 C ATOM 1463 C VAL A 98 9.194 -1.172 -4.050 1.00 0.00 C ATOM 1464 O VAL A 98 8.413 -0.451 -4.671 1.00 0.00 O ATOM 1465 CB VAL A 98 11.572 -0.672 -3.479 1.00 0.00 C ATOM 1466 CG1 VAL A 98 13.017 -0.735 -3.949 1.00 0.00 C ATOM 1467 CG2 VAL A 98 11.147 0.766 -3.225 1.00 0.00 C ATOM 0 H VAL A 98 11.118 0.203 -5.850 1.00 0.00 H new ATOM 0 HA VAL A 98 10.878 -2.397 -4.573 1.00 0.00 H new ATOM 0 HB VAL A 98 11.497 -1.220 -2.540 1.00 0.00 H new ATOM 0 HG11 VAL A 98 13.661 -0.261 -3.209 1.00 0.00 H new ATOM 0 HG12 VAL A 98 13.314 -1.776 -4.075 1.00 0.00 H new ATOM 0 HG13 VAL A 98 13.113 -0.213 -4.901 1.00 0.00 H new ATOM 0 HG21 VAL A 98 11.817 1.220 -2.495 1.00 0.00 H new ATOM 0 HG22 VAL A 98 11.192 1.329 -4.157 1.00 0.00 H new ATOM 0 HG23 VAL A 98 10.127 0.781 -2.840 1.00 0.00 H new ATOM 1477 N SER A 99 8.845 -1.844 -2.958 1.00 0.00 N ATOM 1478 CA SER A 99 7.493 -1.776 -2.417 1.00 0.00 C ATOM 1479 C SER A 99 7.511 -1.295 -0.969 1.00 0.00 C ATOM 1480 O SER A 99 8.064 -1.955 -0.090 1.00 0.00 O ATOM 1481 CB SER A 99 6.816 -3.145 -2.504 1.00 0.00 C ATOM 1482 OG SER A 99 5.504 -3.100 -1.970 1.00 0.00 O ATOM 0 H SER A 99 9.480 -2.442 -2.430 1.00 0.00 H new ATOM 0 HA SER A 99 6.926 -1.060 -3.012 1.00 0.00 H new ATOM 0 HB2 SER A 99 6.778 -3.470 -3.544 1.00 0.00 H new ATOM 0 HB3 SER A 99 7.408 -3.882 -1.961 1.00 0.00 H new ATOM 0 HG SER A 99 5.476 -3.602 -1.129 1.00 0.00 H new ATOM 1488 N THR A 100 6.901 -0.138 -0.729 1.00 0.00 N ATOM 1489 CA THR A 100 6.847 0.433 0.611 1.00 0.00 C ATOM 1490 C THR A 100 6.530 -0.635 1.652 1.00 0.00 C ATOM 1491 O THR A 100 5.930 -1.668 1.353 1.00 0.00 O ATOM 1492 CB THR A 100 5.792 1.552 0.702 1.00 0.00 C ATOM 1493 OG1 THR A 100 4.570 1.124 0.091 1.00 0.00 O ATOM 1494 CG2 THR A 100 6.288 2.820 0.023 1.00 0.00 C ATOM 0 H THR A 100 6.438 0.421 -1.445 1.00 0.00 H new ATOM 0 HA THR A 100 7.831 0.854 0.815 1.00 0.00 H new ATOM 0 HB THR A 100 5.614 1.769 1.755 1.00 0.00 H new ATOM 0 HG1 THR A 100 4.695 1.058 -0.879 1.00 0.00 H new ATOM 0 HG21 THR A 100 5.526 3.596 0.100 1.00 0.00 H new ATOM 0 HG22 THR A 100 7.202 3.160 0.510 1.00 0.00 H new ATOM 0 HG23 THR A 100 6.491 2.614 -1.028 1.00 0.00 H new ATOM 1502 N PRO A 101 6.940 -0.383 2.903 1.00 0.00 N ATOM 1503 CA PRO A 101 6.709 -1.311 4.014 1.00 0.00 C ATOM 1504 C PRO A 101 5.238 -1.389 4.408 1.00 0.00 C ATOM 1505 O PRO A 101 4.582 -0.366 4.603 1.00 0.00 O ATOM 1506 CB PRO A 101 7.536 -0.712 5.155 1.00 0.00 C ATOM 1507 CG PRO A 101 7.632 0.739 4.832 1.00 0.00 C ATOM 1508 CD PRO A 101 7.661 0.829 3.331 1.00 0.00 C ATOM 0 HA PRO A 101 6.989 -2.332 3.756 1.00 0.00 H new ATOM 0 HB2 PRO A 101 7.054 -0.872 6.119 1.00 0.00 H new ATOM 0 HB3 PRO A 101 8.523 -1.171 5.212 1.00 0.00 H new ATOM 0 HG2 PRO A 101 6.782 1.286 5.239 1.00 0.00 H new ATOM 0 HG3 PRO A 101 8.531 1.177 5.266 1.00 0.00 H new ATOM 0 HD2 PRO A 101 7.172 1.735 2.973 1.00 0.00 H new ATOM 0 HD3 PRO A 101 8.682 0.846 2.949 1.00 0.00 H new