USER MOD reduce.3.24.130724 H: found=0, std=0, add=857, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 853 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 42 ASN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Set 1.2: A 99 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 74 ASN : amide:sc= 0.273 K(o=0.56,f=0.028) USER MOD Set 2.2: A 76 THR OG1 : rot 87:sc= 0.287 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc=0.000865 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= -0.263 X(o=-0.26,f=-0.49) USER MOD Single : A 12 GLN : amide:sc= -0.0493 K(o=-0.049,f=-1.7!) USER MOD Single : A 13 GLN : amide:sc= -0.0604 X(o=-0.06,f=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0.0342 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HD1:sc= -0.0729 X(o=-0.073,f=0) USER MOD Single : A 44 GLN : amide:sc= -3.03! C(o=-3!,f=-6.8!) USER MOD Single : A 51 LYS NZ :NH3+ -155:sc= 0.0251 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 164:sc= 1.4 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ -124:sc= -0.103 (180deg=-0.127) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN :FLIP amide:sc= -0.143 F(o=-0.89,f=-0.14) USER MOD Single : A 73 ASN : amide:sc= -1.55 X(o=-1.6,f=-1.3) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 15:sc= -0.812 USER MOD Single : A 85 CYS SG : rot -119:sc= -1.31 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 HIS : no HE2:sc= -1.96! C(o=-2!,f=-2.6!) USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 97 LYS NZ :NH3+ -124:sc= -0.103 (180deg=-2.32!) USER MOD Single : A 100 HIS : no HD1:sc=-0.00314 X(o=-0.0031,f=0) USER MOD Single : A 104 ASN : amide:sc= -0.0125 K(o=-0.013,f=-0.67) USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 120 SER OG : rot 40:sc= 0.633 USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.687 -57.905 -17.935 1.00 0.00 N ATOM 2 CA GLY A 1 -1.286 -56.917 -16.995 1.00 0.00 C ATOM 3 C GLY A 1 -2.800 -56.898 -17.062 1.00 0.00 C ATOM 4 O GLY A 1 -3.472 -57.543 -16.256 1.00 0.00 O ATOM 0 H1 GLY A 1 0.349 -57.880 -17.851 1.00 0.00 H new ATOM 0 H2 GLY A 1 -1.030 -58.859 -17.701 1.00 0.00 H new ATOM 0 H3 GLY A 1 -0.962 -57.668 -18.910 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -0.973 -57.152 -15.978 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -0.903 -55.923 -17.225 1.00 0.00 H new ATOM 10 N SER A 2 -3.339 -56.156 -18.024 1.00 0.00 N ATOM 11 CA SER A 2 -4.784 -56.055 -18.193 1.00 0.00 C ATOM 12 C SER A 2 -5.230 -56.736 -19.483 1.00 0.00 C ATOM 13 O SER A 2 -4.412 -57.042 -20.349 1.00 0.00 O ATOM 14 CB SER A 2 -5.215 -54.587 -18.201 1.00 0.00 C ATOM 15 OG SER A 2 -4.173 -53.752 -18.674 1.00 0.00 O ATOM 0 H SER A 2 -2.797 -55.616 -18.698 1.00 0.00 H new ATOM 0 HA SER A 2 -5.260 -56.562 -17.354 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.096 -54.467 -18.832 1.00 0.00 H new ATOM 0 HB3 SER A 2 -5.500 -54.283 -17.194 1.00 0.00 H new ATOM 0 HG SER A 2 -4.474 -52.819 -18.671 1.00 0.00 H new ATOM 21 N SER A 3 -6.534 -56.968 -19.603 1.00 0.00 N ATOM 22 CA SER A 3 -7.089 -57.613 -20.788 1.00 0.00 C ATOM 23 C SER A 3 -8.019 -56.664 -21.537 1.00 0.00 C ATOM 24 O SER A 3 -9.015 -56.193 -20.988 1.00 0.00 O ATOM 25 CB SER A 3 -7.846 -58.883 -20.395 1.00 0.00 C ATOM 26 OG SER A 3 -7.250 -59.505 -19.270 1.00 0.00 O ATOM 0 H SER A 3 -7.225 -56.719 -18.895 1.00 0.00 H new ATOM 0 HA SER A 3 -6.263 -57.880 -21.447 1.00 0.00 H new ATOM 0 HB2 SER A 3 -8.884 -58.637 -20.171 1.00 0.00 H new ATOM 0 HB3 SER A 3 -7.858 -59.578 -21.235 1.00 0.00 H new ATOM 0 HG SER A 3 -7.753 -60.313 -19.038 1.00 0.00 H new ATOM 32 N GLY A 4 -7.688 -56.389 -22.795 1.00 0.00 N ATOM 33 CA GLY A 4 -8.504 -55.499 -23.599 1.00 0.00 C ATOM 34 C GLY A 4 -7.749 -54.933 -24.785 1.00 0.00 C ATOM 35 O GLY A 4 -7.729 -55.532 -25.861 1.00 0.00 O ATOM 0 H GLY A 4 -6.869 -56.767 -23.271 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -9.382 -56.038 -23.955 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -8.864 -54.680 -22.977 1.00 0.00 H new ATOM 39 N SER A 5 -7.125 -53.775 -24.590 1.00 0.00 N ATOM 40 CA SER A 5 -6.366 -53.128 -25.652 1.00 0.00 C ATOM 41 C SER A 5 -4.867 -53.308 -25.437 1.00 0.00 C ATOM 42 O SER A 5 -4.440 -53.957 -24.482 1.00 0.00 O ATOM 43 CB SER A 5 -6.708 -51.638 -25.718 1.00 0.00 C ATOM 44 OG SER A 5 -6.561 -51.138 -27.036 1.00 0.00 O ATOM 0 H SER A 5 -7.131 -53.266 -23.706 1.00 0.00 H new ATOM 0 HA SER A 5 -6.639 -53.598 -26.597 1.00 0.00 H new ATOM 0 HB2 SER A 5 -7.732 -51.481 -25.379 1.00 0.00 H new ATOM 0 HB3 SER A 5 -6.059 -51.083 -25.041 1.00 0.00 H new ATOM 0 HG SER A 5 -6.787 -50.185 -27.051 1.00 0.00 H new ATOM 50 N SER A 6 -4.071 -52.729 -26.331 1.00 0.00 N ATOM 51 CA SER A 6 -2.620 -52.826 -26.238 1.00 0.00 C ATOM 52 C SER A 6 -1.962 -51.496 -26.592 1.00 0.00 C ATOM 53 O SER A 6 -2.226 -50.923 -27.649 1.00 0.00 O ATOM 54 CB SER A 6 -2.101 -53.927 -27.164 1.00 0.00 C ATOM 55 OG SER A 6 -2.391 -55.212 -26.643 1.00 0.00 O ATOM 0 H SER A 6 -4.407 -52.188 -27.128 1.00 0.00 H new ATOM 0 HA SER A 6 -2.363 -53.076 -25.209 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.554 -53.820 -28.150 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.024 -53.819 -27.294 1.00 0.00 H new ATOM 0 HG SER A 6 -2.050 -55.898 -27.255 1.00 0.00 H new ATOM 61 N GLY A 7 -1.106 -51.009 -25.699 1.00 0.00 N ATOM 62 CA GLY A 7 -0.423 -49.751 -25.935 1.00 0.00 C ATOM 63 C GLY A 7 0.002 -49.071 -24.649 1.00 0.00 C ATOM 64 O GLY A 7 -0.804 -48.415 -23.990 1.00 0.00 O ATOM 0 H GLY A 7 -0.873 -51.464 -24.816 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.455 -49.929 -26.555 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.079 -49.085 -26.495 1.00 0.00 H new ATOM 68 N VAL A 8 1.272 -49.229 -24.291 1.00 0.00 N ATOM 69 CA VAL A 8 1.803 -48.626 -23.075 1.00 0.00 C ATOM 70 C VAL A 8 2.281 -47.201 -23.333 1.00 0.00 C ATOM 71 O VAL A 8 2.599 -46.838 -24.466 1.00 0.00 O ATOM 72 CB VAL A 8 2.972 -49.451 -22.500 1.00 0.00 C ATOM 73 CG1 VAL A 8 3.409 -48.896 -21.154 1.00 0.00 C ATOM 74 CG2 VAL A 8 2.583 -50.917 -22.379 1.00 0.00 C ATOM 0 H VAL A 8 1.952 -49.769 -24.826 1.00 0.00 H new ATOM 0 HA VAL A 8 0.990 -48.610 -22.350 1.00 0.00 H new ATOM 0 HB VAL A 8 3.815 -49.377 -23.187 1.00 0.00 H new ATOM 0 HG11 VAL A 8 4.235 -49.492 -20.765 1.00 0.00 H new ATOM 0 HG12 VAL A 8 3.733 -47.862 -21.275 1.00 0.00 H new ATOM 0 HG13 VAL A 8 2.573 -48.935 -20.456 1.00 0.00 H new ATOM 0 HG21 VAL A 8 3.421 -51.483 -21.972 1.00 0.00 H new ATOM 0 HG22 VAL A 8 1.724 -51.012 -21.715 1.00 0.00 H new ATOM 0 HG23 VAL A 8 2.326 -51.308 -23.364 1.00 0.00 H new ATOM 84 N GLU A 9 2.328 -46.397 -22.277 1.00 0.00 N ATOM 85 CA GLU A 9 2.766 -45.012 -22.389 1.00 0.00 C ATOM 86 C GLU A 9 3.294 -44.497 -21.053 1.00 0.00 C ATOM 87 O GLU A 9 2.566 -44.456 -20.061 1.00 0.00 O ATOM 88 CB GLU A 9 1.614 -44.128 -22.874 1.00 0.00 C ATOM 89 CG GLU A 9 1.901 -43.423 -24.190 1.00 0.00 C ATOM 90 CD GLU A 9 0.655 -42.829 -24.817 1.00 0.00 C ATOM 91 OE1 GLU A 9 -0.438 -43.402 -24.623 1.00 0.00 O ATOM 92 OE2 GLU A 9 0.772 -41.791 -25.501 1.00 0.00 O ATOM 0 H GLU A 9 2.068 -46.682 -21.333 1.00 0.00 H new ATOM 0 HA GLU A 9 3.576 -44.971 -23.117 1.00 0.00 H new ATOM 0 HB2 GLU A 9 0.720 -44.741 -22.987 1.00 0.00 H new ATOM 0 HB3 GLU A 9 1.394 -43.381 -22.111 1.00 0.00 H new ATOM 0 HG2 GLU A 9 2.631 -42.632 -24.022 1.00 0.00 H new ATOM 0 HG3 GLU A 9 2.352 -44.130 -24.886 1.00 0.00 H new ATOM 99 N HIS A 10 4.565 -44.107 -21.035 1.00 0.00 N ATOM 100 CA HIS A 10 5.190 -43.596 -19.821 1.00 0.00 C ATOM 101 C HIS A 10 6.571 -43.020 -20.122 1.00 0.00 C ATOM 102 O HIS A 10 7.578 -43.724 -20.045 1.00 0.00 O ATOM 103 CB HIS A 10 5.302 -44.707 -18.774 1.00 0.00 C ATOM 104 CG HIS A 10 4.684 -44.352 -17.457 1.00 0.00 C ATOM 105 ND1 HIS A 10 3.604 -43.509 -17.319 1.00 0.00 N ATOM 106 CD2 HIS A 10 5.016 -44.744 -16.201 1.00 0.00 C ATOM 107 CE1 HIS A 10 3.320 -43.417 -16.012 1.00 0.00 C ATOM 108 NE2 HIS A 10 4.147 -44.149 -15.292 1.00 0.00 N ATOM 0 H HIS A 10 5.181 -44.135 -21.847 1.00 0.00 H new ATOM 0 HA HIS A 10 4.562 -42.797 -19.426 1.00 0.00 H new ATOM 0 HB2 HIS A 10 4.824 -45.608 -19.159 1.00 0.00 H new ATOM 0 HB3 HIS A 10 6.354 -44.945 -18.620 1.00 0.00 H new ATOM 0 HD2 HIS A 10 5.826 -45.412 -15.947 1.00 0.00 H new ATOM 0 HE1 HIS A 10 2.518 -42.821 -15.602 1.00 0.00 H new ATOM 0 HE2 HIS A 10 4.149 -44.257 -14.278 1.00 0.00 H new ATOM 116 N GLU A 11 6.609 -41.737 -20.465 1.00 0.00 N ATOM 117 CA GLU A 11 7.866 -41.066 -20.778 1.00 0.00 C ATOM 118 C GLU A 11 8.088 -39.867 -19.860 1.00 0.00 C ATOM 119 O GLU A 11 7.144 -39.344 -19.267 1.00 0.00 O ATOM 120 CB GLU A 11 7.876 -40.612 -22.239 1.00 0.00 C ATOM 121 CG GLU A 11 9.263 -40.605 -22.864 1.00 0.00 C ATOM 122 CD GLU A 11 9.463 -41.736 -23.855 1.00 0.00 C ATOM 123 OE1 GLU A 11 8.895 -41.660 -24.965 1.00 0.00 O ATOM 124 OE2 GLU A 11 10.187 -42.697 -23.521 1.00 0.00 O ATOM 0 H GLU A 11 5.784 -41.141 -20.533 1.00 0.00 H new ATOM 0 HA GLU A 11 8.677 -41.777 -20.619 1.00 0.00 H new ATOM 0 HB2 GLU A 11 7.228 -41.269 -22.819 1.00 0.00 H new ATOM 0 HB3 GLU A 11 7.453 -39.610 -22.302 1.00 0.00 H new ATOM 0 HG2 GLU A 11 9.425 -39.652 -23.368 1.00 0.00 H new ATOM 0 HG3 GLU A 11 10.013 -40.680 -22.076 1.00 0.00 H new ATOM 131 N GLN A 12 9.341 -39.437 -19.750 1.00 0.00 N ATOM 132 CA GLN A 12 9.687 -38.301 -18.905 1.00 0.00 C ATOM 133 C GLN A 12 10.257 -37.157 -19.740 1.00 0.00 C ATOM 134 O GLN A 12 11.341 -37.274 -20.312 1.00 0.00 O ATOM 135 CB GLN A 12 10.697 -38.723 -17.834 1.00 0.00 C ATOM 136 CG GLN A 12 10.108 -38.783 -16.435 1.00 0.00 C ATOM 137 CD GLN A 12 11.172 -38.758 -15.354 1.00 0.00 C ATOM 138 OE1 GLN A 12 12.362 -38.630 -15.640 1.00 0.00 O ATOM 139 NE2 GLN A 12 10.746 -38.882 -14.102 1.00 0.00 N ATOM 0 H GLN A 12 10.133 -39.858 -20.236 1.00 0.00 H new ATOM 0 HA GLN A 12 8.777 -37.952 -18.416 1.00 0.00 H new ATOM 0 HB2 GLN A 12 11.100 -39.702 -18.092 1.00 0.00 H new ATOM 0 HB3 GLN A 12 11.533 -38.023 -17.838 1.00 0.00 H new ATOM 0 HG2 GLN A 12 9.431 -37.941 -16.293 1.00 0.00 H new ATOM 0 HG3 GLN A 12 9.513 -39.691 -16.334 1.00 0.00 H new ATOM 0 HE21 GLN A 12 9.750 -38.986 -13.910 1.00 0.00 H new ATOM 0 HE22 GLN A 12 11.415 -38.873 -13.332 1.00 0.00 H new ATOM 148 N GLN A 13 9.521 -36.053 -19.802 1.00 0.00 N ATOM 149 CA GLN A 13 9.952 -34.888 -20.567 1.00 0.00 C ATOM 150 C GLN A 13 9.105 -33.668 -20.222 1.00 0.00 C ATOM 151 O GLN A 13 7.927 -33.599 -20.572 1.00 0.00 O ATOM 152 CB GLN A 13 9.868 -35.176 -22.067 1.00 0.00 C ATOM 153 CG GLN A 13 10.511 -34.102 -22.928 1.00 0.00 C ATOM 154 CD GLN A 13 10.314 -34.349 -24.411 1.00 0.00 C ATOM 155 OE1 GLN A 13 9.833 -33.482 -25.139 1.00 0.00 O ATOM 156 NE2 GLN A 13 10.687 -35.541 -24.866 1.00 0.00 N ATOM 0 H GLN A 13 8.623 -35.940 -19.332 1.00 0.00 H new ATOM 0 HA GLN A 13 10.988 -34.674 -20.304 1.00 0.00 H new ATOM 0 HB2 GLN A 13 10.350 -36.132 -22.273 1.00 0.00 H new ATOM 0 HB3 GLN A 13 8.821 -35.279 -22.351 1.00 0.00 H new ATOM 0 HG2 GLN A 13 10.090 -33.131 -22.666 1.00 0.00 H new ATOM 0 HG3 GLN A 13 11.578 -34.057 -22.709 1.00 0.00 H new ATOM 0 HE21 GLN A 13 11.082 -36.230 -24.226 1.00 0.00 H new ATOM 0 HE22 GLN A 13 10.579 -35.766 -25.855 1.00 0.00 H new ATOM 165 N VAL A 14 9.713 -32.707 -19.535 1.00 0.00 N ATOM 166 CA VAL A 14 9.014 -31.489 -19.144 1.00 0.00 C ATOM 167 C VAL A 14 9.926 -30.273 -19.260 1.00 0.00 C ATOM 168 O VAL A 14 11.142 -30.406 -19.389 1.00 0.00 O ATOM 169 CB VAL A 14 8.485 -31.584 -17.700 1.00 0.00 C ATOM 170 CG1 VAL A 14 7.380 -32.623 -17.602 1.00 0.00 C ATOM 171 CG2 VAL A 14 9.618 -31.906 -16.737 1.00 0.00 C ATOM 0 H VAL A 14 10.688 -32.748 -19.238 1.00 0.00 H new ATOM 0 HA VAL A 14 8.171 -31.375 -19.825 1.00 0.00 H new ATOM 0 HB VAL A 14 8.066 -30.617 -17.422 1.00 0.00 H new ATOM 0 HG11 VAL A 14 7.020 -32.675 -16.575 1.00 0.00 H new ATOM 0 HG12 VAL A 14 6.558 -32.343 -18.261 1.00 0.00 H new ATOM 0 HG13 VAL A 14 7.769 -33.597 -17.900 1.00 0.00 H new ATOM 0 HG21 VAL A 14 9.226 -31.969 -15.722 1.00 0.00 H new ATOM 0 HG22 VAL A 14 10.069 -32.859 -17.012 1.00 0.00 H new ATOM 0 HG23 VAL A 14 10.372 -31.120 -16.786 1.00 0.00 H new ATOM 181 N THR A 15 9.328 -29.087 -19.215 1.00 0.00 N ATOM 182 CA THR A 15 10.086 -27.845 -19.316 1.00 0.00 C ATOM 183 C THR A 15 11.002 -27.669 -18.109 1.00 0.00 C ATOM 184 O THR A 15 12.152 -27.252 -18.246 1.00 0.00 O ATOM 185 CB THR A 15 9.136 -26.652 -19.429 1.00 0.00 C ATOM 186 OG1 THR A 15 9.862 -25.436 -19.473 1.00 0.00 O ATOM 187 CG2 THR A 15 8.154 -26.559 -18.282 1.00 0.00 C ATOM 0 H THR A 15 8.322 -28.960 -19.109 1.00 0.00 H new ATOM 0 HA THR A 15 10.703 -27.895 -20.213 1.00 0.00 H new ATOM 0 HB THR A 15 8.578 -26.813 -20.351 1.00 0.00 H new ATOM 0 HG1 THR A 15 9.237 -24.685 -19.547 1.00 0.00 H new ATOM 0 HG21 THR A 15 7.510 -25.691 -18.424 1.00 0.00 H new ATOM 0 HG22 THR A 15 7.544 -27.462 -18.251 1.00 0.00 H new ATOM 0 HG23 THR A 15 8.699 -26.457 -17.344 1.00 0.00 H new ATOM 195 N GLU A 16 10.484 -27.988 -16.927 1.00 0.00 