USER MOD reduce.3.24.130724 H: found=0, std=0, add=462, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 462 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 Single : A 2 ASN : amide:sc= 0 K(o=0,f=-0.99!) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 ASN :FLIP amide:sc= 0.826 F(o=-0.44,f=0.83) USER MOD Single : A 8 SER OG : rot 32:sc= 0.215 USER MOD Single : A -3 HIS :FLIP no HE2:sc= -0.0606 F(o=-0.84,f=-0.061) USER MOD Single : A -5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A -6 LYS NZ :NH3+ -157:sc= -2.29! (180deg=-2.45!) USER MOD Single : A -7 MET CE :methyl -173:sc= 0 (180deg=-0.0377) USER MOD Single : A -9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 8:sc= 0.723 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 39:sc= 0.0855 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= -0.0092 USER MOD Single : A 17 ASN : amide:sc= -0.849 K(o=-0.85,f=-4.4!) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -0.23 X(o=-0.23,f=-0.00016) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 103:sc= -2.76! USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0.0306 USER MOD Single : A -11 ASN : amide:sc= -0.322 X(o=-0.32,f=-0.018) USER MOD Single : A -14 LYS NZ :NH3+ 156:sc= -0.636 (180deg=-0.763) USER MOD Single : A -16 SER OG : rot 130:sc= -0.312 USER MOD Single : A -17 ASN : amide:sc= -0.33 X(o=-0.33,f=-0.063) USER MOD Single : A -18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A -18 MET N :NH3+ -126:sc= -0.0255 (180deg=-0.786) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A -18 2.676 -30.242 9.981 1.00 0.00 N ATOM 2 CA MET A -18 4.136 -29.962 10.032 1.00 0.00 C ATOM 3 C MET A -18 4.422 -28.667 10.785 1.00 0.00 C ATOM 4 O MET A -18 3.503 -27.976 11.224 1.00 0.00 O ATOM 5 CB MET A -18 4.663 -29.868 8.599 1.00 0.00 C ATOM 6 CG MET A -18 4.544 -31.168 7.820 1.00 0.00 C ATOM 7 SD MET A -18 6.030 -32.183 7.930 1.00 0.00 S ATOM 8 CE MET A -18 5.373 -33.665 8.690 1.00 0.00 C ATOM 0 H1 MET A -18 2.492 -31.197 10.351 1.00 0.00 H new ATOM 0 H2 MET A -18 2.168 -29.543 10.560 1.00 0.00 H new ATOM 0 H3 MET A -18 2.345 -30.182 8.997 1.00 0.00 H new ATOM 0 HA MET A -18 4.638 -30.769 10.565 1.00 0.00 H new ATOM 0 HB2 MET A -18 4.117 -29.086 8.071 1.00 0.00 H new ATOM 0 HB3 MET A -18 5.709 -29.564 8.625 1.00 0.00 H new ATOM 0 HG2 MET A -18 3.693 -31.735 8.196 1.00 0.00 H new ATOM 0 HG3 MET A -18 4.340 -30.942 6.773 1.00 0.00 H new ATOM 0 HE1 MET A -18 6.175 -34.391 8.824 1.00 0.00 H new ATOM 0 HE2 MET A -18 4.943 -33.416 9.660 1.00 0.00 H new ATOM 0 HE3 MET A -18 4.601 -34.091 8.049 1.00 0.00 H new ATOM 20 N ASN A -17 5.703 -28.345 10.931 1.00 0.00 N ATOM 21 CA ASN A -17 6.112 -27.133 11.630 1.00 0.00 C ATOM 22 C ASN A -17 6.193 -25.951 10.667 1.00 0.00 C ATOM 23 O ASN A -17 7.226 -25.288 10.564 1.00 0.00 O ATOM 24 CB ASN A -17 7.464 -27.347 12.314 1.00 0.00 C ATOM 25 CG ASN A -17 7.321 -27.899 13.719 1.00 0.00 C ATOM 26 OD1 ASN A -17 7.924 -28.916 14.062 1.00 0.00 O ATOM 27 ND2 ASN A -17 6.519 -27.230 14.539 1.00 0.00 N ATOM 0 H ASN A -17 6.476 -28.907 10.574 1.00 0.00 H new ATOM 0 HA ASN A -17 5.362 -26.908 12.388 1.00 0.00 H new ATOM 0 HB2 ASN A -17 8.066 -28.032 11.717 1.00 0.00 H new ATOM 0 HB3 ASN A -17 8.003 -26.400 12.352 1.00 0.00 H new ATOM 0 HD21 ASN A -17 6.383 -27.555 15.496 1.00 0.00 H new ATOM 0 HD22 ASN A -17 6.039 -26.392 14.212 1.00 0.00 H new ATOM 34 N SER A -16 5.096 -25.695 9.962 1.00 0.00 N ATOM 35 CA SER A -16 5.041 -24.595 9.006 1.00 0.00 C ATOM 36 C SER A -16 4.922 -23.252 9.721 1.00 0.00 C ATOM 37 O SER A -16 4.119 -23.095 10.642 1.00 0.00 O ATOM 38 CB SER A -16 3.862 -24.784 8.050 1.00 0.00 C ATOM 39 OG SER A -16 3.637 -23.616 7.279 1.00 0.00 O ATOM 0 H SER A -16 4.233 -26.234 10.035 1.00 0.00 H new ATOM 0 HA SER A -16 5.969 -24.598 8.435 1.00 0.00 H new ATOM 0 HB2 SER A -16 4.058 -25.628 7.388 1.00 0.00 H new ATOM 0 HB3 SER A -16 2.964 -25.027 8.619 1.00 0.00 H new ATOM 0 HG SER A -16 3.574 -23.857 6.331 1.00 0.00 H new ATOM 45 N VAL A -15 5.717 -22.282 9.284 1.00 0.00 N ATOM 46 CA VAL A -15 5.696 -20.956 9.887 1.00 0.00 C ATOM 47 C VAL A -15 4.787 -20.026 9.100 1.00 0.00 C ATOM 48 O VAL A -15 4.243 -19.065 9.643 1.00 0.00 O ATOM 49 CB VAL A -15 7.108 -20.343 9.958 1.00 0.00 C ATOM 50 CG1 VAL A -15 7.097 -19.068 10.786 1.00 0.00 C ATOM 51 CG2 VAL A -15 8.098 -21.348 10.528 1.00 0.00 C ATOM 0 H VAL A -15 6.381 -22.389 8.517 1.00 0.00 H new ATOM 0 HA VAL A -15 5.315 -21.070 10.902 1.00 0.00 H new ATOM 0 HB VAL A -15 7.424 -20.088 8.946 1.00 0.00 H new ATOM 0 HG11 VAL A -15 8.103 -18.650 10.824 1.00 0.00 H new ATOM 0 HG12 VAL A -15 6.421 -18.344 10.331 1.00 0.00 H new ATOM 0 HG13 VAL A -15 6.759 -19.294 11.797 1.00 0.00 H new ATOM 0 HG21 VAL A -15 9.090 -20.898 10.571 1.00 0.00 H new ATOM 0 HG22 VAL A -15 7.787 -21.636 11.532 1.00 0.00 H new ATOM 0 HG23 VAL A -15 8.128 -22.231 9.890 1.00 0.00 H new ATOM 61 N LYS A -14 4.596 -20.340 7.827 1.00 0.00 N ATOM 62 CA LYS A -14 3.716 -19.555 6.978 1.00 0.00 C ATOM 63 C LYS A -14 2.278 -20.003 7.194 1.00 0.00 C ATOM 64 O LYS A -14 1.342 -19.212 7.084 1.00 0.00 O ATOM 65 CB LYS A -14 4.104 -19.708 5.505 1.00 0.00 C ATOM 66 CG LYS A -14 3.262 -18.863 4.564 1.00 0.00 C ATOM 67 CD LYS A -14 3.610 -17.387 4.680 1.00 0.00 C ATOM 68 CE LYS A -14 2.618 -16.644 5.562 1.00 0.00 C ATOM 69 NZ LYS A -14 3.292 -15.952 6.694 1.00 0.00 N ATOM 0 H LYS A -14 5.039 -21.132 7.361 1.00 0.00 H new ATOM 0 HA LYS A -14 3.813 -18.502 7.244 1.00 0.00 H new ATOM 0 HB2 LYS A -14 5.153 -19.436 5.384 1.00 0.00 H new ATOM 0 HB3 LYS A -14 4.011 -20.756 5.220 1.00 0.00 H new ATOM 0 HG2 LYS A -14 3.417 -19.195 3.537 1.00 0.00 H new ATOM 0 HG3 LYS A -14 2.206 -19.008 4.790 1.00 0.00 H new ATOM 0 HD2 LYS A -14 4.614 -17.281 5.091 1.00 0.00 H new ATOM 0 HD3 LYS A -14 3.623 -16.937 3.687 1.00 0.00 H new ATOM 0 HE2 LYS A -14 2.075 -15.914 4.962 1.00 0.00 H new ATOM 0 HE3 LYS A -14 1.882 -17.347 5.953 1.00 0.00 H new ATOM 0 HZ1 LYS A -14 2.701 -15.160 7.019 1.00 0.00 H new ATOM 0 HZ2 LYS A -14 3.433 -16.623 7.476 1.00 0.00 H new ATOM 0 HZ3 LYS A -14 4.214 -15.589 6.379 1.00 0.00 H new ATOM 83 N GLU A -13 2.117 -21.283 7.524 1.00 0.00 N ATOM 84 CA GLU A -13 0.806 -21.847 7.782 1.00 0.00 C ATOM 85 C GLU A -13 0.329 -21.444 9.167 1.00 0.00 C ATOM 86 O GLU A -13 -0.837 -21.105 9.365 1.00 0.00 O ATOM 87 CB GLU A -13 0.843 -23.371 7.660 1.00 0.00 C ATOM 88 CG GLU A -13 -0.534 -24.013 7.638 1.00 0.00 C ATOM 89 CD GLU A -13 -0.488 -25.482 7.266 1.00 0.00 C ATOM 90 OE1 GLU A -13 0.162 -26.259 7.998 1.00 0.00 O ATOM 91 OE2 GLU A -13 -1.101 -25.856 6.245 1.00 0.00 O ATOM 0 H GLU A -13 2.886 -21.947 7.618 1.00 0.00 H new ATOM 0 HA GLU A -13 0.109 -21.458 7.040 1.00 0.00 H new ATOM 0 HB2 GLU A -13 1.375 -23.641 6.748 1.00 0.00 H new ATOM 0 HB3 GLU A -13 1.412 -23.780 8.495 1.00 0.00 H new ATOM 0 HG2 GLU A -13 -0.997 -23.905 8.619 1.00 0.00 H new ATOM 0 HG3 GLU A -13 -1.167 -23.482 6.927 1.00 0.00 H new ATOM 98 N LEU A -12 1.248 -21.476 10.122 1.00 0.00 N ATOM 99 CA LEU A -12 0.933 -21.103 11.495 1.00 0.00 C ATOM 100 C LEU A -12 0.748 -19.595 11.621 1.00 0.00 C ATOM 101 O LEU A -12 0.071 -19.117 12.532 1.00 0.00 O ATOM 102 CB LEU A -12 2.036 -21.577 12.444 1.00 0.00 C ATOM 103 CG LEU A -12 1.552 -22.055 13.815 1.00 0.00 C ATOM 104 CD1 LEU A -12 0.692 -20.993 14.481 1.00 0.00 C ATOM 105 CD2 LEU A -12 0.782 -23.361 13.681 1.00 0.00 C ATOM 0 H LEU A -12 2.217 -21.756 9.972 1.00 0.00 H new ATOM 0 HA LEU A -12 -0.003 -21.589 11.770 1.00 0.00 H new ATOM 0 HB2 LEU A -12 2.581 -22.390 11.965 1.00 0.00 H new ATOM 0 HB3 LEU A -12 2.744 -20.761 12.590 1.00 0.00 H new ATOM 0 HG LEU A -12 2.424 -22.231 14.445 1.00 0.00 H new ATOM 0 HD11 LEU A -12 0.358 -21.353 15.454 1.00 0.00 H new ATOM 0 HD12 LEU A -12 1.275 -20.082 14.612 1.00 0.00 H new ATOM 0 HD13 LEU A -12 -0.175 -20.782 13.855 1.00 0.00 H new ATOM 0 HD21 LEU A -12 0.445 -23.687 14.665 1.00 0.00 H new ATOM 0 HD22 LEU A -12 -0.082 -23.209 13.033 1.00 0.00 H new ATOM 0 HD23 LEU A -12 1.430 -24.123 13.249 1.00 0.00 H new ATOM 117 N ASN A -11 1.351 -18.848 10.701 1.00 0.00 N ATOM 118 CA ASN A -11 1.252 -17.395 10.713 1.00 0.00 C ATOM 119 C ASN A -11 -0.103 -16.937 10.191 1.00 0.00 C ATOM 120 O ASN A -11 -0.671 -15.956 10.672 1.00 0.00 O ATOM 121 CB ASN A -11 2.371 -16.774 9.876 1.00 0.00 C ATOM 122 CG ASN A -11 3.530 -16.292 10.727 1.00 0.00 C ATOM 123 OD1 ASN A -11 4.009 -15.169 10.565 1.00 0.00 O ATOM 124 ND2 ASN A -11 3.985 -17.139 11.641 1.00 0.00 N ATOM 0 H ASN A -11 1.913 -19.226 9.938 1.00 0.00 H new ATOM 0 HA ASN A -11 1.356 -17.061 11.745 1.00 0.00 H new ATOM 0 HB2 ASN A -11 2.733 -17.508 9.156 1.00 0.00 H new ATOM 0 HB3 ASN A -11 1.971 -15.937 9.304 1.00 0.00 H new ATOM 0 HD21 ASN A -11 4.762 -16.869 12.244 1.00 0.00 H new ATOM 0 HD22 ASN A -11 3.558 -18.060 11.740 1.00 0.00 H new ATOM 131 N VAL A -10 -0.612 -17.655 9.203 1.00 0.00 N ATOM 132 CA VAL A -10 -1.901 -17.334 8.604 1.00 0.00 C ATOM 133 C VAL A -10 -3.050 -17.727 9.529 1.00 0.00 C ATOM 134 O VAL A -10 -4.111 -17.103 9.520 1.00 0.00 O ATOM 135 CB VAL A -10 -2.076 -18.038 7.242 1.00 0.00 C ATOM 136 CG1 VAL A -10 -2.015 -19.549 7.403 1.00 0.00 C ATOM 137 CG2 VAL A -10 -3.381 -17.615 6.579 1.00 0.00 C ATOM 0 H VAL A -10 -0.151 -18.469 8.796 1.00 0.00 H new ATOM 0 HA VAL A -10 -1.922 -16.255 8.449 1.00 0.00 H new ATOM 0 HB VAL A -10 -1.253 -17.734 6.595 1.00 0.00 H new ATOM 0 HG11 VAL A -10 -2.141 -20.024 6.430 1.00 0.00 H new ATOM 0 HG12 VAL A -10 -1.049 -19.832 7.823 1.00 0.00 H new ATOM 0 HG13 VAL A -10 -2.811 -19.876 8.072 1.00 0.00 H new ATOM 0 HG21 VAL A -10 -3.484 -18.123 5.620 1.00 0.00 H new ATOM 0 HG22 VAL A -10 -4.219 -17.882 7.223 1.00 0.00 H new ATOM 0 HG23 VAL A -10 -3.375 -16.537 6.419 1.00 0.00 H new ATOM 147 N LYS A -9 -2.831 -18.768 10.326 1.00 0.00 N ATOM 148 CA LYS A -9 -3.847 -19.247 11.256 1.00 0.00 C ATOM 149 C LYS A -9 -4.163 -18.194 12.314 1.00 0.00 C ATOM 150 O LYS A -9 -5.321 -18.000 12.683 1.00 0.00 O ATOM 151 CB LYS A -9 -3.383 -20.540 11.929 1.00 0.00 C ATOM 152 CG LYS A -9 -3.711 -21.791 11.131 1.00 0.00 C ATOM 153 CD LYS A -9 -4.978 -22.461 11.641 1.00 0.00 C ATOM 154 CE LYS A -9 -5.813 -23.016 10.499 1.00 0.00 C ATOM 155 NZ LYS A -9 -6.496 -24.284 10.875 1.00 0.00 N ATOM 0 H LYS A -9 -1.959 -19.296 10.346 1.00 0.00 H new ATOM 0 HA LYS A -9 -4.756 -19.446 10.688 1.00 0.00 H new ATOM 0 HB2 LYS A -9 -2.306 -20.492 12.087 1.00 0.00 H new ATOM 0 HB3 LYS A -9 -3.846 -20.615 12.913 1.00 0.00 H new ATOM 0 HG2 LYS A -9 -3.833 -21.531 10.079 1.00 0.00 H new ATOM 0 HG3 LYS A -9 -2.878 -22.491 11.192 1.00 0.00 H new ATOM 0 HD2 LYS A -9 -4.714 -23.267 12.325 1.00 0.00 H new ATOM 0 HD3 LYS A -9 -5.568 -21.741 12.208 1.00 0.00 H new ATOM 0 HE2 LYS A -9 -6.557 -22.277 10.201 1.00 0.00 H new ATOM 0 HE3 LYS A -9 -5.174 -23.191 9.634 1.00 0.00 H new ATOM 0 HZ1 LYS A -9 -7.055 -24.630 10.069 1.00 0.00 H new ATOM 0 HZ2 LYS A -9 -5.785 -24.997 11.135 1.00 0.00 H new ATOM 0 HZ3 LYS A -9 -7.126 -24.112 11.685 1.00 0.00 H new ATOM 169 N GLU A -8 -3.126 -17.520 12.803 1.00 0.00 N ATOM 170 CA GLU A -8 -3.298 -16.491 13.823 1.00 0.00 C ATOM 171 C GLU A -8 -4.196 -15.371 13.322 1.00 0.00 C ATOM 172 O GLU A -8 -5.082 -14.899 14.035 1.00 0.00 O ATOM 173 CB GLU A -8 -1.939 -15.926 14.242 1.00 0.00 C ATOM 174 CG GLU A -8 -0.955 -16.988 14.706 1.00 0.00 C ATOM 175 CD GLU A -8 -1.126 -17.344 16.170 1.00 0.00 C ATOM 176 OE1 GLU A -8 -2.237 -17.768 16.552 1.00 0.00 O ATOM 177 OE2 GLU A -8 -0.149 -17.197 16.935 1.00 0.00 O ATOM 0 H GLU A -8 -2.160 -17.668 12.510 1.00 0.00 H new ATOM 0 HA GLU A -8 -3.775 -16.951 14.689 1.00 0.00 H new ATOM 0 HB2 GLU A -8 -1.506 -15.384 13.402 1.00 0.00 H new ATOM 0 HB3 GLU A -8 -2.087 -15.204 15.045 1.00 0.00 H new ATOM 0 HG2 GLU A -8 -1.083 -17.885 14.101 1.00 0.00 H new ATOM 0 HG3 GLU A -8 0.062 -16.633 14.539 1.00 0.00 H new ATOM 184 N MET A -7 -3.957 -14.952 12.092 1.00 0.00 N ATOM 185 CA MET A -7 -4.736 -13.888 11.476 1.00 0.00 C ATOM 186 C MET A -7 -6.127 -14.382 11.090 1.00 0.00 C ATOM 187 O MET A -7 -7.090 -13.612 11.078 1.00 0.00 O ATOM 188 CB MET A -7 -4.013 -13.349 10.240 1.00 0.00 C ATOM 189 CG MET A -7 -3.801 -14.394 9.157 1.00 0.00 C ATOM 190 SD MET A -7 -3.160 -13.691 7.627 1.00 0.00 S ATOM 191 CE MET A -7 -4.600 -13.812 6.570 1.00 0.00 C ATOM 0 H MET A -7 -3.224 -15.335 11.495 1.00 0.00 H new ATOM 0 HA MET A -7 -4.846 -13.085 12.205 1.00 0.00 H new ATOM 0 HB2 MET A -7 -4.587 -12.520 9.826 1.00 0.00 H new ATOM 0 HB3 MET A -7 -3.045 -12.948 10.541 1.00 0.00 H new ATOM 0 HG2 MET A -7 -3.109 -15.153 9.521 1.00 0.00 H new ATOM 0 HG3 MET A -7 -4.746 -14.897 8.953 1.00 0.00 H new ATOM 0 HE1 MET A -7 -4.329 -13.532 5.552 1.00 0.00 H new ATOM 0 HE2 MET A -7 -4.972 -14.837 6.578 1.00 0.00 H new ATOM 0 HE3 MET A -7 -5.377 -13.141 6.936 1.00 0.00 H new ATOM 201 N LYS A -6 -6.222 -15.671 10.771 1.00 0.00 N ATOM 202 CA LYS A -6 -7.490 -16.276 10.377 1.00 0.00 C ATOM 203 C LYS A -6 -8.567 -16.042 11.429 1.00 0.00 C ATOM 204 O LYS A -6 -9.606 -15.451 11.137 1.00 0.00 O ATOM 205 CB LYS A -6 -7.311 -17.776 10.137 1.00 0.00 C ATOM 206 CG LYS A -6 -8.430 -18.400 9.319 1.00 0.00 C ATOM 207 CD LYS A -6 -8.295 -18.064 7.843 1.00 0.00 C ATOM 208 CE LYS A -6 -7.601 -19.180 7.078 1.00 0.00 C ATOM 209 NZ LYS A -6 -6.158 -18.887 6.854 1.00 0.00 N ATOM 0 H LYS A -6 -5.433 -16.317 10.778 1.00 0.00 H new ATOM 0 HA LYS A -6 -7.812 -15.800 9.451 1.00 0.00 H new ATOM 0 HB2 LYS A -6 -6.363 -17.943 9.626 1.00 0.00 H new ATOM 0 HB3 LYS A -6 -7.249 -18.284 11.099 1.00 0.00 H new ATOM 0 HG2 LYS A -6 -8.418 -19.482 9.449 1.00 0.00 H new ATOM 0 HG3 LYS A -6 -9.393 -18.045 9.687 1.00 0.00 H new ATOM 0 HD2 LYS A -6 -9.283 -17.889 7.417 1.00 0.00 H new ATOM 0 HD3 LYS A -6 -7.731 -17.138 7.730 1.00 0.00 H new ATOM 0 HE2 LYS A -6 -7.700 -20.115 7.630 1.00 0.00 H new ATOM 0 HE3 LYS A -6 -8.096 -19.323 6.117 1.00 0.00 H new ATOM 0 HZ1 LYS A -6 -5.816 -19.431 6.036 1.00 0.00 H new ATOM 0 HZ2 LYS A -6 -6.035 -17.871 6.670 1.00 0.00 H new ATOM 0 HZ3 LYS A -6 -5.614 -19.154 7.699 1.00 0.00 H new ATOM 223 N GLN A -5 -8.322 -16.505 12.653 1.00 0.00 N ATOM 224 CA GLN A -5 -9.290 -16.330 13.725 1.00 0.00 C ATOM 225 C GLN A -5 -9.133 -14.973 14.404 1.00 0.00 C ATOM 226 O GLN A -5 -9.659 -14.746 15.493 1.00 0.00 O ATOM 227 CB GLN A -5 -9.103 -17.424 14.762 1.00 0.00 C ATOM 228 CG GLN A -5 -9.758 -18.744 14.388 1.00 0.00 C ATOM 229 CD GLN A -5 -8.762 -19.763 13.871 1.00 0.00 C ATOM 230 OE1 GLN A -5 -7.932 -20.275 14.623 1.00 0.00 O ATOM 231 NE2 GLN A -5 -8.838 -20.063 12.579 1.00 0.00 N ATOM 0 H GLN A -5 -7.471 -16.998 12.922 1.00 0.00 H new ATOM 0 HA GLN A -5 -10.287 -16.385 13.288 1.00 0.00 H new ATOM 0 HB2 GLN A -5 -8.036 -17.589 14.914 1.00 0.00 H new ATOM 0 HB3 GLN A -5 -9.512 -17.083 15.713 1.00 0.00 H new ATOM 0 HG2 GLN A -5 -10.270 -19.151 15.260 1.00 0.00 H new ATOM 0 HG3 GLN A -5 -10.518 -18.566 13.627 1.00 0.00 H new ATOM 0 HE21 GLN A -5 -9.541 -19.615 11.992 1.00 0.00 H new ATOM 0 HE22 GLN A -5 -8.193 -20.742 12.174 1.00 0.00 H new ATOM 240 N LEU A -4 -8.434 -14.070 13.738 1.00 0.00 N ATOM 241 CA LEU A -4 -8.229 -12.723 14.247 1.00 0.00 C ATOM 242 C LEU A -4 -9.340 -11.810 13.756 1.00 0.00 C ATOM 243 O LEU A -4 -10.222 -11.408 14.513 1.00 0.00 O ATOM 244 CB LEU A -4 -6.863 -12.185 13.815 1.00 0.00 C ATOM 245 CG LEU A -4 -6.047 -11.522 14.927 1.00 0.00 C ATOM 246 CD1 LEU A -4 -4.578 -11.448 14.541 1.00 0.00 C ATOM 247 CD2 LEU A -4 -6.590 -10.134 15.230 1.00 0.00 C ATOM 0 H LEU A -4 -7.995 -14.247 12.835 1.00 0.00 H new ATOM 0 HA LEU A -4 -8.252 -12.753 15.336 1.00 0.00 H new ATOM 0 HB2 LEU A -4 -6.281 -13.007 13.399 1.00 0.00 H new ATOM 0 HB3 LEU A -4 -7.011 -11.462 13.013 1.00 0.00 H new ATOM 0 HG LEU A -4 -6.134 -12.130 15.827 1.00 0.00 H new ATOM 0 HD11 LEU A -4 -4.014 -10.974 15.344 1.00 0.00 H new ATOM 0 HD12 LEU A -4 -4.195 -12.455 14.374 1.00 0.00 H new ATOM 0 HD13 LEU A -4 -4.471 -10.863 13.628 1.00 0.00 H new ATOM 0 HD21 LEU A -4 -5.998 -9.677 16.023 1.00 0.00 H new ATOM 0 HD22 LEU A -4 -6.533 -9.517 14.333 1.00 0.00 H new ATOM 0 HD23 LEU A -4 -7.629 -10.212 15.551 1.00 0.00 H new ATOM 259 N HIS A -3 -9.283 -11.504 12.468 1.00 0.00 N ATOM 260 CA HIS A -3 -10.273 -10.649 11.823 1.00 0.00 C ATOM 261 C HIS A -3 -10.567 -9.414 12.668 1.00 0.00 C ATOM 262 O HIS A -3 -11.677 -8.882 12.650 1.00 0.00 O ATOM 263 CB HIS A -3 -11.558 -11.438 11.570 1.00 0.00 C ATOM 264 CG HIS A -3 -12.400 -10.876 10.467 1.00 0.00 C ATOM 265 ND1 HIS A -3 -13.216 -9.795 10.436 1.00 0.00 N flip ATOM 266 CD2 HIS A -3 -12.467 -11.439 9.209 1.00 0.00 C flip ATOM 267 CE1 HIS A -3 -13.753 -9.727 9.175 1.00 0.00 C flip ATOM 268 NE2 HIS A -3 -13.286 -10.729 8.454 1.00 0.00 N flip ATOM 0 H HIS A -3 -8.552 -11.840 11.841 1.00 0.00 H new ATOM 0 HA HIS A -3 -9.866 -10.313 10.869 1.00 0.00 H new ATOM 0 HB2 HIS A -3 -11.300 -12.469 11.329 1.00 0.00 H new ATOM 0 HB3 HIS A -3 -12.146 -11.463 12.488 1.00 0.00 H new ATOM 0 HD1 HIS A -3 -13.397 -9.152 11.206 1.00 0.00 H new ATOM 0 HD2 HIS A -3 -11.933 -12.322 8.891 1.00 0.00 H new ATOM 0 HE1 HIS A -3 -14.446 -8.975 8.828 1.00 0.00 H new ATOM 277 N GLY A -2 -9.558 -8.964 13.406 1.00 0.00 N ATOM 278 CA GLY A -2 -9.719 -7.796 14.250 1.00 0.00 C ATOM 279 C GLY A -2 -8.433 -7.005 14.395 1.00 0.00 C ATOM 280 O GLY A -2 -7.432 -7.311 13.748 1.00 0.00 O ATOM 0 H GLY A -2 -8.631 -9.388 13.434 1.00 0.00 H new ATOM 0 HA2 GLY A -2 -10.493 -7.153 13.831 1.00 0.00 H new ATOM 0 HA3 GLY A -2 -10.063 -8.108 15.236 1.00 0.00 H new ATOM 284 N GLY A -1 -8.461 -5.985 15.247 1.00 0.00 N ATOM 285 CA GLY A -1 -7.283 -5.165 15.459 1.00 0.00 C ATOM 286 C GLY A -1 -6.657 -5.396 16.819 1.00 0.00 C ATOM 287 O GLY A -1 -7.298 -5.933 17.721 1.00 0.00 O ATOM 0 H GLY A -1 -9.278 -5.712 15.794 1.00 0.00 H new ATOM 0 HA2 GLY A -1 -6.549 -5.380 14.683 1.00 0.00 H new ATOM 0 HA3 GLY A -1 -7.553 -4.114 15.360 1.00 0.00 H new ATOM 291 N VAL A 1 -5.396 -4.988 16.965 1.00 0.00 N ATOM 292 CA VAL A 1 -4.666 -5.149 18.221 1.00 0.00 C ATOM 293 C VAL A 1 -4.866 -6.545 18.814 1.00 0.00 C ATOM 294 O VAL A 1 -5.405 -7.436 18.158 1.00 0.00 O ATOM 295 CB VAL A 1 -5.087 -4.081 19.256 1.00 0.00 C ATOM 296 CG1 VAL A 1 -4.880 -2.684 18.693 1.00 0.00 C ATOM 297 CG2 VAL A 1 -6.535 -4.278 19.683 1.00 0.00 C ATOM 0 H VAL A 1 -4.857 -4.541 16.223 1.00 0.00 H new ATOM 0 HA VAL A 1 -3.609 -5.019 17.989 1.00 0.00 H new ATOM 0 HB VAL A 1 -4.457 -4.195 20.138 1.00 0.00 H new ATOM 0 HG11 VAL A 1 -5.181 -1.944 19.435 1.00 0.00 H new ATOM 0 HG12 VAL A 1 -3.827 -2.543 18.447 1.00 0.00 H new ATOM 0 HG13 VAL A 1 -5.482 -2.562 17.793 1.00 0.00 H new ATOM 0 HG21 VAL A 1 -6.807 -3.514 20.411 1.00 0.00 H new ATOM 0 HG22 VAL A 1 -7.185 -4.197 18.812 1.00 0.00 H new ATOM 0 HG23 VAL A 1 -6.651 -5.265 20.132 1.00 0.00 H new ATOM 307 N ASN A 2 -4.428 -6.727 20.056 1.00 0.00 N ATOM 308 CA ASN A 2 -4.560 -8.012 20.731 1.00 0.00 C ATOM 309 C ASN A 2 -5.139 -7.829 22.130 1.00 0.00 C ATOM 310 O ASN A 2 -4.428 -7.941 23.129 1.00 0.00 O ATOM 311 CB ASN A 2 -3.202 -8.712 20.814 1.00 0.00 C ATOM 312 CG ASN A 2 -2.940 -9.608 19.619 1.00 0.00 C ATOM 313 OD1 ASN A 2 -3.360 -9.311 18.502 1.00 0.00 O ATOM 314 ND2 ASN A 2 -2.241 -10.713 19.851 1.00 0.00 N ATOM 0 H ASN A 2 -3.979 -6.001 20.614 1.00 0.00 H new ATOM 0 HA ASN A 2 -5.243 -8.633 20.151 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -2.414 -7.963 20.883 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -3.158 -9.306 21.727 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -2.033 -11.355 19.086 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -1.912 -10.920 20.794 1.00 0.00 H new ATOM 321 N TYR A 3 -6.437 -7.546 22.194 1.00 0.00 N ATOM 322 CA TYR A 3 -7.116 -7.345 23.469 1.00 0.00 C ATOM 323 C TYR A 3 -6.576 -6.107 24.181 1.00 0.00 C ATOM 324 O TYR A 3 -6.390 -6.107 25.398 1.00 0.00 O ATOM 325 CB TYR A 3 -6.956 -8.581 24.359 1.00 0.00 C ATOM 326 CG TYR A 3 -8.166 -9.486 24.360 1.00 0.00 C ATOM 327 CD1 TYR A 3 -8.378 -10.397 23.332 1.00 0.00 C ATOM 328 CD2 TYR A 3 -9.099 -9.432 25.388 1.00 0.00 C ATOM 329 CE1 TYR A 3 -9.483 -11.227 23.329 1.00 0.00 C ATOM 330 CE2 TYR A 3 -10.207 -10.257 25.392 1.00 0.00 C ATOM 331 CZ TYR A 3 -10.394 -11.152 24.361 1.00 0.00 C ATOM 332 OH TYR A 3 -11.496 -11.976 24.362 1.00 