ATOM 1516 N ASP A 102 4.726 -2.609 4.523 1.00 0.00 N ATOM 1517 CA ASP A 102 3.332 -2.821 4.895 1.00 0.00 C ATOM 1518 C ASP A 102 2.916 -1.868 6.011 1.00 0.00 C ATOM 1519 O ASP A 102 3.643 -1.683 6.987 1.00 0.00 O ATOM 1520 CB ASP A 102 3.114 -4.269 5.337 1.00 0.00 C ATOM 1521 CG ASP A 102 4.039 -4.675 6.467 1.00 0.00 C ATOM 1522 OD1 ASP A 102 5.269 -4.687 6.251 1.00 0.00 O ATOM 1523 OD2 ASP A 102 3.533 -4.981 7.568 1.00 0.00 O ATOM 0 H ASP A 102 5.255 -3.466 4.364 1.00 0.00 H new ATOM 0 HA ASP A 102 2.714 -2.619 4.020 1.00 0.00 H new ATOM 0 HB2 ASP A 102 2.079 -4.397 5.655 1.00 0.00 H new ATOM 0 HB3 ASP A 102 3.271 -4.933 4.487 1.00 0.00 H new ATOM 1528 N VAL A 103 1.742 -1.264 5.859 1.00 0.00 N ATOM 1529 CA VAL A 103 1.229 -0.329 6.854 1.00 0.00 C ATOM 1530 C VAL A 103 -0.096 -0.813 7.431 1.00 0.00 C ATOM 1531 O VAL A 103 -1.158 -0.285 7.103 1.00 0.00 O ATOM 1532 CB VAL A 103 1.032 1.076 6.255 1.00 0.00 C ATOM 1533 CG1 VAL A 103 0.222 1.951 7.199 1.00 0.00 C ATOM 1534 CG2 VAL A 103 2.377 1.715 5.944 1.00 0.00 C ATOM 0 H VAL A 103 1.128 -1.405 5.057 1.00 0.00 H new ATOM 0 HA VAL A 103 1.971 -0.276 7.650 1.00 0.00 H new ATOM 0 HB VAL A 103 0.477 0.980 5.322 1.00 0.00 H new ATOM 0 HG11 VAL A 103 0.093 2.940 6.758 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -0.755 1.498 7.366 1.00 0.00 H new ATOM 0 HG13 VAL A 103 0.747 2.043 8.150 1.00 0.00 H new ATOM 0 HG21 VAL A 103 2.219 2.707 5.521 1.00 0.00 H new ATOM 0 HG22 VAL A 103 2.960 1.800 6.861 1.00 0.00 H new ATOM 0 HG23 VAL A 103 2.916 1.097 5.227 1.00 0.00 H new ATOM 1544 N ALA A 104 -0.026 -1.822 8.294 1.00 0.00 N ATOM 1545 CA ALA A 104 -1.220 -2.376 8.920 1.00 0.00 C ATOM 1546 C ALA A 104 -1.900 -1.346 9.815 1.00 0.00 C ATOM 1547 O ALA A 104 -1.264 -0.746 10.682 1.00 0.00 O ATOM 1548 CB ALA A 104 -0.867 -3.622 9.720 1.00 0.00 C ATOM 0 H ALA A 104 0.845 -2.272 8.575 1.00 0.00 H new ATOM 0 HA ALA A 104 -1.919 -2.650 8.130 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -1.768 -4.025 10.182 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -0.434 -4.370 9.056 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -0.146 -3.364 10.496 1.00 0.00 H new ATOM 1554 N VAL A 105 -3.196 -1.144 9.598 1.00 0.00 N ATOM 1555 CA VAL A 105 -3.962 -0.186 10.386 1.00 0.00 C ATOM 1556 C VAL A 105 -5.333 -0.745 10.750 1.00 0.00 C ATOM 1557 O VAL A 105 -5.970 -1.426 9.946 1.00 0.00 O ATOM 1558 CB VAL A 105 -4.147 1.143 9.629 1.00 0.00 C ATOM 1559 CG1 VAL A 105 -5.050 0.948 8.421 1.00 0.00 C ATOM 1560 CG2 VAL A 105 -4.706 2.211 10.556 1.00 0.00 C ATOM 0 H VAL A 105 -3.737 -1.631 8.883 1.00 0.00 H new ATOM 0 HA VAL A 105 -3.394 -0.001 11.298 1.00 0.00 H new ATOM 0 HB VAL A 105 -3.172 1.477 9.274 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -5.169 1.897 7.899 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -4.603 0.217 7.747 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -6.026 0.590 8.750 