N ATOM 196 CA GLU A 16 11.253 -27.865 -15.695 1.00 0.00 C ATOM 197 C GLU A 16 11.629 -26.410 -15.430 1.00 0.00 C ATOM 198 O GLU A 16 11.914 -25.654 -16.359 1.00 0.00 O ATOM 199 CB GLU A 16 12.516 -28.726 -15.766 1.00 0.00 C ATOM 200 CG GLU A 16 13.097 -29.070 -14.404 1.00 0.00 C ATOM 201 CD GLU A 16 14.517 -28.566 -14.229 1.00 0.00 C ATOM 202 OE1 GLU A 16 15.330 -28.749 -15.161 1.00 0.00 O ATOM 203 OE2 GLU A 16 14.815 -27.989 -13.163 1.00 0.00 O ATOM 0 H GLU A 16 9.533 -28.334 -16.797 1.00 0.00 H new ATOM 0 HA GLU A 16 10.630 -28.216 -14.873 1.00 0.00 H new ATOM 0 HB2 GLU A 16 12.286 -29.650 -16.297 1.00 0.00 H new ATOM 0 HB3 GLU A 16 13.271 -28.201 -16.351 1.00 0.00 H new ATOM 0 HG2 GLU A 16 12.465 -28.642 -13.626 1.00 0.00 H new ATOM 0 HG3 GLU A 16 13.080 -30.151 -14.269 1.00 0.00 H new ATOM 210 N SER A 17 11.629 -26.026 -14.158 1.00 0.00 N ATOM 211 CA SER A 17 11.971 -24.661 -13.771 1.00 0.00 C ATOM 212 C SER A 17 13.150 -24.649 -12.802 1.00 0.00 C ATOM 213 O SER A 17 13.426 -25.645 -12.134 1.00 0.00 O ATOM 214 CB SER A 17 10.763 -23.974 -13.133 1.00 0.00 C ATOM 215 OG SER A 17 9.810 -23.601 -14.113 1.00 0.00 O ATOM 0 H SER A 17 11.396 -26.640 -13.377 1.00 0.00 H new ATOM 0 HA SER A 17 12.258 -24.115 -14.670 1.00 0.00 H new ATOM 0 HB2 SER A 17 10.301 -24.644 -12.409 1.00 0.00 H new ATOM 0 HB3 SER A 17 11.091 -23.090 -12.586 1.00 0.00 H new ATOM 0 HG SER A 17 9.047 -23.166 -13.678 1.00 0.00 H new ATOM 221 N PRO A 18 13.864 -23.514 -12.711 1.00 0.00 N ATOM 222 CA PRO A 18 15.017 -23.375 -11.817 1.00 0.00 C ATOM 223 C PRO A 18 14.612 -23.366 -10.347 1.00 0.00 C ATOM 224 O PRO A 18 14.168 -22.345 -9.822 1.00 0.00 O ATOM 225 CB PRO A 18 15.619 -22.025 -12.215 1.00 0.00 C ATOM 226 CG PRO A 18 14.482 -21.260 -12.797 1.00 0.00 C ATOM 227 CD PRO A 18 13.602 -22.277 -13.472 1.00 0.00 C ATOM 0 HA PRO A 18 15.711 -24.210 -11.916 1.00 0.00 H new ATOM 0 HB2 PRO A 18 16.042 -21.510 -11.352 1.00 0.00 H new ATOM 0 HB3 PRO A 18 16.425 -22.149 -12.939 1.00 0.00 H new ATOM 0 HG2 PRO A 18 13.935 -20.723 -12.022 1.00 0.00 H new ATOM 0 HG3 PRO A 18 14.836 -20.516 -13.510 1.00 0.00 H new ATOM 0 HD2 PRO A 18 12.551 -21.992 -13.427 1.00 0.00 H new ATOM 0 HD3 PRO A 18 13.856 -22.392 -14.526 1.00 0.00 H new ATOM 235 N SER A 19 14.770 -24.509 -9.687 1.00 0.00 N ATOM 236 CA SER A 19 14.420 -24.634 -8.277 1.00 0.00 C ATOM 237 C SER A 19 12.930 -24.393 -8.061 1.00 0.00 C ATOM 238 O SER A 19 12.301 -23.630 -8.794 1.00 0.00 O ATOM 239 CB SER A 19 15.236 -23.647 -7.438 1.00 0.00 C ATOM 240 OG SER A 19 14.955 -23.798 -6.058 1.00 0.00 O ATOM 0 H SER A 19 15.139 -25.362 -10.107 1.00 0.00 H new ATOM 0 HA SER A 19 14.654 -25.650 -7.960 1.00 0.00 H new ATOM 0 HB2 SER A 19 16.300 -23.806 -7.615 1.00 0.00 H new ATOM 0 HB3 SER A 19 15.010 -22.627 -7.749 1.00 0.00 H new ATOM 0 HG SER A 19 15.490 -23.158 -5.543 1.00 0.00 H new ATOM 246 N LEU A 20 12.371 -25.049 -7.049 1.00 0.00 N ATOM 247 CA LEU A 20 10.954 -24.907 -6.735 1.00 0.00 C ATOM 248 C LEU A 20 10.659 -25.399 -5.321 1.00 0.00 C ATOM 249 O LEU A 20 9.567 -25.893 -5.039 1.00 0.00 O ATOM 250 CB LEU A 20 10.106 -25.677 -7.751 1.00 0.00 C ATOM 251 CG LEU A 20 9.445 -24.815 -8.827 1.00 0.00 C ATOM 252 CD1 LEU A 20 8.685 -25.685 -9.816 1.00 0.00 C ATOM 253 CD2 LEU A 20 8.516 -23.791 -8.191 1.00 0.00 C ATOM 0 H LEU A 20 12.878 -25.684 -6.432 1.00 0.00 H new ATOM 0 HA LEU A 20 10.697 -23.849 -6.790 1.00 0.00 H new ATOM 0 HB2 LEU A 20 10.737 -26.420 -8.239 1.00 0.00 H new ATOM 0 HB3 LEU A 20 9.329 -26.221 -7.215 1.00 0.00 H new ATOM 0 HG LEU A 20 10.226 -24.282 -9.370 1.00 0.00 H new ATOM 0 HD11 LEU A 20 8.221 -25.054 -10.574 1.00 0.00 H new ATOM 0 HD12 LEU A 20 9.375 -26.380 -10.295 1.00 0.00 H new ATOM 0 HD13 LEU A 20 7.913 -26.246 -9.289 1.00 0.00 H new ATOM 0 HD21 LEU A 20 8.054 -23.186 -8.971 1.00 0.00 H new ATOM 0 HD22 LEU A 20 7.741 -24.306 -7.624 1.00 0.00 H new ATOM 0 HD23 LEU A 20 9.087 -23.147 -7.523 1.00 0.00 H new ATOM 265 N ALA A 21 11.640 -25.261 -4.434 1.00 0.00 N ATOM 266 CA ALA A 21 11.486 -25.691 -3.049 1.00 0.00 C ATOM 267 C ALA A 21 11.656 -24.520 -2.089 1.00 0.00 C ATOM 268 O ALA A 21 12.761 -24.241 -1.624 1.00 0.00 O ATOM 269 CB ALA A 21 12.486 -26.791 -2.726 1.00 0.00 C ATOM 0 H ALA A 21 12.550 -24.855 -4.650 1.00 0.00 H new ATOM 0 HA ALA A 21 10.477 -26.084 -2.925 1.00 0.00 H new ATOM 0 HB1 ALA A 21 12.361 -27.103 -1.689 1.00 0.00 H new ATOM 0 HB2 ALA A 21 12.316 -27.643 -3.385 1.00 0.00 H new ATOM 0 HB3 ALA A 21 13.499 -26.416 -2.872 1.00 0.00 H new ATOM 275 N SER A 22 10.554 -23.838 -1.795 1.00 0.00 N ATOM 276 CA SER A 22 10.580 -22.696 -0.889 1.00 0.00 C ATOM 277 C SER A 22 10.218 -23.119 0.531 1.00 0.00 C ATOM 278 O SER A 22 9.076 -23.489 0.807 1.00 0.00 O ATOM 279 CB SER A 22 9.615 -21.612 -1.373 1.00 0.00 C ATOM 280 OG SER A 22 8.545 -22.175 -2.113 1.00 0.00 O ATOM 0 H SER A 22 9.631 -24.057 -2.171 1.00 0.00 H new ATOM 0 HA SER A 22 11.593 -22.293 -0.881 1.00 0.00 H new ATOM 0 HB2 SER A 22 9.221 -21.063 -0.518 1.00 0.00 H new ATOM 0 HB3 SER A 22 10.151 -20.893 -1.993 1.00 0.00 H new ATOM 0 HG SER A 22 7.942 -21.462 -2.410 1.00 0.00 H new ATOM 286 N VAL A 23 11.197 -23.061 1.428 1.00 0.00 N ATOM 287 CA VAL A 23 10.982 -23.439 2.819 1.00 0.00 C ATOM 288 C VAL A 23 10.076 -22.433 3.529 1.00 0.00 C ATOM 289 O VAL A 23 10.460 -21.282 3.736 1.00 0.00 O ATOM 290 CB VAL A 23 12.315 -23.537 3.586 1.00 0.00 C ATOM 291 CG1 VAL A 23 13.068 -24.798 3.192 1.00 0.00 C ATOM 292 CG2 VAL A 23 13.166 -22.299 3.342 1.00 0.00 C ATOM 0 H VAL A 23 12.147 -22.756 1.216 1.00 0.00 H new ATOM 0 HA VAL A 23 10.501 -24.417 2.810 1.00 0.00 H new ATOM 0 HB VAL A 23 12.095 -23.593 4.652 1.00 0.00 H new ATOM 0 HG11 VAL A 23 14.006 -24.849 3.744 1.00 0.00 H new ATOM 0 HG12 VAL A 23 12.461 -25.672 3.426 1.00 0.00 H new ATOM 0 HG13 VAL A 23 13.277 -24.778 2.122 1.00 0.00 H new ATOM 0 HG21 VAL A 23 14.103 -22.387 3.892 1.00 0.00 H new ATOM 0 HG22 VAL A 23 13.378 -22.207 2.277 1.00 0.00 H new ATOM 0 HG23 VAL A 23 12.628 -21.414 3.682 1.00 0.00 H new ATOM 302 N PRO A 24 8.857 -22.852 3.916 1.00 0.00 N ATOM 303 CA PRO A 24 7.907 -21.973 4.607 1.00 0.00 C ATOM 304 C PRO A 24 8.521 -21.306 5.832 1.00 0.00 C ATOM 305 O PRO A 24 8.975 -21.981 6.756 1.00 0.00 O ATOM 306 CB PRO A 24 6.779 -22.921 5.023 1.00 0.00 C ATOM 307 CG PRO A 24 6.853 -24.048 4.052 1.00 0.00 C ATOM 308 CD PRO A 24 8.309 -24.207 3.716 1.00 0.00 C ATOM 0 HA PRO A 24 7.577 -21.152 3.971 1.00 0.00 H new ATOM 0 HB2 PRO A 24 6.913 -23.271 6.046 1.00 0.00 H new ATOM 0 HB3 PRO A 24 5.809 -22.425 4.981 1.00 0.00 H new ATOM 0 HG2 PRO A 24 6.450 -24.964 4.485 1.00 0.00 H new ATOM 0 HG3 PRO A 24 6.267 -23.833 3.158 1.00 0.00 H new ATOM 0 HD2 PRO A 24 8.794 -24.936 4.365 1.00 0.00 H new ATOM 0 HD3 PRO A 24 8.450 -24.550 2.691 1.00 0.00 H new ATOM 316 N THR A 25 8.533 -19.977 5.833 1.00 0.00 N ATOM 317 CA THR A 25 9.094 -19.218 6.945 1.00 0.00 C ATOM 318 C THR A 25 7.995 -18.513 7.738 1.00 0.00 C ATOM 319 O THR A 25 8.169 -18.207 8.916 1.00 0.00 O ATOM 320 CB THR A 25 10.105 -18.192 6.430 1.00 0.00 C ATOM 321 OG1 THR A 25 10.728 -17.517 7.508 1.00 0.00 O ATOM 322 CG2 THR A 25 9.488 -17.144 5.528 1.00 0.00 C ATOM 0 H THR A 25 8.161 -19.403 5.076 1.00 0.00 H new ATOM 0 HA THR A 25 9.601 -19.918 7.609 1.00 0.00 H new ATOM 0 HB THR A 25 10.829 -18.766 5.852 1.00 0.00 H new ATOM 0 HG1 THR A 25 11.372 -16.866 7.158 1.00 0.00 H new ATOM 0 HG21 THR A 25 10.259 -16.448 5.198 1.00 0.00 H new ATOM 0 HG22 THR A 25 9.041 -17.629 4.660 1.00 0.00 H new ATOM 0 HG23 THR A 25 8.719 -16.600 6.076 1.00 0.00 H new ATOM 330 N ALA A 26 6.866 -18.258 7.083 1.00 0.00 N ATOM 331 CA ALA A 26 5.741 -17.589 7.728 1.00 0.00 C ATOM 332 C ALA A 26 6.114 -16.170 8.145 1.00 0.00 C ATOM 333 O ALA A 26 5.681 -15.685 9.190 1.00 0.00 O ATOM 334 CB ALA A 26 5.270 -18.390 8.933 1.00 0.00 C ATOM 0 H ALA A 26 6.706 -18.505 6.106 1.00 0.00 H new ATOM 0 HA ALA A 26 4.925 -17.526 7.008 1.00 0.00 H new ATOM 0 HB1 ALA A 26 4.430 -17.879 9.404 1.00 0.00 H new ATOM 0 HB2 ALA A 26 4.956 -19.382 8.610 1.00 0.00 H new ATOM 0 HB3 ALA A 26 6.086 -18.483 9.649 1.00 0.00 H new ATOM 340 N ASP A 27 6.917 -15.508 7.318 1.00 0.00 N ATOM 341 CA ASP A 27 7.346 -14.143 7.599 1.00 0.00 C ATOM 342 C ASP A 27 7.994 -13.513 6.370 1.00 0.00 C ATOM 343 O ASP A 27 8.536 -14.213 5.514 1.00 0.00 O ATOM 344 CB ASP A 27 8.325 -14.126 8.775 1.00 0.00 C ATOM 345 CG ASP A 27 7.687 -13.608 10.050 1.00 0.00 C ATOM 346 OD1 ASP A 27 7.564 -12.374 10.192 1.00 0.00 O ATOM 347 OD2 ASP A 27 7.310 -14.436 10.905 1.00 0.00 O ATOM 0 H ASP A 27 7.283 -15.895 6.448 1.00 0.00 H new ATOM 0 HA ASP A 27 6.465 -13.557 7.862 1.00 0.00 H new ATOM 0 HB2 ASP A 27 8.703 -15.134 8.944 1.00 0.00 H new ATOM 0 HB3 ASP A 27 9.183 -13.503 8.522 1.00 0.00 H new ATOM 352 N GLU A 28 7.936 -12.188 6.290 1.00 0.00 N ATOM 353 CA GLU A 28 8.517 -11.463 5.166 1.00 0.00 C ATOM 354 C GLU A 28 9.212 -10.191 5.641 1.00 0.00 C ATOM 355 O GLU A 28 10.352 -9.918 5.264 1.00 0.00 O ATOM 356 CB GLU A 28 7.435 -11.117 4.142 1.00 0.00 C ATOM 357 CG GLU A 28 7.249 -12.179 3.071 1.00 0.00 C ATOM 358 CD GLU A 28 5.971 -11.989 2.278 1.00 0.00 C ATOM 359 OE1 GLU A 28 4.887 -11.966 2.897 1.00 0.00 O ATOM 360 OE2 GLU A 28 6.055 -11.862 1.038 1.00 0.00 O ATOM 0 H GLU A 28 7.492 -11.594 6.991 1.00 0.00 H new ATOM 0 HA GLU A 28 9.260 -12.106 4.695 1.00 0.00 H new ATOM 0 HB2 GLU A 28 6.489 -10.968 4.662 1.00 0.00 H new ATOM 0 HB3 GLU A 28 7.688 -10.171 3.664 1.00 0.00 H new ATOM 0 HG2 GLU A 28 8.101 -12.157 2.391 1.00 0.00 H new ATOM 0 HG3 GLU A 28 7.239 -13.164 3.539 1.00 0.00 H new ATOM 367 N LEU A 29 8.517 -9.417 6.468 1.00 0.00 N ATOM 368 CA LEU A 29 9.068 -8.173 6.993 1.00 0.00 C ATOM 369 C LEU A 29 9.629 -8.376 8.397 1.00 0.00 C ATOM 370 O LEU A 29 9.313 -7.624 9.319 1.00 0.00 O ATOM 371 CB LEU A 29 7.993 -7.083 7.009 1.00 0.00 C ATOM 372 CG LEU A 29 7.569 -6.571 5.631 1.00 0.00 C ATOM 373 CD1 LEU A 29 6.087 -6.228 5.622 1.00 0.00 C ATOM 374 CD2 LEU A 29 8.400 -5.362 5.234 1.00 0.00 C ATOM 0 H LEU A 29 7.572 -9.629 6.789 1.00 0.00 H new ATOM 0 HA LEU A 29 9.883 -7.859 6.340 1.00 0.00 H new ATOM 0 HB2 LEU A 29 7.113 -7.470 7.523 1.00 0.00 H new ATOM 0 HB3 LEU A 29 8.360 -6.241 7.596 1.00 0.00 H new ATOM 0 HG LEU A 29 7.742 -7.362 4.901 1.00 0.00 H new ATOM 0 HD11 LEU A 29 5.803 -5.866 4.634 1.00 0.00 H new ATOM 0 HD12 LEU A 29 5.506 -7.118 5.862 1.00 0.00 H new ATOM 0 HD13 LEU A 29 5.888 -5.454 6.363 1.00 0.00 H new ATOM 0 HD21 LEU A 29 8.085 -5.011 4.251 1.00 0.00 H new ATOM 0 HD22 LEU A 29 8.258 -4.567 5.966 1.00 0.00 H new ATOM 0 HD23 LEU A 29 9.453 -5.640 5.200 1.00 0.00 H new ATOM 386 N PHE A 30 10.465 -9.397 8.550 1.00 0.00 N ATOM 387 CA PHE A 30 11.073 -9.700 9.839 1.00 0.00 C ATOM 388 C PHE A 30 12.110 -8.647 10.212 1.00 0.00 C ATOM 389 O PHE A 30 12.326 -8.364 11.391 1.00 0.00 O ATOM 390 CB PHE A 30 11.725 -11.084 9.806 1.00 0.00 C ATOM 391 CG PHE A 30 12.593 -11.311 8.602 1.00 0.00 C ATOM 392 CD1 PHE A 30 13.896 -10.843 8.572 1.00 0.00 C ATOM 393 CD2 PHE A 30 12.104 -11.993 7.499 1.00 0.00 C ATOM 394 CE1 PHE A 30 14.697 -11.051 7.464 1.00 0.00 C ATOM 395 CE2 PHE A 30 12.900 -12.204 6.389 1.00 0.00 C ATOM 396 CZ PHE A 30 14.198 -11.733 6.372 1.00 0.00 C ATOM 0 H PHE A 30 10.737 -10.029 7.797 1.00 0.00 H new ATOM 0 HA PHE A 30 10.287 -9.694 10.594 1.00 0.00 H new ATOM 0 HB2 PHE A 30 12.325 -11.215 10.706 1.00 0.00 H new ATOM 0 HB3 PHE A 30 10.945 -11.845 9.830 1.00 0.00 H new ATOM 0 HD1 PHE A 30 14.291 -10.309 9.424 1.00 0.00 H new ATOM 0 HD2 PHE A 30 11.090 -12.364 7.507 1.00 0.00 H new ATOM 0 HE1 PHE A 30 15.711 -10.681 7.453 1.00 0.00 H new ATOM 0 HE2 PHE A 30 12.507 -12.737 5.536 1.00 0.00 H new ATOM 0 HZ PHE A 30 14.822 -11.898 5.506 1.00 0.00 H new ATOM 406 N ASP A 31 12.749 -8.068 9.202 1.00 0.00 N ATOM 407 CA ASP A 31 13.765 -7.045 9.424 1.00 0.00 C ATOM 408 C ASP A 31 13.176 -5.647 9.257 1.00 0.00 C ATOM 409 O ASP A 31 13.843 -4.736 8.765 1.00 0.00 O ATOM 410 CB ASP A 31 14.933 -7.238 8.455 1.00 0.00 C ATOM 411 CG ASP A 31 14.493 -7.212 7.006 1.00 0.00 C ATOM 412 OD1 ASP A 31 14.036 -8.262 6.506 1.00 0.00 O ATOM 413 OD2 ASP A 31 14.603 -6.143 6.369 1.00 0.00 O ATOM 0 H ASP A 31 12.582 -8.289 8.221 1.00 0.00 H new ATOM 0 HA ASP A 31 14.129 -7.146 10.446 1.00 0.00 H new ATOM 0 HB2 ASP A 31 15.672 -6.455 8.621 1.00 0.00 H new ATOM 0 HB3 ASP A 31 15.423 -8.189 8.666 1.00 0.00 H new ATOM 418 N PHE A 32 11.921 -5.486 9.667 1.00 0.00 N ATOM 419 CA PHE A 32 11.243 -4.200 9.561 1.00 0.00 C ATOM 420 C PHE A 32 10.397 -3.928 10.801 1.00 0.00 C ATOM 421 O PHE A 32 9.280 -4.432 10.925 1.00 0.00 O ATOM 422 CB PHE A 32 10.363 -4.165 8.312 1.00 0.00 C ATOM 423 CG PHE A 32 11.095 -3.730 7.074 1.00 0.00 C ATOM 424 CD1 PHE A 32 11.880 -4.627 6.365 1.00 0.00 C ATOM 425 CD2 PHE A 32 11.000 -2.425 6.620 1.00 0.00 C ATOM 426 CE1 PHE A 32 12.554 -4.230 5.227 1.00 0.00 C ATOM 427 CE2 PHE A 32 11.673 -2.021 5.482 1.00 0.00 C ATOM 428 CZ PHE A 32 12.451 -2.925 4.785 