0.00 O ATOM 0 H TYR A 3 -7.040 -7.451 21.377 1.00 0.00 H new ATOM 0 HA TYR A 3 -8.177 -7.191 23.270 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -6.088 -9.149 24.025 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -6.752 -8.259 25.380 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -7.667 -10.457 22.521 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -8.955 -8.733 26.198 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -9.632 -11.930 22.523 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -10.923 -10.201 26.199 1.00 0.00 H new ATOM 0 HH TYR A 3 -12.037 -11.798 25.159 1.00 0.00 H new ATOM 342 N GLY A 4 -6.327 -5.051 23.412 1.00 0.00 N ATOM 343 CA GLY A 4 -5.813 -3.820 23.984 1.00 0.00 C ATOM 344 C GLY A 4 -4.372 -3.557 23.593 1.00 0.00 C ATOM 345 O GLY A 4 -4.027 -2.449 23.180 1.00 0.00 O ATOM 0 H GLY A 4 -6.472 -5.026 22.403 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -6.433 -2.985 23.658 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -5.889 -3.868 25.070 1.00 0.00 H new ATOM 349 N ASN A 5 -3.529 -4.580 23.715 1.00 0.00 N ATOM 350 CA ASN A 5 -2.118 -4.465 23.366 1.00 0.00 C ATOM 351 C ASN A 5 -1.382 -3.462 24.257 1.00 0.00 C ATOM 352 O ASN A 5 -0.207 -3.170 24.030 1.00 0.00 O ATOM 353 CB ASN A 5 -1.996 -4.051 21.910 1.00 0.00 C ATOM 354 CG ASN A 5 -0.689 -4.498 21.283 1.00 0.00 C ATOM 355 OD1 ASN A 5 -0.777 -5.405 20.317 1.00 0.00 O flip ATOM 356 ND2 ASN A 5 0.385 -4.035 21.664 1.00 0.00 N flip ATOM 0 H ASN A 5 -3.802 -5.502 24.055 1.00 0.00 H new ATOM 0 HA ASN A 5 -1.652 -5.438 23.523 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -2.828 -4.472 21.346 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -2.078 -2.967 21.837 1.00 0.00 H new ATOM 0 HD21 ASN A 5 0.405 -3.340 22.410 1.00 0.00 H new ATOM 0 HD22 ASN A 5 1.256 -4.347 21.234 1.00 0.00 H new ATOM 363 N GLY A 6 -2.068 -2.939 25.266 1.00 0.00 N ATOM 364 CA GLY A 6 -1.452 -1.980 26.165 1.00 0.00 C ATOM 365 C GLY A 6 -0.935 -0.752 25.441 1.00 0.00 C ATOM 366 O GLY A 6 0.158 -0.267 25.729 1.00 0.00 O ATOM 0 H GLY A 6 -3.040 -3.162 25.478 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -2.179 -1.675 26.918 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -0.628 -2.460 26.693 1.00 0.00 H new ATOM 370 N VAL A 7 -1.725 -0.247 24.498 1.00 0.00 N ATOM 371 CA VAL A 7 -1.343 0.933 23.731 1.00 0.00 C ATOM 372 C VAL A 7 -2.062 2.178 24.253 1.00 0.00 C ATOM 373 O VAL A 7 -2.552 2.195 25.382 1.00 0.00 O ATOM 374 CB VAL A 7 -1.633 0.731 22.222 1.00 0.00 C ATOM 375 CG1 VAL A 7 -3.063 1.118 21.864 1.00 0.00 C ATOM 376 CG2 VAL A 7 -0.629 1.500 21.373 1.00 0.00 C ATOM 0 H VAL A 7 -2.634 -0.637 24.247 1.00 0.00 H new ATOM 0 HA VAL A 7 -0.270 1.080 23.855 1.00 0.00 H new ATOM 0 HB VAL A 7 -1.523 -0.332 22.005 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -3.226 0.962 20.798 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -3.760 0.501 22.432 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -3.227 2.168 22.106 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -0.851 1.344 20.317 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -0.695 2.563 21.605 1.00 0.00 H new ATOM 0 HG23 VAL A 7 0.378 1.144 21.589 1.00 0.00 H new ATOM 386 N SER A 8 -2.118 3.214 23.427 1.00 0.00 N ATOM 387 CA SER A 8 -2.774 4.461 23.803 1.00 0.00 C ATOM 388 C SER A 8 -3.294 5.194 22.570 1.00 0.00 C ATOM 389 O SER A 8 -2.567 5.377 21.593 1.00 0.00 O ATOM 390 CB SER A 8 -1.805 5.359 24.575 1.00 0.00 C ATOM 391 OG SER A 8 -1.868 5.100 25.967 1.00 0.00 O ATOM 0 H SER A 8 -1.716 3.216 22.489 1.00 0.00 H new ATOM 0 HA SER A 8 -3.622 4.219 24.444 1.00 0.00 H new ATOM 0 HB2 SER A 8 -0.789 5.195 24.217 1.00 0.00 H new ATOM 0 HB3 SER A 8 -2.045 6.405 24.385 1.00 0.00 H new ATOM 0 HG SER A 8 -2.076 4.154 26.115 1.00 0.00 H new ATOM 397 N CYS A 9 -4.556 5.610 22.621 1.00 0.00 N ATOM 398 CA CYS A 9 -5.174 6.320 21.506 1.00 0.00 C ATOM 399 C CYS A 9 -5.630 7.712 21.932 1.00 0.00 C ATOM 400 O CYS A 9 -6.525 7.855 22.766 1.00 0.00 O ATOM 401 CB CYS A 9 -6.365 5.525 20.961 1.00 0.00 C ATOM 402 SG CYS A 9 -6.097 3.722 20.901 1.00 0.00 S ATOM 0 H CYS A 9 -5.171 5.468 23.423 1.00 0.00 H new ATOM 0 HA CYS A 9 -4.427 6.426 20.719 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -7.238 5.731 21.580 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -6.595 5.880 19.957 1.00 0.00 H new ATOM 407 N SER A 10 -5.012 8.736 21.352 1.00 0.00 N ATOM 408 CA SER A 10 -5.356 10.119 21.667 1.00 0.00 C ATOM 409 C SER A 10 -4.961 11.050 20.525 1.00 0.00 C ATOM 410 O SER A 10 -3.781 11.191 20.207 1.00 0.00 O ATOM 411 CB SER A 10 -4.663 10.556 22.959 1.00 0.00 C ATOM 412 OG SER A 10 -5.229 9.910 24.086 1.00 0.00 O ATOM 0 H SER A 10 -4.269 8.634 20.660 1.00 0.00 H new ATOM 0 HA SER A 10 -6.436 10.178 21.804 1.00 0.00 H new ATOM 0 HB2 SER A 10 -3.599 10.326 22.900 1.00 0.00 H new ATOM 0 HB3 SER A 10 -4.749 11.636 23.074 1.00 0.00 H new ATOM 0 HG SER A 10 -5.857 9.220 23.786 1.00 0.00 H new ATOM 418 N LYS A 11 -5.959 11.687 19.915 1.00 0.00 N ATOM 419 CA LYS A 11 -5.725 12.610 18.811 1.00 0.00 C ATOM 420 C LYS A 11 -5.106 11.916 17.600 1.00 0.00 C ATOM 421 O LYS A 11 -4.782 12.562 16.604 1.00 0.00 O ATOM 422 CB LYS A 11 -4.821 13.740 19.282 1.00 0.00 C ATOM 423 CG LYS A 11 -4.875 14.979 18.402 1.00 0.00 C ATOM 424 CD LYS A 11 -3.742 15.940 18.726 1.00 0.00 C ATOM 425 CE LYS A 11 -3.058 16.443 17.465 1.00 0.00 C ATOM 426 NZ LYS A 11 -2.092 15.447 16.923 1.00 0.00 N ATOM 0 H LYS A 11 -6.941 11.579 20.170 1.00 0.00 H new ATOM 0 HA LYS A 11 -6.690 13.007 18.496 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -5.100 14.016 20.299 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -3.794 13.378 19.321 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -4.816 14.685 17.354 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -5.832 15.483 18.539 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -4.132 16.786 19.291 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -3.011 15.441 19.363 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -3.810 16.668 16.709 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -2.536 17.375 17.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -1.647 15.827 16.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -1.360 15.251 17.