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -4.830 3.143 10.004 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -5.672 1.887 10.943 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -4.017 2.370 11.386 1.00 0.00 H new ATOM 1570 N ARG A 106 -5.781 -0.453 11.967 1.00 0.00 N ATOM 1571 CA ARG A 106 -7.076 -0.927 12.438 1.00 0.00 C ATOM 1572 C ARG A 106 -8.153 0.135 12.230 1.00 0.00 C ATOM 1573 O ARG A 106 -7.978 1.294 12.607 1.00 0.00 O ATOM 1574 CB ARG A 106 -6.997 -1.305 13.918 1.00 0.00 C ATOM 1575 CG ARG A 106 -8.227 -2.041 14.426 1.00 0.00 C ATOM 1576 CD ARG A 106 -8.408 -1.856 15.924 1.00 0.00 C ATOM 1577 NE ARG A 106 -8.749 -0.478 16.269 1.00 0.00 N ATOM 1578 CZ ARG A 106 -8.462 0.079 17.440 1.00 0.00 C ATOM 1579 NH1 ARG A 106 -7.833 -0.620 18.374 1.00 0.00 N ATOM 1580 NH2 ARG A 106 -8.805 1.339 17.679 1.00 0.00 N ATOM 0 H ARG A 106 -5.266 0.110 12.644 1.00 0.00 H new ATOM 0 HA ARG A 106 -7.344 -1.810 11.858 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -6.118 -1.930 14.078 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -6.856 -0.400 14.508 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -9.112 -1.677 13.904 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -8.137 -3.103 14.198 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -9.193 -2.523 16.279 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -7.490 -2.142 16.438 1.00 0.00 H new ATOM 0 HE ARG A 106 -9.234 0.087 15.572 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -7.568 -1.588 18.194 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -7.614 -0.189 19.272 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -9.289 1.880 16.963 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -8.584 1.766 18.579 1.00 0.00 H new ATOM 1594 N THR A 107 -9.267 -0.269 11.627 1.00 0.00 N ATOM 1595 CA THR A 107 -10.370 0.646 11.367 1.00 0.00 C ATOM 1596 C THR A 107 -11.053 1.066 12.664 1.00 0.00 C ATOM 1597 O THR A 107 -10.684 0.612 13.747 1.00 0.00 O ATOM 1598 CB THR A 107 -11.417 0.014 10.431 1.00 0.00 C ATOM 1599 OG1 THR A 107 -11.756 -1.299 10.891 1.00 0.00 O ATOM 1600 CG2 THR A 107 -10.890 -0.064 9.005 1.00 0.00 C ATOM 0 H THR A 107 -9.428 -1.225 11.310 1.00 0.00 H new ATOM 0 HA THR A 107 -9.944 1.524 10.882 1.00 0.00 H new ATOM 0 HB THR A 107 -12.307 0.643 10.440 1.00 0.00 H new ATOM 0 HG1 THR A 107 -12.372 -1.719 10.256 1.00 0.00 H new ATOM 0 HG21 THR A 107 -11.646 -0.514 8.362 1.00 0.00 H new ATOM 0 HG22 THR A 107 -10.659 0.939 8.647 1.00 0.00 H new ATOM 0 HG23 THR A 107 -9.987 -0.674 8.984 1.00 0.00 H new ATOM 1608 N LEU A 108 -12.052 1.935 12.546 1.00 0.00 N ATOM 1609 CA LEU A 108 -12.788 2.416 13.710 1.00 0.00 C ATOM 1610 C LEU A 108 -13.825 1.391 14.160 1.00 0.00 C ATOM 1611 O LEU A 108 -14.316 0.597 13.358 1.00 0.00 O ATOM 1612 CB LEU A 108 -13.473 3.746 13.391 1.00 0.00 C ATOM 1613 CG LEU A 108 -12.591 4.818 12.752 1.00 0.00 C ATOM 1614 CD1 LEU A 108 -13.417 