USER MOD reduce.3.24.130724 H: found=0, std=0, add=806, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 802 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 51 LYS NZ :NH3+ 133:sc= -0.543 (180deg=-2.98!) USER MOD Set 1.2: A 53 GLN : amide:sc= -0.28 K(o=-0.82,f=-2.9) USER MOD Set 2.1: A 43 THR OG1 : rot -120:sc= 0.222 USER MOD Set 2.2: A 47 THR OG1 : rot -160:sc= 0.192 USER MOD Single : A 1 GLY N :NH3+ -122:sc= 0.0667 (180deg=0) USER MOD Single : A 5 ASN : amide:sc= -0.0837 X(o=-0.084,f=-0.084) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 46:sc= 0.0651 USER MOD Single : A 12 TYR OH : rot -60:sc= -1.8 USER MOD Single : A 17 LYS NZ :NH3+ 139:sc= -0.119 (180deg=-1.01) USER MOD Single : A 19 GLN : amide:sc= -0.26 X(o=-0.26,f=-0.1) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= -0.724 X(o=-0.72,f=-0.8) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -3.04! C(o=-3!,f=-5.2!) USER MOD Single : A 32 LYS NZ :NH3+ -116:sc= -0.367 (180deg=-2.06!) USER MOD Single : A 33 LYS NZ :NH3+ -162:sc= -0.133 (180deg=-0.52) USER MOD Single : A 41 GLN : amide:sc= -2.7! C(o=-2.7!,f=-4.8!) USER MOD Single : A 42 ASN : amide:sc= -0.122 K(o=-0.12,f=-1.3) USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 MET CE :methyl 154:sc= -4.65! (180deg=-7.21!) USER MOD Single : A 63 GLN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 64 LYS NZ :NH3+ -162:sc= -0.0161 (180deg=-0.174) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0.125 USER MOD Single : A 74 SER OG : rot 155:sc= -3.54! USER MOD Single : A 75 HIS : no HD1:sc= -0.0278 X(o=-0.028,f=0) USER MOD Single : A 78 LYS NZ :NH3+ 138:sc= 0.443 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -0.336 X(o=-0.34,f=-0.032) USER MOD Single : A 82 LYS NZ :NH3+ -107:sc= 0.391 (180deg=0) USER MOD Single : A 83 ASN : amide:sc= -0.0414 K(o=-0.041,f=-1.7) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 156:sc= -0.134 (180deg=-0.552) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc=-0.00828 K(o=-0.0083,f=-1) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -2.363 1.772 -7.941 1.00 64.13 N ATOM 2 CA GLY A 1 -1.005 1.897 -7.443 1.00 71.45 C ATOM 3 C GLY A 1 0.020 1.330 -8.406 1.00 33.22 C ATOM 4 O GLY A 1 -0.296 1.039 -9.559 1.00 51.31 O ATOM 0 H1 GLY A 1 -2.800 2.714 -7.996 1.00 64.13 H new ATOM 0 H2 GLY A 1 -2.347 1.341 -8.887 1.00 64.13 H new ATOM 0 H3 GLY A 1 -2.915 1.171 -7.296 1.00 64.13 H new ATOM 0 HA2 GLY A 1 -0.784 2.948 -7.259 1.00 71.45 H new ATOM 0 HA3 GLY A 1 -0.923 1.382 -6.486 1.00 71.45 H new ATOM 8 N ALA A 2 1.251 1.174 -7.932 1.00 24.54 N ATOM 9 CA ALA A 2 2.326 0.638 -8.758 1.00 72.41 C ATOM 10 C ALA A 2 2.621 -0.815 -8.400 1.00 62.04 C ATOM 11 O ALA A 2 3.492 -1.096 -7.578 1.00 44.11 O ATOM 12 CB ALA A 2 3.580 1.486 -8.608 1.00 61.31 C ATOM 0 H ALA A 2 1.529 1.411 -6.980 1.00 24.54 H new ATOM 0 HA ALA A 2 2.002 0.670 -9.798 1.00 72.41 H new ATOM 0 HB1 ALA A 2 4.374 1.074 -9.230 1.00 61.31 H new ATOM 0 HB2 ALA A 2 3.367 2.508 -8.921 1.00 61.31 H new ATOM 0 HB3 ALA A 2 3.898 1.484 -7.565 1.00 61.31 H new ATOM 18 N GLU A 3 1.889 -1.734 -9.023 1.00 2.30 N ATOM 19 CA GLU A 3 2.073 -3.158 -8.768 1.00 1.52 C ATOM 20 C GLU A 3 2.519 -3.884 -10.033 1.00 44.14 C ATOM 21 O GLU A 3 2.417 -3.351 -11.137 1.00 52.43 O ATOM 22 CB GLU A 3 0.776 -3.776 -8.242 1.00 52.24 C ATOM 23 CG GLU A 3 0.472 -3.418 -6.797 1.00 44.43 C ATOM 24 CD GLU A 3 -0.732 -4.161 -6.252 1.00 42.24 C ATOM 25 OE1 GLU A 3 -1.707 -4.346 -7.011 1.00 23.22 O ATOM 26 OE2 GLU A 3 -0.700 -4.557 -5.069 1.00 3.44 O ATOM 0 H GLU A 3 1.164 -1.518 -9.707 1.00 2.30 H new ATOM 0 HA GLU A 3 2.852 -3.268 -8.013 1.00 1.52 H new ATOM 0 HB2 GLU A 3 -0.053 -3.449 -8.870 1.00 52.24 H new ATOM 0 HB3 GLU A 3 0.837 -4.860 -8.333 1.00 52.24 H new ATOM 0 HG2 GLU A 3 1.342 -3.643 -6.180 1.00 44.43 H new ATOM 0 HG3 GLU A 3 0.296 -2.345 -6.722 1.00 44.43 H new ATOM 33 N GLY A 4 3.016 -5.106 -9.864 1.00 3.52 N ATOM 34 CA GLY A 4 3.472 -5.885 -11.000 1.00 32.43 C ATOM 35 C GLY A 4 4.079 -7.211 -10.586 1.00 63.34 C ATOM 36 O GLY A 4 3.374 -8.210 -10.454 1.00 32.32 O ATOM 0 H GLY A 4 3.111 -5.570 -8.961 1.00 3.52 H new ATOM 0 HA2 GLY A 4 2.634 -6.067 -11.672 1.00 32.43 H new ATOM 0 HA3 GLY A 4 4.210 -5.310 -11.559 1.00 32.43 H new ATOM 40 N ASN A 5 5.393 -7.221 -10.384 1.00 71.11 N ATOM 41 CA ASN A 5 6.096 -8.435 -9.986 1.00 33.32 C ATOM 42 C ASN A 5 5.930 -9.529 -11.036 1.00 60.33 C ATOM 43 O ASN A 5 5.680 -10.689 -10.707 1.00 62.53 O ATOM 44 CB ASN A 5 5.578 -8.929 -8.633 1.00 50.13 C ATOM 45 CG ASN A 5 5.331 -7.793 -7.659 1.00 54.04 C ATOM 46 OD1 ASN A 5 4.186 -7.476 -7.336 1.00 32.33 O ATOM 47 ND2 ASN A 5 6.406 -7.174 -7.188 1.00 3.44 N ATOM 0 H ASN A 5 5.992 -6.402 -10.489 1.00 71.11 H new ATOM 0 HA ASN A 5 7.156 -8.198 -9.898 1.00 33.32 H new ATOM 0 HB2 ASN A 5 4.652 -9.484 -8.782 1.00 50.13 H new ATOM 0 HB3 ASN A 5 6.300 -9.623 -8.202 1.00 50.13 H new ATOM 0 HD21 ASN A 5 6.302 -6.401 -6.530 1.00 3.44 H new ATOM 0 HD22 ASN A 5 7.336 -7.471 -7.484 1.00 3.44 H new ATOM 54 N THR A 6 6.071 -9.152 -12.303 1.00 45.02 N ATOM 55 CA THR A 6 5.937 -10.099 -13.402 1.00 62.54 C ATOM 56 C THR A 6 7.244 -10.232 -14.177 1.00 15.21 C ATOM 57 O THR A 6 7.339 -9.810 -15.330 1.00 72.44 O ATOM 58 CB THR A 6 4.818 -9.678 -14.374 1.00 22.34 C ATOM 59 OG1 THR A 6 3.691 -9.189 -13.639 1.00 54.12 O ATOM 60 CG2 THR A 6 4.392 -10.848 -15.248 1.00 34.04 C ATOM 0 H THR A 6 6.278 -8.196 -12.593 1.00 45.02 H new ATOM 0 HA THR A 6 5.681 -11.061 -12.959 1.00 62.54 H new ATOM 0 HB THR A 6 5.203 -8.887 -15.017 1.00 22.34 H new ATOM 0 HG1 THR A 6 2.984 -8.922 -14.263 1.00 54.12 H new ATOM 0 HG21 THR A 6 3.601 -10.527 -15.926 1.00 34.04 H new ATOM 0 HG22 THR A 6 5.246 -11.199 -15.827 1.00 34.04 H new ATOM 0 HG23 THR A 6 4.023 -11.657 -14.618 1.00 34.04 H new ATOM 68 N LEU A 7 8.248 -10.820 -13.537 1.00 1.01 N ATOM 69 CA LEU A 7 9.550 -11.009 -14.167 1.00 4.13 C ATOM 70 C LEU A 7 9.417 -11.795 -15.467 1.00 25.52 C ATOM 71 O LEU A 7 8.944 -12.932 -15.470 1.00 72.13 O ATOM 72 CB LEU A 7 10.500 -11.736 -13.212 1.00 53.44 C ATOM 73 CG LEU A 7 10.700 -11.088 -11.842 1.00 15.41 C ATOM 74 CD1 LEU A 7 11.500 -12.004 -10.930 1.00 32.23 C ATOM 75 CD2 LEU A 7 11.390 -9.739 -11.985 1.00 61.21 C ATOM 0 H LEU A 7 8.186 -11.174 -12.582 1.00 1.01 H new ATOM 0 HA LEU A 7 9.960 -10.026 -14.399 1.00 4.13 H new ATOM 0 HB2 LEU A 7 10.127 -12.749 -13.061 1.00 53.44 H new ATOM 0 HB3 LEU A 7 11.473 -11.823 -13.696 1.00 53.44 H new ATOM 0 HG LEU A 7 9.721 -10.926 -11.392 1.00 15.41 H new ATOM 0 HD11 LEU A 7 11.632 -11.526 -9.959 1.00 32.23 H new ATOM 0 HD12 LEU A 7 10.966 -12.946 -10.801 1.00 32.23 H new ATOM 0 HD13 LEU A 7 12.476 -12.198 -11.375 1.00 32.23 H new ATOM 0 HD21 LEU A 7 11.524 -9.293 -11.000 1.00 61.21 H new ATOM 0 HD22 LEU A 7 12.363 -9.876 -12.457 1.00 61.21 H new ATOM 0 HD23 LEU A 7 10.778 -9.081 -12.601 1.00 61.21 H new ATOM 87 N ILE A 8 9.840 -11.184 -16.568 1.00 44.00 N ATOM 88 CA ILE A 8 9.772 -11.829 -17.874 1.00 15.45 C ATOM 89 C ILE A 8 11.052 -11.597 -18.669 1.00 31.50 C ATOM 90 O ILE A 8 11.838 -10.704 -18.354 1.00 54.21 O ATOM 91 CB ILE A 8 8.572 -11.316 -18.692 1.00 42.52 C ATOM 92 CG1 ILE A 8 8.654 -9.797 -18.860 1.00 53.12 C ATOM 93 CG2 ILE A 8 7.265 -11.710 -18.021 1.00 61.22 C ATOM 94 CD1 ILE A 8 8.012 -9.295 -20.135 1.00 0.55 C ATOM 0 H ILE A 8 10.234 -10.243 -16.582 1.00 44.00 H new ATOM 0 HA ILE A 8 9.649 -12.897 -17.693 1.00 15.45 H new ATOM 0 HB ILE A 8 8.602 -11.775 -19.680 1.00 42.52 H new ATOM 0 HG12 ILE A 8 8.172 -9.319 -18.007 1.00 53.12 H new ATOM 0 HG13 ILE A 8 9.701 -9.494 -18.846 1.00 53.12 H new ATOM 0 HG21 ILE A 8 6.427 -11.340 -18.611 1.00 61.22 H new ATOM 0 HG22 ILE A 8 7.206 -12.796 -17.948 1.00 61.22 H new ATOM 0 HG23 ILE A 8 7.224 -11.277 -17.022 1.00 61.22 H new ATOM 0 HD11 ILE A 8 8.107 -8.210 -20.188 1.00 0.55 H new ATOM 0 HD12 ILE A 8 8.509 -9.745 -20.994 1.00 0.55 H new ATOM 0 HD13 ILE A 8 6.957 -9.567 -20.143 1.00 0.55 H new ATOM 106 N SER A 9 11.254 -12.408 -19.703 1.00 24.24 N ATOM 107 CA SER A 9 12.441 -12.294 -20.543 1.00 55.30 C ATOM 108 C SER A 9 12.058 -12.253 -22.019 1.00 44.15 C ATOM 109 O SER A 9 11.830 -13.290 -22.643 1.00 3.14 O ATOM 110 CB SER A 9 13.391 -13.464 -20.283 1.00 11.04 C ATOM 111 OG SER A 9 12.675 -14.628 -19.907 1.00 64.10 O ATOM 0 H SER A 9 10.612 -13.151 -19.979 1.00 24.24 H new ATOM 0 HA SER A 9 12.947 -11.362 -20.290 1.00 55.30 H new ATOM 0 HB2 SER A 9 13.977 -13.667 -21.180 1.00 11.04 H new ATOM 0 HB3 SER A 9 14.096 -13.196 -19.496 1.00 11.04 H new ATOM 0 HG SER A 9 11.913 -14.753 -20.511 1.00 64.10 H new ATOM 117 N VAL A 10 11.990 -11.047 -22.574 1.00 3.54 N ATOM 118 CA VAL A 10 11.637 -10.869 -23.977 1.00 0.41 C ATOM 119 C VAL A 10 12.802 -10.283 -24.767 1.00 21.30 C ATOM 120 O VAL A 10 13.407 -9.292 -24.358 1.00 53.34 O ATOM 121 CB VAL A 10 10.411 -9.950 -24.135 1.00 11.11 C ATOM 122 CG1 VAL A 10 10.709 -8.563 -23.587 1.00 14.34 C ATOM 123 CG2 VAL A 10 9.986 -9.876 -25.594 1.00 13.34 C ATOM 0 H VAL A 10 12.175 -10.178 -22.073 1.00 3.54 H new ATOM 0 HA VAL A 10 11.395 -11.857 -24.370 1.00 0.41 H new ATOM 0 HB VAL A 10 9.586 -10.371 -23.561 1.00 11.11 H new ATOM 0 HG11 VAL A 10 9.831 -7.928 -23.707 1.00 14.34 H new ATOM 0 HG12 VAL A 10 10.962 -8.636 -22.529 1.00 14.34 H new ATOM 0 HG13 VAL A 10 11.548 -8.129 -24.131 1.00 14.34 H new ATOM 0 HG21 VAL A 10 9.119 -9.223 -25.688 1.00 13.34 H new ATOM 0 HG22 VAL A 10 10.806 -9.478 -26.192 1.00 13.34 H new ATOM 0 HG23 VAL A 10 9.729 -10.874 -25.949 1.00 13.34 H new ATOM 133 N ASP A 11 13.111 -10.903 -25.901 1.00 5.05 N ATOM 134 CA ASP A 11 14.204 -10.443 -26.750 1.00 52.31 C ATOM 135 C ASP A 11 13.675 -9.941 -28.090 1.00 44.42 C ATOM 136 O ASP A 11 12.530 -10.205 -28.456 1.00 13.25 O ATOM 137 CB ASP A 11 15.213 -11.570 -26.975 1.00 53.15 C ATOM 138 CG ASP A 11 14.549 -12.928 -27.083 1.00 34.53 C ATOM 139 OD1 ASP A 11 13.506 -13.027 -27.762 1.00 54.50 O ATOM 140 OD2 ASP A 11 15.071 -13.894 -26.487 1.00 4.45 O ATOM 0 H ASP A 11 12.620 -11.725 -26.253 1.00 5.05 H new ATOM 0 HA ASP A 11 14.703 -9.617 -26.243 1.00 52.31 H new ATOM 0 HB2 ASP A 11 15.778 -11.372 -27.886 1.00 53.15 H new ATOM 0 HB3 ASP A 11 15.928 -11.583 -26.153 1.00 53.15 H new ATOM 145 N TYR A 12 14.517 -9.215 -28.818 1.00 2.03 N ATOM 146 CA TYR A 12 14.134 -8.673 -30.116 1.00 11.32 C ATOM 147 C TYR A 12 15.342 -8.087 -30.840 1.00 3.44 C ATOM 148 O TYR A 12 16.449 -8.062 -30.302 1.00 51.11 O ATOM 149 CB TYR A 12 13.057 -7.600 -29.946 1.00 2.41 C ATOM 150 CG TYR A 12 13.348 -6.621 -28.830 1.00 71.43 C ATOM 151 CD1 TYR A 12 14.466 -5.797 -28.876 1.00 35.33 C ATOM 152 CD2 TYR A 12 12.504 -6.521 -27.731 1.00 0.40 C ATOM 153 CE1 TYR A 12 14.735 -4.903 -27.858 1.00 43.33 C ATOM 154 CE2 TYR A 12 12.765 -5.628 -26.710 1.00 1.25 C ATOM 155 CZ TYR A 12 13.882 -4.822 -26.778 1.00 1.55 C ATOM 156 OH TYR A 12 14.147 -3.931 -25.763 1.00 15.34 O ATOM 0 H TYR A 12 15.469 -8.989 -28.531 1.00 2.03 H new ATOM 0 HA TYR A 12 13.733 -9.489 -30.718 1.00 11.32 H new ATOM 0 HB2 TYR A 12 12.952 -7.051 -30.882 1.00 2.41 H new ATOM 0 HB3 TYR A 12 12.100 -8.085 -29.752 1.00 2.41 H new ATOM 0 HD1 TYR A 12 15.135 -5.857 -29.721 1.00 35.33 H new ATOM 0 HD2 TYR A 12 11.629 -7.152 -27.674 1.00 0.40 H new ATOM 0 HE1 TYR A 12 15.609 -4.271 -27.908 1.00 43.33 H new ATOM 0 HE2 TYR A 12 12.098 -5.561 -25.863 1.00 1.25 H new ATOM 0 HH TYR A 12 15.017 -4.140 -25.363 1.00 15.34 H new ATOM 166 N GLU A 13 15.120 -7.615 -32.063 1.00 20.24 N ATOM 167 CA GLU A 13 16.190 -7.029 -32.861 1.00 23.12 C ATOM 168 C GLU A 13 15.773 -5.671 -33.417 1.00 51.21 C ATOM 169 O GLU A 13 15.337 -5.566 -34.564 1.00 10.41 O ATOM 170 CB GLU A 13 16.573 -7.967 -34.008 1.00 1.41 C ATOM 171 CG GLU A 13 15.380 -8.490 -34.790 1.00 62.01 C ATOM 172 CD GLU A 13 14.827 -9.780 -34.217 1.00 23.34 C ATOM 173 OE1 GLU A 13 15.485 -10.830 -34.375 1.00 35.13 O ATOM 174 OE2 GLU A 13 13.737 -9.739 -33.609 1.00 72.42 O ATOM 0 H GLU A 13 14.209 -7.627 -32.522 1.00 20.24 H new ATOM 0 HA GLU A 13 17.055 -6.886 -32.214 1.00 23.12 H new ATOM 0 HB2 GLU A 13 17.241 -7.440 -34.690 1.00 1.41 H new ATOM 0 HB3 GLU A 13 17.131 -8.812 -33.604 1.00 1.41 H new ATOM 0 HG2 GLU A 13 14.595 -7.734 -34.797 1.00 62.01 H new ATOM 0 HG3 GLU A 13 15.674 -8.654 -35.827 1.00 62.01 H new ATOM 181 N ILE A 14 15.909 -4.635 -32.596 1.00 41.24 N ATOM 182 CA ILE A 14 15.547 -3.284 -33.006 1.00 11.30 C ATOM 183 C ILE A 14 16.207 -2.915 -34.330 1.00 72.35 C ATOM 184 O ILE A 14 17.342 -3.309 -34.602 1.00 15.53 O ATOM 185 CB ILE A 14 15.946 -2.246 -31.940 1.00 65.22 C ATOM 186 CG1 ILE A 14 15.253 -2.554 -30.612 1.00 33.32 C ATOM 187 CG2 ILE A 14 15.600 -0.842 -32.412 1.00 12.11 C ATOM 188 CD1 ILE A 14 13.744 -2.601 -30.715 1.00 23.45 C ATOM 0 H ILE A 14 16.267 -4.705 -31.644 1.00 41.24 H new ATOM 0 HA ILE A 14 14.464 -3.271 -33.127 1.00 11.30 H new ATOM 0 HB ILE A 14 17.024 -2.301 -31.786 1.00 65.22 H new ATOM 0 HG12 ILE A 14 15.614 -3.512 -30.237 1.00 33.32 H new ATOM 0 HG13 ILE A 14 15.536 -1.798 -29.880 1.00 33.32 H new ATOM 0 HG21 ILE A 14 15.888 -0.120 -31.648 1.00 12.11 H new ATOM 0 HG22 ILE A 14 16.137 -0.626 -33.336 1.00 12.11 H new ATOM 0 HG23 ILE A 14 14.527 -0.772 -32.591 1.00 12.11 H new ATOM 0 HD11 ILE A 14 13.319 -2.824 -29.736 1.00 23.45 H new ATOM 0 HD12 ILE A 14 13.373 -1.636 -31.060 1.00 23.45 H new ATOM 0 HD13 ILE A 14 13.452 -3.377 -31.423 1.00 23.45 H new ATOM 200 N PHE A 15 15.489 -2.156 -35.152 1.00 30.22 N ATOM 201 CA PHE A 15 16.005 -1.733 -36.449 1.00 32.24 C ATOM 202 C PHE A 15 16.529 -0.302 -36.385 1.00 2.45 C ATOM 203 O PHE A 15 16.617 0.291 -35.310 1.00 41.53 O ATOM 204 CB PHE A 15 14.913 -1.841 -37.515 1.00 62.23 C ATOM 205 CG PHE A 15 14.120 -3.114 -37.435 1.00 21.23 C ATOM 206 CD1 PHE A 15 14.760 -4.341 -37.358 1.00 50.21 C ATOM 207 CD2 PHE A 15 12.735 -3.084 -37.435 1.00 30.21 C ATOM 208 CE1 PHE A 15 14.032 -5.514 -37.285 1.00 4.44 C ATOM 209 CE2 PHE A 15 12.002 -4.254 -37.361 1.00 40.22 C ATOM 210 CZ PHE A 15 12.652 -5.470 -37.285 1.00 31.01 C ATOM 0 H PHE A 15 14.548 -1.821 -34.943 1.00 30.22 H new ATOM 0 HA PHE A 15 16.831 -2.392 -36.716 1.00 32.24 H new ATOM 0 HB2 PHE A 15 14.235 -0.993 -37.416 1.00 62.23 H new ATOM 0 HB3 PHE A 15 15.371 -1.769 -38.501 1.00 62.23 H new ATOM 0 HD1 PHE A 15 15.839 -4.381 -37.355 1.00 50.21 H new ATOM 0 HD2 PHE A 15 12.222 -2.136 -37.493 1.00 30.21 H new ATOM 0 HE1 PHE A 15 14.542 -6.464 -37.228 1.00 4.44 H new ATOM 0 HE2 PHE A 15 10.923 -4.217 -37.363 1.00 40.22 H new ATOM 0 HZ PHE A 15 12.082 -6.385 -37.226 1.00 31.01 H new ATOM 220 N GLY A 16 16.877 0.247 -37.544 1.00 43.45 N ATOM 221 CA GLY A 16 17.389 1.604 -37.599 1.00 44.10 C ATOM 222 C GLY A 16 18.758 1.682 -38.246 1.00 72.35 C ATOM 223 O GLY A 16 19.191 0.743 -38.915 1.00 41.10 O ATOM 0 H GLY A 16 16.814 -0.224 -38.447 1.00 43.45 H new ATOM 0 HA2 GLY A 16 16.691 2.230 -38.156 1.00 44.10 H new ATOM 0 HA3 GLY A 16 17.445 2.009 -36.589 1.00 44.10 H new ATOM 227 N LYS A 17 19.441 2.804 -38.050 1.00 53.50 N ATOM 228 CA LYS A 17 20.768 3.003 -38.620 1.00 21.23 C ATOM 229 C LYS A 17 21.853 2.635 -37.612 1.00 51.23 C ATOM 230 O LYS A 17 22.907 3.269 -37.561 1.00 41.11 O ATOM 231 CB LYS A 17 20.942 4.456 -39.065 1.00 44.43 C ATOM 232 CG LYS A 17 20.903 5.453 -37.919 1.00 64.34 C ATOM 233 CD LYS A 17 21.505 6.789 -38.321 1.00 61.24 C ATOM 234 CE LYS A 17 23.002 6.829 -38.054 1.00 12.34 C ATOM 235 NZ LYS A 17 23.786 6.309 -39.207 1.00 60.25 N ATOM 0 H LYS A 17 19.097 3.591 -37.500 1.00 53.50 H new ATOM 0 HA LYS A 17 20.865 2.350 -39.487 1.00 21.23 H new ATOM 0 HB2 LYS A 17 21.892 4.555 -39.589 1.00 44.43 H new ATOM 0 HB3 LYS A 17 20.157 4.705 -39.779 1.00 44.43 H new ATOM 0 HG2 LYS A 17 19.872 5.600 -37.598 1.00 64.34 H new ATOM 0 HG3 LYS A 17 21.448 5.049 -37.066 1.00 64.34 H new ATOM 0 HD2 LYS A 17 21.318 6.970 -39.380 1.00 61.24 H new ATOM 0 HD3 LYS A 17 21.014 7.591 -37.769 1.00 61.24 H new ATOM 0 HE2 LYS A 17 23.305 7.854 -37.842 1.00 12.34 H new ATOM 0 HE3 LYS A 17 23.228 6.239 -37.166 1.00 12.34 H new ATOM 0 HZ1 LYS A 17 24.625 6.905 -39.353 1.00 60.25 H new ATOM 0 HZ2 LYS A 17 24.085 5.332 -39.011 1.00 60.25 H new ATOM 0 HZ3 LYS A 17 23.196 6.325 -40.063 1.00 60.25 H new ATOM 249 N VAL A 18 21.588 1.606 -36.813 1.00 42.43 N ATOM 250 CA VAL A 18 22.543 1.153 -35.809 1.00 61.22 C ATOM 251 C VAL A 18 23.832 0.663 -36.459 1.00 25.14 C ATOM 252 O VAL A 18 24.861 0.532 -35.796 1.00 62.00 O ATOM 253 CB VAL A 18 21.954 0.022 -34.945 1.00 64.33 C ATOM 254 CG1 VAL A 18 20.685 0.487 -34.249 1.00 14.10 C ATOM 255 CG2 VAL A 18 21.685 -1.212 -35.794 1.00 43.43 C ATOM 0 H VAL A 18 20.720 1.071 -36.842 1.00 42.43 H new ATOM 0 HA VAL