1.00 0.00 C ATOM 0 H PHE A 32 11.354 -6.230 10.075 1.00 0.00 H new ATOM 0 HA PHE A 32 12.003 -3.422 9.483 1.00 0.00 H new ATOM 0 HB2 PHE A 32 9.942 -5.157 8.146 1.00 0.00 H new ATOM 0 HB3 PHE A 32 9.526 -3.489 8.486 1.00 0.00 H new ATOM 0 HD1 PHE A 32 11.965 -5.648 6.707 1.00 0.00 H new ATOM 0 HD2 PHE A 32 10.393 -1.715 7.161 1.00 0.00 H new ATOM 0 HE1 PHE A 32 13.161 -4.939 4.683 1.00 0.00 H new ATOM 0 HE2 PHE A 32 11.591 -1.000 5.138 1.00 0.00 H new ATOM 0 HZ PHE A 32 12.978 -2.612 3.896 1.00 0.00 H new ATOM 438 N HIS A 33 10.935 -3.129 11.716 1.00 0.00 N ATOM 439 CA HIS A 33 10.229 -2.790 12.947 1.00 0.00 C ATOM 440 C HIS A 33 9.249 -1.645 12.714 1.00 0.00 C ATOM 441 O HIS A 33 9.450 -0.812 11.829 1.00 0.00 O ATOM 442 CB HIS A 33 11.225 -2.409 14.042 1.00 0.00 C ATOM 443 CG HIS A 33 12.211 -3.491 14.358 1.00 0.00 C ATOM 444 ND1 HIS A 33 12.154 -4.278 15.486 1.00 0.00 N ATOM 445 CD2 HIS A 33 13.298 -3.914 13.662 1.00 0.00 C ATOM 446 CE1 HIS A 33 13.185 -5.134 15.443 1.00 0.00 C ATOM 447 NE2 HIS A 33 13.908 -4.954 14.356 1.00 0.00 N ATOM 0 H HIS A 33 11.858 -2.704 11.629 1.00 0.00 H new ATOM 0 HA HIS A 33 9.666 -3.667 13.267 1.00 0.00 H new ATOM 0 HB2 HIS A 33 11.766 -1.514 13.734 1.00 0.00 H new ATOM 0 HB3 HIS A 33 10.676 -2.153 14.948 1.00 0.00 H new ATOM 0 HD2 HIS A 33 13.635 -3.508 12.720 1.00 0.00 H new ATOM 0 HE1 HIS A 33 13.396 -5.875 16.200 1.00 0.00 H new ATOM 0 HE2 HIS A 33 14.743 -5.471 14.080 1.00 0.00 H new ATOM 455 N ILE A 34 8.188 -1.609 13.514 1.00 0.00 N ATOM 456 CA ILE A 34 7.177 -0.565 13.396 1.00 0.00 C ATOM 457 C ILE A 34 7.671 0.749 13.993 1.00 0.00 C ATOM 458 O ILE A 34 8.314 0.763 15.042 1.00 0.00 O ATOM 459 CB ILE A 34 5.866 -0.972 14.095 1.00 0.00 C ATOM 460 CG1 ILE A 34 5.446 -2.379 13.665 1.00 0.00 C ATOM 461 CG2 ILE A 34 4.766 0.033 13.785 1.00 0.00 C ATOM 462 CD1 ILE A 34 5.112 -2.485 12.193 1.00 0.00 C ATOM 0 H ILE A 34 8.006 -2.291 14.251 1.00 0.00 H new ATOM 0 HA ILE A 34 6.986 -0.428 12.332 1.00 0.00 H new ATOM 0 HB ILE A 34 6.034 -0.978 15.172 1.00 0.00 H new ATOM 0 HG12 ILE A 34 6.250 -3.077 13.898 1.00 0.00 H new ATOM 0 HG13 ILE A 34 4.578 -2.685 14.249 1.00 0.00 H new ATOM 0 HG21 ILE A 34 3.846 -0.268 14.286 1.00 0.00 H new ATOM 0 HG22 ILE A 34 5.065 1.020 14.138 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.598 0.068 12.709 1.00 0.00 H new ATOM 0 HD11 ILE A 34 4.823 -3.509 11.958 1.00 0.00 H new ATOM 0 HD12 ILE A 34 4.287 -1.812 11.958 1.00 0.00 H new ATOM 0 HD13 ILE A 34 5.985 -2.210 11.601 1.00 0.00 H new ATOM 474 N GLY A 35 7.366 1.851 13.315 1.00 0.00 N ATOM 475 CA GLY A 35 7.787 3.154 13.794 1.00 0.00 C ATOM 476 C GLY A 35 8.885 3.759 12.940 1.00 0.00 C ATOM 477 O GLY A 35 9.012 4.980 12.853 1.00 0.00 O ATOM 0 H GLY A 35 6.836 1.865 12.444 1.00 0.00 H new ATOM 0 HA2 GLY A 35 6.930 3.827 13.808 1.00 0.00 H new ATOM 0 HA3 GLY A 35 8.138 3.064 14.822 1.00 0.00 H new ATOM 481 N ASP A 36 9.679 2.901 12.308 1.00 0.00 N ATOM 482 CA ASP A 36 10.773 3.357 11.457 1.00 0.00 C ATOM 483 C ASP A 36 10.245 3.876 10.124 1.00 0.00 C ATOM 484 O ASP A 36 9.116 3.578 9.732 1.00 0.00 O ATOM 485 CB ASP A 36 11.767 2.219 11.217 1.00 0.00 C ATOM 486 CG ASP A 36 13.171 2.726 10.951 1.00 0.00 C ATOM 487 OD1 ASP A 36 13.820 3.206 11.904 1.00 0.00 O ATOM 488 OD2 ASP A 36 13.623 2.641 9.789 1.00 0.00 O ATOM 0 H ASP A 36 9.586 1.887 12.369 1.00 0.00 H new ATOM 0 HA ASP A 36 11.282 4.174 11.968 1.00 0.00 H new ATOM 0 HB2 ASP A 36 11.779 1.561 12.086 1.00 0.00 H new ATOM 0 HB3 ASP A 36 11.433 1.621 10.369 1.00 0.00 H new ATOM 493 N ARG A 37 11.070 4.654 9.430 1.00 0.00 N ATOM 494 CA ARG A 37 10.688 5.215 8.139 1.00 0.00 C ATOM 495 C ARG A 37 10.727 4.147 7.050 1.00 0.00 C ATOM 496 O ARG A 37 11.633 3.315 7.015 1.00 0.00 O ATOM 497 CB ARG A 37 11.617 6.374 7.771 1.00 0.00 C ATOM 498 CG ARG A 37 11.045 7.742 8.106 1.00 0.00 C ATOM 499 CD ARG A 37 12.092 8.835 7.967 1.00 0.00 C ATOM 500 NE ARG A 37 12.904 8.975 9.175 1.00 0.00 N ATOM 501 CZ ARG A 37 14.051 8.328 9.383 1.00 0.00 C ATOM 502 NH1 ARG A 37 14.531 7.495 8.467 1.00 0.00 N ATOM 503 NH2 ARG A 37 14.719 8.515 10.512 1.00 0.00 N ATOM 0 H ARG A 37 12.007 4.910 9.740 1.00 0.00 H new ATOM 0 HA ARG A 37 9.667 5.588 8.218 1.00 0.00 H new ATOM 0 HB2 ARG A 37 12.566 6.248 8.293 1.00 0.00 H new ATOM 0 HB3 ARG A 37 11.833 6.331 6.703 1.00 0.00 H new ATOM 0 HG2 ARG A 37 10.204 7.957 7.447 1.00 0.00 H new ATOM 0 HG3 ARG A 37 10.658 7.736 9.125 1.00 0.00 H new ATOM 0 HD2 ARG A 37 12.739 8.611 7.119 1.00 0.00 H new ATOM 0 HD3 ARG A 37 11.600 9.783 7.750 1.00 0.00 H new ATOM 0 HE ARG A 37 12.572 9.607 9.904 1.00 0.00 H new ATOM 0 HH11 ARG A 37 14.021 7.346 7.596 1.00 0.00 H new ATOM 0 HH12 ARG A 37 15.409 7.004 8.634 1.00 0.00 H new ATOM 0 HH21 ARG A 37 14.355 9.153 11.220 1.00 0.00 H new ATOM 0 HH22 ARG A 37 15.597 8.021 10.673 1.00 0.00 H new ATOM 517 N VAL A 38 9.739 4.178 6.162 1.00 0.00 N ATOM 518 CA VAL A 38 9.661 3.213 5.073 1.00 0.00 C ATOM 519 C VAL A 38 9.194 3.875 3.781 1.00 0.00 C ATOM 520 O VAL A 38 8.271 4.691 3.788 1.00 0.00 O ATOM 521 CB VAL A 38 8.705 2.054 5.415 1.00 0.00 C ATOM 522 CG1 VAL A 38 9.332 1.130 6.448 1.00 0.00 C ATOM 523 CG2 VAL A 38 7.371 2.592 5.909 1.00 0.00 C ATOM 0 H VAL A 38 8.982 4.861 6.176 1.00 0.00 H new ATOM 0 HA VAL A 38 10.667 2.817 4.932 1.00 0.00 H new ATOM 0 HB VAL A 38 8.525 1.476 4.509 1.00 0.00 H new ATOM 0 HG11 VAL A 38 8.642 0.318 6.676 1.00 0.00 H new ATOM 0 HG12 VAL A 38 10.260 0.717 6.051 1.00 0.00 H new ATOM 0 HG13 VAL A 38 9.545 1.692 7.357 1.00 0.00 H new ATOM 0 HG21 VAL A 38 6.708 1.760 6.146 1.00 0.00 H new ATOM 0 HG22 VAL A 38 7.530 3.195 6.803 1.00 0.00 H new ATOM 0 HG23 VAL A 38 6.917 3.208 5.133 1.00 0.00 H new ATOM 533 N LEU A 39 9.834 3.518 2.674 1.00 0.00 N ATOM 534 CA LEU A 39 9.484 4.076 1.372 1.00 0.00 C ATOM 535 C LEU A 39 8.684 3.071 0.549 1.00 0.00 C ATOM 536 O LEU A 39 9.160 1.974 0.258 1.00 0.00 O ATOM 537 CB LEU A 39 10.748 4.486 0.613 1.00 0.00 C ATOM 538 CG LEU A 39 10.558 5.610 -0.408 1.00 0.00 C ATOM 539 CD1 LEU A 39 9.899 6.816 0.242 1.00 0.00 C ATOM 540 CD2 LEU A 39 11.892 5.998 -1.025 1.00 0.00 C ATOM 0 H LEU A 39 10.599 2.844 2.651 1.00 0.00 H new ATOM 0 HA LEU A 39 8.866 4.959 1.535 1.00 0.00 H new ATOM 0 HB2 LEU A 39 11.502 4.797 1.336 1.00 0.00 H new ATOM 0 HB3 LEU A 39 11.143 3.611 0.097 1.00 0.00 H new ATOM 0 HG LEU A 39 9.904 5.248 -1.201 1.00 0.00 H new ATOM 0 HD11 LEU A 39 9.772 7.605 -0.499 1.00 0.00 H new ATOM 0 HD12 LEU A 39 8.924 6.529 0.637 1.00 0.00 H new ATOM 0 HD13 LEU A 39 10.527 7.180 1.055 1.00 0.00 H new ATOM 0 HD21 LEU A 39 11.739 6.798 -1.749 1.00 0.00 H new ATOM 0 HD22 LEU A 39 12.569 6.341 -0.242 1.00 0.00 H new ATOM 0 HD23 LEU A 39 12.326 5.133 -1.527 1.00 0.00 H new ATOM 552 N ILE A 40 7.466 3.452 0.179 1.00 0.00 N ATOM 553 CA ILE A 40 6.602 2.581 -0.610 1.00 0.00 C ATOM 554 C ILE A 40 6.969 2.633 -2.089 1.00 0.00 C ATOM 555 O ILE A 40 6.795 3.659 -2.746 1.00 0.00 O ATOM 556 CB ILE A 40 5.119 2.966 -0.447 1.00 0.00 C ATOM 557 CG1 ILE A 40 4.767 3.117 1.034 1.00 0.00 C ATOM 558 CG2 ILE A 40 4.227 1.924 -1.106 1.00 0.00 C ATOM 559 CD1 ILE A 40 3.468 3.856 1.274 1.00 0.00 C ATOM 0 H ILE A 40 7.055 4.356 0.412 1.00 0.00 H new ATOM 0 HA ILE A 40 6.751 1.567 -0.238 1.00 0.00 H new ATOM 0 HB ILE A 40 4.951 3.924 -0.939 1.00 0.00 H new ATOM 0 HG12 ILE A 40 4.702 2.127 1.486 1.00 0.00 H new ATOM 0 HG13 ILE A 40 5.575 3.646 1.539 1.00 0.00 H new ATOM 0 HG21 ILE A 40 3.182 2.209 -0.983 1.00 0.00 H new ATOM 0 HG22 ILE A 40 4.463 1.862 -2.168 1.00 0.00 H new ATOM 0 HG23 ILE A 40 4.396 0.953 -0.640 1.00 0.00 H new ATOM 0 HD11 ILE A 40 3.282 3.926 2.346 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.536 4.858 0.851 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.649 3.317 0.798 1.00 0.00 H new ATOM 571 N GLY A 41 7.478 1.518 -2.604 1.00 0.00 N ATOM 572 CA GLY A 41 7.863 1.457 -4.002 1.00 0.00 C ATOM 573 C GLY A 41 8.902 2.498 -4.370 1.00 0.00 C ATOM 574 O GLY A 41 9.051 2.850 -5.539 1.00 0.00 O ATOM 0 H GLY A 41 7.630 0.657 -2.079 1.00 0.00 H new ATOM 0 HA2 GLY A 41 8.255 0.464 -4.223 1.00 0.00 H new ATOM 0 HA3 GLY A 41 6.979 1.596 -4.624 1.00 0.00 H new ATOM 578 N ASN A 42 9.625 2.994 -3.368 1.00 0.00 N ATOM 579 CA ASN A 42 10.656 4.002 -3.594 1.00 0.00 C ATOM 580 C ASN A 42 10.076 5.231 -4.288 1.00 0.00 C ATOM 581 O ASN A 42 10.531 5.623 -5.364 1.00 0.00 O ATOM 582 CB ASN A 42 11.795 3.414 -4.429 1.00 0.00 C ATOM 583 CG ASN A 42 12.420 2.195 -3.779 1.00 0.00 C ATOM 584 OD1 ASN A 42 11.865 1.098 -3.831 1.00 0.00 O ATOM 585 ND2 ASN A 42 13.580 2.383 -3.161 1.00 0.00 N ATOM 0 H ASN A 42 9.515 2.714 -2.393 1.00 0.00 H new ATOM 0 HA ASN A 42 11.048 4.311 -2.625 1.00 0.00 H new ATOM 0 HB2 ASN A 42 11.417 3.143 -5.415 1.00 0.00 H new ATOM 0 HB3 ASN A 42 12.561 4.175 -4.580 1.00 0.00 H new ATOM 0 HD21 ASN A 42 14.047 1.600 -2.704 1.00 0.00 H new ATOM 0 HD22 ASN A 42 14.004 3.311 -3.143 1.00 0.00 H new ATOM 592 N VAL A 43 9.068 5.835 -3.668 1.00 0.00 N ATOM 593 CA VAL A 43 8.426 7.019 -4.226 1.00 0.00 C ATOM 594 C VAL A 43 7.491 7.669 -3.210 1.00 0.00 C ATOM 595 O VAL A 43 7.464 8.891 -3.069 1.00 0.00 O ATOM 596 CB VAL A 43 7.631 6.676 -5.502 1.00 0.00 C ATOM 597 CG1 VAL A 43 6.522 5.682 -5.193 1.00 0.00 C ATOM 598 CG2 VAL A 43 7.065 7.938 -6.137 1.00 0.00 C ATOM 0 H VAL A 43 8.678 5.524 -2.778 1.00 0.00 H new ATOM 0 HA VAL A 43 9.220 7.721 -4.481 1.00 0.00 H new ATOM 0 HB VAL A 43 8.312 6.213 -6.216 1.00 0.00 H new ATOM 0 HG11 VAL A 43 5.973 5.453 -6.107 1.00 0.00 H new ATOM 0 HG12 VAL A 43 6.956 4.766 -4.791 1.00 0.00 H new ATOM 0 HG13 VAL A 43 5.841 6.113 -4.459 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.508 7.675 -7.036 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.400 8.434 -5.430 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.881 8.610 -6.400 1.00 0.00 H new ATOM 608 N GLN A 44 6.723 6.842 -2.507 1.00 0.00 N ATOM 609 CA GLN A 44 5.786 7.336 -1.505 1.00 0.00 C ATOM 610 C GLN A 44 6.381 7.230 -0.101 1.00 0.00 C ATOM 611 O GLN A 44 6.406 6.149 0.489 1.00 0.00 O ATOM 612 CB GLN A 44 4.473 6.553 -1.576 1.00 0.00 C ATOM 613 CG GLN A 44 3.410 7.227 -2.429 1.00 0.00 C ATOM 614 CD GLN A 44 2.292 7.828 -1.601 1.00 0.00 C ATOM 615 OE1 GLN A 44 2.518 8.315 -0.493 1.00 0.00 O ATOM 616 NE2 GLN A 44 1.077 7.797 -2.135 1.00 0.00 N ATOM 0 H GLN A 44 6.731 5.828 -2.613 1.00 0.00 H new ATOM 0 HA GLN A 44 5.587 8.387 -1.716 1.00 0.00 H new ATOM 0 HB2 GLN A 44 4.673 5.559 -1.977 1.00 0.00 H new ATOM 0 HB3 GLN A 44 4.085 6.417 -0.566 1.00 0.00 H new ATOM 0 HG2 GLN A 44 3.874 8.010 -3.029 1.00 0.00 H new ATOM 0 HG3 GLN A 44 2.991 6.499 -3.124 1.00 0.00 H new ATOM 0 HE21 GLN A 44 0.935 7.383 -3.057 1.00 0.00 H new ATOM 0 HE22 GLN A 44 0.285 8.187 -1.624 1.00 0.00 H new ATOM 625 N PRO A 45 6.870 8.353 0.456 1.00 0.00 N ATOM 626 CA PRO A 45 7.465 8.372 1.796 1.00 0.00 C ATOM 627 C PRO A 45 6.421 8.213 2.896 1.00 0.00 C ATOM 628 O PRO A 45 5.387 8.881 2.886 1.00 0.00 O ATOM 629 CB PRO A 45 8.116 9.754 1.873 1.00 0.00 C ATOM 630 CG PRO A 45 7.321 10.599 0.940 1.00 0.00 C ATOM 631 CD PRO A 45 6.883 9.687 -0.174 1.00 0.00 C ATOM 0 HA PRO A 45 8.162 7.547 1.945 1.00 0.00 H new ATOM 0 HB2 PRO A 45 8.086 10.150 2.888 1.00 0.00 H new ATOM 0 HB3 PRO A 45 9.164 9.715 1.576 1.00 0.00 H new ATOM 0 HG2 PRO A 45 6.461 11.037 1.447 1.00 0.00 H new ATOM 0 HG3 PRO A 45 7.919 11.425 0.556 1.00 0.00 H new ATOM 0 HD2 PRO A 45 5.899 9.961 -0.553 1.00 0.00 H new ATOM 0 HD3 PRO A 45 7.572 9.725 -1.018 1.00 0.00 H new ATOM 639 N GLY A 46 6.700 7.325 3.843 1.00 0.00 N ATOM 640 CA GLY A 46 5.777 7.094 4.939 1.00 0.00 C ATOM 641 C GLY A 46 6.437 6.402 6.115 1.00 0.00 C ATOM 642 O GLY A 46 7.653 6.212 6.130 1.00 0.00 O ATOM 0 H GLY A 46 7.549 6.761 3.872 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.362 8.047 5.268 1.00 0.00 H new ATOM 0 HA3 GLY A 46 4.943 6.488 4.586 1.00 0.00 H new ATOM 646 N ILE A 47 5.635 6.027 7.106 1.00 0.00 N ATOM 647 CA ILE A 47 6.148 5.354 8.293 1.00 0.00 C ATOM 648 C ILE A 47 5.492 3.991 8.479 1.00 0.00 C ATOM 649 O ILE A 47 4.282 3.845 8.310 1.00 0.00 O ATOM 650 CB ILE A 47 5.920 6.197 9.562 1.00 0.00 C ATOM 651 CG1 ILE A 47 6.367 7.642 9.330 1.00 0.00 C ATOM 652 CG2 ILE A 47 6.664 5.589 10.741 1.00 0.00 C ATOM 653 CD1 ILE A 47 5.846 8.610 10.369 1.00 0.00 C ATOM 0 H ILE A 47 4.626 6.178 7.110 1.00 0.00 H new ATOM 0 HA ILE A 47 7.219 5.222 8.141 1.00 0.00 H new ATOM 0 HB ILE A 47 4.854 6.200 9.792 1.00 0.00 H new ATOM 0 HG12 ILE A 47 7.456 7.680 9.324 1.00 0.00 H new ATOM 0 HG13 ILE A 47 6.031 7.964 8.344 1.00 0.00 H new ATOM 0 HG21 ILE A 47 6.494 6.195 11.631 1.00 0.00 H new ATOM 0 HG22 ILE A 47 6.301 4.576 10.917 1.00 0.00 H new ATOM 0 HG23 ILE A 47 7.731 5.559 10.521 1.00 0.00 H new ATOM 0 HD11 ILE A 47 6.202 9.615 10.141 1.00 0.00 H new ATOM 0 HD12 ILE A 47 4.756 8.601 10.361 1.00 0.00 H new ATOM 0 HD13 ILE A 47 6.204 8.313 11.355 1.00 0.00 H new ATOM 665 N LEU A 48 6.299 2.995 8.830 1.00 0.00 N ATOM 666 CA