6.044 12.393 1.00 0.00 C ATOM 1615 CD2 LEU A 108 -11.450 5.197 13.685 1.00 0.00 C ATOM 0 H LEU A 108 -12.370 2.320 11.657 1.00 0.00 H new ATOM 0 HA LEU A 108 -12.077 2.567 14.522 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -14.312 3.549 12.724 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -13.888 4.149 14.315 1.00 0.00 H new ATOM 0 HG LEU A 108 -12.164 4.411 11.836 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -12.772 6.797 11.939 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -14.199 5.762 11.687 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -13.873 6.453 13.295 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -10.833 5.961 13.213 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -11.857 5.585 14.619 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -10.842 4.317 13.892 1.00 0.00 H new ATOM 1627 N SER A 109 -14.155 1.418 15.447 1.00 0.00 N ATOM 1628 CA SER A 109 -15.133 0.490 16.004 1.00 0.00 C ATOM 1629 C SER A 109 -16.451 1.201 16.298 1.00 0.00 C ATOM 1630 O SER A 109 -16.476 2.234 16.968 1.00 0.00 O ATOM 1631 CB SER A 109 -14.590 -0.149 17.284 1.00 0.00 C ATOM 1632 OG SER A 109 -15.637 -0.709 18.058 1.00 0.00 O ATOM 0 H SER A 109 -13.760 2.072 16.123 1.00 0.00 H new ATOM 0 HA SER A 109 -15.317 -0.291 15.266 1.00 0.00 H new ATOM 0 HB2 SER A 109 -13.867 -0.924 17.029 1.00 0.00 H new ATOM 0 HB3 SER A 109 -14.060 0.600 17.872 1.00 0.00 H new ATOM 0 HG SER A 109 -15.264 -1.112 18.870 1.00 0.00 H new ATOM 1638 N ASP A 110 -17.544 0.642 15.790 1.00 0.00 N ATOM 1639 CA ASP A 110 -18.866 1.220 15.998 1.00 0.00 C ATOM 1640 C ASP A 110 -19.271 1.137 17.466 1.00 0.00 C ATOM 1641 O ASP A 110 -19.550 2.154 18.102 1.00 0.00 O ATOM 1642 CB ASP A 110 -19.901 0.505 15.129 1.00 0.00 C ATOM 1643 CG ASP A 110 -19.914 -0.993 15.360 1.00 0.00 C ATOM 1644 OD1 ASP A 110 -18.891 -1.647 15.069 1.00 0.00 O ATOM 1645 OD2 ASP A 110 -20.948 -1.513 15.830 1.00 0.00 O ATOM 0 H ASP A 110 -17.540 -0.211 15.231 1.00 0.00 H new ATOM 0 HA ASP A 110 -18.825 2.271 15.710 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -20.891 0.911 15.339 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -19.691 0.706 14.079 1.00 0.00 H new ATOM 1650 N SER A 111 -19.302 -0.080 17.998 1.00 0.00 N ATOM 1651 CA SER A 111 -19.678 -0.297 19.391 1.00 0.00 C ATOM 1652 C SER A 111 -19.014 0.734 20.299 1.00 0.00 C ATOM 1653 O SER A 111 -17.953 1.268 19.979 1.00 0.00 O ATOM 1654 CB SER A 111 -19.290 -1.709 19.832 1.00 0.00 C ATOM 1655 OG SER A 111 -20.029 -2.687 19.122 1.00 0.00 O ATOM 0 H SER A 111 -19.071 -0.932 17.486 1.00 0.00 H new ATOM 0 HA SER A 111 -20.759 -0.184 19.472 1.00 0.00 H new ATOM 0 HB2 SER A 111 -18.224 -1.864 19.668 1.00 0.00 H new ATOM 0 HB3 SER A 111 -19.467 -1.821 20.902 1.00 0.00 H new ATOM 0 HG SER A 111 -19.761 -3.581 19.421 1.00 0.00 H new ATOM 1661 N GLY A 112 -19.648 1.007 21.436 1.00 0.00 N ATOM 1662 CA GLY A 112 -19.105 1.972 