A 18 22.764 2.009 -35.172 1.00 61.22 H new ATOM 0 HB VAL A 18 22.683 -0.244 -34.179 1.00 64.33 H new ATOM 0 HG11 VAL A 18 20.284 -0.326 -33.643 1.00 14.10 H new ATOM 0 HG12 VAL A 18 20.913 1.339 -33.608 1.00 14.10 H new ATOM 0 HG13 VAL A 18 19.948 0.782 -34.996 1.00 14.10 H new ATOM 0 HG21 VAL A 18 21.269 -2.001 -35.167 1.00 43.43 H new ATOM 0 HG22 VAL A 18 20.975 -0.963 -36.583 1.00 43.43 H new ATOM 0 HG23 VAL A 18 22.618 -1.557 -36.240 1.00 43.43 H new ATOM 265 N GLN A 19 23.769 0.394 -37.759 1.00 13.33 N ATOM 266 CA GLN A 19 24.932 -0.082 -38.498 1.00 0.42 C ATOM 267 C GLN A 19 26.008 0.997 -38.574 1.00 15.14 C ATOM 268 O GLN A 19 27.189 0.699 -38.746 1.00 54.24 O ATOM 269 CB GLN A 19 24.525 -0.513 -39.908 1.00 3.10 C ATOM 270 CG GLN A 19 23.379 -1.511 -39.932 1.00 53.30 C ATOM 271 CD GLN A 19 22.808 -1.710 -41.322 1.00 54.01 C ATOM 272 OE1 GLN A 19 23.547 -1.798 -42.303 1.00 30.32 O ATOM 273 NE2 GLN A 19 21.485 -1.782 -41.414 1.00 71.22 N ATOM 0 H GLN A 19 22.925 0.498 -38.322 1.00 13.33 H new ATOM 0 HA GLN A 19 25.342 -0.941 -37.967 1.00 0.42 H new ATOM 0 HB2 GLN A 19 24.239 0.370 -40.480 1.00 3.10 H new ATOM 0 HB3 GLN A 19 25.388 -0.952 -40.408 1.00 3.10 H new ATOM 0 HG2 GLN A 19 23.728 -2.469 -39.546 1.00 53.30 H new ATOM 0 HG3 GLN A 19 22.589 -1.167 -39.264 1.00 53.30 H new ATOM 0 HE21 GLN A 19 20.910 -1.704 -40.575 1.00 71.22 H new ATOM 0 HE22 GLN A 19 21.044 -1.915 -42.324 1.00 71.22 H new ATOM 282 N GLY A 20 25.590 2.253 -38.443 1.00 72.34 N ATOM 283 CA GLY A 20 26.530 3.357 -38.500 1.00 72.14 C ATOM 284 C GLY A 20 26.625 4.106 -37.186 1.00 23.41 C ATOM 285 O GLY A 20 26.274 5.283 -37.106 1.00 71.34 O ATOM 0 H GLY A 20 24.618 2.525 -38.299 1.00 72.34 H new ATOM 0 HA2 GLY A 20 27.515 2.977 -38.770 1.00 72.14 H new ATOM 0 HA3 GLY A 20 26.227 4.048 -39.287 1.00 72.14 H new ATOM 289 N VAL A 21 27.101 3.421 -36.150 1.00 52.41 N ATOM 290 CA VAL A 21 27.241 4.029 -34.832 1.00 71.20 C ATOM 291 C VAL A 21 27.861 3.051 -33.840 1.00 15.44 C ATOM 292 O VAL A 21 27.329 1.966 -33.607 1.00 32.34 O ATOM 293 CB VAL A 21 25.882 4.505 -34.286 1.00 74.02 C ATOM 294 CG1 VAL A 21 24.880 3.360 -34.273 1.00 43.04 C ATOM 295 CG2 VAL A 21 26.045 5.097 -32.894 1.00 53.04 C ATOM 0 H VAL A 21 27.396 2.446 -36.198 1.00 52.41 H new ATOM 0 HA VAL A 21 27.899 4.891 -34.948 1.00 71.20 H new ATOM 0 HB VAL A 21 25.499 5.284 -34.945 1.00 74.02 H new ATOM 0 HG11 VAL A 21 23.926 3.716 -33.884 1.00 43.04 H new ATOM 0 HG12 VAL A 21 24.742 2.986 -35.287 1.00 43.04 H new ATOM 0 HG13 VAL A 21 25.254 2.557 -33.638 1.00 43.04 H new ATOM 0 HG21 VAL A 21 25.075 5.428 -32.524 1.00 53.04 H new ATOM 0 HG22 VAL A 21 26.451 4.341 -32.222 1.00 53.04 H new ATOM 0 HG23 VAL A 21 26.726 5.947 -32.938 1.00 53.04 H new ATOM 305 N PHE A 22 28.988 3.444 -33.257 1.00 3.14 N ATOM 306 CA PHE A 22 29.682 2.602 -32.288 1.00 52.35 C ATOM 307 C PHE A 22 29.544 3.169 -30.878 1.00 61.43 C ATOM 308 O PHE A 22 30.471 3.089 -30.072 1.00 2.20 O ATOM 309 CB PHE A 22 31.161 2.477 -32.658 1.00 23.44 C ATOM 310 CG PHE A 22 31.405 1.636 -33.878 1.00 43.44 C ATOM 311 CD1 PHE A 22 30.814 0.390 -34.007 1.00 50.14 C ATOM 312 CD2 PHE A 22 32.227 2.093 -34.897 1.00 35.21 C ATOM 313 CE1 PHE A 22 31.036 -0.386 -35.130 1.00 1.42 C ATOM 314 CE2 PHE A 22 32.452 1.322 -36.022 1.00 31.14 C ATOM 315 CZ PHE A 22 31.857 0.081 -36.138 1.00 20.33 C ATOM 0 H PHE A 22 29.441 4.340 -33.438 1.00 3.14 H new ATOM 0 HA PHE A 22 29.225 1.613 -32.309 1.00 52.35 H new ATOM 0 HB2 PHE A 22 31.571 3.473 -32.825 1.00 23.44 H new ATOM 0 HB3 PHE A 22 31.703 2.047 -31.816 1.00 23.44 H new ATOM 0 HD1 PHE A 22 30.172 0.020 -33.221 1.00 50.14 H new ATOM 0 HD2 PHE A 22 32.696 3.062 -34.811 1.00 35.21 H new ATOM 0 HE1 PHE A 22 30.568 -1.355 -35.219 1.00 1.42 H new ATOM 0 HE2 PHE A 22 33.093 1.690 -36.810 1.00 31.14 H new ATOM 0 HZ PHE A 22 32.033 -0.523 -37.015 1.00 20.33 H new ATOM 325 N PHE A 23 28.380 3.741 -30.588 1.00 5.00 N ATOM 326 CA PHE A 23 28.121 4.323 -29.276 1.00 73.51 C ATOM 327 C PHE A 23 27.867 3.233 -28.239 1.00 24.34 C ATOM 328 O PHE A 23 28.725 2.945 -27.403 1.00 74.12 O ATOM 329 CB PHE A 23 26.920 5.268 -29.343 1.00 14.13 C ATOM 330 CG PHE A 23 27.290 6.685 -29.676 1.00 71.03 C ATOM 331 CD1 PHE A 23 28.080 6.967 -30.779 1.00 3.33 C ATOM 332 CD2 PHE A 23 26.848 7.735 -28.887 1.00 71.40 C ATOM 333 CE1 PHE A 23 28.423 8.270 -31.089 1.00 14.13 C ATOM 334 CE2 PHE A 23 27.187 9.039 -29.192 1.00 54.33 C ATOM 335 CZ PHE A 23 27.976 9.307 -30.294 1.00 11.33 C ATOM 0 H PHE A 23 27.602 3.814 -31.243 1.00 5.00 H new ATOM 0 HA PHE A 23 29.003 4.888 -28.975 1.00 73.51 H new ATOM 0 HB2 PHE A 23 26.219 4.899 -30.091 1.00 14.13 H new ATOM 0 HB3 PHE A 23 26.401 5.252 -28.384 1.00 14.13 H new ATOM 0 HD1 PHE A 23 28.432 6.159 -31.404 1.00 3.33 H new ATOM 0 HD2 PHE A 23 26.232 7.532 -28.024 1.00 71.40 H new ATOM 0 HE1 PHE A 23 29.039 8.477 -31.951 1.00 14.13 H new ATOM 0 HE2 PHE A 23 26.835 9.848 -28.569 1.00 54.33 H new ATOM 0 HZ PHE A 23 28.243 10.326 -30.533 1.00 11.33 H new ATOM 345 N ARG A 24 26.684 2.631 -28.298 1.00 61.35 N ATOM 346 CA ARG A 24 26.316 1.574 -27.364 1.00 3.03 C ATOM 347 C ARG A 24 26.541 2.021 -25.922 1.00 55.21 C ATOM 348 O ARG A 24 26.836 1.207 -25.047 1.00 12.33 O ATOM 349 CB ARG A 24 27.126 0.308 -27.648 1.00 22.31 C ATOM 350 CG ARG A 24 26.565 -0.937 -26.981 1.00 35.13 C ATOM 351 CD ARG A 24 27.012 -2.202 -27.695 1.00 65.43 C ATOM 352 NE ARG A 24 28.463 -2.257 -27.853 1.00 63.34 N ATOM 353 CZ ARG A 24 29.084 -3.123 -28.647 1.00 52.13 C ATOM 354 NH1 ARG A 24 28.384 -4.001 -29.352 1.00 34.11 N ATOM 355 NH2 ARG A 24 30.408 -3.111 -28.738 1.00 14.20 N ATOM 0 H ARG A 24 25.963 2.857 -28.983 1.00 61.35 H new ATOM 0 HA ARG A 24 25.256 1.357 -27.499 1.00 3.03 H new ATOM 0 HB2 ARG A 24 27.165 0.146 -28.725 1.00 22.31 H new ATOM 0 HB3 ARG A 24 28.151 0.460 -27.311 1.00 22.31 H new ATOM 0 HG2 ARG A 24 26.889 -0.971 -25.941 1.00 35.13 H new ATOM 0 HG3 ARG A 24 25.476 -0.888 -26.974 1.00 35.13 H new ATOM 0 HD2 ARG A 24 26.675 -3.074 -27.134 1.00 65.43 H new ATOM 0 HD3 ARG A 24 26.538 -2.252 -28.675 1.00 65.43 H new ATOM 0 HE ARG A 24 29.031 -1.594 -27.325 1.00 63.34 H new ATOM 0 HH11 ARG A 24 27.366 -4.013 -29.286 1.00 34.11 H new ATOM 0 HH12 ARG A 24 28.863 -4.665 -29.961 1.00 34.11 H new ATOM 0 HH21 ARG A 24 30.950 -2.437 -28.198 1.00 14.20 H new ATOM 0 HH22 ARG A 24 30.883 -3.776 -29.348 1.00 14.20 H new ATOM 369 N LYS A 25 26.399 3.320 -25.682 1.00 52.43 N ATOM 370 CA LYS A 25 26.585 3.877 -24.348 1.00 13.33 C ATOM 371 C LYS A 25 25.353 4.664 -23.910 1.00 44.22 C ATOM 372 O LYS A 25 25.417 5.469 -22.980 1.00 34.42 O ATOM 373 CB LYS A 25 27.819 4.782 -24.318 1.00 15.15 C ATOM 374 CG LYS A 25 28.507 4.827 -22.964 1.00 52.33 C ATOM 375 CD LYS A 25 29.766 5.676 -23.007 1.00 42.22 C ATOM 376 CE LYS A 25 30.562 5.559 -21.716 1.00 60.44 C ATOM 377 NZ LYS A 25 31.979 5.979 -21.898 1.00 11.30 N ATOM 0 H LYS A 25 26.155 4.007 -26.395 1.00 52.43 H new ATOM 0 HA LYS A 25 26.732 3.050 -23.653 1.00 13.33 H new ATOM 0 HB2 LYS A 25 28.531 4.436 -25.067 1.00 15.15 H new ATOM 0 HB3 LYS A 25 27.525 5.793 -24.601 1.00 15.15 H new ATOM 0 HG2 LYS A 25 27.821 5.230 -22.219 1.00 52.33 H new ATOM 0 HG3 LYS A 25 28.760 3.815 -22.650 1.00 52.33 H new ATOM 0 HD2 LYS A 25 30.387 5.366 -23.848 1.00 42.22 H new ATOM 0 HD3 LYS A 25 29.497 6.719 -23.177 1.00 42.22 H new ATOM 0 HE2 LYS A 25 30.097 6.174 -20.946 1.00 60.44 H new ATOM 0 HE3 LYS A 25 30.531 4.528 -21.363 1.00 60.44 H new ATOM 0 HZ1 LYS A 25 32.488 5.885 -20.996 1.00 11.30 H new ATOM 0 HZ2 LYS A 25 32.431 5.376 -22.615 1.00 11.30 H new ATOM 0 HZ3 LYS A 25 32.010 6.970 -22.211 1.00 11.30 H new ATOM 391 N HIS A 26 24.234 4.426 -24.586 1.00 14.23 N ATOM 392 CA HIS A 26 22.987 5.112 -24.265 1.00 33.43 C ATOM 393 C HIS A 26 21.915 4.115 -23.833 1.00 11.55 C ATOM 394 O HIS A 26 21.047 4.434 -23.019 1.00 51.41 O ATOM 395 CB HIS A 26 22.497 5.915 -25.470 1.00 33.30 C ATOM 396 CG HIS A 26 21.737 7.150 -25.097 1.00 54.34 C ATOM 397 ND1 HIS A 26 22.304 8.407 -25.080 1.00 63.25 N ATOM 398 CD2 HIS A 26 20.445 7.318 -24.728 1.00 62.41 C ATOM 399 CE1 HIS A 26 21.396 9.293 -24.715 1.00 54.21 C ATOM 400 NE2 HIS A 26 20.258 8.658 -24.496 1.00 4.12 N ATOM 0 H HIS A 26 24.165 3.764 -25.359 1.00 14.23 H new ATOM 0 HA HIS A 26 23.179 5.795 -23.437 1.00 33.43 H new