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -2.594 14.566 16.692 1.00 0.00 H new ATOM 440 N THR A 12 -4.943 10.602 17.689 1.00 0.00 N ATOM 441 CA THR A 12 -4.367 9.830 16.607 1.00 0.00 C ATOM 442 C THR A 12 -4.896 8.398 16.636 1.00 0.00 C ATOM 443 O THR A 12 -5.480 7.967 17.631 1.00 0.00 O ATOM 444 CB THR A 12 -2.838 9.869 16.717 1.00 0.00 C ATOM 445 OG1 THR A 12 -2.304 10.847 15.845 1.00 0.00 O ATOM 446 CG2 THR A 12 -2.155 8.556 16.398 1.00 0.00 C ATOM 0 H THR A 12 -5.205 10.051 18.506 1.00 0.00 H new ATOM 0 HA THR A 12 -4.656 10.264 15.650 1.00 0.00 H new ATOM 0 HB THR A 12 -2.642 10.104 17.763 1.00 0.00 H new ATOM 0 HG1 THR A 12 -2.887 11.635 15.841 1.00 0.00 H new ATOM 0 HG21 THR A 12 -1.076 8.673 16.500 1.00 0.00 H new ATOM 0 HG22 THR A 12 -2.504 7.787 17.088 1.00 0.00 H new ATOM 0 HG23 THR A 12 -2.393 8.261 15.376 1.00 0.00 H new ATOM 454 N LYS A 13 -4.688 7.663 15.549 1.00 0.00 N ATOM 455 CA LYS A 13 -5.143 6.279 15.466 1.00 0.00 C ATOM 456 C LYS A 13 -4.656 5.479 16.672 1.00 0.00 C ATOM 457 O LYS A 13 -3.956 6.007 17.536 1.00 0.00 O ATOM 458 CB LYS A 13 -4.645 5.630 14.173 1.00 0.00 C ATOM 459 CG LYS A 13 -5.634 5.729 13.022 1.00 0.00 C ATOM 460 CD LYS A 13 -5.277 6.866 12.078 1.00 0.00 C ATOM 461 CE LYS A 13 -5.953 6.702 10.727 1.00 0.00 C ATOM 462 NZ LYS A 13 -5.054 7.093 9.605 1.00 0.00 N ATOM 0 H LYS A 13 -4.208 8.001 14.715 1.00 0.00 H new ATOM 0 HA LYS A 13 -6.233 6.279 15.464 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -3.708 6.101 13.877 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -4.427 4.579 14.364 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -5.649 4.788 12.471 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -6.638 5.883 13.416 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -5.575 7.816 12.522 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -4.196 6.902 11.943 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -6.263 5.665 10.600 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -6.857 7.310 10.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -5.552 6.967 8.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -4.779 8.090 9.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -4.203 6.495 9.618 1.00 0.00 H new ATOM 476 N CYS A 14 -5.028 4.206 16.728 1.00 0.00 N ATOM 477 CA CYS A 14 -4.625 3.344 17.832 1.00 0.00 C ATOM 478 C CYS A 14 -3.367 2.555 17.480 1.00 0.00 C ATOM 479 O CYS A 14 -3.196 1.415 17.912 1.00 0.00 O ATOM 480 CB CYS A 14 -5.758 2.386 18.199 1.00 0.00 C ATOM 481 SG CYS A 14 -7.068 3.140 19.216 1.00 0.00 S ATOM 0 H CYS A 14 -5.607 3.749 16.024 1.00 0.00 H new ATOM 0 HA CYS A 14 -4.403 3.978 18.690 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -6.202 1.998 17.283 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -5.340 1.535 18.736 1.00 0.00 H new ATOM 486 N SER A 15 -2.490 3.170 16.692 1.00 0.00 N ATOM 487 CA SER A 15 -1.246 2.529 16.281 1.00 0.00 C ATOM 488 C SER A 15 -0.247 3.565 15.777 1.00 0.00 C ATOM 489 O SER A 15 -0.064 3.729 14.571 1.00 0.00 O ATOM 490 CB SER A 15 -1.520 1.491 15.190 1.00 0.00 C ATOM 491 OG SER A 15 -0.312 1.014 14.625 1.00 0.00 O ATOM 0 H SER A 15 -2.619 4.113 16.325 1.00 0.00 H new ATOM 0 HA SER A 15 -0.817 2.027 17.148 1.00 0.00 H new ATOM 0 HB2 SER A 15 -2.083 0.657 15.610 1.00 0.00 H new ATOM 0 HB3 SER A 15 -2.140 1.933 14.410 1.00 0.00 H new ATOM 0 HG SER A 15 -0.514 0.351 13.932 1.00 0.00 H new ATOM 497 N VAL A 16 0.396 4.266 16.708 1.00 0.00 N ATOM 498 CA VAL A 16 1.374 5.290 16.354 1.00 0.00 C ATOM 499 C VAL A 16 2.443 4.736 15.418 1.00 0.00 C ATOM 500 O VAL A 16 2.875 3.592 15.563 1.00 0.00 O ATOM 501 CB VAL A 16 2.062 5.875 17.604 1.00 0.00 C ATOM 502 CG1 VAL A 16 2.836 4.796 18.345 1.00 0.00 C ATOM 503 CG2 VAL A 16 2.976 7.028 17.216 1.00 0.00 C ATOM 0 H VAL A 16 0.257 4.144 17.711 1.00 0.00 H new ATOM 0 HA VAL A 16 0.823 6.082 15.847 1.00 0.00 H new ATOM 0 HB VAL A 16 1.293 6.259 18.274 1.00 0.00 H new ATOM 0 HG11 VAL A 16 3.314 5.229 19.224 1.00 0.00 H new ATOM 0 HG12 VAL A 16 2.152 4.006 18.656 1.00 0.00 H new ATOM 0 HG13 VAL A 16 3.598 4.378 17.687 1.00 0.00 H new ATOM 0 HG21 VAL A 16 3.454 7.430 18.109 1.00 0.00 H new ATOM 0 HG22 VAL A 16 3.740 6.670 16.525 1.00 0.00 H new ATOM 0 HG23 VAL A 16 2.390 7.811 16.735 1.00 0.00 H new ATOM 513 N ASN A 17 2.866 5.557 14.463 1.00 0.00 N ATOM 514 CA ASN A 17 3.886 5.155 13.502 1.00 0.00 C ATOM 515 C ASN A 17 4.177 6.283 12.516 1.00 0.00 C ATOM 516 O ASN A 17 4.361 6.046 11.323 1.00 0.00 O ATOM 517 CB ASN A 17 3.439 3.900 12.747 1.00 0.00 C ATOM 518 CG ASN A 17 2.204 4.141 11.898 1.00 0.00 C ATOM 519 OD1 ASN A 17 1.730 5.270 11.778 1.00 0.00 O ATOM 520 ND2 ASN A 17 1.677 3.077 11.305 1.00 0.00 N ATOM 0 H ASN A 17 2.517 6.507 14.334 1.00 0.00 H new ATOM 0 HA ASN A 17 4.801 4.932 14.050 1.00 0.00 H new ATOM 0 HB2 ASN A 17 4.253 3.555 12.109 1.00 0.00 H new ATOM 0 HB3 ASN A 17 3.234 3.103 13.462 1.00 0.00 H new ATOM 0 HD21 ASN A 17 0.846 3.177 10.722 1.00 0.00 H new ATOM 0 HD22 ASN A 17 2.103 2.159 11.432 1.00 0.00 H new ATOM 527 N TRP A 18 4.208 7.512 13.021 1.00 0.00 N ATOM 528 CA TRP A 18 4.468 8.674 12.184 1.00 0.00 C ATOM 529 C TRP A 18 5.950 8.799 11.845 1.00 0.00 C ATOM 530 O TRP A 18 6.311 9.163 10.727 1.00 0.00 O ATOM 531 CB TRP A 18 3.982 9.950 12.876 1.00 0.00 C ATOM 532 CG TRP A 18 3.442 10.976 11.926 1.00 0.00 C ATOM 533 CD1 TRP A 18 3.680 11.057 10.583 1.00 0.00 C ATOM 534 CD2 TRP A 18 2.576 12.072 12.247 1.00 0.00 C ATOM 535 NE1 TRP A 18 3.014 12.134 10.051 1.00 0.00 N ATOM 536 CE2 TRP A 18 2.329 12.773 11.051 1.00 0.00 C ATOM 537 CE3 TRP A 18 1.985 12.527 13.428 1.00 0.00 C ATOM 538 CZ2 TRP A 18 1.517 13.903 11.004 1.00 0.00 C ATOM 539 CZ3 TRP A 18 1.178 13.649 13.380 1.00 0.00 C ATOM 540 CH2 TRP A 18 0.951 14.325 12.175 1.00 0.00 C ATOM 0 H TRP A 18 4.056 7.727 14.006 1.00 0.00 H new ATOM 0 HA TRP A 18 3.918 8.538 11.253 1.00 0.00 H new ATOM 0 HB2 TRP A 18 3.207 9.690 13.597 1.00 0.00 H new ATOM 0 HB3 TRP A 18 4.808 10.386 13.439 1.00 0.00 H new ATOM 0 HD1 TRP A 18 4.301 10.374 10.022 1.00 0.00 H new ATOM 0 HE1 TRP A 18 3.027 12.413 9.070 1.00 0.00 H new ATOM 0 HE3 TRP A 18 2.155 12.012 14.362 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 1.341 14.427 10.076 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 0.715 14.010 14.287 1.00 0.00 H new ATOM 0 HH2 TRP A 18 0.315 15.198 12.170 1.00 0.00 H new ATOM 551 N GLY A 19 6.803 8.495 12.818 1.00 0.00 N ATOM 552 CA GLY A 19 8.236 8.579 12.601 1.00 0.00 C ATOM 553 C GLY A 19 8.860 7.219 12.376 1.00 0.00 C ATOM 554 O GLY A 19 9.601 7.011 11.411 1.00 0.00 O ATOM 0 H GLY A 19 6.528 8.192 13.752 1.00 0.00 H new ATOM 0 HA2 GLY A 19 8.435 9.215 11.739 1.00 0.00 H new ATOM 0 HA3 GLY A 19 8.705 9.054 13.463 1.00 0.00 H new ATOM 558 N GLN A 20 8.552 6.280 13.263 1.00 0.00 N ATOM 559 CA GLN A 20 9.080 4.930 13.151 1.00 0.00 C ATOM 560 C GLN A 20 8.755 4.349 11.784 1.00 0.00 C ATOM 561 O GLN A 20 9.658 4.042 11.005 1.00 0.00 O ATOM 562 CB GLN A 20 8.510 4.036 14.254 1.00 0.00 C ATOM 563 CG GLN A 20 9.331 2.782 14.504 1.00 0.00 C ATOM 564 CD GLN A 20 8.732 1.898 15.582 1.00 0.00 C ATOM 565 OE1 GLN A 20 7.526 1.657 15.602 1.00 0.00 O ATOM 566 NE2 