LEU A 48 5.797 1.643 9.040 1.00 0.00 C ATOM 667 C LEU A 48 4.992 1.558 10.333 1.00 0.00 C ATOM 668 O LEU A 48 5.550 1.627 11.429 1.00 0.00 O ATOM 669 CB LEU A 48 6.958 0.646 9.082 1.00 0.00 C ATOM 670 CG LEU A 48 6.550 -0.825 9.006 1.00 0.00 C ATOM 671 CD1 LEU A 48 6.017 -1.160 7.621 1.00 0.00 C ATOM 672 CD2 LEU A 48 7.729 -1.722 9.357 1.00 0.00 C ATOM 0 H LEU A 48 7.303 3.099 8.975 1.00 0.00 H new ATOM 0 HA LEU A 48 5.141 1.391 8.207 1.00 0.00 H new ATOM 0 HB2 LEU A 48 7.634 0.863 8.255 1.00 0.00 H new ATOM 0 HB3 LEU A 48 7.520 0.804 10.002 1.00 0.00 H new ATOM 0 HG LEU A 48 5.755 -1.001 9.731 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.731 -2.211 7.586 1.00 0.00 H new ATOM 0 HD12 LEU A 48 5.146 -0.540 7.406 1.00 0.00 H new ATOM 0 HD13 LEU A 48 6.791 -0.969 6.877 1.00 0.00 H new ATOM 0 HD21 LEU A 48 7.422 -2.766 9.298 1.00 0.00 H new ATOM 0 HD22 LEU A 48 8.544 -1.543 8.655 1.00 0.00 H new ATOM 0 HD23 LEU A 48 8.067 -1.500 10.369 1.00 0.00 H new ATOM 684 N ARG A 49 3.679 1.406 10.199 1.00 0.00 N ATOM 685 CA ARG A 49 2.798 1.312 11.357 1.00 0.00 C ATOM 686 C ARG A 49 2.368 -0.131 11.598 1.00 0.00 C ATOM 687 O ARG A 49 2.146 -0.540 12.738 1.00 0.00 O ATOM 688 CB ARG A 49 1.565 2.197 11.159 1.00 0.00 C ATOM 689 CG ARG A 49 1.896 3.672 10.998 1.00 0.00 C ATOM 690 CD ARG A 49 2.469 4.257 12.277 1.00 0.00 C ATOM 691 NE ARG A 49 1.500 4.240 13.370 1.00 0.00 N ATOM 692 CZ ARG A 49 1.765 4.664 14.603 1.00 0.00 C ATOM 693 NH1 ARG A 49 2.968 5.138 14.905 1.00 0.00 N ATOM 694 NH2 ARG A 49 0.827 4.613 15.538 1.00 0.00 N ATOM 0 H ARG A 49 3.201 1.345 9.300 1.00 0.00 H new ATOM 0 HA ARG A 49 3.350 1.659 12.231 1.00 0.00 H new ATOM 0 HB2 ARG A 49 1.021 1.857 10.278 1.00 0.00 H new ATOM 0 HB3 ARG A 49 0.898 2.074 12.012 1.00 0.00 H new ATOM 0 HG2 ARG A 49 2.612 3.799 10.186 1.00 0.00 H new ATOM 0 HG3 ARG A 49 0.996 4.219 10.718 1.00 0.00 H new ATOM 0 HD2 ARG A 49 3.354 3.692 12.569 1.00 0.00 H new ATOM 0 HD3 ARG A 49 2.791 5.282 12.094 1.00 0.00 H new ATOM 0 HE ARG A 49 0.565 3.882 13.176 1.00 0.00 H new ATOM 0 HH11 ARG A 49 3.694 5.178 14.190 1.00 0.00 H new ATOM 0 HH12 ARG A 49 3.166 5.462 15.852 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -0.099 4.249 15.312 1.00 0.00 H new ATOM 0 HH22 ARG A 49 1.031 4.938 16.483 1.00 0.00 H new ATOM 708 N PHE A 50 2.255 -0.899 10.520 1.00 0.00 N ATOM 709 CA PHE A 50 1.852 -2.297 10.617 1.00 0.00 C ATOM 710 C PHE A 50 2.533 -3.136 9.540 1.00 0.00 C ATOM 711 O PHE A 50 3.047 -2.602 8.557 1.00 0.00 O ATOM 712 CB PHE A 50 0.332 -2.421 10.490 1.00 0.00 C ATOM 713 CG PHE A 50 -0.173 -3.824 10.671 1.00 0.00 C ATOM 714 CD1 PHE A 50 -0.100 -4.446 11.907 1.00 0.00 C ATOM 715 CD2 PHE A 50 -0.720 -4.520 9.605 1.00 0.00 C ATOM 716 CE1 PHE A 50 -0.564 -5.737 12.076 1.00 0.00 C ATOM 717 CE2 PHE A 50 -1.186 -5.810 9.768 1.00 0.00 C ATOM 718 CZ PHE A 50 -1.107 -6.420 11.005 1.00 0.00 C ATOM 0 H PHE A 50 2.437 -0.577 9.569 1.00 0.00 H new ATOM 0 HA PHE A 50 2.161 -2.671 11.593 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -0.140 -1.775 11.230 1.00 0.00 H new ATOM 0 HB3 PHE A 50 0.027 -2.057 9.509 1.00 0.00 H new ATOM 0 HD1 PHE A 50 0.324 -3.916 12.747 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -0.783 -4.048 8.635 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -0.502 -6.211 13.044 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -1.612 -6.341 8.929 1.00 0.00 H new ATOM 0 HZ PHE A 50 -1.469 -7.429 11.135 1.00 0.00 H new ATOM 728 N LYS A 51 2.534 -4.451 9.733 1.00 0.00 N ATOM 729 CA LYS A 51 3.152 -5.364 8.778 1.00 0.00 C ATOM 730 C LYS A 51 2.878 -6.816 9.158 1.00 0.00 C ATOM 731 O LYS A 51 3.490 -7.353 10.081 1.00 0.00 O ATOM 732 CB LYS A 51 4.660 -5.119 8.709 1.00 0.00 C ATOM 733 CG LYS A 51 5.340 -5.120 10.069 1.00 0.00 C ATOM 734 CD LYS A 51 6.215 -6.350 10.258 1.00 0.00 C ATOM 735 CE LYS A 51 6.483 -6.626 11.729 1.00 0.00 C ATOM 736 NZ LYS A 51 5.901 -7.926 12.165 1.00 0.00 N ATOM 0 H LYS A 51 2.114 -4.908 10.542 1.00 0.00 H new ATOM 0 HA LYS A 51 2.715 -5.175 7.798 1.00 0.00 H new ATOM 0 HB2 LYS A 51 5.116 -5.886 8.084 1.00 0.00 H new ATOM 0 HB3 LYS A 51 4.842 -4.161 8.222 1.00 0.00 H new ATOM 0 HG2 LYS A 51 5.948 -4.221 10.173 1.00 0.00 H new ATOM 0 HG3 LYS A 51 4.584 -5.086 10.854 1.00 0.00 H new ATOM 0 HD2 LYS A 51 5.729 -7.215 9.808 1.00 0.00 H new ATOM 0 HD3 LYS A 51 7.161 -6.208 9.736 1.00 0.00 H new ATOM 0 HE2 LYS A 51 7.558 -6.632 11.907 1.00 0.00 H new ATOM 0 HE3 LYS A 51 6.064 -5.820 12.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 5.720 -7.899 13.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 5.007 -8.093 11.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 6.568 -8.694 11.951 1.00 0.00 H new ATOM 750 N GLY A 52 1.953 -7.444 8.439 1.00 0.00 N ATOM 751 CA GLY A 52 1.614 -8.828 8.716 1.00 0.00 C ATOM 752 C GLY A 52 0.325 -9.255 8.041 1.00 0.00 C ATOM 753 O GLY A 52 -0.170 -8.570 7.144 1.00 0.00 O ATOM 0 H GLY A 52 1.433 -7.020 7.671 1.00 0.00 H new ATOM 0 HA2 GLY A 52 2.427 -9.472 8.381 1.00 0.00 H new ATOM 0 HA3 GLY A 52 1.520 -8.967 9.793 1.00 0.00 H new ATOM 757 N GLU A 53 -0.218 -10.389 8.470 1.00 0.00 N ATOM 758 CA GLU A 53 -1.457 -10.906 7.901 1.00 0.00 C ATOM 759 C GLU A 53 -2.661 -10.130 8.425 1.00 0.00 C ATOM 760 O GLU A 53 -2.615 -9.549 9.509 1.00 0.00 O ATOM 761 CB GLU A 53 -1.612 -12.392 8.227 1.00 0.00 C ATOM 762 CG GLU A 53 -0.419 -13.235 7.805 1.00 0.00 C ATOM 763 CD GLU A 53 -0.030 -14.260 8.851 1.00 0.00 C ATOM 764 OE1 GLU A 53 -0.865 -15.135 9.164 1.00 0.00 O ATOM 765 OE2 GLU A 53 1.110 -14.190 9.357 1.00 0.00 O ATOM 0 H GLU A 53 0.180 -10.968 9.210 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.410 -10.782 6.819 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -1.765 -12.506 9.300 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -2.507 -12.772 7.735 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -0.652 -13.746 6.871 1.00 0.00 H new ATOM 0 HG3 GLU A 53 0.431 -12.582 7.608 1.00 0.00 H new ATOM 772 N THR A 54 -3.739 -10.126 7.647 1.00 0.00 N ATOM 773 CA THR A 54 -4.957 -9.421 8.032 1.00 0.00 C ATOM 774 C THR A 54 -6.181 -10.315 7.860 1.00 0.00 C ATOM 775 O THR A 54 -6.057 -11.499 7.543 1.00 0.00 O ATOM 776 CB THR A 54 -5.119 -8.149 7.201 1.00 0.00 C ATOM 777 OG1 THR A 54 -5.331 -8.465 5.836 1.00 0.00 O ATOM 778 CG2 THR A 54 -3.923 -7.225 7.278 1.00 0.00 C ATOM 0 H THR A 54 -3.794 -10.603 6.747 1.00 0.00 H new ATOM 0 HA THR A 54 -4.873 -9.150 9.084 1.00 0.00 H new ATOM 0 HB THR A 54 -5.981 -7.635 7.626 1.00 0.00 H new ATOM 0 HG1 THR A 54 -5.685 -7.679 5.369 1.00 0.00 H new ATOM 0 HG21 THR A 54 -4.105 -6.342 6.665 1.00 0.00 H new ATOM 0 HG22 THR A 54 -3.764 -6.922 8.313 1.00 0.00 H new ATOM 0 HG23 THR A 54 -3.038 -7.745 6.912 1.00 0.00 H new ATOM 786 N SER A 55 -7.360 -9.742 8.071 1.00 0.00 N ATOM 787 CA SER A 55 -8.607 -10.487 7.938 1.00 0.00 C ATOM 788 C SER A 55 -9.261 -10.217 6.588 1.00 0.00 C ATOM 789 O SER A 55 -9.839 -11.115 5.975 1.00 0.00 O ATOM 790 CB SER A 55 -9.569 -10.116 9.069 1.00 0.00 C ATOM 791 OG SER A 55 -9.442 -11.010 10.161 1.00 0.00 O ATOM 0 H SER A 55 -7.479 -8.764 8.335 1.00 0.00 H new ATOM 0 HA SER A 55 -8.375 -11.550 8.001 1.00 0.00 H new ATOM 0 HB2 SER A 55 -9.367 -9.098 9.403 1.00 0.00 H new ATOM 0 HB3 SER A 55 -10.594 -10.133 8.699 1.00 0.00 H new ATOM 0 HG SER A 55 -10.066 -10.750 10.871 1.00 0.00 H new ATOM 797 N PHE A 56 -9.168 -8.973 6.128 1.00 0.00 N ATOM 798 CA PHE A 56 -9.751 -8.584 4.850 1.00 0.00 C ATOM 799 C PHE A 56 -9.073 -9.318 3.697 1.00 0.00 C ATOM 800 O PHE A 56 -9.699 -9.603 2.676 1.00 0.00 O ATOM 801 CB PHE A 56 -9.631 -7.072 4.650 1.00 0.00 C ATOM 802 CG PHE A 56 -8.219 -6.565 4.734 1.00 0.00 C ATOM 803 CD1 PHE A 56 -7.386 -6.608 3.628 1.00 0.00 C ATOM 804 CD2 PHE A 56 -7.726 -6.047 5.921 1.00 0.00 C ATOM 805 CE1 PHE A 56 -6.087 -6.142 3.703 1.00 0.00 C ATOM 806 CE2 PHE A 56 -6.428 -5.579 6.002 1.00 0.00 C ATOM 807 CZ PHE A 56 -5.607 -5.627 4.892 1.00 0.00 C ATOM 0 H PHE A 56 -8.694 -8.217 6.622 1.00 0.00 H new ATOM 0 HA PHE A 56 -10.806 -8.859 4.861 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -10.046 -6.808 3.677 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -10.236 -6.565 5.402 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -7.756 -7.010 2.696 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -8.363 -6.009 6.792 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -5.448 -6.180 2.833 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -6.056 -5.176 6.932 1.00 0.00 H new ATOM 0 HZ PHE A 56 -4.592 -5.263 4.953 1.00 0.00 H new ATOM 817 N ALA A 57 -7.789 -9.617 3.866 1.00 0.00 N ATOM 818 CA ALA A 57 -7.026 -10.316 2.840 1.00 0.00 C ATOM 819 C ALA A 57 -5.835 -11.051 3.446 1.00 0.00 C ATOM 820 O ALA A 57 -5.270 -10.616 4.449 1.00 0.00 O ATOM 821 CB ALA A 57 -6.557 -9.338 1.773 1.00 0.00 C ATOM 0 H ALA A 57 -7.256 -9.386 4.704 1.00 0.00 H new ATOM 0 HA ALA A 57 -7.679 -11.056 2.378 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -5.988 -9.874 1.013 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -7.422 -8.862 1.311 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -5.925 -8.577 2.230 1.00 0.00 H new ATOM 827 N LYS A 58 -5.459 -12.166 2.830 1.00 0.00 N ATOM 828 CA LYS A 58 -4.334 -12.962 3.309 1.00 0.00 C ATOM 829 C LYS A 58 -3.011 -12.380 2.826 1.00 0.00 C ATOM 830 O LYS A 58 -2.984 -11.532 1.933 1.00 0.00 O ATOM 831 CB LYS A 58 -4.471 -14.412 2.838 1.00 0.00 C ATOM 832 CG LYS A 58 -3.988 -15.432 3.858 1.00 0.00 C ATOM 833 CD LYS A 58 -2.715 -16.124 3.398 1.00 0.00 C ATOM 834 CE LYS A 58 -1.990 -16.787 4.558 1.00 0.00 C ATOM 835 NZ LYS A 58 -0.876 -15.941 5.071 1.00 0.00 N ATOM 0 H LYS A 58 -5.916 -12.539 1.998 1.00 0.00 H new ATOM 0 HA LYS A 58 -4.343 -12.939 4.399 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -5.517 -14.612 2.604 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -3.907 -14.540 1.914 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -3.809 -14.936 4.812 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -4.767 -16.176 4.026 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -2.959 -16.873 2.644 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -2.056 -15.397 2.923 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -2.697 -16.984 5.364 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -1.596 -17.751 4.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 0.012 -16.482 5.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -0.783 -15.092 4.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -1.078 -15.658 6.051 1.00 0.00 H new ATOM 849 N GLY A 59 -1.915 -12.840 3.419 1.00 0.00 N ATOM 850 CA GLY A 59 -0.602 -12.355 3.035 1.00 0.00 C ATOM 851 C GLY A 59 -0.146 -11.185 3.886 1.00 0.00 C ATOM 852 O GLY A 59 -0.934 -10.611 4.638 1.00 0.00 O ATOM 0 H GLY A 59 -1.912 -13.541 4.160 1.00 0.00 H new ATOM 0 HA2 GLY A 59 0.121 -13.166 3.120 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -0.621 -12.053 1.988 1.00 0.00 H new ATOM 856 N PHE A 60 1.130 -10.831 3.765 1.00 0.00 N ATOM 857 CA PHE A 60 1.690 -9.722 4.529 1.00 0.00 C ATOM 858 C PHE A 60 1.176 -8.385 4.003 1.00 0.00 C ATOM 859 O PHE A 60 1.223 -8.118 2.803 1.00 0.00 O ATOM 860 CB PHE A 60 3.218 -9.756 4.470 1.00 0.00 C ATOM 861 CG PHE A 60 3.852 -10.379 5.681 1.00 0.00 C ATOM 862 CD1 PHE A 60 3.927 -11.757 5.808 1.00 0.00 C ATOM 863 CD2 PHE A 60 4.369 -9.588 6.694 1.00 0.00 C ATOM 864 CE1 PHE A 60 4.508 -12.334 6.921 1.00 0.00 C ATOM 865 CE2 PHE A 60 4.950 -10.158 7.810 1.00 0.00 C ATOM 866 CZ PHE A 60 5.020 -11.533 7.923 1.00 0.00 C ATOM 0 H PHE A 60 1.795 -11.295 3.146 1.00 0.00 H new ATOM 0 HA PHE A 60 1.372 -9.829 5.566 1.00 0.00 H new ATOM 0 HB2 PHE A 60 3.527 -10.309 3.583 1.00 0.00 H new ATOM 0 HB3 PHE A 60 3.592 -8.738 4.357 1.00 0.00 H new ATOM 0 HD1 PHE A 60 3.527 -12.387 5.028 1.00 0.00 H new ATOM 0 HD2 PHE A 60 4.317 -8.513 6.610 1.00 0.00 H new ATOM 0 HE1 PHE A 60 4.562 -13.409 7.007 1.00 0.00 H new ATOM 0 HE2 PHE A 60 5.349 -9.530 8.593 1.00 0.00 H new ATOM 0 HZ PHE A 60 5.475 -11.981 8.794 1.00 0.00 H new ATOM 876 N TRP A 61 0.686 -7.549 4.912 1.00 0.00 N ATOM 877 CA TRP A 61 0.164 -6.238 4.542 1.00 0.00 C ATOM 878 C TRP A 61 0.736 -5.150 5.445 1.00 0.00 C ATOM 879 O TRP A 61 0.371 -5.045 6.615 1.00 0.00 O ATOM 880 CB TRP A 61 -1.365 -6.233 4.625 1.00 0.00 C ATOM 881 CG TRP A 61 -2.022 -7.010 3.525 1.00 0.00 C ATOM 882 CD1 TRP A 61 -2.750 -8.157 3.655 1.00 0.00 C ATOM 883 CD2 TRP A 61 -2.009 -6.697 2.128 1.00 0.00 C ATOM 884 NE1 TRP A 61 -3.193 -8.576 2.423 1.00 0.00 N ATOM 885 CE2 TRP A 61 -2.750 -7.697 1.469 1.00 0.00 C ATOM 886 CE3 TRP A 61 -1.442 -5.668 1.369 1.00 0.00 C ATOM 887 CZ2 TRP A 61 -2.939 -7.697 0.090 1.00 0.00 C ATOM 888 CZ3 TRP A 61 -1.631 -5.669 0.000 1.00 0.00 C ATOM 889 CH2 TRP A 61 -2.374 -6.678 -0.627 1.00 0.00 C ATOM 0 H TRP A 61 0.639 -7.755 5.910 1.00 0.00 H new ATOM 0 HA TRP A 61 0.467 -6.030 3.516 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -1.671 -6.647 5.586 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -1.720 -5.203 4.595 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -2.949 -8.662 4.589 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -3.759 -9.406 2.247 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -0.867 -4.887 1.844 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -3.511 -8.473 -0.396 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -1.199 -4.879 -0.596 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -2.503 -6.651 -1.699 1.00 0.00 H new ATOM 900 N ALA A 62 1.637 -4.344 4.892 1.00 0.00 N ATOM 901 CA ALA A 62 2.260 -3.264 5.646 1.00 0.00 C ATOM 902 C ALA A 62 1.442 -1.982 5.552 1.00 0.00 C ATOM 903 O ALA A 62 1.180 -1.481 4.458 1.00 0.00 O ATOM 904 CB ALA A 62 3.679 -3.027 5.151 1.00 0.00 C ATOM 0 H ALA A 62 1.951 -4.419 3.925 1.00 0.00 H new ATOM 0 HA ALA A 62 2.297 -3.561 6.694 1.00 0.00 H new ATOM 0 HB1 ALA A 62 4.133 -2.218 5.723 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.266 -3.936 5.280 1.00 0.00 H new ATOM 0 HB3 ALA A 62 3.656 -2.757 4.095 1.00 0.00 H new ATOM 910 N GLY A 63 1.040 -1.455 6.704 1.00 0.00 N ATOM 911 CA GLY A 63 0.255 -0.235 6.727 1.00 0.00 C ATOM 912 C GLY A 63 1.108 0.998 6.951 1.00 0.00 C ATOM 913 O GLY A 63 1.269 1.452 8.083 1.00 0.00 O ATOM 0 H GLY A 63 1.244 -1.851 7.622 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -0.283 -0.135 5.784 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -0.494 -0.303 7.516 1.00 0.00 H new ATOM 917 N VAL A 64 1.653 1.541 5.869 1.00 0.00 N ATOM 918 CA VAL A 64 2.496 2.729 5.950 1.00 0.00 C ATOM 919 C VAL A 64 1.653 3.990 6.108 1.00 0.00 C ATOM 920 O VAL A 64 0.596 4.124 5.490 1.00 0.00 O ATOM 921 CB VAL A 64 3.385 2.873 4.701 1.00 0.00 C ATOM 922 CG1 VAL A 64 4.393 3.996 4.889 1.00 0.00 C ATOM 923 CG2 VAL A 64 4.089 1.560 4.392 1.00 0.00 C ATOM 0 H VAL A 64 1.527 1.178 4.924 1.00 0.00 H new ATOM 0 HA VAL A 64 3.132 2.607 6.827 1.00 0.00 H new ATOM 0 HB VAL A 64 2.749 3.126 3.852 1.00 0.00 H new ATOM 0 HG11 VAL A 64 5.012 4.082 3.996 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.865 4.935 5.057 1.00 0.00 H new ATOM 0 HG13 VAL A 64 5.026 3.777 5.749 1.00 0.00 H new ATOM 0 HG21 VAL A 64 4.713 1.681 3.506 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.713 1.274 5.239 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.346 0.783 4.209 1.00 0.00 H new ATOM 933 N GLU A 65 2.127 4.910 6.941 1.00 0.00 N ATOM 934 CA GLU A 65 1.417 6.162 7.180 1.00 0.00 C ATOM 935 C GLU A 65 2.014 7.293 6.348 1.00 0.00 C ATOM 936 O GLU A 65 3.061 7.842 6.688 1.00 0.00 O ATOM 937 CB GLU A 65 1.466 6.524 8.666 1.00 0.00 C ATOM 938 CG GLU A 65 0.317 7.412 9.112 1.00 0.00 C ATOM 939 CD GLU A 65 0.561 8.878 8.811 1.00 0.00 C ATOM 940 OE1 GLU A 65 1.737 9.259 8.630 1.00 0.00 O ATOM 941 OE2 GLU A 65 -0.424 9.645 8.756 1.00 0.00 O ATOM 0 H GLU A 65 2.999 4.813 7.462 1.00 0.00 H new ATOM 0 HA GLU A 65 0.378 6.025 6.881 1.00 0.00 H new ATOM 0 HB2 GLU A 65 1.456 5.607 9.256 1.00 0.00 H new ATOM 0 HB3 GLU A 65 2.408 7.029 8.878 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -0.599 7.091 8.616 1.00 0.00 H new ATOM 0 HG3 GLU A 65 0.160 7.286 10.183 1.00 0.00 H new ATOM 948 N LEU A 66 1.339 7.636 5.256 1.00 0.00 N ATOM 949 CA LEU A 66 1.801 8.701 4.374 1.00 0.00 C ATOM 950 C LEU A 66 1.783 10.048 5.091 1.00 0.00 C ATOM 951 O LEU A 66 0.983 10.268 6.001 1.00 0.00 O ATOM 952 CB LEU A 66 0.930 8.767 3.119 1.00 0.00 C ATOM 953 CG LEU A 66 0.712 7.428 2.411 1.00 0.00 C ATOM 954 CD1 LEU A 66 -0.127 7.618 1.156 1.00 0.00 C ATOM 955 CD2 LEU A 66 2.046 6.784 2.068 1.00 0.00 C ATOM 0 H LEU A 66 0.470 7.192 4.961 1.00 0.00 H new ATOM 0 HA LEU A 66 2.828 8.478 4.084 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -0.042 9.179 3.391 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.386 9.463 2.415 1.00 0.00 H new ATOM 0 HG LEU A 66 0.173 6.765 3.087 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.272 6.655 0.666 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -1.096 8.037 1.426 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.385 8.298 0.476 1.00 0.00 H new ATOM 0 HD21 LEU A 66 1.872 5.833 1.565 1.00 0.00 H new ATOM 0 HD22 LEU A 66 2.610 7.445 1.410 1.00 0.00 H new ATOM 0 HD23 LEU A 66 2.613 6.612 2.983 1.00 0.00 H new ATOM 967 N ASP A 67 2.669 10.946 4.674 1.00 0.00 N ATOM 968 CA ASP A 67 2.755 12.271 5.275 1.00 0.00 C ATOM 969 C ASP A 67 1.564 13.132 4.866 1.00 0.00 C ATOM 970 O ASP A 67 1.051 13.919 5.661 1.00 0.00 O ATOM 971 CB ASP A 67 4.060 12.957 4.866 1.00 0.00 C ATOM 972 CG ASP A 67 5.281 12.259 5.432 1.00 0.00 C ATOM 973 OD1 ASP A 67 5.182 11.695 6.542 1.00 0.00 O ATOM 974 OD2 ASP A 67 6.338 12.277 4.765 1.00 0.00 O ATOM 0 H ASP A 67 3.338 10.780 3.922 1.00 0.00 H new ATOM 0 HA ASP A 67 2.740 12.152 6.358 1.00 0.00 H new ATOM 0 HB2 ASP A 67 4.130 12.981 3.778 1.00 0.00 H new ATOM 0 HB3 ASP A 67 4.046 13.992 5.207 1.00 0.00 H new ATOM 979 N LYS A 68 1.130 12.978 3.619 1.00 0.00 N ATOM 980 CA LYS A 68 -0.001 13.739 3.103 1.00 0.00 C ATOM 981 C LYS A 68 -1.099 12.807 2.595 1.00 0.00 C ATOM 982 O LYS A 68 -0.841 11.645 2.281 1.00 0.00 O ATOM 983 CB LYS A 68 0.455 14.672 1.978 1.00 0.00 C ATOM 984 CG LYS A 68 0.738 16.092 2.443 1.00 0.00 C ATOM 985 CD LYS A 68 0.310 17.114 1.403 1.00 0.00 C ATOM 986 CE LYS A 68 1.296 18.269 1.318 1.00 0.00 C ATOM 987 NZ LYS A 68 1.121 19.232 2.441 1.00 0.00 N ATOM 0 H LYS A 68 1.545 12.332 2.947 1.00 0.00 H new ATOM 0 HA LYS A 68 -0.407 14.337 3.919 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.355 14.262 1.520 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -0.313 14.698 1.205 1.00 0.00 H new ATOM 0 HG2 LYS A 68 0.212 16.281 3.379 1.00 0.00 H new ATOM 0 HG3 LYS A 68 1.803 16.204 2.648 1.00 0.00 H new ATOM 0 HD2 LYS A 68 0.228 16.631 0.429 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -0.680 17.497 1.653 1.00 0.00 H new ATOM 0 HE2 LYS A 68 2.314 17.879 1.329 1.00 0.00 H new ATOM 0 HE3 LYS A 68 1.165 18.790 0.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 1.811 20.004 2.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 0.158 19.624 2.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 1.271 18.741 3.346 1.00 0.00 H new ATOM 1001 N PRO A 69 -2.344 13.307 2.509 1.00 0.00 N ATOM 1002 CA PRO A 69 -3.483 12.512 2.036 1.00 0.00 C ATOM 1003 C PRO A 69 -3.228 11.892 0.666 1.00 0.00 C ATOM 1004 O PRO A 69 -3.571 12.475 -0.363 1.00 0.00 O ATOM 1005 CB PRO A 69 -4.624 13.531 1.958 1.00 0.00 C ATOM 1006 CG PRO A 69 -4.238 14.610 2.909 1.00 0.00 C ATOM 1007 CD PRO A 69 -2.737 14.682 2.863 1.00 0.00 C ATOM 0 HA PRO A 69 -3.692 11.670 2.696 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -4.739 13.919 0.946 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -5.576 13.080 2.237 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -4.684 15.562 2.621 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -4.588 14.386 3.917 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -2.391 15.403 2.122 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -2.319 14.986 3.823 1.00 0.00 H new ATOM 1015 N GLU A 70 -2.628 10.707 0.660 1.00 0.00 N ATOM 1016 CA GLU A 70 -2.329 10.007 -0.584 1.00 0.00 C ATOM 1017 C GLU A 70 -2.551 8.505 -0.430 1.00 0.00 C ATOM 1018 O GLU A 70 -1.885 7.700 -1.081 1.00 0.00 O ATOM 1019 CB GLU A 70 -0.886 10.279 -1.013 1.00 0.00 C ATOM 1020 CG GLU A 70 -0.527 11.756 -1.035 1.00 0.00 C ATOM 1021 CD GLU A 70 0.290 12.139 -2.253 1.00 0.00 C ATOM 1022 OE1 GLU A 70 1.034 11.275 -2.765 1.00 0.00 O ATOM 1023 OE2 GLU A 70 0.188 13.302 -2.696 1.00 0.00 O ATOM 0 H GLU A 70 -2.339 10.211 1.503 1.00 0.00 H new ATOM 0 HA GLU A 70 -3.006 10.380 -1.353 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -0.210 9.759 -0.334 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -0.726 9.860 -2.006 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -1.441 12.349 -1.014 1.00 0.00 H new ATOM 0 HG3 GLU A 70 0.034 12.003 -0.134 1.00 0.00 H new ATOM 1030 N GLY A 71 -3.491 8.135 0.433 1.00 0.00 N ATOM 1031 CA GLY A 71 -3.784 6.732 0.655 1.00 0.00 C ATOM 1032 C GLY A 71 -5.262 6.420 0.522 1.00 0.00 C ATOM 1033 O GLY A 71 -5.925 6.905 -0.396 1.00 0.00 O ATOM 0 H GLY A 71 -4.055 8.783 0.983 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -3.223 6.129 -0.059 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -3.444 6.446 1.650 1.00 0.00 H new ATOM 1037 N ASN A 72 -5.779 5.609 1.438 1.00 0.00 N ATOM 1038 CA ASN A 72 -7.188 5.233 1.418 1.00 0.00 C ATOM 1039 C ASN A 72 -7.543 4.384 2.634 1.00 0.00 C ATOM 1040 O ASN A 72 -8.331 3.443 2.537 1.00 0.00 O ATOM 1041 CB ASN A 72 -7.515 4.470 0.132 1.00 0.00 C ATOM 1042 CG ASN A 72 -6.734 3.175 0.015 1.00 0.00 C ATOM 1043 OD1 ASN A 72 -5.470 3.281 -0.378 1.00 0.00 O flip ATOM 1044 ND2 ASN A 72 -7.261 2.094 0.273 1.00 0.00 N flip ATOM 0 H ASN A 72 -5.244 5.199 2.204 1.00 0.00 H new ATOM 0 HA ASN A 72 -7.783 6.146 1.451 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -8.582 4.251 0.104 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -7.296 5.102 -0.728 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -8.236 2.060 0.572 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -6.723 1.231 0.188 1.00 0.00 H new ATOM 1051 N ASN A 73 -6.959 4.724 3.777 1.00 0.00 N ATOM 1052 CA ASN A 73 -7.214 3.993 5.013 1.00 0.00 C ATOM 1053 C ASN A 73 -6.875 4.848 6.229 1.00 0.00 C ATOM 1054 O ASN A 73 -6.083 5.786 6.140 1.00 0.00 O ATOM 1055 CB ASN A 73 -6.401 2.698 5.042 1.00 0.00 C ATOM 1056 CG ASN A 73 -7.005 1.616 4.169 1.00 0.00 C ATOM 1057 OD1 ASN A 73 -8.141 1.192 4.381 1.00 0.00 O ATOM 1058 ND2 ASN A 73 -6.245 1.161 3.180 1.00 0.00 N ATOM 0 H ASN A 73 -6.306 5.501 3.874 1.00 0.00 H new ATOM 0 HA ASN A 73 -8.275 3.747 5.048 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -5.384 2.904 4.709 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -6.334 2.337 6.068 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -6.597 0.432 2.560 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -5.309 1.541 3.040 1.00 0.00 H new ATOM 1065 N ASN A 74 -7.479 4.517 7.366 1.00 0.00 N ATOM 1066 CA ASN A 74 -7.240 5.256 8.601 1.00 0.00 C ATOM 1067 C ASN A 74 -6.730 4.331 9.701 1.00 0.00 C ATOM 1068 O ASN A 74 -6.945 4.583 10.886 1.00 0.00 O ATOM 1069 CB ASN A 74 -8.523 5.951 9.059 1.00 0.00 C ATOM 1070 CG ASN A 74 -9.660 4.974 9.289 1.00 0.00 C ATOM 1071 OD1 ASN A 74 -9.803 4.414 10.375 1.00 0.00 O ATOM 1072 ND2 ASN A 74 -10.476 4.764 8.262 1.00 0.00 N ATOM 0 H ASN A 74 -8.137 3.743 7.458 1.00 0.00 H new ATOM 0 HA ASN A 74 -6.477 6.008 8.402 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -8.327 6.499 9.980 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -8.823 6.684 8.310 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -11.259 4.117 8.356 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -10.320 5.250 7.379 1.00 0.00 H new ATOM 1079 N GLY A 75 -6.053 3.259 9.300 1.00 0.00 N ATOM 1080 CA GLY A 75 -5.522 2.314 10.266 1.00 0.00 C ATOM 1081 C GLY A 75 -6.475 1.168 10.550 1.00 0.00 C ATOM 1082 O GLY A 75 -6.058 0.110 11.022 1.00 0.00 O ATOM 0 H GLY A 75 -5.863 3.028 8.325 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -4.579 1.913 9.895 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -5.302 2.837 11.197 1.00 0.00 H new ATOM 1086 N THR A 76 -7.758 1.376 10.265 1.00 0.00 N ATOM 1087 CA THR A 76 -8.767 0.349 10.498 1.00 0.00 C ATOM 1088 C THR A 76 -9.357 -0.146 9.182 1.00 0.00 C ATOM 1089 O THR A 76 -10.130 0.559 8.532 1.00 0.00 O ATOM 1090 CB THR A 76 -9.880 0.894 11.395 1.00 0.00 C ATOM 1091 OG1 THR A 76 -9.402 1.964 12.191 1.00 0.00 O ATOM 1092 CG2 THR A 76 -10.461 -0.147 12.326 1.00 0.00 C ATOM 0 H THR A 76 -8.122 2.245 9.873 1.00 0.00 H new ATOM 0 HA THR A 76 -8.284 -0.491 10.997 1.00 0.00 H new ATOM 0 HB THR A 76 -10.664 1.227 10.715 1.00 0.00 H new ATOM 0 HG1 THR A 76 -9.486 2.804 11.694 1.00 0.00 H new ATOM 0 HG21 THR A 76 -11.245 0.305 12.934 1.00 0.00 H new ATOM 0 HG22 THR A 76 -10.882 -0.964 11.741 1.00 0.00 H new ATOM 0 HG23 THR A 76 -9.675 -0.533 12.976 1.00 0.00 H new ATOM 1100 N TYR A 77 -8.989 -1.363 8.794 1.00 0.00 N ATOM 1101 CA TYR A 77 -9.484 -1.954 7.557 1.00 0.00 C ATOM 1102 C TYR A 77 -10.624 -2.926 7.841 1.00 0.00 C ATOM 1103 O TYR A 77 -10.423 -3.973 8.456 1.00 0.00 O ATOM 1104 CB TYR A 77 -8.354 -2.676 6.822 1.00 0.00 C ATOM 1105 CG TYR A 77 -8.609 -2.855 5.342 1.00 0.00 C ATOM 1106 CD1 TYR A 77 -9.571 -3.749 4.887 1.00 0.00 C ATOM 1107 CD2 TYR A 77 -7.890 -2.130 4.401 1.00 0.00 C ATOM 1108 CE1 TYR A 77 -9.809 -3.914 3.536 1.00 0.00 C ATOM 1109 CE2 TYR A 77 -8.122 -2.290 3.048 1.00 0.00 C ATOM 1110 CZ TYR A 77 -9.082 -3.183 2.620 1.00 0.00 C ATOM 1111 OH TYR A 77 -9.315 -3.345 1.274 1.00 0.00 O ATOM 0 H TYR A 77 -8.349 -1.959 9.319 1.00 0.00 H new ATOM 0 HA TYR A 77 -9.862 -1.151 6.925 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -7.429 -2.116 6.957 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -8.204 -3.655 7.277 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -10.142 -4.324 5.601 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -7.137 -1.430 4.732 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -10.561 -4.612 3.199 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -7.554 -1.718 2.329 1.00 0.00 H new ATOM 0 HH TYR A 77 -8.720 -2.755 0.766 1.00 0.00 H new ATOM 1121 N ASP A 78 -11.823 -2.571 7.391 1.00 0.00 N ATOM 1122 CA ASP A 78 -12.998 -3.411 7.598 1.00 0.00 C ATOM 1123 C ASP A 78 -13.310 -3.555 9.085 1.00 0.00 C ATOM 1124 O ASP A 78 -13.883 -4.557 9.514 1.00 0.00 O ATOM 1125 CB ASP A 78 -12.783 -4.792 6.975 1.00 0.00 C ATOM 1126 CG ASP A 78 -14.072 -5.400 6.460 1.00 0.00 C ATOM 1127 OD1 ASP A 78 -14.879 -4.661 5.857 1.00 0.00 O ATOM 1128 OD2 ASP A 78 -14.276 -6.616 6.657 1.00 0.00 O ATOM 0 H ASP A 78 -12.007 -1.707 6.881 1.00 0.00 H new ATOM 0 HA ASP A 78 -13.846 -2.929 7.111 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -12.070 -4.711 6.155 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -12.341 -5.458 7.717 1.00 0.00 H new ATOM 1133 N GLY A 79 -12.932 -2.548 9.867 1.00 0.00 N ATOM 1134 CA GLY A 79 -13.183 -2.585 11.296 1.00 0.00 C ATOM 1135 C GLY A 79 -11.958 -2.995 12.092 1.00 0.00 C ATOM 1136 O GLY A 79 -11.810 -2.615 13.254 1.00 0.00 O ATOM 0 H GLY A 79 -12.457 -1.708 9.537 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -13.516 -1.602 11.629 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -13.995 -3.282 11.501 1.00 0.00 H new ATOM 1140 N ILE A 80 -11.080 -3.773 11.468 1.00 0.00 N ATOM 1141 CA ILE A 80 -9.865 -4.234 12.128 1.00 0.00 C ATOM 1142 C ILE A 80 -8.844 -3.109 12.249 1.00 0.00 C ATOM 1143 O ILE A 80 -8.231 -2.703 11.262 1.00 0.00 O ATOM 1144 CB ILE A 80 -9.224 -5.412 11.366 1.00 0.00 C ATOM 1145 CG1 ILE A 80 -10.277 -6.471 11.043 1.00 0.00 C ATOM 1146 CG2 ILE A 80 -8.089 -6.015 12.182 1.00 0.00 C ATOM 1147 CD1 ILE A 80 -10.946 -7.053 12.270 1.00 0.00 C ATOM 0 H ILE A 80 -11.187 -4.097 10.507 1.00 0.00 H new ATOM 0 HA ILE A 80 -10.154 -4.568 13.124 1.00 0.00 H new ATOM 0 HB ILE A 80 -8.812 -5.039 10.428 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -11.038 -6.030 10.399 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -9.809 -7.277 10.478 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -7.646 -6.845 11.632 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -7.329 -5.255 12.366 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -8.478 -6.377 13.134 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -11.681 -7.798 11.965 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -10.195 -7.523 12.905 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -11.444 -6.258 12.825 1.00 0.00 H new ATOM 1159 N ALA A 81 -8.667 -2.606 13.468 1.00 0.00 N ATOM 1160 CA ALA A 81 -7.720 -1.526 13.719 1.00 0.00 C ATOM 1161 C ALA A 81 -6.305 -2.066 13.899 1.00 0.00 C ATOM 1162 O ALA A 81 -6.063 -2.933 14.738 1.00 0.00 O ATOM 1163 CB ALA A 81 -8.144 -0.731 14.944 1.00 0.00 C ATOM 0 H ALA A 81 -9.167 -2.929 14.296 1.00 0.00 H new ATOM 0 HA ALA A 81 -7.719 -0.866 12.852 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -7.429 0.073 15.121 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -9.134 -0.306 14.777 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -8.173 -1.389 15.813 1.00 0.00 H new ATOM 1169 N TYR A 82 -5.375 -1.545 13.106 1.00 0.00 N ATOM 1170 CA TYR A 82 -3.981 -1.974 13.178 1.00 0.00 C ATOM 1171 C TYR A 82 -3.090 -0.844 13.683 1.00 0.00 C ATOM 1172 O TYR A 82 -2.143 -1.075 14.435 1.00 0.00 O ATOM 1173 CB TYR A 82 -3.499 -2.444 11.805 1.00 0.00 C ATOM 1174 CG TYR A 82 -4.178 -3.705 11.322 1.00 0.00 C ATOM 1175 CD1 TYR A 82 -3.911 -4.933 11.916 1.00 0.00 C ATOM 1176 CD2 TYR A 82 -5.086 -3.669 10.271 1.00 0.00 C ATOM 1177 CE1 TYR A 82 -4.530 -6.088 11.477 1.00 0.00 C ATOM 1178 CE2 TYR A 82 -5.710 -4.820 9.827 1.00 0.00 C ATOM 1179 CZ TYR A 82 -5.428 -6.026 10.433 1.00 0.00 C ATOM 1180 OH TYR A 82 -6.047 -7.173 9.993 1.00 0.00 O ATOM 0 H TYR A 82 -5.560 -0.826 12.407 1.00 0.00 H new ATOM 0 HA TYR A 82 -3.918 -2.804 13.881 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -3.669 -1.649 11.078 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -2.423 -2.614 11.846 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -3.208 -4.985 12.734 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -5.308 -2.726 9.793 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -4.311 -7.034 11.949 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -6.415 -4.775 9.010 1.00 0.00 H new ATOM 0 HH TYR A 82 -5.932 -7.883 10.659 1.00 0.00 H new ATOM 1190 N PHE A 83 -3.399 0.380 13.265 1.00 0.00 N ATOM 1191 CA PHE A 83 -2.627 1.547 13.675 1.00 0.00 C ATOM 1192 C PHE A 83 -3.506 2.793 13.720 1.00 0.00 C ATOM 1193 O PHE A 83 -4.706 2.726 13.454 1.00 0.00 O ATOM 1194 CB PHE A 83 -1.454 1.771 12.718 1.00 0.00 C ATOM 1195 CG PHE A 83 -1.830 1.654 11.268 1.00 0.00 C ATOM 1196 CD1 PHE A 83 -2.059 0.412 10.697 1.00 0.00 C ATOM 1197 CD2 PHE A 83 -1.952 2.785 10.476 1.00 0.00 C ATOM 1198 CE1 PHE A 83 -2.404 0.301 9.364 1.00 0.00 C ATOM 1199 CE2 PHE A 83 -2.297 2.679 9.143 1.00 0.00 C ATOM 1200 CZ PHE A 83 -2.524 1.436 8.586 1.00 0.00 C ATOM 0 H PHE A 83 -4.179 0.589 12.642 1.00 0.00 H new ATOM 0 HA PHE A 83 -2.240 1.361 14.677 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -1.034 2.761 12.897 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -0.670 1.047 12.941 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -1.967 -0.479 11.301 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -1.775 3.760 10.906 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -2.580 -0.672 8.930 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -2.389 3.568 8.536 1.00 0.00 H new ATOM 0 HZ PHE A 83 -2.795 1.351 7.544 1.00 0.00 H new ATOM 1210 N GLU A 84 -2.901 3.927 14.057 1.00 0.00 N ATOM 1211 CA GLU A 84 -3.630 5.188 14.136 1.00 0.00 C ATOM 1212 C GLU A 84 -3.119 6.178 13.094 1.00 0.00 C ATOM 1213 O GLU A 84 -1.918 6.264 12.841 1.00 0.00 O ATOM 1214 CB GLU A 84 -3.499 5.791 15.536 1.00 0.00 C ATOM 1215 CG GLU A 84 -4.260 7.096 15.709 1.00 0.00 C ATOM 1216 CD GLU A 84 -3.792 7.890 16.914 1.00 0.00 C ATOM 1217 OE1 GLU A 84 -2.641 7.679 17.353 1.00 0.00 O ATOM 1218 OE2 GLU A 84 -4.575 8.721 17.417 1.00 0.00 O ATOM 0 H GLU A 84 -1.908 3.999 14.280 1.00 0.00 H new ATOM 0 HA GLU A 84 -4.681 4.984 13.933 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -3.860 5.069 16.269 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -2.444 5.963 15.751 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -4.142 7.703 14.811 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -5.324 6.881 15.811 1.00 0.00 H new ATOM 1225 N CYS A 85 -4.041 6.924 12.494 1.00 0.00 N ATOM 1226 CA CYS A 85 -3.685 7.910 11.480 1.00 0.00 C ATOM 1227 C CYS A 85 -4.920 8.671 11.007 1.00 0.00 C ATOM 1228 O CYS A 85 -6.022 8.462 11.514 1.00 0.00 O ATOM 1229 CB CYS A 85 -3.003 7.230 10.292 1.00 0.00 C ATOM 1230 SG CYS A 85 -3.976 5.905 9.540 1.00 0.00 S ATOM 0 H CYS A 85 -5.040 6.865 12.692 1.00 0.00 H new ATOM 0 HA CYS A 85 -2.991 8.621 11.928 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -2.785 7.982 9.533 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -2.047 6.822 10.620 1.00 0.00 H new ATOM 0 HG CYS A 85 -3.323 4.784 9.626 1.00 0.00 H new ATOM 1236 N LYS A 86 -4.728 9.554 10.034 1.00 0.00 N ATOM 1237 CA LYS A 86 -5.826 10.348 9.493 1.00 0.00 C ATOM 1238 C LYS A 86 -6.830 9.462 8.761 1.00 0.00 C ATOM 1239 O LYS A 86 -6.699 8.238 8.747 1.00 0.00 O ATOM 1240 CB LYS A 86 -5.290 11.422 8.547 1.00 0.00 C ATOM 1241 CG LYS A 86 -4.946 12.728 9.242 1.00 0.00 C ATOM 1242 CD LYS A 86 -3.657 12.613 10.040 1.00 0.00 C ATOM 1243 CE LYS A 86 -3.250 13.949 10.638 1.00 0.00 C ATOM 1244 NZ LYS A 86 -1.775 14.152 10.594 1.00 0.00 N ATOM 0 H LYS A 86 -3.822 9.739 9.603 1.00 0.00 H new ATOM 0 HA LYS A 86 -6.336 10.831 10.326 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -4.400 11.041 8.046 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -6.033 11.616 7.773 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -4.846 13.521 8.500 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -5.762 13.014 9.906 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -3.786 11.881 10.837 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -2.860 12.245 9.394 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -3.744 14.755 10.095 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -3.593 14.004 11.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -1.539 15.075 11.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -1.304 13.398 11.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -1.450 14.126 9.606 1.00 0.00 H new ATOM 1258 N GLU A 87 -7.833 10.090 8.157 1.00 0.00 N ATOM 1259 CA GLU A 87 -8.862 9.361 7.425 1.00 0.00 C ATOM 1260 C GLU A 87 -8.285 8.695 6.179 1.00 0.00 C ATOM 1261 O GLU A 87 -8.546 7.521 5.914 1.00 0.00 O ATOM 1262 CB GLU A 87 -10.000 10.303 7.031 1.00 0.00 C ATOM 1263 CG GLU A 87 -11.368 9.642 7.041 1.00 0.00 C ATOM 1264 CD GLU A 87 -12.151 9.941 8.305 1.00 0.00 C ATOM 1265 OE1 GLU A 87 -11.516 10.186 9.352 1.00 0.00 O ATOM 1266 OE2 GLU A 87 -13.399 9.929 8.247 1.00 0.00 O ATOM 0 H GLU A 87 -7.955 11.103 8.160 1.00 0.00 H new ATOM 0 HA GLU A 87 -9.251 8.582 8.081 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -10.011 11.152 7.715 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -9.804 10.699 6.034 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -11.938 9.982 6.176 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -11.247 8.563 6.939 1.00 0.00 H new ATOM 1273 N LYS A 88 -7.502 9.451 5.414 1.00 0.00 N ATOM 1274 CA LYS A 88 -6.895 8.929 4.195 1.00 0.00 C ATOM 1275 C LYS A 88 -5.393 9.201 4.164 1.00 0.00 C ATOM 1276 O LYS A 88 -4.893 9.882 3.268 1.00 0.00 O ATOM 1277 CB LYS A 88 -7.565 9.548 2.965 1.00 0.00 C ATOM 1278 CG LYS A 88 -9.081 9.436 2.979 1.00 0.00 C ATOM 1279 CD LYS A 88 -9.742 10.748 2.584 1.00 0.00 C ATOM 1280 CE LYS A 88 -9.724 11.747 3.729 1.00 0.00 C ATOM 1281 NZ LYS A 88 -9.694 13.153 3.240 1.00 0.00 N ATOM 0 H LYS A 88 -7.274 10.424 5.617 1.00 0.00 H new ATOM 0 HA LYS A 88 -7.044 7.849 4.181 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -7.287 10.600 2.901 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -7.181 9.061 2.068 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -9.395 8.649 2.294 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -9.416 9.144 3.974 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -9.226 11.171 1.722 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -10.772 10.561 2.279 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -10.605 11.599 4.354 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -8.853 11.563 4.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -9.682 13.803 4.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -8.840 13.302 2.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -10.538 13.337 2.661 1.00 0.00 H new ATOM 1295 N HIS A 89 -4.677 8.662 5.146 1.00 0.00 N ATOM 1296 CA HIS A 89 -3.231 8.842 5.225 1.00 0.00 C ATOM 1297 C HIS A 89 -2.516 7.496 5.186 1.00 0.00 C ATOM 1298 O HIS A 89 -1.506 7.339 4.499 1.00 0.00 O ATOM 1299 CB HIS A 89 -2.858 9.594 6.505 1.00 0.00 C ATOM 1300 CG HIS A 89 -2.673 11.065 6.301 1.00 0.00 C ATOM 1301 ND1 HIS A 89 -1.552 11.760 6.696 1.00 0.00 N ATOM 1302 CD2 HIS A 89 -3.498 11.979 5.727 1.00 0.00 C ATOM 1303 CE1 HIS A 89 -1.727 13.046 6.359 1.00 0.00 C ATOM 1304 NE2 HIS A 89 -2.891 13.231 5.769 1.00 0.00 N ATOM 0 H HIS A 89 -5.074 8.098 5.897 1.00 0.00 H new ATOM 0 HA HIS A 89 -2.914 9.429 4.363 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -3.636 9.434 7.251 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -1.938 9.173 6.909 1.00 0.00 H new ATOM 0 HD1 HIS A 89 -0.734 11.367 7.162 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -4.470 11.768 5.305 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -1.007 13.829 6.547 1.00 0.00 H new ATOM 1312 N GLY A 90 -3.046 6.528 5.926 1.00 0.00 N ATOM 1313 CA GLY A 90 -2.445 5.208 5.962 1.00 0.00 C ATOM 1314 C GLY A 90 -2.822 4.369 4.757 1.00 0.00 C ATOM 1315 O GLY A 90 -3.916 4.511 4.210 1.00 0.00 O ATOM 0 H GLY A 90 -3.881 6.634 6.502 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -1.360 5.307 6.008 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -2.757 4.694 6.871 1.00 0.00 H new ATOM 1319 N ILE A 91 -1.915 3.492 4.343 1.00 0.00 N ATOM 1320 CA ILE A 91 -2.157 2.627 3.195 1.00 0.00 C ATOM 1321 C ILE A 91 -1.509 1.260 3.392 1.00 0.00 C ATOM 1322 O ILE A 91 -0.355 1.164 3.812 1.00 0.00 O ATOM 1323 CB ILE A 91 -1.625 3.260 1.893 1.00 0.00 C ATOM 1324 CG1 ILE A 91 -1.973 2.383 0.689 1.00 0.00 C ATOM 1325 CG2 ILE A 91 -0.121 3.476 1.982 1.00 0.00 C ATOM 1326 CD1 ILE A 91 -2.188 3.167 -0.588 1.00 0.00 C ATOM 0 H ILE A 91 -1.005 3.361 4.785 1.00 