ATOM 0 HB2 HIS A 26 23.354 6.197 -26.082 1.00 33.30 H new ATOM 0 HB3 HIS A 26 21.861 5.279 -26.086 1.00 33.30 H new ATOM 0 HD2 HIS A 26 19.700 6.542 -24.634 1.00 62.41 H new ATOM 0 HE1 HIS A 26 21.556 10.356 -24.613 1.00 54.21 H new ATOM 0 HE2 HIS A 26 19.383 9.093 -24.202 1.00 4.12 H new ATOM 408 N THR A 27 21.980 2.907 -24.383 1.00 24.13 N ATOM 409 CA THR A 27 21.015 1.865 -24.056 1.00 2.11 C ATOM 410 C THR A 27 21.365 1.186 -22.737 1.00 14.14 C ATOM 411 O THR A 27 20.480 0.774 -21.988 1.00 35.44 O ATOM 412 CB THR A 27 20.942 0.799 -25.165 1.00 61.13 C ATOM 413 OG1 THR A 27 19.926 -0.161 -24.856 1.00 55.00 O ATOM 414 CG2 THR A 27 22.280 0.094 -25.327 1.00 62.31 C ATOM 0 H THR A 27 22.692 2.626 -25.058 1.00 24.13 H new ATOM 0 HA THR A 27 20.044 2.351 -23.965 1.00 2.11 H new ATOM 0 HB THR A 27 20.696 1.298 -26.102 1.00 61.13 H new ATOM 0 HG1 THR A 27 19.885 -0.834 -25.567 1.00 55.00 H new ATOM 0 HG21 THR A 27 22.204 -0.654 -26.116 1.00 62.31 H new ATOM 0 HG22 THR A 27 23.046 0.823 -25.591 1.00 62.31 H new ATOM 0 HG23 THR A 27 22.551 -0.393 -24.390 1.00 62.31 H new ATOM 422 N GLN A 28 22.659 1.074 -22.459 1.00 5.34 N ATOM 423 CA GLN A 28 23.125 0.445 -21.228 1.00 73.34 C ATOM 424 C GLN A 28 22.832 1.328 -20.020 1.00 52.33 C ATOM 425 O GLN A 28 22.468 0.836 -18.953 1.00 33.01 O ATOM 426 CB GLN A 28 24.625 0.157 -21.313 1.00 53.43 C ATOM 427 CG GLN A 28 25.475 1.406 -21.484 1.00 13.12 C ATOM 428 CD GLN A 28 25.977 1.955 -20.163 1.00 64.30 C ATOM 429 OE1 GLN A 28 25.781 3.129 -19.851 1.00 1.55 O ATOM 430 NE2 GLN A 28 26.630 1.105 -19.379 1.00 23.02 N ATOM 0 H GLN A 28 23.404 1.410 -23.069 1.00 5.34 H new ATOM 0 HA GLN A 28 22.588 -0.496 -21.105 1.00 73.34 H new ATOM 0 HB2 GLN A 28 24.938 -0.365 -20.409 1.00 53.43 H new ATOM 0 HB3 GLN A 28 24.811 -0.516 -22.150 1.00 53.43 H new ATOM 0 HG2 GLN A 28 26.326 1.177 -22.125 1.00 13.12 H new ATOM 0 HG3 GLN A 28 24.890 2.172 -21.993 1.00 13.12 H new ATOM 0 HE21 GLN A 28 26.770 0.140 -19.678 1.00 23.02 H new ATOM 0 HE22 GLN A 28 26.992 1.417 -18.478 1.00 23.02 H new ATOM 439 N ALA A 29 22.994 2.636 -20.196 1.00 74.44 N ATOM 440 CA ALA A 29 22.745 3.588 -19.121 1.00 71.22 C ATOM 441 C ALA A 29 21.250 3.812 -18.921 1.00 31.40 C ATOM 442 O ALA A 29 20.799 4.093 -17.811 1.00 51.43 O ATOM 443 CB ALA A 29 23.444 4.907 -19.413 1.00 13.52 C ATOM 0 H ALA A 29 23.297 3.060 -21.073 1.00 74.44 H new ATOM 0 HA ALA A 29 23.149 3.171 -18.199 1.00 71.22 H new ATOM 0 HB1 ALA A 29 23.250 5.609 -18.602 1.00 13.52 H new ATOM 0 HB2 ALA A 29 24.518 4.739 -19.498 1.00 13.52 H new ATOM 0 HB3 ALA A 29 23.066 5.320 -20.348 1.00 13.52 H new ATOM 449 N GLU A 30 20.487 3.685 -20.002 1.00 61.23 N ATOM 450 CA GLU A 30 19.043 3.875 -19.944 1.00 15.30 C ATOM 451 C GLU A 30 18.354 2.643 -19.363 1.00 44.32 C ATOM 452 O GLU A 30 17.361 2.754 -18.645 1.00 65.03 O ATOM 453 CB GLU A 30 18.488 4.173 -21.339 1.00 22.42 C ATOM 454 CG GLU A 30 17.000 3.897 -21.474 1.00 0.33 C ATOM 455 CD GLU A 30 16.165 4.720 -20.512 1.00 11.01 C ATOM 456 OE1 GLU A 30 16.667 5.756 -20.028 1.00 40.32 O ATOM 457 OE2 GLU A 30 15.010 4.328 -20.243 1.00 4.13 O ATOM 0 H GLU A 30 20.845 3.451 -20.928 1.00 61.23 H new ATOM 0 HA GLU A 30 18.841 4.724 -19.292 1.00 15.30 H new ATOM 0 HB2 GLU A 30 18.678 5.219 -21.581 1.00 22.42 H new ATOM 0 HB3 GLU A 30 19.028 3.573 -22.071 1.00 22.42 H new ATOM 0 HG2 GLU A 30 16.686 4.110 -22.496 1.00 0.33 H new ATOM 0 HG3 GLU A 30 16.813 2.838 -21.297 1.00 0.33 H new ATOM 464 N GLY A 31 18.890 1.468 -19.680 1.00 42.44 N ATOM 465 CA GLY A 31 18.315 0.232 -19.183 1.00 42.31 C ATOM 466 C GLY A 31 18.721 -0.062 -17.752 1.00 42.45 C ATOM 467 O GLY A 31 17.943 -0.623 -16.981 1.00 1.22 O ATOM 0 H GLY A 31 19.712 1.350 -20.272 1.00 42.44 H new ATOM 0 HA2 GLY A 31 17.228 0.290 -19.245 1.00 42.31 H new ATOM 0 HA3 GLY A 31 18.627 -0.593 -19.823 1.00 42.31 H new ATOM 471 N LYS A 32 19.944 0.317 -17.397 1.00 21.34 N ATOM 472 CA LYS A 32 20.454 0.091 -16.049 1.00 72.33 C ATOM 473 C LYS A 32 19.724 0.968 -15.037 1.00 74.32 C ATOM 474 O LYS A 32 19.540 0.580 -13.883 1.00 54.40 O ATOM 475 CB LYS A 32 21.957 0.375 -15.996 1.00 34.00 C ATOM 476 CG LYS A 32 22.297 1.855 -16.012 1.00 15.34 C ATOM 477 CD LYS A 32 23.797 2.084 -15.942 1.00 21.43 C ATOM 478 CE LYS A 32 24.313 1.963 -14.516 1.00 44.21 C ATOM 479 NZ LYS A 32 24.630 0.553 -14.158 1.00 72.20 N ATOM 0 H LYS A 32 20.601 0.782 -18.024 1.00 21.34 H new ATOM 0 HA LYS A 32 20.279 -0.953 -15.791 1.00 72.33 H new ATOM 0 HB2 LYS A 32 22.372 -0.075 -15.094 1.00 34.00 H new ATOM 0 HB3 LYS A 32 22.440 -0.109 -16.845 1.00 34.00 H new ATOM 0 HG2 LYS A 32 21.901 2.310 -16.920 1.00 15.34 H new ATOM 0 HG3 LYS A 32 21.813 2.349 -15.170 1.00 15.34 H new ATOM 0 HD2 LYS A 32 24.307 1.360 -16.577 1.00 21.43 H new ATOM 0 HD3 LYS A 32 24.034 3.073 -16.333 1.00 21.43 H new ATOM 0 HE2 LYS A 32 25.206 2.577 -14.400 1.00 44.21 H new ATOM 0 HE3 LYS A 32 23.566 2.354 -13.825 1.00 44.21 H new ATOM 0 HZ1 LYS A 32 23.999 0.239 -13.393 1.00 72.20 H new ATOM 0 HZ2 LYS A 32 24.494 -0.055 -14.990 1.00 72.20 H new ATOM 0 HZ3 LYS A 32 25.618 0.489 -13.840 1.00 72.20 H new ATOM 493 N LYS A 33 19.308 2.151 -15.477 1.00 70.51 N ATOM 494 CA LYS A 33 18.595 3.082 -14.611 1.00 50.12 C ATOM 495 C LYS A 33 17.329 2.443 -14.050 1.00 21.34 C ATOM 496 O LYS A 33 17.099 2.456 -12.840 1.00 31.14 O ATOM 497 CB LYS A 33 18.238 4.355 -15.382 1.00 14.13 C ATOM 498 CG LYS A 33 17.700 5.469 -14.500 1.00 74.21 C ATOM 499 CD LYS A 33 18.704 5.870 -13.433 1.00 21.32 C ATOM 500 CE LYS A 33 18.214 7.062 -12.626 1.00 32.04 C ATOM 501 NZ LYS A 33 17.868 8.218 -13.498 1.00 41.12 N ATOM 0 H LYS A 33 19.453 2.488 -16.429 1.00 70.51 H new ATOM 0 HA LYS A 33 19.250 3.340 -13.779 1.00 50.12 H new ATOM 0 HB2 LYS A 33 19.124 4.713 -15.906 1.00 14.13 H new ATOM 0 HB3 LYS A 33 17.495 4.113 -16.142 1.00 14.13 H new ATOM 0 HG2 LYS A 33 17.456 6.335 -15.115 1.00 74.21 H new ATOM 0 HG3 LYS A 33 16.774 5.144 -14.026 1.00 74.21 H new ATOM 0 HD2 LYS A 33 18.884 5.027 -12.766 1.00 21.32 H new ATOM 0 HD3 LYS A 33 19.657 6.114 -13.902 1.00 21.32 H new ATOM 0 HE2 LYS A 33 17.339 6.772 -12.044 1.00 32.04 H new ATOM 0 HE3 LYS A 33 18.985 7.361 -11.916 1.00 32.04 H new ATOM 0 HZ1 LYS A 33 17.835 9.086 -12.927 1.00 41.12 H new ATOM 0 HZ2 LYS A 33 18.588 8.320 -14.241 1.00 41.12 H new ATOM 0 HZ3 LYS A 33 16.939 8.056 -13.936 1.00 41.12 H new ATOM 515 N LEU A 34 16.512 1.883 -14.935 1.00 30.22 N ATOM 516 CA LEU A 34 15.269 1.236 -14.527 1.00 43.40 C ATOM 517 C LEU A 34 15.547 0.067 -13.587 1.00 55.34 C ATOM 518 O LEU A 34 14.700 -0.305 -12.776 1.00 52.41 O ATOM 519 CB LEU A 34 14.499 0.747 -15.755 1.00 2.32 C ATOM 520 CG LEU A 34 13.490 1.730 -16.350 1.00 4.31 C ATOM 521 CD1 LEU A 34 12.845 1.144 -17.596 1.00 33.13 C ATOM 522 CD2 LEU A 34 12.431 2.097 -15.320 1.00 65.42 C ATOM 0 H LEU A 34 16.687 1.864 -15.940 1.00 30.22 H new ATOM 0 HA LEU A 34 14.663 1.970 -13.995 1.00 43.40 H new ATOM 0 HB2 LEU A 34 15.219 0.483 -16.529 1.00 2.32 H new ATOM 0 HB3 LEU A 34 13.970 -0.168 -15.487 1.00 2.32 H new ATOM 0 HG LEU A 34 14.021 2.638 -16.634 1.00 4.31 H new ATOM 0 HD11 LEU A 34 12.130 1.858 -18.005 1.00 33.13 H new ATOM 0 HD12 LEU A 34 13.614 0.934 -18.339 1.00 33.13 H new ATOM 0 HD13 LEU A 34 12.328 0.220 -17.338 1.00 33.13 H new ATOM 0 HD21 LEU A 34 11.722 2.797 -15.761 1.00 65.42 H new ATOM 0 HD22 LEU A 34 11.904 1.197 -15.004 1.00 65.42 H new ATOM 0 HD23 LEU A 34 12.908 2.560 -14.456 1.00 65.42 H new ATOM 534 N GLY A 35 16.740 -0.507 -13.702 1.00 22.41 N ATOM 535 CA GLY A 35 17.109 -1.627 -12.855 1.00 53.12 C ATOM 536 C GLY A 35 17.058 -2.951 -13.591 1.00 31.43 C ATOM 537 O GLY A 35 17.648 -3.938 -13.149 1.00 32.50 O ATOM 0 H GLY A 35 17.458 -0.217 -14.366 1.00 22.41 H new ATOM 0 HA2 GLY A 35 18.115 -1.469 -12.467 1.00 53.12 H new ATOM 0 HA3 GLY A 35 16.439 -1.666 -11.996 1.00 53.12 H new ATOM 541 N LEU A 36 16.350 -2.975 -14.715 1.00 25.22 N ATOM 542 CA LEU A 36 16.223 -4.190 -15.513 1.00 41.40 C ATOM 543 C LEU A 36 17.594 -4.723 -15.916 1.00 42.42 C ATOM 544 O LEU A 36 18.618 -4.088 -15.662 1.00 20.14 O ATOM 545 CB LEU A 36 15.382 -3.917 -16.761 1.00 70.13 C ATOM 546 CG LEU A 36 14.076 -3.155 -16.537 1.00 54.31 C ATOM 547 CD1 LEU A 36 13.285 -3.057 -17.833 1.00 23.42 C ATOM 548 CD2 LEU A 36 13.245 -3.826 -15.453 1.00 24.40 C ATOM 0 