22.374 1.00 0.00 C ATOM 1663 C GLY A 112 -20.072 3.102 22.668 1.00 0.00 C ATOM 1664 O GLY A 112 -19.965 4.198 22.116 1.00 0.00 O ATOM 0 H GLY A 112 -20.527 0.577 21.724 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -18.849 1.465 23.305 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -18.180 2.385 21.971 1.00 0.00 H new ATOM 1668 N PRO A 113 -21.043 2.840 23.555 1.00 0.00 N ATOM 1669 CA PRO A 113 -22.052 3.831 23.940 1.00 0.00 C ATOM 1670 C PRO A 113 -21.463 4.965 24.773 1.00 0.00 C ATOM 1671 O PRO A 113 -21.680 6.140 24.479 1.00 0.00 O ATOM 1672 CB PRO A 113 -23.047 3.018 24.772 1.00 0.00 C ATOM 1673 CG PRO A 113 -22.252 1.877 25.306 1.00 0.00 C ATOM 1674 CD PRO A 113 -21.230 1.556 24.251 1.00 0.00 C ATOM 0 HA PRO A 113 -22.497 4.318 23.072 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -23.471 3.617 25.578 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -23.880 2.669 24.162 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -21.771 2.143 26.247 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -22.890 1.016 25.506 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -20.299 1.197 24.690 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -21.583 0.779 23.573 1.00 0.00 H new ATOM 1682 N SER A 114 -20.716 4.604 25.812 1.00 0.00 N ATOM 1683 CA SER A 114 -20.099 5.592 26.688 1.00 0.00 C ATOM 1684 C SER A 114 -19.421 6.691 25.876 1.00 0.00 C ATOM 1685 O SER A 114 -19.736 7.872 26.024 1.00 0.00 O ATOM 1686 CB SER A 114 -19.079 4.920 27.610 1.00 0.00 C ATOM 1687 OG SER A 114 -19.724 4.163 28.619 1.00 0.00 O ATOM 0 H SER A 114 -20.524 3.635 26.067 1.00 0.00 H new ATOM 0 HA SER A 114 -20.884 6.045 27.294 1.00 0.00 H new ATOM 0 HB2 SER A 114 -18.427 4.271 27.025 1.00 0.00 H new ATOM 0 HB3 SER A 114 -18.445 5.678 28.069 1.00 0.00 H new ATOM 0 HG SER A 114 -19.050 3.743 29.193 1.00 0.00 H new ATOM 1693 N SER A 115 -18.487 6.293 25.018 1.00 0.00 N ATOM 1694 CA SER A 115 -17.761 7.244 24.184 1.00 0.00 C ATOM 1695 C SER A 115 -17.834 6.843 22.713 1.00 0.00 C ATOM 1696 O SER A 115 -17.284 5.820 22.309 1.00 0.00 O ATOM 1697 CB SER A 115 -16.299 7.331 24.628 1.00 0.00 C ATOM 1698 OG SER A 115 -15.682 6.056 24.603 1.00 0.00 O ATOM 0 H SER A 115 -18.215 5.319 24.882 1.00 0.00 H new ATOM 0 HA SER A 115 -18.228 8.222 24.300 1.00 0.00 H new ATOM 0 HB2 SER A 115 -15.757 8.014 23.974 1.00 0.00 H new ATOM 0 HB3 SER A 115 -16.245 7.745 25.635 1.00 0.00 H new ATOM 0 HG SER A 115 -16.111 5.498 23.921 1.00 0.00 H new ATOM 1704 N GLY A 116 -18.519 7.659 21.917 1.00 0.00 N ATOM 1705 CA GLY A 116 -18.653 7.374 20.501 1.00 0.00 C ATOM 1706 C GLY A 116 -19.950 7.905 19.923 1.00 0.00 C ATOM 1707 O GLY A 116 -20.014 8.255 18.744 1.00 0.00 O ATOM 0 H GLY A 116 -18.983 8.512 22.228 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -17.813 7.814 19.964 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -18.603 6.297 20.344 1.00 0.00 H new TER 1711 GLY A 116