0.00 H new ATOM 0 HA ILE A 91 -3.237 2.503 3.111 1.00 0.00 H new ATOM 0 HB ILE A 91 -2.104 4.230 1.760 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -1.172 1.661 0.532 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -2.875 1.814 0.913 1.00 0.00 H new ATOM 0 HG21 ILE A 91 0.238 3.923 1.055 1.00 0.00 H new ATOM 0 HG22 ILE A 91 0.102 4.141 2.816 1.00 0.00 H new ATOM 0 HG23 ILE A 91 0.375 2.518 2.139 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -2.431 2.481 -1.400 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -3.009 3.870 -0.449 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -1.279 3.715 -0.836 1.00 0.00 H new ATOM 1338 N PHE A 92 -2.258 0.205 3.086 1.00 0.00 N ATOM 1339 CA PHE A 92 -1.755 -1.156 3.229 1.00 0.00 C ATOM 1340 C PHE A 92 -1.050 -1.613 1.956 1.00 0.00 C ATOM 1341 O PHE A 92 -1.696 -1.971 0.972 1.00 0.00 O ATOM 1342 CB PHE A 92 -2.901 -2.113 3.562 1.00 0.00 C ATOM 1343 CG PHE A 92 -3.496 -1.886 4.924 1.00 0.00 C ATOM 1344 CD1 PHE A 92 -2.963 -2.511 6.040 1.00 0.00 C ATOM 1345 CD2 PHE A 92 -4.589 -1.050 5.086 1.00 0.00 C ATOM 1346 CE1 PHE A 92 -3.509 -2.305 7.292 1.00 0.00 C ATOM 1347 CE2 PHE A 92 -5.139 -0.841 6.335 1.00 0.00 C ATOM 1348 CZ PHE A 92 -4.598 -1.469 7.441 1.00 0.00 C ATOM 0 H PHE A 92 -3.215 0.267 2.738 1.00 0.00 H new ATOM 0 HA PHE A 92 -1.033 -1.165 4.046 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -3.683 -2.006 2.810 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -2.537 -3.139 3.500 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -2.112 -3.166 5.930 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -5.016 -0.556 4.225 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -3.084 -2.798 8.154 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -5.991 -0.187 6.448 1.00 0.00 H new ATOM 0 HZ PHE A 92 -5.026 -1.306 8.419 1.00 0.00 H new ATOM 1358 N ALA A 93 0.278 -1.599 1.985 1.00 0.00 N ATOM 1359 CA ALA A 93 1.070 -2.013 0.833 1.00 0.00 C ATOM 1360 C ALA A 93 1.822 -3.311 1.123 1.00 0.00 C ATOM 1361 O ALA A 93 2.314 -3.516 2.234 1.00 0.00 O ATOM 1362 CB ALA A 93 2.045 -0.914 0.442 1.00 0.00 C ATOM 0 H ALA A 93 0.828 -1.306 2.792 1.00 0.00 H new ATOM 0 HA ALA A 93 0.390 -2.194 0.001 1.00 0.00 H new ATOM 0 HB1 ALA A 93 2.630 -1.236 -0.419 1.00 0.00 H new ATOM 0 HB2 ALA A 93 1.491 -0.010 0.187 1.00 0.00 H new ATOM 0 HB3 ALA A 93 2.714 -0.707 1.278 1.00 0.00 H new ATOM 1368 N PRO A 94 1.924 -4.209 0.127 1.00 0.00 N ATOM 1369 CA PRO A 94 2.623 -5.489 0.289 1.00 0.00 C ATOM 1370 C PRO A 94 4.048 -5.308 0.806 1.00 0.00 C ATOM 1371 O PRO A 94 4.612 -4.217 0.723 1.00 0.00 O ATOM 1372 CB PRO A 94 2.637 -6.073 -1.125 1.00 0.00 C ATOM 1373 CG PRO A 94 1.484 -5.430 -1.814 1.00 0.00 C ATOM 1374 CD PRO A 94 1.370 -4.050 -1.230 1.00 0.00 C ATOM 0 HA PRO A 94 2.132 -6.130 1.021 1.00 0.00 H new ATOM 0 HB2 PRO A 94 3.575 -5.853 -1.635 1.00 0.00 H new ATOM 0 HB3 PRO A 94 2.532 -7.158 -1.106 1.00 0.00 H new ATOM 0 HG2 PRO A 94 1.648 -5.386 -2.891 1.00 0.00 H new ATOM 0 HG3 PRO A 94 0.568 -5.998 -1.654 1.00 0.00 H new ATOM 0 HD2 PRO A 94 1.933 -3.320 -1.811 1.00 0.00 H new ATOM 0 HD3 PRO A 94 0.335 -3.708 -1.205 1.00 0.00 H new ATOM 1382 N PRO A 95 4.651 -6.381 1.345 1.00 0.00 N ATOM 1383 CA PRO A 95 6.019 -6.334 1.874 1.00 0.00 C ATOM 1384 C PRO A 95 7.041 -5.985 0.798 1.00 0.00 C ATOM 1385 O PRO A 95 8.026 -5.296 1.063 1.00 0.00 O ATOM 1386 CB PRO A 95 6.257 -7.756 2.399 1.00 0.00 C ATOM 1387 CG PRO A 95 5.248 -8.602 1.700 1.00 0.00 C ATOM 1388 CD PRO A 95 4.054 -7.720 1.481 1.00 0.00 C ATOM 0 HA PRO A 95 6.132 -5.564 2.638 1.00 0.00 H new ATOM 0 HB2 PRO A 95 7.271 -8.092 2.182 1.00 0.00 H new ATOM 0 HB3 PRO A 95 6.130 -7.803 3.481 1.00 0.00 H new ATOM 0 HG2 PRO A 95 5.638 -8.973 0.753 1.00 0.00 H new ATOM 0 HG3 PRO A 95 4.985 -9.473 2.300 1.00 0.00 H new ATOM 0 HD2 PRO A 95 3.499 -8.007 0.588 1.00 0.00 H new ATOM 0 HD3 PRO A 95 3.358 -7.768 2.318 1.00 0.00 H new ATOM 1396 N GLN A 96 6.798 -6.463 -0.418 1.00 0.00 N ATOM 1397 CA GLN A 96 7.697 -6.200 -1.537 1.00 0.00 C ATOM 1398 C GLN A 96 7.785 -4.705 -1.826 1.00 0.00 C ATOM 1399 O GLN A 96 8.780 -4.228 -2.372 1.00 0.00 O ATOM 1400 CB GLN A 96 7.222 -6.946 -2.785 1.00 0.00 C ATOM 1401 CG GLN A 96 5.765 -6.690 -3.130 1.00 0.00 C ATOM 1402 CD GLN A 96 5.537 -6.537 -4.621 1.00 0.00 C ATOM 1403 OE1 GLN A 96 6.026 -5.594 -5.243 1.00 0.00 O ATOM 1404 NE2 GLN A 96 4.790 -7.468 -5.204 1.00 0.00 N ATOM 0 H GLN A 96 5.987 -7.034 -0.654 1.00 0.00 H new ATOM 0 HA GLN A 96 8.690 -6.557 -1.264 1.00 0.00 H new ATOM 0 HB2 GLN A 96 7.844 -6.654 -3.631 1.00 0.00 H new ATOM 0 HB3 GLN A 96 7.369 -8.016 -2.636 1.00 0.00 H new ATOM 0 HG2 GLN A 96 5.157 -7.514 -2.756 1.00 0.00 H new ATOM 0 HG3 GLN A 96 5.428 -5.787 -2.620 1.00 0.00 H new ATOM 0 HE21 GLN A 96 4.404 -8.233 -4.650 1.00 0.00 H new ATOM 0 HE22 GLN A 96 4.602 -7.418 -6.205 1.00 0.00 H new ATOM 1413 N LYS A 97 6.740 -3.970 -1.459 1.00 0.00 N ATOM 1414 CA LYS A 97 6.703 -2.529 -1.681 1.00 0.00 C ATOM 1415 C LYS A 97 7.120 -1.771 -0.424 1.00 0.00 C ATOM 1416 O LYS A 97 6.634 -0.670 -0.162 1.00 0.00 O ATOM 1417 CB LYS A 97 5.300 -2.093 -2.109 1.00 0.00 C ATOM 1418 CG LYS A 97 4.845 -2.712 -3.420 1.00 0.00 C ATOM 1419 CD LYS A 97 5.433 -1.980 -4.616 1.00 0.00 C ATOM 1420 CE LYS A 97 4.453 -0.965 -5.184 1.00 0.00 C ATOM 1421 NZ LYS A 97 4.653 0.390 -4.599 1.00 0.00 N ATOM 0 H LYS A 97 5.908 -4.349 -1.007 1.00 0.00 H new ATOM 0 HA LYS A 97 7.410 -2.293 -2.477 1.00 0.00 H new ATOM 0 HB2 LYS A 97 4.591 -2.359 -1.325 1.00 0.00 H new ATOM 0 HB3 LYS A 97 5.279 -1.007 -2.203 1.00 0.00 H new ATOM 0 HG2 LYS A 97 5.143 -3.760 -3.451 1.00 0.00 H new ATOM 0 HG3 LYS A 97 3.757 -2.688 -3.477 1.00 0.00 H new ATOM 0 HD2 LYS A 97 6.351 -1.474 -4.319 1.00 0.00 H new ATOM 0 HD3 LYS A 97 5.702 -2.700 -5.389 1.00 0.00 H new ATOM 0 HE2 LYS A 97 4.571 -0.914 -6.266 1.00 0.00 H new ATOM 0 HE3 LYS A 97 3.433 -1.297 -4.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 3.762 0.721 -4.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 5.388 0.346 -3.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 4.949 1.050 -5.346 1.00 0.00 H new ATOM 1435 N ILE A 98 8.024 -2.365 0.348 1.00 0.00 N ATOM 1436 CA ILE A 98 8.506 -1.744 1.576 1.00 0.00 C ATOM 1437 C ILE A 98 10.025 -1.612 1.566 1.00 0.00 C ATOM 1438 O ILE A 98 10.746 -2.610 1.555 1.00 0.00 O ATOM 1439 CB ILE A 98 8.081 -2.551 2.818 1.00 0.00 C ATOM 1440 CG1 ILE A 98 6.585 -2.866 2.761 1.00 0.00 C ATOM 1441 CG2 ILE A 98 8.418 -1.784 4.089 1.00 0.00 C ATOM 1442 CD1 ILE A 98 5.707 -1.634 2.771 1.00 0.00 C ATOM 0 H ILE A 98 8.437 -3.275 0.145 1.00 0.00 H new ATOM 0 HA ILE A 98 8.058 -0.752 1.625 1.00 0.00 H new ATOM 0 HB ILE A 98 8.631 -3.492 2.828 1.00 0.00 H new ATOM 0 HG12 ILE A 98 6.378 -3.443 1.860 1.00 0.00 H new ATOM 0 HG13 ILE A 98 6.322 -3.496 3.610 1.00 0.00 H new ATOM 0 HG21 ILE A 98 8.112 -2.367 4.958 1.00 0.00 H new ATOM 0 HG22 ILE A 98 9.492 -1.605 4.132 1.00 0.00 H new ATOM 0 HG23 ILE A 98 7.891 -0.830 4.088 1.00 0.00 H new ATOM 0 HD11 ILE A 98 4.660 -1.933 2.729 1.00 0.00 H new ATOM 0 HD12 ILE A 98 5.886 -1.067 3.685 1.00 0.00 H new ATOM 0 HD13 ILE A 98 5.942 -1.013 1.907 1.00 0.00 H new ATOM 1454 N SER A 99 10.505 -0.372 1.572 1.00 0.00 N ATOM 1455 CA SER A 99 11.940 -0.109 1.563 1.00 0.00 C ATOM 1456 C SER A 99 12.307 0.930 2.618 1.00 0.00 C ATOM 1457 O SER A 99 11.434 1.518 3.256 1.00 0.00 O ATOM 1458 CB SER A 99 12.383 0.373 0.181 1.00 0.00 C ATOM 1459 OG SER A 99 12.264 -0.661 -0.782 1.00 0.00 O ATOM 0 H SER A 99 9.922 0.465 1.583 1.00 0.00 H new ATOM 0 HA SER A 99 12.457 -1.039 1.798 1.00 0.00 H new ATOM 0 HB2 SER A 99 11.777 1.227 -0.121 1.00 0.00 H new ATOM 0 HB3 SER A 99 13.417 0.715 0.226 1.00 0.00 H new ATOM 0 HG SER A 99 12.552 -0.327 -1.657 1.00 0.00 H new ATOM 1465 N HIS A 100 13.605 1.152 2.796 1.00 0.00 N ATOM 1466 CA HIS A 100 14.089 2.121 3.774 1.00 0.00 C ATOM 1467 C HIS A 100 14.273 3.493 3.135 1.00 0.00 C ATOM 1468 O HIS A 100 14.909 3.621 2.088 1.00 0.00 O ATOM 1469 CB HIS A 100 15.409 1.647 4.382 1.00 0.00 C ATOM 1470 CG HIS A 100 15.237 0.619 5.458 1.00 0.00 C ATOM 1471 ND1 HIS A 100 15.205 -0.737 5.226 1.00 0.00 N ATOM 1472 CD2 HIS A 100 15.087 0.773 6.798 1.00 0.00 C ATOM 1473 CE1 HIS A 100 15.039 -1.352 6.404 1.00 0.00 C ATOM 1474 NE2 HIS A 100 14.962 -0.480 7.391 1.00 0.00 N ATOM 0 H HIS A 100 14.341 0.674 2.276 1.00 0.00 H new ATOM 0 HA HIS A 100 13.343 2.206 4.564 1.00 0.00 H new ATOM 0 HB2 HIS A 100 16.036 1.233 3.592 1.00 0.00 H new ATOM 0 HB3 HIS A 100 15.940 2.506 4.793 1.00 0.00 H new ATOM 0 HD2 HIS A 100 15.068 1.718 7.321 1.00 0.00 H new ATOM 0 HE1 HIS A 100 14.976 -2.423 6.530 1.00 0.00 H new ATOM 0 HE2 HIS A 100 14.837 -0.682 8.383 1.00 0.00 H new ATOM 1482 N ILE A 101 13.711 4.517 3.770 1.00 0.00 N ATOM 1483 CA ILE A 101 13.814 5.880 3.262 1.00 0.00 C ATOM 1484 C ILE A 101 15.212 6.451 3.495 1.00 0.00 C ATOM 1485 O ILE A 101 15.708 6.448 4.622 1.00 0.00 O ATOM 1486 CB ILE A 101 12.779 6.806 3.928 1.00 0.00 C ATOM 1487 CG1 ILE A 101 11.388 6.171 3.881 1.00 0.00 C ATOM 1488 CG2 ILE A 101 12.771 8.169 3.250 1.00 0.00 C ATOM 1489 CD1 ILE A 101 10.321 7.003 4.560 1.00 0.00 C ATOM 0 H ILE A 101 13.180 4.429 4.636 1.00 0.00 H new ATOM 0 HA ILE A 101 13.616 5.834 2.191 1.00 0.00 H new ATOM 0 HB ILE A 101 13.058 6.945 4.973 1.00 0.00 H new ATOM 0 HG12 ILE A 101 11.105 6.011 2.841 1.00 0.00 H new ATOM 0 HG13 ILE A 101 11.429 5.190 4.355 1.00 0.00 H new ATOM 0 HG21 ILE A 101 12.034 8.811 3.733 1.00 0.00 H new ATOM 0 HG22 ILE A 101 13.758 8.623 3.334 1.00 0.00 H new ATOM 0 HG23 ILE A 101 12.515 8.050 2.197 1.00 0.00 H new ATOM 0 HD11 ILE A 101 9.361 6.492 4.488 1.00 0.00 H new ATOM 0 HD12 ILE A 101 10.581 7.142 5.609 1.00 0.00 H new ATOM 0 HD13 ILE A 101 10.252 7.975 4.072 1.00 0.00 H new ATOM 1501 N PRO A 102 15.869 6.955 2.434 1.00 0.00 N ATOM 1502 CA PRO A 102 17.214 7.532 2.544 1.00 0.00 C ATOM 1503 C PRO A 102 17.283 8.640 3.587 1.00 0.00 C ATOM 1504 O PRO A 102 16.287 9.310 3.862 1.00 0.00 O ATOM 1505 CB PRO A 102 17.479 8.099 1.145 1.00 0.00 C ATOM 1506 CG PRO A 102 16.582 7.327 0.242 1.00 0.00 C ATOM 1507 CD PRO A 102 15.358 7.006 1.052 1.00 0.00 C ATOM 0 HA PRO A 102 17.948 6.792 2.863 1.00 0.00 H new ATOM 0 HB2 PRO A 102 17.259 9.166 1.103 1.00 0.00 H new ATOM 0 HB3 PRO A 102 18.524 7.978 0.861 1.00 0.00 H new ATOM 0 HG2 PRO A 102 16.323 7.909 -0.642 1.00 0.00 H new ATOM 0 HG3 PRO A 102 17.069 6.416 -0.107 1.00 0.00 H new ATOM 0 HD2 PRO A 102 14.588 7.768 0.936 1.00 0.00 H new ATOM 0 HD3 PRO A 102 14.915 6.057 0.752 1.00 0.00 H new ATOM 1515 N GLU A 103 18.464 8.830 4.165 1.00 0.00 N ATOM 1516 CA GLU A 103 18.663 9.860 5.178 1.00 0.00 C ATOM 1517 C GLU A 103 18.705 11.248 4.543 1.00 0.00 C ATOM 1518 O GLU A 103 18.362 12.243 5.182 1.00 0.00 O ATOM 1519 CB GLU A 103 19.956 9.599 5.954 1.00 0.00 C ATOM 1520 CG GLU A 103 19.729 8.959 7.314 1.00 0.00 C ATOM 1521 CD GLU A 103 20.756 7.889 7.633 1.00 0.00 C ATOM 1522 OE1 GLU A 103 21.960 8.138 7.414 1.00 0.00 O ATOM 1523 OE2 GLU A 103 20.355 6.803 8.101 1.00 0.00 O ATOM 0 H GLU A 103 19.298 8.284 3.949 1.00 0.00 H new ATOM 0 HA GLU A 103 17.821 9.823 5.869 1.00 0.00 H new ATOM 0 HB2 GLU A 103 20.602 8.952 5.360 1.00 0.00 H new ATOM 0 HB3 GLU A 103 20.486 10.542 6.089 1.00 0.00 H new ATOM 0 HG2 GLU A 103 19.761 9.730 8.084 1.00 0.00 H new ATOM 0 HG3 GLU A 103 18.732 8.521 7.343 1.00 0.00 H new ATOM 1530 N ASN A 104 19.127 11.308 3.285 1.00 0.00 N ATOM 1531 CA ASN A 104 19.214 12.574 2.566 1.00 0.00 C ATOM 1532 C ASN A 104 17.826 13.097 2.207 1.00 0.00 C ATOM 1533 O ASN A 104 17.624 14.304 2.074 1.00 0.00 O ATOM 1534 CB ASN A 104 20.051 12.406 1.296 1.00 0.00 C ATOM 1535 CG ASN A 104 21.532 12.277 1.593 1.00 0.00 C ATOM 1536 OD1 ASN A 104 22.069 12.982 2.448 1.00 0.00 O ATOM 1537 ND2 ASN A 104 22.201 11.375 0.885 1.00 0.00 N ATOM 0 H ASN A 104 19.414 10.494 2.741 1.00 0.00 H new ATOM 0 HA ASN A 104 19.697 13.300 3.220 1.00 0.00 H new ATOM 0 HB2 ASN A 104 19.713 11.522 0.756 1.00 0.00 H new ATOM 0 HB3 ASN A 104 19.888 13.262 0.641 1.00 0.00 H new ATOM 0 HD21 ASN A 104 23.201 11.245 1.040 1.00 0.00 H new ATOM 0 HD22 ASN A 104 21.715 10.812 0.186 1.00 0.00 H new ATOM 1544 N PHE A 105 16.873 12.183 2.050 1.00 0.00 N ATOM 1545 CA PHE A 105 15.505 12.554 1.704 1.00 0.00 C ATOM 1546 C PHE A 105 14.933 13.539 2.717 1.00 0.00 C ATOM 1547 O PHE A 105 14.551 14.656 2.369 1.00 0.00 O ATOM 1548 CB PHE A 105 14.619 11.310 1.629 1.00 0.00 C ATOM 1549 CG PHE A 105 13.375 11.507 0.811 1.00 0.00 C ATOM 1550 CD1 PHE A 105 13.441 11.554 -0.573 1.00 0.00 C ATOM 1551 CD2 PHE A 105 12.142 11.645 1.424 1.00 0.00 C ATOM 1552 CE1 PHE A 105 12.298 11.735 -1.329 1.00 0.00 C ATOM 1553 CE2 PHE A 105 10.995 11.827 0.674 1.00 0.00 C ATOM 1554 CZ PHE A 105 11.074 11.873 -0.704 1.00 0.00 C ATOM 0 H PHE A 105 17.023 11.180 2.157 1.00 0.00 H new ATOM 0 HA PHE A 105 15.525 13.037 0.727 1.00 0.00 H new ATOM 0 HB2 PHE A 105 15.196 10.488 1.205 1.00 0.00 H new ATOM 