H LEU A 36 15.855 -2.168 -15.094 1.00 25.22 H new ATOM 0 HA LEU A 36 15.725 -4.945 -14.904 1.00 41.40 H new ATOM 0 HB2 LEU A 36 15.991 -3.354 -17.469 1.00 70.13 H new ATOM 0 HB3 LEU A 36 15.146 -4.871 -17.232 1.00 70.13 H new ATOM 0 HG LEU A 36 14.320 -2.145 -16.207 1.00 54.31 H new ATOM 0 HD11 LEU A 36 12.359 -2.511 -17.654 1.00 23.42 H new ATOM 0 HD12 LEU A 36 13.877 -2.531 -18.582 1.00 23.42 H new ATOM 0 HD13 LEU A 36 13.052 -4.059 -18.194 1.00 23.42 H new ATOM 0 HD21 LEU A 36 12.319 -3.269 -15.307 1.00 24.40 H new ATOM 0 HD22 LEU A 36 13.011 -4.847 -15.754 1.00 24.40 H new ATOM 0 HD23 LEU A 36 13.809 -3.843 -14.520 1.00 24.40 H new ATOM 560 N VAL A 37 17.606 -5.892 -16.549 1.00 5.42 N ATOM 561 CA VAL A 37 18.851 -6.509 -16.991 1.00 3.33 C ATOM 562 C VAL A 37 18.704 -7.104 -18.386 1.00 63.44 C ATOM 563 O VAL A 37 17.593 -7.268 -18.889 1.00 44.42 O ATOM 564 CB VAL A 37 19.306 -7.613 -16.018 1.00 63.24 C ATOM 565 CG1 VAL A 37 19.454 -7.058 -14.610 1.00 42.52 C ATOM 566 CG2 VAL A 37 18.328 -8.778 -16.041 1.00 23.22 C ATOM 0 H VAL A 37 16.768 -6.431 -16.767 1.00 5.42 H new ATOM 0 HA VAL A 37 19.605 -5.722 -17.013 1.00 3.33 H new ATOM 0 HB VAL A 37 20.280 -7.979 -16.341 1.00 63.24 H new ATOM 0 HG11 VAL A 37 19.776 -7.853 -13.937 1.00 42.52 H new ATOM 0 HG12 VAL A 37 20.196 -6.260 -14.610 1.00 42.52 H new ATOM 0 HG13 VAL A 37 18.496 -6.663 -14.272 1.00 42.52 H new ATOM 0 HG21 VAL A 37 18.664 -9.549 -15.348 1.00 23.22 H new ATOM 0 HG22 VAL A 37 17.339 -8.429 -15.743 1.00 23.22 H new ATOM 0 HG23 VAL A 37 18.279 -9.192 -17.048 1.00 23.22 H new ATOM 576 N GLY A 38 19.834 -7.428 -19.008 1.00 23.31 N ATOM 577 CA GLY A 38 19.810 -8.003 -20.340 1.00 74.02 C ATOM 578 C GLY A 38 21.130 -7.839 -21.067 1.00 54.21 C ATOM 579 O GLY A 38 22.190 -8.129 -20.514 1.00 4.10 O ATOM 0 H GLY A 38 20.766 -7.302 -18.613 1.00 23.31 H new ATOM 0 HA2 GLY A 38 19.567 -9.063 -20.270 1.00 74.02 H new ATOM 0 HA3 GLY A 38 19.018 -7.532 -20.921 1.00 74.02 H new ATOM 583 N TRP A 39 21.065 -7.374 -22.309 1.00 71.25 N ATOM 584 CA TRP A 39 22.265 -7.174 -23.114 1.00 0.22 C ATOM 585 C TRP A 39 21.925 -6.506 -24.442 1.00 2.25 C ATOM 586 O TRP A 39 20.854 -6.730 -25.004 1.00 74.43 O ATOM 587 CB TRP A 39 22.964 -8.511 -23.365 1.00 43.45 C ATOM 588 CG TRP A 39 22.170 -9.443 -24.228 1.00 73.45 C ATOM 589 CD1 TRP A 39 22.036 -9.390 -25.587 1.00 23.24 C ATOM 590 CD2 TRP A 39 21.398 -10.567 -23.791 1.00 75.02 C ATOM 591 NE1 TRP A 39 21.228 -10.413 -26.020 1.00 34.10 N ATOM 592 CE2 TRP A 39 20.824 -11.150 -24.938 1.00 54.31 C ATOM 593 CE3 TRP A 39 21.137 -11.139 -22.543 1.00 52.11 C ATOM 594 CZ2 TRP A 39 20.005 -12.274 -24.871 1.00 61.02 C ATOM 595 CZ3 TRP A 39 20.324 -12.255 -22.478 1.00 51.53 C ATOM 596 CH2 TRP A 39 19.767 -12.813 -23.636 1.00 75.12 C ATOM 0 H TRP A 39 20.195 -7.128 -22.781 1.00 71.25 H new ATOM 0 HA TRP A 39 22.938 -6.518 -22.561 1.00 0.22 H new ATOM 0 HB2 TRP A 39 23.930 -8.325 -23.836 1.00 43.45 H new ATOM 0 HB3 TRP A 39 23.163 -8.994 -22.408 1.00 43.45 H new ATOM 0 HD1 TRP A 39 22.498 -8.652 -26.227 1.00 23.24 H new ATOM 0 HE1 TRP A 39 20.970 -10.595 -26.990 1.00 34.10 H new ATOM 0 HE3 TRP A 39 21.563 -10.717 -21.645 1.00 52.11 H new ATOM 0 HZ2 TRP A 39 19.573 -12.705 -25.762 1.00 61.02 H new ATOM 0 HZ3 TRP A 39 20.115 -12.704 -21.518 1.00 51.53 H new ATOM 0 HH2 TRP A 39 19.137 -13.686 -23.552 1.00 75.12 H new ATOM 607 N VAL A 40 22.844 -5.684 -24.938 1.00 4.20 N ATOM 608 CA VAL A 40 22.642 -4.984 -26.201 1.00 60.10 C ATOM 609 C VAL A 40 23.828 -5.186 -27.137 1.00 42.22 C ATOM 610 O VAL A 40 24.982 -5.147 -26.710 1.00 14.31 O ATOM 611 CB VAL A 40 22.428 -3.475 -25.979 1.00 4.03 C ATOM 612 CG1 VAL A 40 23.592 -2.880 -25.201 1.00 0.33 C ATOM 613 CG2 VAL A 40 22.246 -2.761 -27.310 1.00 35.43 C ATOM 0 H VAL A 40 23.736 -5.486 -24.484 1.00 4.20 H new ATOM 0 HA VAL A 40 21.747 -5.407 -26.657 1.00 60.10 H new ATOM 0 HB VAL A 40 21.520 -3.337 -25.392 1.00 4.03 H new ATOM 0 HG11 VAL A 40 23.424 -1.813 -25.054 1.00 0.33 H new ATOM 0 HG12 VAL A 40 23.671 -3.372 -24.232 1.00 0.33 H new ATOM 0 HG13 VAL A 40 24.516 -3.028 -25.760 1.00 0.33 H new ATOM 0 HG21 VAL A 40 22.096 -1.696 -27.134 1.00 35.43 H new ATOM 0 HG22 VAL A 40 23.134 -2.906 -27.925 1.00 35.43 H new ATOM 0 HG23 VAL A 40 21.377 -3.169 -27.826 1.00 35.43 H new ATOM 623 N GLN A 41 23.536 -5.401 -28.416 1.00 30.12 N ATOM 624 CA GLN A 41 24.579 -5.609 -29.413 1.00 24.22 C ATOM 625 C GLN A 41 24.020 -5.466 -30.824 1.00 72.34 C ATOM 626 O GLN A 41 22.874 -5.829 -31.088 1.00 24.41 O ATOM 627 CB GLN A 41 25.211 -6.991 -29.239 1.00 65.34 C ATOM 628 CG GLN A 41 26.626 -7.087 -29.789 1.00 54.10 C ATOM 629 CD GLN A 41 27.072 -8.519 -30.005 1.00 22.42 C ATOM 630 OE1 GLN A 41 26.486 -9.454 -29.458 1.00 54.21 O ATOM 631 NE2 GLN A 41 28.116 -8.700 -30.806 1.00 20.15 N ATOM 0 H GLN A 41 22.586 -5.436 -28.786 1.00 30.12 H new ATOM 0 HA GLN A 41 25.344 -4.846 -29.267 1.00 24.22 H new ATOM 0 HB2 GLN A 41 25.224 -7.244 -28.179 1.00 65.34 H new ATOM 0 HB3 GLN A 41 24.586 -7.733 -29.736 1.00 65.34 H new ATOM 0 HG2 GLN A 41 26.682 -6.547 -30.734 1.00 54.10 H new ATOM 0 HG3 GLN A 41 27.314 -6.596 -29.100 1.00 54.10 H new ATOM 0 HE21 GLN A 41 28.572 -7.897 -31.239 1.00 20.15 H new ATOM 0 HE22 GLN A 41 28.462 -9.642 -30.988 1.00 20.15 H new ATOM 640 N ASN A 42 24.836 -4.935 -31.728 1.00 44.43 N ATOM 641 CA ASN A 42 24.422 -4.743 -33.113 1.00 42.24 C ATOM 642 C ASN A 42 24.929 -5.880 -33.995 1.00 74.31 C ATOM 643 O ASN A 42 26.101 -6.254 -33.934 1.00 54.04 O ATOM 644 CB ASN A 42 24.940 -3.404 -33.642 1.00 2.43 C ATOM 645 CG ASN A 42 26.447 -3.392 -33.810 1.00 63.51 C ATOM 646 OD1 ASN A 42 27.192 -3.383 -32.830 1.00 65.42 O ATOM 647 ND2 ASN A 42 26.903 -3.393 -35.057 1.00 40.24 N ATOM 0 H ASN A 42 25.788 -4.630 -31.526 1.00 44.43 H new ATOM 0 HA ASN A 42 23.332 -4.741 -33.143 1.00 42.24 H new ATOM 0 HB2 ASN A 42 24.469 -3.189 -34.601 1.00 2.43 H new ATOM 0 HB3 ASN A 42 24.647 -2.608 -32.957 1.00 2.43 H new ATOM 0 HD21 ASN A 42 27.908 -3.386 -35.233 1.00 40.24 H new ATOM 0 HD22 ASN A 42 26.249 -3.401 -35.839 1.00 40.24 H new ATOM 654 N THR A 43 24.037 -6.428 -34.816 1.00 3.42 N ATOM 655 CA THR A 43 24.393 -7.522 -35.710 1.00 33.42 C ATOM 656 C THR A 43 24.927 -6.997 -37.037 1.00 54.14 C ATOM 657 O THR A 43 24.916 -5.792 -37.288 1.00 43.41 O ATOM 658 CB THR A 43 23.186 -8.440 -35.982 1.00 12.11 C ATOM 659 OG1 THR A 43 22.204 -7.742 -36.756 1.00 42.41 O ATOM 660 CG2 THR A 43 22.565 -8.918 -34.678 1.00 55.11 C ATOM 0 H THR A 43 23.063 -6.131 -34.879 1.00 3.42 H new ATOM 0 HA THR A 43 25.173 -8.097 -35.211 1.00 33.42 H new ATOM 0 HB THR A 43 23.537 -9.309 -36.539 1.00 12.11 H new ATOM 0 HG1 THR A 43 21.360 -7.707 -36.259 1.00 42.41 H new ATOM 0 HG21 THR A 43 21.715 -9.565 -34.895 1.00 55.11 H new ATOM 0 HG22 THR A 43 23.306 -9.474 -34.104 1.00 55.11 H new ATOM 0 HG23 THR A 43 22.228 -8.058 -34.099 1.00 55.11 H new ATOM 668 N ASP A 44 25.392 -7.908 -37.885 1.00 11.02 N ATOM 669 CA ASP A 44 25.929 -7.536 -39.189 1.00 13.03 C ATOM 670 C ASP A 44 24.804 -7.296 -40.191 1.00 11.21 C ATOM 671 O ASP A 44 24.925 -6.459 -41.086 1.00 12.14 O ATOM 672 CB ASP A 44 26.867 -8.627 -39.708 1.00 12.32 C ATOM 673 CG ASP A 44 27.909 -8.086 -40.666 1.00 44.42 C ATOM 674 OD1 ASP A 44 27.537 -7.709 -41.797 1.00 13.54 O ATOM 675 OD2 ASP A 44 29.098 -8.040 -40.286 1.00 44.01 O ATOM 0 H ASP A 44 25.408 -8.910 -37.693 1.00 11.02 H new ATOM 0 HA ASP A 44 26.491 -6.610 -39.072 1.00 13.03 H new ATOM 0 HB2 ASP A 44 27.366 -9.105 -38.865 1.00 12.32 H new ATOM 0 HB3 ASP A 44 26.281 -9.397 -40.210 1.00 12.32 H new ATOM 680 N ARG A 45 23.711 -8.036 -40.035 1.00 22.00 N ATOM 681 CA ARG A 45 22.566 -7.905 -40.928 1.00 31.15 C ATOM 682 C ARG A 45 22.081 -6.459 -40.982 1.00 25.22 C ATOM 683 O ARG A 45 21.895 -5.896 -42.060 1.00 32.43 O ATOM 684 CB ARG A 45 21.428 -8.819 -40.469 1.00 12.42 C ATOM 685 CG ARG A 45 20.161 -8.676 -41.297 1.00 1.04 C ATOM 686 CD ARG A 45 20.363 -9.183 -42.716 1.00 31.41 C ATOM 687 NE ARG A 45 19.217 -8.888 -43.571 1.00 53.52 N ATOM 688 CZ ARG A 45 19.227 -9.036 -44.891 1.00 72.51 C ATOM 689 NH1 ARG A 45 20.318 -9.476 -45.504 1.00 14.23 N ATOM 690 NH2 ARG A 45 18.144 -8.746 -45.601 1.00 60.31 N ATOM 0 H ARG A 45 23.594 -8.732 -39.299 1.00 22.00 H new ATOM 0 HA ARG A 45 22.881 -8.202 -41.928 1.00 31.15 H