GLN A 20 9.577 1.411 16.483 1.00 0.00 N ATOM 0 H GLN A 20 7.940 6.430 14.065 1.00 0.00 H new ATOM 0 HA GLN A 20 10.163 4.973 13.266 1.00 0.00 H new ATOM 0 HB2 GLN A 20 8.447 4.609 15.179 1.00 0.00 H new ATOM 0 HB3 GLN A 20 7.493 3.748 13.988 1.00 0.00 H new ATOM 0 HG2 GLN A 20 9.412 2.214 13.577 1.00 0.00 H new ATOM 0 HG3 GLN A 20 10.343 3.066 14.793 1.00 0.00 H new ATOM 0 HE21 GLN A 20 10.570 1.638 16.426 1.00 0.00 H new ATOM 0 HE22 GLN A 20 9.233 0.810 17.232 1.00 0.00 H new ATOM 575 N ALA A 21 7.464 4.209 11.479 1.00 0.00 N ATOM 576 CA ALA A 21 7.068 3.675 10.185 1.00 0.00 C ATOM 577 C ALA A 21 7.458 4.593 9.044 1.00 0.00 C ATOM 578 O ALA A 21 7.326 4.247 7.870 1.00 0.00 O ATOM 579 CB ALA A 21 5.596 3.330 10.138 1.00 0.00 C ATOM 0 H ALA A 21 6.692 4.454 12.099 1.00 0.00 H new ATOM 0 HA ALA A 21 7.622 2.745 10.053 1.00 0.00 H new ATOM 0 HB1 ALA A 21 5.346 2.935 9.153 1.00 0.00 H new ATOM 0 HB2 ALA A 21 5.374 2.580 10.897 1.00 0.00 H new ATOM 0 HB3 ALA A 21 5.006 4.226 10.330 1.00 0.00 H new ATOM 585 N PHE A 22 7.985 5.737 9.403 1.00 0.00 N ATOM 586 CA PHE A 22 8.459 6.697 8.425 1.00 0.00 C ATOM 587 C PHE A 22 9.705 6.113 7.794 1.00 0.00 C ATOM 588 O PHE A 22 9.902 6.168 6.580 1.00 0.00 O ATOM 589 CB PHE A 22 8.769 8.046 9.077 1.00 0.00 C ATOM 590 CG PHE A 22 8.601 9.214 8.147 1.00 0.00 C ATOM 591 CD1 PHE A 22 7.338 9.673 7.811 1.00 0.00 C ATOM 592 CD2 PHE A 22 9.708 9.854 7.612 1.00 0.00 C ATOM 593 CE1 PHE A 22 7.181 10.748 6.957 1.00 0.00 C ATOM 594 CE2 PHE A 22 9.557 10.929 6.757 1.00 0.00 C ATOM 595 CZ PHE A 22 8.292 11.378 6.429 1.00 0.00 C ATOM 0 H PHE A 22 8.099 6.032 10.373 1.00 0.00 H new ATOM 0 HA PHE A 22 7.691 6.880 7.673 1.00 0.00 H new ATOM 0 HB2 PHE A 22 8.117 8.182 9.940 1.00 0.00 H new ATOM 0 HB3 PHE A 22 9.793 8.033 9.450 1.00 0.00 H new ATOM 0 HD1 PHE A 22 6.466 9.185 8.221 1.00 0.00 H new ATOM 0 HD2 PHE A 22 10.699 9.509 7.866 1.00 0.00 H new ATOM 0 HE1 PHE A 22 6.191 11.096 6.702 1.00 0.00 H new ATOM 0 HE2 PHE A 22 10.427 11.418 6.345 1.00 0.00 H new ATOM 0 HZ PHE A 22 8.172 12.219 5.762 1.00 0.00 H new ATOM 605 N GLN A 23 10.517 5.503 8.651 1.00 0.00 N ATOM 606 CA GLN A 23 11.731 4.836 8.222 1.00 0.00 C ATOM 607 C GLN A 23 11.371 3.491 7.590 1.00 0.00 C ATOM 608 O GLN A 23 12.137 2.933 6.805 1.00 0.00 O ATOM 609 CB GLN A 23 12.666 4.630 9.417 1.00 0.00 C ATOM 610 CG GLN A 23 13.824 5.615 9.459 1.00 0.00 C ATOM 611 CD GLN A 23 13.784 6.513 10.680 1.00 0.00 C ATOM 612 OE1 GLN A 23 13.244 7.619 10.634 1.00 0.00 O ATOM 613 NE2 GLN A 23 14.356 6.041 11.781 1.00 0.00 N ATOM 0 H GLN A 23 10.349 5.460 9.656 1.00 0.00 H new ATOM 0 HA GLN A 23 12.245 5.452 7.485 1.00 0.00 H new ATOM 0 HB2 GLN A 23 12.090 4.719 10.338 1.00 0.00 H new ATOM 0 HB3 GLN A 23 13.063 3.615 9.386 1.00 0.00 H new ATOM 0 HG2 GLN A 23 14.765 5.064 9.449 1.00 0.00 H new ATOM 0 HG3 GLN A 23 13.805 6.230 8.560 1.00 0.00 H new ATOM 0 HE21 GLN A 23 14.792 5.119 11.774 1.00 0.00 H new ATOM 0 HE22 GLN A 23 14.360 6.600 12.634 1.00 0.00 H new ATOM 622 N GLU A 24 10.184 2.982 7.941 1.00 0.00 N ATOM 623 CA GLU A 24 9.698 1.712 7.417 1.00 0.00 C ATOM 624 C GLU A 24 9.415 1.812 5.922 1.00 0.00 C ATOM 625 O GLU A 24 9.894 0.998 5.133 1.00 0.00 O ATOM 626 CB GLU A 24 8.429 1.280 8.151 1.00 0.00 C ATOM 627 CG GLU A 24 8.695 0.655 9.512 1.00 0.00 C ATOM 628 CD GLU A 24 9.612 -0.548 9.430 1.00 0.00 C ATOM 629 OE1 GLU A 24 10.843 -0.353 9.350 1.00 0.00 O ATOM 630 OE2 GLU A 24 9.100 -1.687 9.446 1.00 0.00 O ATOM 0 H GLU A 24 9.543 3.438 8.590 1.00 0.00 H new ATOM 0 HA GLU A 24 10.476 0.966 7.577 1.00 0.00 H new ATOM 0 HB2 GLU A 24 7.781 2.147 8.279 1.00 0.00 H new ATOM 0 HB3 GLU A 24 7.887 0.565 7.532 1.00 0.00 H new ATOM 0 HG2 GLU A 24 9.139 1.402 10.170 1.00 0.00 H new ATOM 0 HG3 GLU A 24 7.748 0.356 9.962 1.00 0.00 H new ATOM 637 N ARG A 25 8.628 2.816 5.544 1.00 0.00 N ATOM 638 CA ARG A 25 8.272 3.027 4.145 1.00 0.00 C ATOM 639 C ARG A 25 9.513 3.151 3.273 1.00 0.00 C ATOM 640 O ARG A 25 9.491 2.812 2.089 1.00 0.00 O ATOM 641 CB ARG A 25 7.406 4.280 4.003 1.00 0.00 C ATOM 642 CG ARG A 25 5.925 4.027 4.235 1.00 0.00 C ATOM 643 CD ARG A 25 5.148 5.329 4.353 1.00 0.00 C ATOM 644 NE ARG A 25 4.125 5.265 5.393 1.00 0.00 N ATOM 645 CZ ARG A 25 2.981 4.596 5.268 1.00 0.00 C ATOM 646 NH1 ARG A 25 2.710 3.935 4.148 1.00 0.00 N ATOM 647 NH2 ARG A 25 2.105 4.589 6.262 1.00 0.00 N ATOM 0 H ARG A 25 8.225 3.496 6.188 1.00 0.00 H new ATOM 0 HA ARG A 25 7.705 2.159 3.808 1.00 0.00 H new ATOM 0 HB2 ARG A 25 7.752 5.033 4.711 1.00 0.00 H new ATOM 0 HB3 ARG A 25 7.543 4.695 3.004 1.00 0.00 H new ATOM 0 HG2 ARG A 25 5.523 3.436 3.412 1.00 0.00 H new ATOM 0 HG3 ARG A 25 5.793 3.440 5.144 1.00 0.00 H new ATOM 0 HD2 ARG A 25 5.838 6.144 4.573 1.00 0.00 H new ATOM 0 HD3 ARG A 25 4.678 5.559 3.397 1.00 0.00 H new ATOM 0 HE ARG A 25 4.297 5.762 6.267 1.00 0.00 H new ATOM 0 HH11 ARG A 25 3.380 3.939 3.379 1.00 0.00 H new ATOM 0 HH12 ARG A 25 1.832 3.424 4.057 1.00 0.00 H new ATOM 0 HH21 ARG A 25 2.307 5.096 7.123 1.00 0.00 H new ATOM 0 HH22 ARG A 25 1.229 4.076 6.166 1.00 0.00 H new ATOM 661 N TYR A 26 10.594 3.634 3.865 1.00 0.00 N ATOM 662 CA TYR A 26 11.848 3.801 3.145 1.00 0.00 C ATOM 663 C TYR A 26 12.465 2.446 2.821 1.00 0.00 C ATOM 664 O TYR A 26 12.913 2.207 1.699 1.00 0.00 O ATOM 665 CB TYR A 26 12.826 4.644 3.966 1.00 0.00 C ATOM 666 CG TYR A 26 12.901 6.087 3.520 1.00 0.00 C ATOM 667 CD1 TYR A 26 13.702 6.462 2.447 1.00 0.00 C ATOM 668 CD2 TYR A 26 12.170 7.074 4.168 1.00 0.00 C ATOM 669 CE1 TYR A 26 13.772 7.779 2.036 1.00 0.00 C ATOM 670 CE2 TYR A 26 12.235 8.394 3.762 1.00 0.00 C ATOM 671 CZ TYR A 26 13.037 8.740 2.696 1.00 0.00 C ATOM 672 OH TYR A 26 13.104 10.053 2.288 1.00 0.00 O ATOM 0 H TYR A 26 10.629 3.918 4.844 1.00 0.00 H new ATOM 0 HA TYR A 26 11.639 4.319 2.209 1.00 0.00 H new ATOM 0 HB2 TYR A 26 12.530 4.611 5.015 1.00 0.00 H new ATOM 0 HB3 TYR A 26 13.819 4.200 3.901 1.00 0.00 H new ATOM 0 HD1 TYR A 26 14.279 5.712 1.927 1.00 0.00 H new ATOM 0 HD2 TYR A 26 11.540 6.806 5.003 1.00 0.00 H new ATOM 0 HE1 TYR A 26 14.400 8.054 1.201 1.00 0.00 H new ATOM 0 HE2 TYR A 26 11.661 9.150 4.277 1.00 0.00 H new ATOM 0 HH TYR A 26 12.525 10.602 2.857 1.00 0.00 H new ATOM 682 N THR A 27 12.482 1.559 3.811 1.00 0.00 N ATOM 683 CA THR A 27 13.039 0.224 3.631 1.00 0.00 C ATOM 684 C THR A 27 12.059 -0.676 2.888 1.00 0.00 C ATOM 685 O THR A 27 12.462 -1.532 2.100 1.00 0.00 O ATOM 686 CB THR A 27 13.390 -0.392 4.987 1.00 0.00 C ATOM 687 OG1 THR A 27 14.240 0.468 5.725 1.00 0.00 O ATOM 688 CG2 THR A 27 14.081 -1.734 4.872 1.00 0.00 C ATOM 0 H THR A 27 12.116 1.741 4.746 1.00 0.00 H new ATOM 0 HA THR A 27 13.947 0.312 3.035 1.00 0.00 H new ATOM 0 HB THR A 27 12.436 -0.534 5.496 1.00 0.00 H new ATOM 0 