0 HB3 PHE A 105 14.337 11.014 2.639 1.00 0.00 H new ATOM 0 HD1 PHE A 105 14.396 11.448 -1.066 1.00 0.00 H new ATOM 0 HD2 PHE A 105 12.075 11.610 2.501 1.00 0.00 H new ATOM 0 HE1 PHE A 105 12.362 11.768 -2.407 1.00 0.00 H new ATOM 0 HE2 PHE A 105 10.039 11.933 1.165 1.00 0.00 H new ATOM 0 HZ PHE A 105 10.180 12.017 -1.292 1.00 0.00 H new ATOM 1564 N ASP A 106 14.880 13.114 3.971 1.00 0.00 N ATOM 1565 CA ASP A 106 14.357 13.952 5.044 1.00 0.00 C ATOM 1566 C ASP A 106 12.901 14.327 4.787 1.00 0.00 C ATOM 1567 O ASP A 106 12.605 15.427 4.321 1.00 0.00 O ATOM 1568 CB ASP A 106 15.202 15.220 5.187 1.00 0.00 C ATOM 1569 CG ASP A 106 16.455 14.991 6.009 1.00 0.00 C ATOM 1570 OD1 ASP A 106 17.473 14.556 5.433 1.00 0.00 O ATOM 1571 OD2 ASP A 106 16.417 15.246 7.232 1.00 0.00 O ATOM 0 H ASP A 106 15.193 12.191 4.273 1.00 0.00 H new ATOM 0 HA ASP A 106 14.407 13.381 5.971 1.00 0.00 H new ATOM 0 HB2 ASP A 106 15.481 15.581 4.197 1.00 0.00 H new ATOM 0 HB3 ASP A 106 14.603 16.002 5.654 1.00 0.00 H new ATOM 1576 N ASP A 107 11.995 13.404 5.094 1.00 0.00 N ATOM 1577 CA ASP A 107 10.569 13.637 4.897 1.00 0.00 C ATOM 1578 C ASP A 107 9.843 13.739 6.235 1.00 0.00 C ATOM 1579 O ASP A 107 8.847 14.452 6.360 1.00 0.00 O ATOM 1580 CB ASP A 107 9.957 12.515 4.057 1.00 0.00 C ATOM 1581 CG ASP A 107 10.174 11.147 4.673 1.00 0.00 C ATOM 1582 OD1 ASP A 107 9.373 10.757 5.550 1.00 0.00 O ATOM 1583 OD2 ASP A 107 11.144 10.465 4.280 1.00 0.00 O ATOM 0 H ASP A 107 12.223 12.488 5.480 1.00 0.00 H new ATOM 0 HA ASP A 107 10.452 14.583 4.368 1.00 0.00 H new ATOM 0 HB2 ASP A 107 8.888 12.693 3.942 1.00 0.00 H new ATOM 0 HB3 ASP A 107 10.393 12.534 3.058 1.00 0.00 H new ATOM 1588 N TYR A 108 10.347 13.020 7.232 1.00 0.00 N ATOM 1589 CA TYR A 108 9.745 13.028 8.562 1.00 0.00 C ATOM 1590 C TYR A 108 9.776 14.429 9.166 1.00 0.00 C ATOM 1591 O TYR A 108 10.687 14.770 9.920 1.00 0.00 O ATOM 1592 CB TYR A 108 10.477 12.048 9.481 1.00 0.00 C ATOM 1593 CG TYR A 108 9.659 11.610 10.675 1.00 0.00 C ATOM 1594 CD1 TYR A 108 9.334 12.507 11.685 1.00 0.00 C ATOM 1595 CD2 TYR A 108 9.212 10.301 10.792 1.00 0.00 C ATOM 1596 CE1 TYR A 108 8.588 12.111 12.779 1.00 0.00 C ATOM 1597 CE2 TYR A 108 8.463 9.897 11.882 1.00 0.00 C ATOM 1598 CZ TYR A 108 8.155 10.805 12.871 1.00 0.00 C ATOM 1599 OH TYR A 108 7.411 10.407 13.958 1.00 0.00 O ATOM 0 H TYR A 108 11.170 12.424 7.145 1.00 0.00 H new ATOM 0 HA TYR A 108 8.705 12.717 8.464 1.00 0.00 H new ATOM 0 HB2 TYR A 108 10.763 11.168 8.905 1.00 0.00 H new ATOM 0 HB3 TYR A 108 11.398 12.512 9.833 1.00 0.00 H new ATOM 0 HD1 TYR A 108 9.670 13.531 11.614 1.00 0.00 H new ATOM 0 HD2 TYR A 108 9.453 9.586 10.019 1.00 0.00 H new ATOM 0 HE1 TYR A 108 8.346 12.820 13.557 1.00 0.00 H new ATOM 0 HE2 TYR A 108 8.121 8.875 11.957 1.00 0.00 H new ATOM 0 HH TYR A 108 7.185 9.458 13.870 1.00 0.00 H new ATOM 1609 N VAL A 109 8.773 15.234 8.833 1.00 0.00 N ATOM 1610 CA VAL A 109 8.684 16.597 9.343 1.00 0.00 C ATOM 1611 C VAL A 109 7.729 16.675 10.530 1.00 0.00 C ATOM 1612 O VAL A 109 7.047 17.682 10.727 1.00 0.00 O ATOM 1613 CB VAL A 109 8.214 17.578 8.253 1.00 0.00 C ATOM 1614 CG1 VAL A 109 9.260 17.698 7.157 1.00 0.00 C ATOM 1615 CG2 VAL A 109 6.876 17.138 7.678 1.00 0.00 C ATOM 0 H VAL A 109 8.010 14.966 8.212 1.00 0.00 H new ATOM 0 HA VAL A 109 9.686 16.881 9.665 1.00 0.00 H new ATOM 0 HB VAL A 109 8.082 18.560 8.707 1.00 0.00 H new ATOM 0 HG11 VAL A 109 8.911 18.395 6.395 1.00 0.00 H new ATOM 0 HG12 VAL A 109 10.194 18.064 7.584 1.00 0.00 H new ATOM 0 HG13 VAL A 109 9.427 16.720 6.705 1.00 0.00 H new ATOM 0 HG21 VAL A 109 6.561 17.844 6.909 1.00 0.00 H new ATOM 0 HG22 VAL A 109 6.977 16.145 7.240 1.00 0.00 H new ATOM 0 HG23 VAL A 109 6.130 17.109 8.472 1.00 0.00 H new ATOM 1625 N ASP A 110 7.686 15.606 11.320 1.00 0.00 N ATOM 1626 CA ASP A 110 6.817 15.551 12.489 1.00 0.00 C ATOM 1627 C ASP A 110 5.348 15.636 12.084 1.00 0.00 C ATOM 1628 O ASP A 110 4.740 16.705 12.138 1.00 0.00 O ATOM 1629 CB ASP A 110 7.157 16.683 13.460 1.00 0.00 C ATOM 1630 CG ASP A 110 7.017 16.265 14.911 1.00 0.00 C ATOM 1631 OD1 ASP A 110 6.296 15.279 15.177 1.00 0.00 O ATOM 1632 OD2 ASP A 110 7.628 16.920 15.780 1.00 0.00 O ATOM 0 H ASP A 110 8.244 14.765 11.171 1.00 0.00 H new ATOM 0 HA ASP A 110 6.982 14.595 12.985 1.00 0.00 H new ATOM 0 HB2 ASP A 110 8.178 17.018 13.279 1.00 0.00 H new ATOM 0 HB3 ASP A 110 6.503 17.533 13.265 1.00 0.00 H new ATOM 1637 N ILE A 111 4.784 14.503 11.680 1.00 0.00 N ATOM 1638 CA ILE A 111 3.387 14.449 11.268 1.00 0.00 C ATOM 1639 C ILE A 111 2.631 13.371 12.038 1.00 0.00 C ATOM 1640 O ILE A 111 1.679 12.781 11.527 1.00 0.00 O ATOM 1641 CB ILE A 111 3.251 14.169 9.757 1.00 0.00 C ATOM 1642 CG1 ILE A 111 4.240 15.026 8.960 1.00 0.00 C ATOM 1643 CG2 ILE A 111 1.823 14.430 9.296 1.00 0.00 C ATOM 1644 CD1 ILE A 111 5.213 14.211 8.136 1.00 0.00 C ATOM 0 H ILE A 111 5.273 13.610 11.629 1.00 0.00 H new ATOM 0 HA ILE A 111 2.957 15.426 11.488 1.00 0.00 H new ATOM 0 HB ILE A 111 3.486 13.120 9.577 1.00 0.00 H new ATOM 0 HG12 ILE A 111 3.683 15.690 8.299 1.00 0.00 H new ATOM 0 HG13 ILE A 111 4.800 15.658 9.650 1.00 0.00 H new ATOM 0 HG21 ILE A 111 1.743 14.228 8.228 1.00 0.00 H new ATOM 0 HG22 ILE A 111 1.140 13.778 9.841 1.00 0.00 H new ATOM 0 HG23 ILE A 111 1.563 15.471 9.489 1.00 0.00 H new ATOM 0 HD11 ILE A 111 5.884 14.881 7.598 1.00 0.00 H new ATOM 0 HD12 ILE A 111 5.795 13.566 8.794 1.00 0.00 H new ATOM 0 HD13 ILE A 111 4.662 13.599 7.422 1.00 0.00 H new ATOM 1656 N ASN A 112 3.062 13.117 13.269 1.00 0.00 N ATOM 1657 CA ASN A 112 2.427 12.109 14.109 1.00 0.00 C ATOM 1658 C ASN A 112 1.742 12.753 15.310 1.00 0.00 C ATOM 1659 O ASN A 112 2.390 13.398 16.135 1.00 0.00 O ATOM 1660 CB ASN A 112 3.461 11.085 14.584 1.00 0.00 C ATOM 1661 CG ASN A 112 2.958 9.660 14.469 1.00 0.00 C ATOM 1662 OD1 ASN A 112 2.094 9.230 15.233 1.00 0.00 O ATOM 1663 ND2 ASN A 112 3.499 8.917 13.510 1.00 0.00 N ATOM 0 H ASN A 112 3.849 13.596 13.707 1.00 0.00 H new ATOM 0 HA ASN A 112 1.670 11.600 13.512 1.00 0.00 H new ATOM 0 HB2 ASN A 112 4.373 11.194 13.997 1.00 0.00 H new ATOM 0 HB3 ASN A 112 3.723 11.292 15.621 1.00 0.00 H new ATOM 0 HD21 ASN A 112 3.201 7.950 13.385 1.00 0.00 H new ATOM 0 HD22 ASN A 112 4.213 9.314 12.899 1.00 0.00 H new ATOM 1670 N GLU A 113 0.427 12.572 15.403 1.00 0.00 N ATOM 1671 CA GLU A 113 -0.348 13.134 16.502 1.00 0.00 C ATOM 1672 C GLU A 113 -0.286 14.659 16.489 1.00 0.00 C ATOM 1673 O GLU A 113 0.749 15.246 16.174 1.00 0.00 O ATOM 1674 CB GLU A 113 0.161 12.601 17.842 1.00 0.00 C ATOM 1675 CG GLU A 113 -0.510 11.308 18.277 1.00 0.00 C ATOM 1676 CD GLU A 113 -1.057 11.380 19.689 1.00 0.00 C ATOM 1677 OE1 GLU A 113 -1.688 12.402 20.031 1.00 0.00 O ATOM 1678 OE2 GLU A 113 -0.854 10.413 20.454 1.00 0.00 O ATOM 0 H GLU A 113 -0.123 12.040 14.729 1.00 0.00 H new ATOM 0 HA GLU A 113 -1.387 12.830 16.372 1.00 0.00 H new ATOM 0 HB2 GLU A 113 1.236 12.437 17.774 1.00 0.00 H new ATOM 0 HB3 GLU A 113 0.002 13.359 18.609 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -1.322 11.075 17.588 1.00 0.00 H new ATOM 0 HG3 GLU A 113 0.208 10.491 18.211 1.00 0.00 H new ATOM 1685 N ASP A 114 -1.401 15.295 16.835 1.00 0.00 N ATOM 1686 CA ASP A 114 -1.471 16.751 16.863 1.00 0.00 C ATOM 1687 C ASP A 114 -1.428 17.271 18.296 1.00 0.00 C ATOM 1688 O ASP A 114 -2.148 16.783 19.166 1.00 0.00 O ATOM 1689 CB ASP A 114 -2.748 17.234 16.173 1.00 0.00 C ATOM 1690 CG ASP A 114 -3.988 16.529 16.690 1.00 0.00 C ATOM 1691 OD1 ASP A 114 -4.189 15.347 16.340 1.00 0.00 O ATOM 1692 OD2 ASP A 114 -4.758 17.160 17.444 1.00 0.00 O ATOM 0 H ASP A 114 -2.267 14.825 17.099 1.00 0.00 H new ATOM 0 HA ASP A 114 -0.606 17.141 16.327 1.00 0.00 H new ATOM 0 HB2 ASP A 114 -2.855 18.308 16.324 1.00 0.00 H new ATOM 0 HB3 ASP A 114 -2.661 17.070 15.099 1.00 0.00 H new ATOM 1697 N GLU A 115 -0.578 18.266 18.533 1.00 0.00 N ATOM 1698 CA GLU A 115 -0.441 18.854 19.861 1.00 0.00 C ATOM 1699 C GLU A 115 -1.513 19.913 20.099 1.00 0.00 C ATOM 1700 O GLU A 115 -1.963 20.112 21.227 1.00 0.00 O ATOM 1701 CB GLU A 115 0.952 19.467 20.026 1.00 0.00 C ATOM 1702 CG GLU A 115 1.853 18.684 20.968 1.00 0.00 C ATOM 1703 CD GLU A 115 2.092 17.263 20.499 1.00 0.00 C ATOM 1704 OE1 GLU A 115 1.134 16.461 20.525 1.00 0.00 O ATOM 1705 OE2 GLU A 115 3.235 16.951 20.106 1.00 0.00 O ATOM 0 H GLU A 115 0.026 18.681 17.823 1.00 0.00 H new ATOM 0 HA GLU A 115 -0.571 18.063 20.600 1.00 0.00 H new ATOM 0 HB2 GLU A 115 1.430 19.531 19.048 1.00 0.00 H new ATOM 0 HB3 GLU A 115 0.850 20.486 20.398 1.00 0.00 H new ATOM 0 HG2 GLU A 115 2.810 19.198 21.061 1.00 0.00 H new ATOM 0 HG3 GLU A 115 1.404 18.664 21.961 1.00 0.00 H new ATOM 1712 N ASP A 116 -1.915 20.590 19.028 1.00 0.00 N ATOM 1713 CA ASP A 116 -2.934 21.630 19.120 1.00 0.00 C ATOM 1714 C ASP A 116 -4.333 21.027 19.054 1.00 0.00 C ATOM 1715 O ASP A 116 -4.882 20.826 17.970 1.00 0.00 O ATOM 1716 CB ASP A 116 -2.751 22.652 17.996 1.00 0.00 C ATOM 1717 CG ASP A 116 -3.055 24.067 18.446 1.00 0.00 C ATOM 1718 OD1 ASP A 116 -2.568 24.464 19.526 1.00 0.00 O ATOM 1719 OD2 ASP A 116 -3.779 24.778 17.719 1.00 0.00 O ATOM 0 H ASP A 116 -1.551 20.437 18.087 1.00 0.00 H new ATOM 0 HA ASP A 116 -2.820 22.133 20.080 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -1.726 22.603 17.628 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -3.402 22.391 17.162 1.00 0.00 H new ATOM 1724 N SER A 117 -4.905 20.743 20.219 1.00 0.00 N ATOM 1725 CA SER A 117 -6.241 20.164 20.293 1.00 0.00 C ATOM 1726 C SER A 117 -7.291 21.151 19.792 1.00 0.00 C ATOM 1727 O SER A 117 -8.299 20.756 19.207 1.00 0.00 O ATOM 1728 CB SER A 117 -6.561 19.748 21.731 1.00 0.00 C ATOM 1729 OG SER A 117 -7.934 19.427 21.875 1.00 0.00 O ATOM 0 H SER A 117 -4.464 20.904 21.125 1.00 0.00 H new ATOM 0 HA SER A 117 -6.263 19.282 19.653 1.00 0.00 H new ATOM 0 HB2 SER A 117 -5.952 18.888 22.008 1.00 0.00 H new ATOM 0 HB3 SER A 117 -6.300 20.557 22.414 1.00 0.00 H new ATOM 0 HG SER A 117 -8.113 19.163 22.802 1.00 0.00 H new ATOM 1735 N GLY A 118 -7.047 22.436 20.026 1.00 0.00 N ATOM 1736 CA GLY A 118 -7.978 23.460 19.591 1.00 0.00 C ATOM 1737 C GLY A 118 -7.284 24.636 18.931 1.00 0.00 C ATOM 1738 O GLY A 118 -6.126 24.528 18.528 1.00 0.00 O ATOM 0 H GLY A 118 -6.220 22.787 20.510 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -8.691 23.024 18.891 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -8.549 23.815 20.449 1.00 0.00 H new ATOM 1742 N PRO A 119 -7.971 25.784 18.806 1.00 0.00 N ATOM 1743 CA PRO A 119 -7.399 26.983 18.186 1.00 0.00 C ATOM 1744 C PRO A 119 -6.311 27.618 19.046 1.00 0.00 C ATOM 1745 O PRO A 119 -5.921 27.069 20.076 1.00 0.00 O ATOM 1746 CB PRO A 119 -8.598 27.925 18.059 1.00 0.00 C ATOM 1747 CG PRO A 119 -9.535 27.491 19.132 1.00 0.00 C ATOM 1748 CD PRO A 119 -9.357 26.003 19.259 1.00 0.00 C ATOM 0 HA PRO A 119 -6.915 26.758 17.236 1.00 0.00 H new ATOM 0 HB2 PRO A 119 -8.300 28.965 18.190 1.00 0.00 H new ATOM 0 HB3 PRO A 119 -9.060 27.848 17.075 1.00 0.00 H new ATOM 0 HG2 PRO A 119 -9.310 27.993 20.073 1.00 0.00 H new ATOM 0 HG3 PRO A 119 -10.565 27.741 18.876 1.00 0.00 H new ATOM 0 HD2 PRO A 119 -9.502 25.667 20.286 1.00 0.00 H new ATOM 0 HD3 PRO A 119 -10.072 25.459 18.642 1.00 0.00 H new ATOM 1756 N SER A 120 -5.826 28.778 18.615 1.00 0.00 N ATOM 1757 CA SER A 120 -4.783 29.488 19.346 1.00 0.00 C ATOM 1758 C SER A 120 -4.690 30.940 18.888 1.00 0.00 C ATOM 1759 O SER A 120 -5.415 31.365 17.989 1.00 0.00 O ATOM 1760 CB SER A 120 -3.433 28.794 19.156 1.00 0.00 C ATOM 1761 OG SER A 120 -3.185 27.866 20.197 1.00 0.00 O ATOM 0 H SER A 120 -6.138 29.246 17.764 1.00 0.00 H new ATOM 0 HA SER A 120 -5.044 29.475 20.404 1.00 0.00 H new ATOM 0 HB2 SER A 120 -3.417 28.280 18.195 1.00 0.00 H new ATOM 0 HB3 SER A 120 -2.638 29.539 19.132 1.00 0.00 H new ATOM 0 HG SER A 120 -4.015 27.396 20.421 1.00 0.00 H new ATOM 1767 N SER A 121 -3.791 31.696 19.510 1.00 0.00 N ATOM 1768 CA SER A 121 -3.602 33.101 19.166 1.00 0.00 C ATOM 1769 C SER A 121 -2.161 33.369 18.748 1.00 0.00 C ATOM 1770 O SER A 121 -1.908 34.073 17.770 1.00 0.00 O ATOM 1771 CB SER A 121 -3.977 33.992 20.352 1.00 0.00 C ATOM 1772 OG SER A 121 -5.358 33.891 20.650 1.00 0.00 O ATOM 0 H SER A 121 -3.182 31.359 20.255 1.00 0.00 H new ATOM 0 HA SER A 121 -4.254 33.335 18.324 1.00 0.00 H new ATOM 0 HB2 SER A 121 -3.392 33.705 21.226 1.00 0.00 H new ATOM 0 HB3 SER A 121 -3.726 35.028 20.126 1.00 0.00 H new ATOM 0 HG SER A 121 -5.571 34.469 21.412 1.00 0.00 H new ATOM 1778 N GLY A 122 -1.218 32.806 19.496 1.00 0.00 N ATOM 1779 CA GLY A 122 0.187 32.996 19.188 1.00 0.00 C ATOM 1780 C GLY A 122 0.974 31.703 19.246 1.00 0.00 C ATOM 1781 O GLY A 122 1.015 30.985 18.225 1.00 0.00 O ATOM 1782 OXT GLY A 122 1.550 31.405 20.314 1.00 0.00 O ATOM 0 H GLY A 122 -1.402 32.221 20.311 1.00 0.00 H new ATOM 0 HA2 GLY A 122 0.282 33.431 18.193 1.00 0.00 H new ATOM 0 HA3 GLY A 122 0.616 33.711 19.890 1.00 0.00 H new TER 1786 GLY A 122