new ATOM 0 HB2 ARG A 45 21.765 -9.855 -40.512 1.00 12.42 H new ATOM 0 HB3 ARG A 45 21.197 -8.602 -39.426 1.00 12.42 H new ATOM 0 HG2 ARG A 45 19.351 -9.230 -40.823 1.00 1.04 H new ATOM 0 HG3 ARG A 45 19.858 -7.629 -41.323 1.00 1.04 H new ATOM 0 HD2 ARG A 45 21.258 -8.727 -43.140 1.00 31.41 H new ATOM 0 HD3 ARG A 45 20.532 -10.260 -42.696 1.00 31.41 H new ATOM 0 HE ARG A 45 18.362 -8.550 -43.130 1.00 53.52 H new ATOM 0 HH11 ARG A 45 21.152 -9.702 -44.962 1.00 14.23 H new ATOM 0 HH12 ARG A 45 20.323 -9.589 -46.518 1.00 14.23 H new ATOM 0 HH21 ARG A 45 17.303 -8.409 -45.133 1.00 60.31 H new ATOM 0 HH22 ARG A 45 18.153 -8.860 -46.615 1.00 60.31 H new ATOM 704 N GLY A 46 21.879 -5.864 -39.810 1.00 42.43 N ATOM 705 CA GLY A 46 21.418 -4.489 -39.747 1.00 33.23 C ATOM 706 C GLY A 46 20.402 -4.269 -38.644 1.00 33.24 C ATOM 707 O GLY A 46 19.401 -3.578 -38.838 1.00 45.54 O ATOM 0 H GLY A 46 22.026 -6.309 -38.904 1.00 42.43 H new ATOM 0 HA2 GLY A 46 22.271 -3.830 -39.588 1.00 33.23 H new ATOM 0 HA3 GLY A 46 20.976 -4.213 -40.704 1.00 33.23 H new ATOM 711 N THR A 47 20.656 -4.860 -37.480 1.00 70.42 N ATOM 712 CA THR A 47 19.755 -4.728 -36.343 1.00 33.24 C ATOM 713 C THR A 47 20.522 -4.769 -35.026 1.00 33.11 C ATOM 714 O THR A 47 21.750 -4.851 -35.014 1.00 20.05 O ATOM 715 CB THR A 47 18.689 -5.841 -36.338 1.00 2.53 C ATOM 716 OG1 THR A 47 19.307 -7.110 -36.097 1.00 41.30 O ATOM 717 CG2 THR A 47 17.940 -5.878 -37.661 1.00 63.33 C ATOM 0 H THR A 47 21.479 -5.435 -37.301 1.00 70.42 H new ATOM 0 HA THR A 47 19.260 -3.762 -36.443 1.00 33.24 H new ATOM 0 HB THR A 47 17.976 -5.628 -35.541 1.00 2.53 H new ATOM 0 HG1 THR A 47 18.712 -7.827 -36.402 1.00 41.30 H new ATOM 0 HG21 THR A 47 17.193 -6.671 -37.634 1.00 63.33 H new ATOM 0 HG22 THR A 47 17.447 -4.920 -37.827 1.00 63.33 H new ATOM 0 HG23 THR A 47 18.643 -6.069 -38.472 1.00 63.33 H new ATOM 725 N VAL A 48 19.790 -4.712 -33.918 1.00 34.22 N ATOM 726 CA VAL A 48 20.401 -4.745 -32.595 1.00 4.32 C ATOM 727 C VAL A 48 19.660 -5.704 -31.670 1.00 3.20 C ATOM 728 O VAL A 48 18.565 -5.402 -31.196 1.00 63.14 O ATOM 729 CB VAL A 48 20.425 -3.345 -31.953 1.00 13.14 C ATOM 730 CG1 VAL A 48 21.076 -3.398 -30.579 1.00 33.21 C ATOM 731 CG2 VAL A 48 21.147 -2.357 -32.856 1.00 0.20 C ATOM 0 H VAL A 48 18.772 -4.643 -33.911 1.00 34.22 H new ATOM 0 HA VAL A 48 21.425 -5.093 -32.728 1.00 4.32 H new ATOM 0 HB VAL A 48 19.397 -3.004 -31.829 1.00 13.14 H new ATOM 0 HG11 VAL A 48 21.084 -2.400 -30.141 1.00 33.21 H new ATOM 0 HG12 VAL A 48 20.512 -4.072 -29.935 1.00 33.21 H new ATOM 0 HG13 VAL A 48 22.100 -3.760 -30.675 1.00 33.21 H new ATOM 0 HG21 VAL A 48 21.154 -1.373 -32.387 1.00 0.20 H new ATOM 0 HG22 VAL A 48 22.172 -2.691 -33.014 1.00 0.20 H new ATOM 0 HG23 VAL A 48 20.632 -2.298 -33.815 1.00 0.20 H new ATOM 741 N GLN A 49 20.266 -6.860 -31.417 1.00 54.23 N ATOM 742 CA GLN A 49 19.662 -7.864 -30.549 1.00 2.43 C ATOM 743 C GLN A 49 19.562 -7.353 -29.115 1.00 20.41 C ATOM 744 O GLN A 49 20.501 -7.485 -28.331 1.00 63.34 O ATOM 745 CB GLN A 49 20.477 -9.157 -30.586 1.00 62.55 C ATOM 746 CG GLN A 49 20.410 -9.880 -31.922 1.00 41.03 C ATOM 747 CD GLN A 49 21.286 -11.117 -31.961 1.00 52.14 C ATOM 748 OE1 GLN A 49 22.136 -11.317 -31.094 1.00 23.22 O ATOM 749 NE2 GLN A 49 21.082 -11.955 -32.971 1.00 31.22 N ATOM 0 H GLN A 49 21.174 -7.124 -31.800 1.00 54.23 H new ATOM 0 HA GLN A 49 18.655 -8.067 -30.915 1.00 2.43 H new ATOM 0 HB2 GLN A 49 21.518 -8.927 -30.358 1.00 62.55 H new ATOM 0 HB3 GLN A 49 20.119 -9.825 -29.802 1.00 62.55 H new ATOM 0 HG2 GLN A 49 19.378 -10.164 -32.126 1.00 41.03 H new ATOM 0 HG3 GLN A 49 20.715 -9.198 -32.716 1.00 41.03 H new ATOM 0 HE21 GLN A 49 20.366 -11.749 -33.668 1.00 31.22 H new ATOM 0 HE22 GLN A 49 21.641 -12.804 -33.050 1.00 31.22 H new ATOM 758 N GLY A 50 18.416 -6.769 -28.778 1.00 71.43 N ATOM 759 CA GLY A 50 18.214 -6.248 -27.439 1.00 44.32 C ATOM 760 C GLY A 50 17.287 -7.116 -26.612 1.00 53.43 C ATOM 761 O GLY A 50 16.222 -7.521 -27.079 1.00 51.55 O ATOM 0 H GLY A 50 17.624 -6.648 -29.409 1.00 71.43 H new ATOM 0 HA2 GLY A 50 19.177 -6.168 -26.935 1.00 44.32 H new ATOM 0 HA3 GLY A 50 17.803 -5.241 -27.503 1.00 44.32 H new ATOM 765 N LYS A 51 17.691 -7.404 -25.380 1.00 20.30 N ATOM 766 CA LYS A 51 16.889 -8.230 -24.485 1.00 24.30 C ATOM 767 C LYS A 51 16.354 -7.407 -23.318 1.00 53.32 C ATOM 768 O LYS A 51 17.002 -6.464 -22.861 1.00 73.21 O ATOM 769 CB LYS A 51 17.721 -9.402 -23.957 1.00 11.40 C ATOM 770 CG LYS A 51 17.033 -10.187 -22.853 1.00 44.14 C ATOM 771 CD LYS A 51 15.771 -10.866 -23.356 1.00 35.10 C ATOM 772 CE LYS A 51 16.012 -12.337 -23.660 1.00 12.23 C ATOM 773 NZ LYS A 51 16.076 -13.156 -22.418 1.00 74.40 N ATOM 0 H LYS A 51 18.570 -7.078 -24.978 1.00 20.30 H new ATOM 0 HA LYS A 51 16.042 -8.619 -25.051 1.00 24.30 H new ATOM 0 HB2 LYS A 51 17.949 -10.076 -24.783 1.00 11.40 H new ATOM 0 HB3 LYS A 51 18.672 -9.022 -23.583 1.00 11.40 H new ATOM 0 HG2 LYS A 51 17.718 -10.937 -22.457 1.00 44.14 H new ATOM 0 HG3 LYS A 51 16.784 -9.517 -22.030 1.00 44.14 H new ATOM 0 HD2 LYS A 51 14.984 -10.772 -22.608 1.00 35.10 H new ATOM 0 HD3 LYS A 51 15.418 -10.361 -24.255 1.00 35.10 H new ATOM 0 HE2 LYS A 51 15.214 -12.711 -24.301 1.00 12.23 H new ATOM 0 HE3 LYS A 51 16.944 -12.445 -24.215 1.00 12.23 H new ATOM 0 HZ1 LYS A 51 15.486 -14.005 -22.531 1.00 74.40 H new ATOM 0 HZ2 LYS A 51 17.060 -13.440 -22.240 1.00 74.40 H new ATOM 0 HZ3 LYS A 51 15.727 -12.596 -21.614 1.00 74.40 H new ATOM 787 N LEU A 52 15.169 -7.769 -22.840 1.00 15.44 N ATOM 788 CA LEU A 52 14.546 -7.064 -21.724 1.00 42.21 C ATOM 789 C LEU A 52 14.126 -8.040 -20.630 1.00 14.30 C ATOM 790 O LEU A 52 13.001 -8.540 -20.631 1.00 64.52 O ATOM 791 CB LEU A 52 13.332 -6.270 -22.210 1.00 60.52 C ATOM 792 CG LEU A 52 13.626 -5.103 -23.153 1.00 65.54 C ATOM 793 CD1 LEU A 52 12.348 -4.350 -23.485 1.00 0.50 C ATOM 794 CD2 LEU A 52 14.656 -4.167 -22.538 1.00 12.11 C ATOM 0 H LEU A 52 14.620 -8.546 -23.207 1.00 15.44 H new ATOM 0 HA LEU A 52 15.280 -6.374 -21.307 1.00 42.21 H new ATOM 0 HB2 LEU A 52 12.653 -6.957 -22.715 1.00 60.52 H new ATOM 0 HB3 LEU A 52 12.804 -5.883 -21.339 1.00 60.52 H new ATOM 0 HG LEU A 52 14.037 -5.504 -24.079 1.00 65.54 H new ATOM 0 HD11 LEU A 52 12.577 -3.523 -24.157 1.00 0.50 H new ATOM 0 HD12 LEU A 52 11.643 -5.026 -23.969 1.00 0.50 H new ATOM 0 HD13 LEU A 52 11.907 -3.960 -22.568 1.00 0.50 H new ATOM 0 HD21 LEU A 52 14.853 -3.342 -23.223 1.00 12.11 H new ATOM 0 HD22 LEU A 52 14.273 -3.773 -21.596 1.00 12.11 H new ATOM 0 HD23 LEU A 52 15.580 -4.714 -22.353 1.00 12.11 H new ATOM 806 N GLN A 53 15.035 -8.303 -19.697 1.00 41.13 N ATOM 807 CA GLN A 53 14.757 -9.218 -18.596 1.00 40.34 C ATOM 808 C GLN A 53 14.400 -8.450 -17.328 1.00 33.21 C ATOM 809 O GLN A 53 15.212 -7.693 -16.799 1.00 23.13 O ATOM 810 CB GLN A 53 15.965 -10.120 -18.338 1.00 11.13 C ATOM 811 CG GLN A 53 16.278 -11.062 -19.489 1.00 4.11 C ATOM 812 CD GLN A 53 17.676 -11.643 -19.404 1.00 1.33 C ATOM 813 OE1 GLN A 53 18.636 -10.938 -19.090 1.00 53.32 O ATOM 814 NE2 GLN A 53 17.798 -12.935 -19.683 1.00 25.11 N ATOM 0 H GLN A 53 15.970 -7.896 -19.681 1.00 41.13 H new ATOM 0 HA GLN A 53 13.904 -9.837 -18.876 1.00 40.34 H new ATOM 0 HB2 GLN A 53 16.838 -9.497 -18.142 1.00 11.13 H new ATOM 0 HB3 GLN A 53 15.784 -10.707 -17.438 1.00 11.13 H new ATOM 0 HG2 GLN A 53 15.551 -11.874 -19.497 1.00 4.11 H new ATOM 0 HG3 GLN A 53 16.168 -10.527 -20.432 1.00 4.11 H new ATOM 0 HE21 GLN A 53 16.976 -13.481 -19.939 1.00 25.11 H new ATOM 0 HE22 GLN A 53 18.714 -13.381 -19.642 1.00 25.11 H new ATOM 823 N GLY A 54 13.177 -8.651 -16.845 1.00 22.01 N ATOM 824 CA GLY A 54 12.734 -7.970 -15.642 1.00 73.34 C ATOM 825 C GLY A 54 11.223 -7.902 -15.539 1.00 11.51 C ATOM 826 O GLY A 54 10.497 -8.505 -16.330 1.00 1.53 O ATOM 0 H GLY A 54 12.486 -9.273 -17.265 1.00 22.01 H new ATOM 0 HA2 GLY A 54 13.132 -8.486 -14.768 1.00 73.34 H new ATOM 0 HA3 GLY A 54 13.142 -6.959 -15.629 1.00 73.34 H new ATOM 830 N PRO A 55 10.728 -7.153 -14.542 1.00 53.45 N ATOM 831 CA PRO A 55 9.289 -6.991 -14.314 1.00 12.51 C ATOM 832 C PRO A 55 8.619 -6.159 -15.403 1.00 31.41 C ATOM 833 O PRO A 55 9.117 -5.099 -15.782 1.00 20.00 O ATOM 834 CB PRO A 55 9.223 -6.262 -12.969 1.00 60.50 C ATOM 835 CG PRO A 55 10.522 -5.540 -12.866 1.00 13.24 C ATOM 836 CD PRO A 55 