HG1 THR A 27 14.451 0.057 6.589 1.00 0.00 H new ATOM 0 HG21 THR A 27 14.302 -2.116 5.869 1.00 0.00 H new ATOM 0 HG22 THR A 27 13.429 -2.435 4.351 1.00 0.00 H new ATOM 0 HG23 THR A 27 15.010 -1.618 4.313 1.00 0.00 H new ATOM 696 N ALA A 28 10.769 -0.477 3.142 1.00 0.00 N ATOM 697 CA ALA A 28 9.733 -1.269 2.494 1.00 0.00 C ATOM 698 C ALA A 28 9.714 -1.018 0.992 1.00 0.00 C ATOM 699 O ALA A 28 9.424 -1.918 0.204 1.00 0.00 O ATOM 700 CB ALA A 28 8.373 -0.960 3.102 1.00 0.00 C ATOM 0 H ALA A 28 10.418 0.226 3.792 1.00 0.00 H new ATOM 0 HA ALA A 28 9.958 -2.323 2.658 1.00 0.00 H new ATOM 0 HB1 ALA A 28 7.609 -1.559 2.607 1.00 0.00 H new ATOM 0 HB2 ALA A 28 8.388 -1.197 4.166 1.00 0.00 H new ATOM 0 HB3 ALA A 28 8.147 0.098 2.969 1.00 0.00 H new ATOM 706 N GLY A 29 10.028 0.213 0.601 1.00 0.00 N ATOM 707 CA GLY A 29 10.043 0.564 -0.806 1.00 0.00 C ATOM 708 C GLY A 29 11.239 -0.017 -1.535 1.00 0.00 C ATOM 709 O GLY A 29 11.085 -0.702 -2.546 1.00 0.00 O ATOM 0 H GLY A 29 10.272 0.974 1.235 1.00 0.00 H new ATOM 0 HA2 GLY A 29 9.126 0.208 -1.276 1.00 0.00 H new ATOM 0 HA3 GLY A 29 10.052 1.649 -0.907 1.00 0.00 H new ATOM 713 N ILE A 30 12.434 0.256 -1.019 1.00 0.00 N ATOM 714 CA ILE A 30 13.659 -0.246 -1.629 1.00 0.00 C ATOM 715 C ILE A 30 13.703 -1.770 -1.595 1.00 0.00 C ATOM 716 O ILE A 30 14.294 -2.403 -2.470 1.00 0.00 O ATOM 717 CB ILE A 30 14.911 0.313 -0.924 1.00 0.00 C ATOM 718 CG1 ILE A 30 14.837 1.839 -0.840 1.00 0.00 C ATOM 719 CG2 ILE A 30 16.171 -0.122 -1.659 1.00 0.00 C ATOM 720 CD1 ILE A 30 16.050 2.467 -0.189 1.00 0.00 C ATOM 0 H ILE A 30 12.579 0.821 -0.182 1.00 0.00 H new ATOM 0 HA ILE A 30 13.658 0.091 -2.665 1.00 0.00 H new ATOM 0 HB ILE A 30 14.948 -0.087 0.089 1.00 0.00 H new ATOM 0 HG12 ILE A 30 14.723 2.245 -1.845 1.00 0.00 H new ATOM 0 HG13 ILE A 30 13.946 2.121 -0.279 1.00 0.00 H new ATOM 0 HG21 ILE A 30 17.047 0.280 -1.150 1.00 0.00 H new ATOM 0 HG22 ILE A 30 16.227 -1.210 -1.672 1.00 0.00 H new ATOM 0 HG23 ILE A 30 16.143 0.252 -2.682 1.00 0.00 H new ATOM 0 HD11 ILE A 30 15.929 3.550 -0.163 1.00 0.00 H new ATOM 0 HD12 ILE A 30 16.154 2.089 0.828 1.00 0.00 H new ATOM 0 HD13 ILE A 30 16.942 2.215 -0.762 1.00 0.00 H new ATOM 732 N ASN A 31 13.073 -2.355 -0.580 1.00 0.00 N ATOM 733 CA ASN A 31 13.039 -3.807 -0.436 1.00 0.00 C ATOM 734 C ASN A 31 12.432 -4.459 -1.673 1.00 0.00 C ATOM 735 O ASN A 31 13.056 -5.306 -2.311 1.00 0.00 O ATOM 736 CB ASN A 31 12.239 -4.199 0.810 1.00 0.00 C ATOM 737 CG ASN A 31 13.133 -4.577 1.975 1.00 0.00 C ATOM 738 OD1 ASN A 31 12.870 -5.548 2.683 1.00 0.00 O ATOM 739 ND2 ASN A 31 14.196 -3.808 2.180 1.00 0.00 N ATOM 0 H ASN A 31 12.580 -1.847 0.154 1.00 0.00 H new ATOM 0 HA ASN A 31 14.064 -4.162 -0.326 1.00 0.00 H new ATOM 0 HB2 ASN A 31 11.597 -3.368 1.103 1.00 0.00 H new ATOM 0 HB3 ASN A 31 11.585 -5.038 0.570 1.00 0.00 H new ATOM 0 HD21 ASN A 31 14.833 -4.013 2.950 1.00 0.00 H new ATOM 0 HD22 ASN A 31 14.376 -3.012 1.568 1.00 0.00 H new ATOM 746 N SER A 32 11.212 -4.053 -2.011 1.00 0.00 N ATOM 747 CA SER A 32 10.524 -4.595 -3.176 1.00 0.00 C ATOM 748 C SER A 32 11.309 -4.298 -4.450 1.00 0.00 C ATOM 749 O SER A 32 11.302 -5.086 -5.396 1.00 0.00 O ATOM 750 CB SER A 32 9.115 -4.008 -3.283 1.00 0.00 C ATOM 751 OG SER A 32 8.469 -4.444 -4.465 1.00 0.00 O ATOM 0 H SER A 32 10.681 -3.352 -1.495 1.00 0.00 H new ATOM 0 HA SER A 32 10.449 -5.676 -3.056 1.00 0.00 H new ATOM 0 HB2 SER A 32 8.528 -4.304 -2.414 1.00 0.00 H new ATOM 0 HB3 SER A 32 9.170 -2.919 -3.275 1.00 0.00 H new ATOM 0 HG SER A 32 7.570 -4.056 -4.509 1.00 0.00 H new ATOM 757 N PHE A 33 11.986 -3.155 -4.464 1.00 0.00 N ATOM 758 CA PHE A 33 12.780 -2.750 -5.617 1.00 0.00 C ATOM 759 C PHE A 33 13.923 -3.730 -5.858 1.00 0.00 C ATOM 760 O PHE A 33 14.071 -4.271 -6.955 1.00 0.00 O ATOM 761 CB PHE A 33 13.333 -1.338 -5.413 1.00 0.00 C ATOM 762 CG PHE A 33 12.507 -0.270 -6.071 1.00 0.00 C ATOM 763 CD1 PHE A 33 12.387 -0.220 -7.451 1.00 0.00 C ATOM 764 CD2 PHE A 33 11.851 0.684 -5.310 1.00 0.00 C ATOM 765 CE1 PHE A 33 11.629 0.761 -8.060 1.00 0.00 C ATOM 766 CE2 PHE A 33 11.091 1.669 -5.913 1.00 0.00 C ATOM 767 CZ PHE A 33 10.980 1.707 -7.290 1.00 0.00 C ATOM 0 H PHE A 33 12.000 -2.492 -3.689 1.00 0.00 H new ATOM 0 HA PHE A 33 12.132 -2.753 -6.494 1.00 0.00 H new ATOM 0 HB2 PHE A 33 13.395 -1.132 -4.345 1.00 0.00 H new ATOM 0 HB3 PHE A 33 14.349 -1.294 -5.806 1.00 0.00 H new ATOM 0 HD1 PHE A 33 12.892 -0.957 -8.057 1.00 0.00 H new ATOM 0 HD2 PHE A 33 11.934 0.658 -4.234 1.00 0.00 H new ATOM 0 HE1 PHE A 33 11.544 0.789 -9.136 1.00 0.00 H new ATOM 0 HE2 PHE A 33 10.585 2.408 -5.309 1.00 0.00 H new ATOM 0 HZ PHE A 33 10.387 2.475 -7.764 1.00 0.00 H new ATOM 777 N VAL A 34 14.728 -3.958 -4.824 1.00 0.00 N ATOM 778 CA VAL A 34 15.857 -4.876 -4.923 1.00 0.00 C ATOM 779 C VAL A 34 15.404 -6.248 -5.404 1.00 0.00 C ATOM 780 O VAL A 34 15.659 -6.622 -6.544 1.00 0.00 O ATOM 781 CB VAL A 34 16.586 -5.019 -3.571 1.00 0.00 C ATOM 782 CG1 VAL A 34 17.801 -5.924 -3.708 1.00 0.00 C ATOM 783 CG2 VAL A 34 16.988 -3.653 -3.036 1.00 0.00 C ATOM 0 H VAL A 34 14.619 -3.520 -3.909 1.00 0.00 H new ATOM 0 HA VAL A 34 16.550 -4.454 -5.651 1.00 0.00 H new ATOM 0 HB VAL A 34 15.901 -5.478 -2.858 1.00 0.00 H new ATOM 0 HG11 VAL A 34 18.300 -6.011 -2.743 1.00 0.00 H new ATOM 0 HG12 VAL A 34 17.483 -6.911 -4.043 1.00 0.00 H new ATOM 0 HG13 VAL A 34 18.491 -5.499 -4.437 1.00 0.00 H new ATOM 0 HG21 VAL A 34 17.501 -3.773 -2.082 1.00 0.00 H new ATOM 0 HG22 VAL A 34 17.654 -3.165 -3.748 1.00 0.00 H new ATOM 0 HG23 VAL A 34 16.097 -3.041 -2.895 1.00 0.00 H new ATOM 793 N SER A 35 14.748 -7.007 -4.531 1.00 0.00 N ATOM 794 CA SER A 35 14.291 -8.339 -4.868 1.00 0.00 C ATOM 795 C SER A 35 13.566 -8.378 -6.189 1.00 0.00 C ATOM 796 O SER A 35 13.961 -9.125 -7.083 1.00 0.00 O ATOM 797 CB SER A 35 13.383 -8.886 -3.760 1.00 0.00 C ATOM 798 OG SER A 35 12.917 -10.187 -4.069 1.00 0.00 O ATOM 0 H SER A 35 14.523 -6.714 -3.580 1.00 0.00 H new ATOM 0 HA SER A 35 15.177 -8.967 -4.960 1.00 0.00 H new ATOM 0 HB2 SER A 35 13.930 -8.908 -2.817 1.00 0.00 H new ATOM 0 HB3 SER A 35 12.534 -8.217 -3.620 1.00 0.00 H new ATOM 0 HG SER A 35 13.418 -10.847 -3.546 1.00 0.00 H new ATOM 804 N GLY A 36 12.529 -7.576 -6.335 1.00 0.00 N ATOM 805 CA GLY A 36 11.817 -7.561 -7.597 1.00 0.00 C ATOM 806 C GLY A 36 12.789 -7.789 -8.736 1.00 0.00 C ATOM 807 O GLY A 36 12.545 -8.589 -9.639 1.00 0.00 O ATOM 0 H GLY A 36 12.169 -6.944 -5.619 1.00 0.00 H new ATOM 0 HA2 GLY A 36 11.049 -8.335 -7.601 1.00 0.00 H new ATOM 0 HA3 GLY A 36 11.308 -6.606 -7.727 1.00 0.00 H new ATOM 811 N VAL A 37 13.922 -7.095 -8.646 1.00 0.00 N ATOM 812 CA VAL A 37 14.988 -7.212 -9.609 1.00 0.00 C ATOM 813 C VAL A 37 16.013 -8.279 -9.208 1.00 0.00 C ATOM 814 O