11.534 -6.406 -13.562 1.00 62.04 C ATOM 0 HA PRO A 55 8.765 -7.947 -14.323 1.00 12.51 H new ATOM 0 HB2 PRO A 55 8.382 -5.570 -12.935 1.00 60.50 H new ATOM 0 HB3 PRO A 55 9.093 -6.963 -12.145 1.00 60.50 H new ATOM 0 HG2 PRO A 55 10.461 -4.558 -13.335 1.00 13.24 H new ATOM 0 HG3 PRO A 55 10.797 -5.379 -11.824 1.00 13.24 H new ATOM 0 HD2 PRO A 55 12.306 -5.810 -14.048 1.00 62.04 H new ATOM 0 HD3 PRO A 55 12.039 -7.074 -12.864 1.00 62.04 H new ATOM 844 N ILE A 56 7.488 -6.647 -15.901 1.00 71.13 N ATOM 845 CA ILE A 56 6.750 -5.948 -16.946 1.00 13.34 C ATOM 846 C ILE A 56 6.449 -4.510 -16.537 1.00 41.42 C ATOM 847 O ILE A 56 6.349 -3.621 -17.383 1.00 60.13 O ATOM 848 CB ILE A 56 5.426 -6.663 -17.275 1.00 63.21 C ATOM 849 CG1 ILE A 56 5.696 -8.102 -17.722 1.00 4.45 C ATOM 850 CG2 ILE A 56 4.667 -5.903 -18.352 1.00 13.54 C ATOM 851 CD1 ILE A 56 4.446 -8.945 -17.831 1.00 34.35 C ATOM 0 H ILE A 56 7.063 -7.523 -15.598 1.00 71.13 H new ATOM 0 HA ILE A 56 7.383 -5.947 -17.833 1.00 13.34 H new ATOM 0 HB ILE A 56 4.812 -6.690 -16.375 1.00 63.21 H new ATOM 0 HG12 ILE A 56 6.199 -8.085 -18.689 1.00 4.45 H new ATOM 0 HG13 ILE A 56 6.380 -8.571 -17.015 1.00 4.45 H new ATOM 0 HG21 ILE A 56 3.734 -6.421 -18.574 1.00 13.54 H new ATOM 0 HG22 ILE A 56 4.448 -4.895 -18.000 1.00 13.54 H new ATOM 0 HG23 ILE A 56 5.275 -5.848 -19.255 1.00 13.54 H new ATOM 0 HD11 ILE A 56 4.713 -9.952 -18.152 1.00 34.35 H new ATOM 0 HD12 ILE A 56 3.953 -8.993 -16.860 1.00 34.35 H new ATOM 0 HD13 ILE A 56 3.769 -8.499 -18.560 1.00 34.35 H new ATOM 863 N SER A 57 6.308 -4.287 -15.234 1.00 72.43 N ATOM 864 CA SER A 57 6.017 -2.957 -14.713 1.00 33.11 C ATOM 865 C SER A 57 7.012 -1.933 -15.251 1.00 33.24 C ATOM 866 O SER A 57 6.684 -0.758 -15.416 1.00 75.11 O ATOM 867 CB SER A 57 6.053 -2.966 -13.183 1.00 64.44 C ATOM 868 OG SER A 57 5.432 -1.809 -12.651 1.00 71.43 O ATOM 0 H SER A 57 6.391 -5.011 -14.520 1.00 72.43 H new ATOM 0 HA SER A 57 5.017 -2.675 -15.044 1.00 33.11 H new ATOM 0 HB2 SER A 57 5.549 -3.857 -12.810 1.00 64.44 H new ATOM 0 HB3 SER A 57 7.087 -3.018 -12.841 1.00 64.44 H new ATOM 0 HG SER A 57 5.467 -1.840 -11.672 1.00 71.43 H new ATOM 874 N LYS A 58 8.230 -2.388 -15.522 1.00 4.22 N ATOM 875 CA LYS A 58 9.275 -1.514 -16.042 1.00 63.11 C ATOM 876 C LYS A 58 9.446 -1.705 -17.546 1.00 33.43 C ATOM 877 O LYS A 58 9.614 -0.739 -18.290 1.00 12.15 O ATOM 878 CB LYS A 58 10.601 -1.789 -15.329 1.00 31.33 C ATOM 879 CG LYS A 58 10.812 -0.940 -14.087 1.00 54.45 C ATOM 880 CD LYS A 58 10.234 -1.607 -12.850 1.00 42.14 C ATOM 881 CE LYS A 58 10.330 -0.701 -11.632 1.00 50.14 C ATOM 882 NZ LYS A 58 9.840 -1.376 -10.399 1.00 23.21 N ATOM 0 H LYS A 58 8.518 -3.357 -15.390 1.00 4.22 H new ATOM 0 HA LYS A 58 8.976 -0.482 -15.856 1.00 63.11 H new ATOM 0 HB2 LYS A 58 10.642 -2.842 -15.050 1.00 31.33 H new ATOM 0 HB3 LYS A 58 11.421 -1.611 -16.024 1.00 31.33 H new ATOM 0 HG2 LYS A 58 11.878 -0.764 -13.942 1.00 54.45 H new ATOM 0 HG3 LYS A 58 10.345 0.035 -14.228 1.00 54.45 H new ATOM 0 HD2 LYS A 58 9.191 -1.868 -13.030 1.00 42.14 H new ATOM 0 HD3 LYS A 58 10.766 -2.538 -12.655 1.00 42.14 H new ATOM 0 HE2 LYS A 58 11.366 -0.392 -11.490 1.00 50.14 H new ATOM 0 HE3 LYS A 58 9.748 0.204 -11.806 1.00 50.14 H new ATOM 0 HZ1 LYS A 58 9.922 -0.726 -9.591 1.00 23.21 H new ATOM 0 HZ2 LYS A 58 8.844 -1.648 -10.525 1.00 23.21 H new ATOM 0 HZ3 LYS A 58 10.411 -2.226 -10.218 1.00 23.21 H new ATOM 896 N VAL A 59 9.400 -2.958 -17.987 1.00 71.43 N ATOM 897 CA VAL A 59 9.547 -3.276 -19.403 1.00 13.13 C ATOM 898 C VAL A 59 8.536 -2.507 -20.246 1.00 43.42 C ATOM 899 O VAL A 59 8.799 -2.181 -21.404 1.00 1.51 O ATOM 900 CB VAL A 59 9.371 -4.784 -19.661 1.00 25.34 C ATOM 901 CG1 VAL A 59 9.499 -5.091 -21.145 1.00 41.20 C ATOM 902 CG2 VAL A 59 10.384 -5.583 -18.854 1.00 33.41 C ATOM 0 H VAL A 59 9.262 -3.769 -17.385 1.00 71.43 H new ATOM 0 HA VAL A 59 10.556 -2.981 -19.691 1.00 13.13 H new ATOM 0 HB VAL A 59 8.371 -5.076 -19.339 1.00 25.34 H new ATOM 0 HG11 VAL A 59 9.372 -6.161 -21.307 1.00 41.20 H new ATOM 0 HG12 VAL A 59 8.733 -4.547 -21.697 1.00 41.20 H new ATOM 0 HG13 VAL A 59 10.485 -4.785 -21.496 1.00 41.20 H new ATOM 0 HG21 VAL A 59 10.246 -6.647 -19.048 1.00 33.41 H new ATOM 0 HG22 VAL A 59 11.393 -5.289 -19.144 1.00 33.41 H new ATOM 0 HG23 VAL A 59 10.240 -5.386 -17.792 1.00 33.41 H new ATOM 912 N ARG A 60 7.380 -2.219 -19.658 1.00 52.10 N ATOM 913 CA ARG A 60 6.329 -1.488 -20.356 1.00 32.03 C ATOM 914 C ARG A 60 6.826 -0.117 -20.804 1.00 13.44 C ATOM 915 O ARG A 60 6.324 0.449 -21.774 1.00 74.02 O ATOM 916 CB ARG A 60 5.104 -1.329 -19.453 1.00 53.35 C ATOM 917 CG ARG A 60 4.288 -2.602 -19.304 1.00 30.44 C ATOM 918 CD ARG A 60 3.215 -2.706 -20.376 1.00 70.22 C ATOM 919 NE ARG A 60 2.185 -1.683 -20.221 1.00 13.15 N ATOM 920 CZ ARG A 60 1.079 -1.635 -20.956 1.00 23.24 C ATOM 921 NH1 ARG A 60 0.862 -2.548 -21.892 1.00 31.41 N ATOM 922 NH2 ARG A 60 0.188 -0.673 -20.754 1.00 42.23 N ATOM 0 H ARG A 60 7.147 -2.481 -18.700 1.00 52.10 H new ATOM 0 HA ARG A 60 6.048 -2.060 -21.240 1.00 32.03 H new ATOM 0 HB2 ARG A 60 5.431 -0.999 -18.467 1.00 53.35 H new ATOM 0 HB3 ARG A 60 4.465 -0.543 -19.856 1.00 53.35 H new ATOM 0 HG2 ARG A 60 4.948 -3.467 -19.364 1.00 30.44 H new ATOM 0 HG3 ARG A 60 3.822 -2.624 -18.319 1.00 30.44 H new ATOM 0 HD2 ARG A 60 3.675 -2.611 -21.360 1.00 70.22 H new ATOM 0 HD3 ARG A 60 2.755 -3.693 -20.333 1.00 70.22 H new ATOM 0 HE ARG A 60 2.322 -0.965 -19.509 1.00 13.15 H new ATOM 0 HH11 ARG A 60 1.545 -3.289 -22.049 1.00 31.41 H new ATOM 0 HH12 ARG A 60 0.012 -2.509 -22.455 1.00 31.41 H new ATOM 0 HH21 ARG A 60 0.352 0.031 -20.034 1.00 42.23 H new ATOM 0 HH22 ARG A 60 -0.661 -0.637 -21.319 1.00 42.23 H new ATOM 936 N GLU A 61 7.814 0.411 -20.089 1.00 5.42 N ATOM 937 CA GLU A 61 8.378 1.717 -20.413 1.00 35.14 C ATOM 938 C GLU A 61 9.646 1.570 -21.248 1.00 51.33 C ATOM 939 O GLU A 61 9.922 2.389 -22.125 1.00 22.32 O ATOM 940 CB GLU A 61 8.684 2.496 -19.132 1.00 45.52 C ATOM 941 CG GLU A 61 7.562 2.453 -18.109 1.00 52.13 C ATOM 942 CD GLU A 61 6.301 3.141 -18.597 1.00 5.03 C ATOM 943 OE1 GLU A 61 6.392 4.308 -19.031 1.00 41.13 O ATOM 944 OE2 GLU A 61 5.224 2.511 -18.544 1.00 2.34 O ATOM 0 H GLU A 61 8.241 -0.045 -19.282 1.00 5.42 H new ATOM 0 HA GLU A 61 7.641 2.268 -20.998 1.00 35.14 H new ATOM 0 HB2 GLU A 61 9.591 2.094 -18.681 1.00 45.52 H new ATOM 0 HB3 GLU A 61 8.890 3.535 -19.389 1.00 45.52 H new ATOM 0 HG2 GLU A 61 7.335 1.415 -17.868 1.00 52.13 H new ATOM 0 HG3 GLU A 61 7.897 2.928 -17.187 1.00 52.13 H new ATOM 951 N MET A 62 10.413 0.522 -20.969 1.00 64.21 N ATOM 952 CA MET A 62 11.652 0.267 -21.695 1.00 43.21 C ATOM 953 C MET A 62 11.364 -0.135 -23.138 1.00 10.00 C ATOM 954 O MET A 62 12.186 0.083 -24.028 1.00 32.33 O ATOM 955 CB MET A 62 12.460 -0.830 -20.999 1.00 40.02 C ATOM 956 CG MET A 62 13.733 -1.209 -21.739 1.00 32.34 C ATOM 957 SD MET A 62 14.836 0.195 -21.988 1.00 21.02 S ATOM 958 CE MET A 62 14.940 0.843 -20.321 1.00 43.55 C ATOM 0 H MET A 62 10.199 -0.165 -20.246 1.00 64.21 H new ATOM 0 HA MET A 62 12.235 1.188 -21.703 1.00 43.21 H new ATOM 0 HB2 MET A 62 12.719 -0.497 -19.994 1.00 40.02 H new ATOM 0 HB3 MET A 62 11.835 -1.716 -20.890 1.00 40.02 H new ATOM 0 HG2 MET A 62 14.257 -1.983 -21.179 1.00 32.34 H new ATOM 0 HG3 MET A 62 13.472 -1.637 -22.707 1.00 32.34 H new ATOM 0 HE1 MET A 62 15.881 1.378 -20.197 1.00 43.55 H new ATOM 0 HE2 MET A 62 14.109 1.525 -20.143 1.00 43.55 H new ATOM 0 HE3 MET A 62 14.893 0.020 -19.607 1.00 43.55 H new ATOM 968 N GLN A 63 10.193 -0.722 -23.361 1.00 72.42 N ATOM 969 CA GLN A 63 9.798 -1.155 -24.696 1.00 61.54 C ATOM 970 C GLN A 63 9.470 0.042 -25.582 1.00 72.11 C ATOM 971 O GLN A 63 9.717 0.022 -26.788 1.00 42.30 O ATOM 972 CB GLN A 63 8.591 -2.092 -24.616 1.00 10.41 C ATOM 973 CG GLN A 63 7.312 -1.398 -24.177 1.00 35.14 C ATOM 974 CD GLN A 63 6.117 -2.332 -24.162 1.00 2.41 C ATOM 975 OE1 GLN A 63 6.269 -3.552 -24.097 1.00 42.21 O ATOM 976 NE2 GLN A 63 4.919 -1.762 -24.222 1.00 3.21 N ATOM 0 H GLN A 63 9.501 -0.909 -22.635 1.00 72.42 H new ATOM 0 HA GLN A 63 10.637 -1.692 -25.139 1.00 61.54 H new ATOM 0 HB2 GLN A 63 8.430 -2.549 -25.593 1.00 10.41 H new ATOM 0 HB3 GLN A 63 8.814 -2.900 -23.919 1.00 10.41 H new ATOM 0 HG2 GLN A 63 7.454 -0.979 -23.181 1.00 35.14 H new ATOM 0 HG3 GLN A 63 