VAL A 37 16.132 -9.323 -9.850 1.00 0.00 O ATOM 815 CB VAL A 37 15.710 -5.862 -9.797 1.00 0.00 C ATOM 816 CG1 VAL A 37 16.767 -5.960 -10.890 1.00 0.00 C ATOM 817 CG2 VAL A 37 14.707 -4.764 -10.113 1.00 0.00 C ATOM 0 H VAL A 37 14.117 -6.434 -7.894 1.00 0.00 H new ATOM 0 HA VAL A 37 14.526 -7.515 -10.549 1.00 0.00 H new ATOM 0 HB VAL A 37 16.214 -5.610 -8.864 1.00 0.00 H new ATOM 0 HG11 VAL A 37 17.263 -4.996 -11.004 1.00 0.00 H new ATOM 0 HG12 VAL A 37 17.503 -6.716 -10.618 1.00 0.00 H new ATOM 0 HG13 VAL A 37 16.293 -6.238 -11.831 1.00 0.00 H new ATOM 0 HG21 VAL A 37 15.232 -3.818 -10.243 1.00 0.00 H new ATOM 0 HG22 VAL A 37 14.173 -5.012 -11.031 1.00 0.00 H new ATOM 0 HG23 VAL A 37 13.995 -4.674 -9.292 1.00 0.00 H new ATOM 827 N ALA A 38 16.782 -7.968 -8.158 1.00 0.00 N ATOM 828 CA ALA A 38 17.841 -8.834 -7.666 1.00 0.00 C ATOM 829 C ALA A 38 17.368 -9.932 -6.726 1.00 0.00 C ATOM 830 O ALA A 38 17.339 -11.114 -7.070 1.00 0.00 O ATOM 831 CB ALA A 38 18.908 -7.999 -6.968 1.00 0.00 C ATOM 0 H ALA A 38 16.680 -7.102 -7.628 1.00 0.00 H new ATOM 0 HA ALA A 38 18.245 -9.336 -8.545 1.00 0.00 H new ATOM 0 HB1 ALA A 38 19.699 -8.653 -6.601 1.00 0.00 H new ATOM 0 HB2 ALA A 38 19.328 -7.282 -7.673 1.00 0.00 H new ATOM 0 HB3 ALA A 38 18.461 -7.465 -6.130 1.00 0.00 H new ATOM 837 N SER A 39 17.066 -9.508 -5.507 1.00 0.00 N ATOM 838 CA SER A 39 16.663 -10.393 -4.428 1.00 0.00 C ATOM 839 C SER A 39 15.341 -11.128 -4.685 1.00 0.00 C ATOM 840 O SER A 39 14.805 -11.774 -3.784 1.00 0.00 O ATOM 841 CB SER A 39 16.607 -9.581 -3.141 1.00 0.00 C ATOM 842 OG SER A 39 17.078 -10.334 -2.036 1.00 0.00 O ATOM 0 H SER A 39 17.095 -8.525 -5.238 1.00 0.00 H new ATOM 0 HA SER A 39 17.406 -11.187 -4.350 1.00 0.00 H new ATOM 0 HB2 SER A 39 17.208 -8.678 -3.251 1.00 0.00 H new ATOM 0 HB3 SER A 39 15.582 -9.260 -2.955 1.00 0.00 H new ATOM 0 HG SER A 39 17.032 -9.787 -1.224 1.00 0.00 H new ATOM 848 N GLY A 40 14.818 -11.035 -5.906 1.00 0.00 N ATOM 849 CA GLY A 40 13.572 -11.705 -6.230 1.00 0.00 C ATOM 850 C GLY A 40 13.551 -12.239 -7.649 1.00 0.00 C ATOM 851 O GLY A 40 13.517 -13.450 -7.864 1.00 0.00 O ATOM 0 H GLY A 40 15.235 -10.509 -6.674 1.00 0.00 H new ATOM 0 HA2 GLY A 40 13.414 -12.528 -5.533 1.00 0.00 H new ATOM 0 HA3 GLY A 40 12.744 -11.010 -6.095 1.00 0.00 H new ATOM 855 N ALA A 41 13.569 -11.331 -8.620 1.00 0.00 N ATOM 856 CA ALA A 41 13.551 -11.715 -10.028 1.00 0.00 C ATOM 857 C ALA A 41 12.341 -12.588 -10.346 1.00 0.00 C ATOM 858 O ALA A 41 12.396 -13.443 -11.229 1.00 0.00 O ATOM 859 CB ALA A 41 14.838 -12.439 -10.391 1.00 0.00 C ATOM 0 H ALA A 41 13.596 -10.324 -8.458 1.00 0.00 H new ATOM 0 HA ALA A 41 13.475 -10.807 -10.626 1.00 0.00 H new ATOM 0 HB1 ALA A 41 14.813 -12.720 -11.444 1.00 0.00 H new ATOM 0 HB2 ALA A 41 15.688 -11.781 -10.212 1.00 0.00 H new ATOM 0 HB3 ALA A 41 14.937 -13.335 -9.778 1.00 0.00 H new ATOM 865 N GLY A 42 11.250 -12.367 -9.620 1.00 0.00 N ATOM 866 CA GLY A 42 10.043 -13.141 -9.840 1.00 0.00 C ATOM 867 C GLY A 42 10.255 -14.625 -9.618 1.00 0.00 C ATOM 868 O GLY A 42 10.024 -15.434 -10.517 1.00 0.00 O ATOM 0 H GLY A 42 11.181 -11.665 -8.883 1.00 0.00 H new ATOM 0 HA2 GLY A 42 9.260 -12.785 -9.170 1.00 0.00 H new ATOM 0 HA3 GLY A 42 9.690 -12.976 -10.858 1.00 0.00 H new ATOM 872 N SER A 43 10.697 -14.985 -8.417 1.00 0.00 N ATOM 873 CA SER A 43 10.943 -16.383 -8.079 1.00 0.00 C ATOM 874 C SER A 43 9.633 -17.129 -7.851 1.00 0.00 C ATOM 875 O SER A 43 9.559 -18.345 -8.029 1.00 0.00 O ATOM 876 CB SER A 43 11.825 -16.482 -6.834 1.00 0.00 C ATOM 877 OG SER A 43 11.432 -15.537 -5.854 1.00 0.00 O ATOM 0 H SER A 43 10.892 -14.328 -7.661 1.00 0.00 H new ATOM 0 HA SER A 43 11.460 -16.847 -8.919 1.00 0.00 H new ATOM 0 HB2 SER A 43 11.762 -17.488 -6.419 1.00 0.00 H new ATOM 0 HB3 SER A 43 12.867 -16.314 -7.108 1.00 0.00 H new ATOM 0 HG SER A 43 12.010 -15.622 -5.067 1.00 0.00 H new ATOM 883 N ILE A 44 8.604 -16.392 -7.455 1.00 0.00 N ATOM 884 CA ILE A 44 7.295 -16.979 -7.198 1.00 0.00 C ATOM 885 C ILE A 44 6.210 -15.906 -7.148 1.00 0.00 C ATOM 886 O ILE A 44 5.431 -15.837 -6.196 1.00 0.00 O ATOM 887 CB ILE A 44 7.290 -17.778 -5.879 1.00 0.00 C ATOM 888 CG1 ILE A 44 5.978 -18.550 -5.729 1.00 0.00 C ATOM 889 CG2 ILE A 44 7.510 -16.852 -4.688 1.00 0.00 C ATOM 890 CD1 ILE A 44 6.066 -19.986 -6.201 1.00 0.00 C ATOM 0 H ILE A 44 8.650 -15.384 -7.304 1.00 0.00 H new ATOM 0 HA ILE A 44 7.082 -17.659 -8.022 1.00 0.00 H new ATOM 0 HB ILE A 44 8.110 -18.495 -5.907 1.00 0.00 H new ATOM 0 HG12 ILE A 44 5.676 -18.538 -4.682 1.00 0.00 H new ATOM 0 HG13 ILE A 44 5.198 -18.038 -6.292 1.00 0.00 H new ATOM 0 HG21 ILE A 44 7.503 -17.435 -3.767 1.00 0.00 H new ATOM 0 HG22 ILE A 44 8.471 -16.349 -4.791 1.00 0.00 H new ATOM 0 HG23 ILE A 44 6.713 -16.109 -4.653 1.00 0.00 H new ATOM 0 HD11 ILE A 44 5.100 -20.473 -6.066 1.00 0.00 H new ATOM 0 HD12 ILE A 44 6.338 -20.006 -7.256 1.00 0.00 H new ATOM 0 HD13 ILE A 44 6.823 -20.514 -5.621 1.00 0.00 H new ATOM 902 N GLY A 45 6.165 -15.068 -8.179 1.00 0.00 N ATOM 903 CA GLY A 45 5.174 -14.009 -8.233 1.00 0.00 C ATOM 904 C GLY A 45 5.800 -12.636 -8.376 1.00 0.00 C ATOM 905 O GLY A 45 5.816 -12.063 -9.465 1.00 0.00 O ATOM 0 H GLY A 45 6.798 -15.104 -8.978 1.00 0.00 H new ATOM 0 HA2 GLY A 45 4.501 -14.187 -9.072 1.00 0.00 H new ATOM 0 HA3 GLY A 45 4.568 -14.036 -7.327 1.00 0.00 H new ATOM 909 N ARG A 46 6.317 -12.107 -7.271 1.00 0.00 N ATOM 910 CA ARG A 46 6.947 -10.792 -7.276 1.00 0.00 C ATOM 911 C ARG A 46 8.440 -10.903 -6.983 1.00 0.00 C ATOM 912 O ARG A 46 9.241 -10.389 -7.791 1.00 0.00 O ATOM 913 CB ARG A 46 6.280 -9.879 -6.245 1.00 0.00 C ATOM 914 CG ARG A 46 6.380 -10.396 -4.819 1.00 0.00 C ATOM 915 CD ARG A 46 5.633 -9.498 -3.846 1.00 0.00 C ATOM 916 NE ARG A 46 5.575 -10.073 -2.504 1.00 0.00 N ATOM 917 CZ ARG A 46 5.241 -9.383 -1.416 1.00 0.00 C ATOM 918 NH1 ARG A 46 4.933 -8.094 -1.507 1.00 0.00 N ATOM 919 NH2 ARG A 46 5.212 -9.982 -0.234 1.00 0.00 N ATOM 920 OXT ARG A 46 8.796 -11.506 -5.948 1.00 0.00 O ATOM 0 H ARG A 46 6.312 -12.569 -6.362 1.00 0.00 H new ATOM 0 HA ARG A 46 6.821 -10.360 -8.269 1.00 0.00 H new ATOM 0 HB2 ARG A 46 6.737 -8.891 -6.297 1.00 0.00 H new ATOM 0 HB3 ARG A 46 5.229 -9.758 -6.506 1.00 0.00 H new ATOM 0 HG2 ARG A 46 5.974 -11.406 -4.768 1.00 0.00 H new ATOM 0 HG3 ARG A 46 7.428 -10.459 -4.526 1.00 0.00 H new ATOM 0 HD2 ARG A 46 6.122 -8.525 -3.803 1.00 0.00 H new ATOM 0 HD3 ARG A 46 4.620 -9.330 -4.212 1.00 0.00 H new ATOM 0 HE ARG A 46 5.804 -11.061 -2.395 1.00 0.00 H new ATOM 0 HH11 ARG A 46 4.952 -7.628 -2.414 1.00 0.00 H new ATOM 0 HH12 ARG A 46 4.678 -7.570 -0.670 1.00 0.00 H new ATOM 0 HH21 ARG A 46 5.446 -10.972 -0.158 1.00 0.00 H new ATOM 0 HH22 ARG A 46 4.956 -9.453 0.600 1.00 0.00 H new TER 934 ARG A 46