7.108 -0.563 -24.847 1.00 35.14 H new ATOM 0 HE21 GLN A 63 4.839 -0.746 -24.275 1.00 3.21 H new ATOM 0 HE22 GLN A 63 4.078 -2.340 -24.215 1.00 3.21 H new ATOM 985 N LYS A 64 8.911 1.084 -24.976 1.00 75.14 N ATOM 986 CA LYS A 64 8.548 2.292 -25.709 1.00 24.52 C ATOM 987 C LYS A 64 9.766 3.186 -25.919 1.00 51.01 C ATOM 988 O LYS A 64 9.852 3.909 -26.911 1.00 42.25 O ATOM 989 CB LYS A 64 7.460 3.062 -24.957 1.00 63.41 C ATOM 990 CG LYS A 64 6.359 3.593 -25.858 1.00 12.02 C ATOM 991 CD LYS A 64 5.437 2.480 -26.328 1.00 1.13 C ATOM 992 CE LYS A 64 4.029 2.994 -26.585 1.00 32.13 C ATOM 993 NZ LYS A 64 3.316 3.316 -25.318 1.00 31.25 N ATOM 0 H LYS A 64 8.699 1.117 -23.979 1.00 75.14 H new ATOM 0 HA LYS A 64 8.165 1.994 -26.685 1.00 24.52 H new ATOM 0 HB2 LYS A 64 7.019 2.409 -24.204 1.00 63.41 H new ATOM 0 HB3 LYS A 64 7.918 3.897 -24.426 1.00 63.41 H new ATOM 0 HG2 LYS A 64 5.780 4.344 -25.322 1.00 12.02 H new ATOM 0 HG3 LYS A 64 6.802 4.089 -26.722 1.00 12.02 H new ATOM 0 HD2 LYS A 64 5.836 2.037 -27.240 1.00 1.13 H new ATOM 0 HD3 LYS A 64 5.406 1.690 -25.577 1.00 1.13 H new ATOM 0 HE2 LYS A 64 4.076 3.885 -27.211 1.00 32.13 H new ATOM 0 HE3 LYS A 64 3.464 2.244 -27.139 1.00 32.13 H new ATOM 0 HZ1 LYS A 64 2.293 3.366 -25.498 1.00 31.25 H new ATOM 0 HZ2 LYS A 64 3.508 2.575 -24.614 1.00 31.25 H new ATOM 0 HZ3 LYS A 64 3.649 4.232 -24.956 1.00 31.25 H new ATOM 1007 N TRP A 65 10.704 3.130 -24.981 1.00 10.44 N ATOM 1008 CA TRP A 65 11.918 3.935 -25.065 1.00 14.12 C ATOM 1009 C TRP A 65 12.884 3.357 -26.093 1.00 13.10 C ATOM 1010 O TRP A 65 13.696 4.080 -26.671 1.00 42.12 O ATOM 1011 CB TRP A 65 12.597 4.015 -23.697 1.00 30.03 C ATOM 1012 CG TRP A 65 12.159 5.196 -22.884 1.00 70.40 C ATOM 1013 CD1 TRP A 65 10.934 5.388 -22.312 1.00 73.14 C ATOM 1014 CD2 TRP A 65 12.943 6.348 -22.555 1.00 31.54 C ATOM 1015 NE1 TRP A 65 10.909 6.590 -21.647 1.00 53.24 N ATOM 1016 CE2 TRP A 65 12.129 7.198 -21.780 1.00 62.52 C ATOM 1017 CE3 TRP A 65 14.253 6.743 -22.837 1.00 22.24 C ATOM 1018 CZ2 TRP A 65 12.585 8.417 -21.287 1.00 54.54 C ATOM 1019 CZ3 TRP A 65 14.704 7.954 -22.347 1.00 74.00 C ATOM 1020 CH2 TRP A 65 13.872 8.779 -21.579 1.00 13.41 C ATOM 0 H TRP A 65 10.648 2.536 -24.154 1.00 10.44 H new ATOM 0 HA TRP A 65 11.637 4.939 -25.382 1.00 14.12 H new ATOM 0 HB2 TRP A 65 12.386 3.102 -23.141 1.00 30.03 H new ATOM 0 HB3 TRP A 65 13.677 4.060 -23.838 1.00 30.03 H new ATOM 0 HD1 TRP A 65 10.107 4.697 -22.373 1.00 73.14 H new ATOM 0 HE1 TRP A 65 10.111 6.968 -21.137 1.00 53.24 H new ATOM 0 HE3 TRP A 65 14.902 6.113 -23.427 1.00 22.24 H new ATOM 0 HZ2 TRP A 65 11.946 9.055 -20.695 1.00 54.54 H new ATOM 0 HZ3 TRP A 65 15.715 8.270 -22.560 1.00 74.00 H new ATOM 0 HH2 TRP A 65 14.254 9.719 -21.210 1.00 13.41 H new ATOM 1031 N LEU A 66 12.791 2.051 -26.317 1.00 53.10 N ATOM 1032 CA LEU A 66 13.657 1.376 -27.277 1.00 22.21 C ATOM 1033 C LEU A 66 12.921 1.119 -28.588 1.00 44.22 C ATOM 1034 O LEU A 66 13.344 0.293 -29.396 1.00 41.01 O ATOM 1035 CB LEU A 66 14.163 0.054 -26.696 1.00 1.43 C ATOM 1036 CG LEU A 66 15.581 0.072 -26.123 1.00 51.02 C ATOM 1037 CD1 LEU A 66 15.850 -1.195 -25.326 1.00 45.22 C ATOM 1038 CD2 LEU A 66 16.604 0.231 -27.238 1.00 63.22 C ATOM 0 H LEU A 66 12.125 1.438 -25.847 1.00 53.10 H new ATOM 0 HA LEU A 66 14.508 2.026 -27.481 1.00 22.21 H new ATOM 0 HB2 LEU A 66 13.478 -0.259 -25.908 1.00 1.43 H new ATOM 0 HB3 LEU A 66 14.118 -0.704 -27.478 1.00 1.43 H new ATOM 0 HG LEU A 66 15.671 0.925 -25.451 1.00 51.02 H new ATOM 0 HD11 LEU A 66 16.863 -1.165 -24.926 1.00 45.22 H new ATOM 0 HD12 LEU A 66 15.137 -1.266 -24.504 1.00 45.22 H new ATOM 0 HD13 LEU A 66 15.742 -2.063 -25.976 1.00 45.22 H new ATOM 0 HD21 LEU A 66 17.607 0.242 -26.812 1.00 63.22 H new ATOM 0 HD22 LEU A 66 16.515 -0.602 -27.935 1.00 63.22 H new ATOM 0 HD23 LEU A 66 16.424 1.167 -27.766 1.00 63.22 H new ATOM 1050 N GLU A 67 11.820 1.835 -28.793 1.00 33.44 N ATOM 1051 CA GLU A 67 11.027 1.684 -30.007 1.00 15.51 C ATOM 1052 C GLU A 67 11.144 2.923 -30.890 1.00 52.40 C ATOM 1053 O GLU A 67 11.421 2.824 -32.086 1.00 3.32 O ATOM 1054 CB GLU A 67 9.559 1.432 -29.656 1.00 12.01 C ATOM 1055 CG GLU A 67 8.629 1.476 -30.857 1.00 44.41 C ATOM 1056 CD GLU A 67 7.302 0.793 -30.593 1.00 14.30 C ATOM 1057 OE1 GLU A 67 6.536 1.292 -29.741 1.00 65.52 O ATOM 1058 OE2 GLU A 67 7.028 -0.240 -31.239 1.00 11.01 O ATOM 0 H GLU A 67 11.457 2.525 -28.135 1.00 33.44 H new ATOM 0 HA GLU A 67 11.414 0.827 -30.559 1.00 15.51 H new ATOM 0 HB2 GLU A 67 9.471 0.458 -29.175 1.00 12.01 H new ATOM 0 HB3 GLU A 67 9.235 2.177 -28.929 1.00 12.01 H new ATOM 0 HG2 GLU A 67 8.450 2.515 -31.135 1.00 44.41 H new ATOM 0 HG3 GLU A 67 9.116 0.998 -31.707 1.00 44.41 H new ATOM 1065 N THR A 68 10.930 4.092 -30.292 1.00 73.54 N ATOM 1066 CA THR A 68 11.009 5.350 -31.023 1.00 63.12 C ATOM 1067 C THR A 68 12.130 6.230 -30.482 1.00 13.43 C ATOM 1068 O THR A 68 12.660 7.084 -31.193 1.00 21.20 O ATOM 1069 CB THR A 68 9.681 6.126 -30.951 1.00 10.51 C ATOM 1070 OG1 THR A 68 9.859 7.450 -31.468 1.00 14.15 O ATOM 1071 CG2 THR A 68 9.174 6.200 -29.518 1.00 61.54 C ATOM 0 H THR A 68 10.701 4.193 -29.303 1.00 73.54 H new ATOM 0 HA THR A 68 11.218 5.099 -32.063 1.00 63.12 H new ATOM 0 HB THR A 68 8.943 5.597 -31.554 1.00 10.51 H new ATOM 0 HG1 THR A 68 9.010 7.937 -31.420 1.00 14.15 H new ATOM 0 HG21 THR A 68 8.235 6.753 -29.492 1.00 61.54 H new ATOM 0 HG22 THR A 68 9.012 5.192 -29.137 1.00 61.54 H new ATOM 0 HG23 THR A 68 9.911 6.709 -28.897 1.00 61.54 H new ATOM 1079 N ARG A 69 12.486 6.017 -29.219 1.00 53.21 N ATOM 1080 CA ARG A 69 13.544 6.792 -28.582 1.00 55.53 C ATOM 1081 C ARG A 69 14.854 6.010 -28.562 1.00 14.44 C ATOM 1082 O ARG A 69 14.916 4.871 -29.022 1.00 14.14 O ATOM 1083 CB ARG A 69 13.140 7.170 -27.156 1.00 1.31 C ATOM 1084 CG ARG A 69 11.973 8.142 -27.090 1.00 44.31 C ATOM 1085 CD ARG A 69 12.450 9.586 -27.099 1.00 41.33 C ATOM 1086 NE ARG A 69 11.384 10.512 -27.473 1.00 44.14 N ATOM 1087 CZ ARG A 69 11.488 11.832 -27.369 1.00 52.44 C ATOM 1088 NH1 ARG A 69 12.603 12.379 -26.906 1.00 23.24 N ATOM 1089 NH2 ARG A 69 10.474 12.609 -27.730 1.00 62.13 N ATOM 0 H ARG A 69 12.057 5.314 -28.617 1.00 53.21 H new ATOM 0 HA ARG A 69 13.694 7.702 -29.163 1.00 55.53 H new ATOM 0 HB2 ARG A 69 12.878 6.264 -26.609 1.00 1.31 H new ATOM 0 HB3 ARG A 69 13.998 7.611 -26.649 1.00 1.31 H new ATOM 0 HG2 ARG A 69 11.308 7.972 -27.937 1.00 44.31 H new ATOM 0 HG3 ARG A 69 11.393 7.955 -26.186 1.00 44.31 H new ATOM 0 HD2 ARG A 69 12.829 9.849 -26.111 1.00 41.33 H new ATOM 0 HD3 ARG A 69 13.281 9.689 -27.797 1.00 41.33 H new ATOM 0 HE ARG A 69 10.512 10.124 -27.834 1.00 44.14 H new ATOM 0 HH11 ARG A 69 13.385 11.786 -26.628 1.00 23.24 H new ATOM 0 HH12 ARG A 69 12.679 13.393 -26.828 1.00 23.24 H new ATOM 0 HH21 ARG A 69 9.614 12.192 -28.087 1.00 62.13 H new ATOM 0 HH22 ARG A 69 10.555 13.623 -27.650 1.00 62.13 H new ATOM 1103 N GLY A 70 15.900 6.632 -28.025 1.00 35.53 N ATOM 1104 CA GLY A 70 17.194 5.979 -27.955 1.00 10.34 C ATOM 1105 C GLY A 70 18.344 6.960 -28.065 1.00 3.35 C ATOM 1106 O GLY A 70 18.153 8.169 -27.931 1.00 40.03 O ATOM 0 H GLY A 70 15.874 7.575 -27.638 1.00 35.53 H new ATOM 0 HA2 GLY A 70 17.273 5.435 -27.014 1.00 10.34 H new ATOM 0 HA3 GLY A 70 17.270 5.243 -28.755 1.00 10.34 H new ATOM 1110 N SER A 71 19.543 6.440 -28.307 1.00 20.33 N ATOM 1111 CA SER A 71 20.730 7.278 -28.429 1.00 30.12 C ATOM 1112 C SER A 71 20.533 8.346 -29.501 1.00 21.44 C ATOM 1113 O SER A 71 19.669 8.236 -30.371 1.00 13.55 O ATOM 1114 CB SER A 71 21.953 6.422 -28.764 1.00 74.44 C ATOM 1115 OG SER A 71 21.611 5.048 -28.828 1.00 21.33 O ATOM 0 H SER A 71 19.718 5.442 -28.423 1.00 20.33 H new ATOM 0 HA SER A 71 20.894 7.774 -27.472 1.00 30.12 H new ATOM 0 HB2 SER A 71 22.373 6.740 -29.718 1.00 74.44 H new ATOM 0 HB3 SER A 71 22.725 6.573 -28.009 1.00 74.44 H new ATOM 0 HG SER A 71 22.409 4.522 -29.045 1.00 21.33 H new ATOM 1121 N PRO A 72 21.354 9.404 -29.438 1.00 2.43 N ATOM 1122 CA PRO A 72 21.291 10.513 -30.395 1.00 21.02 C ATOM 1123 C PRO A 72 21.764 10.105 -31.786 1.00 51.40 C ATOM 1124 O PRO A 72 21.116 10.413 -32.786 1.00 3.51 O ATOM 1125 CB PRO A 72 22.237 11.555 -29.793 1.00 13.42 C ATOM 1126 CG PRO A 72 23.191 10.767 -28.963 1.00 53.32 C ATOM 1127 CD PRO A 72 22.408 9.600 -28.428 1.00 13.52 C ATOM 0 HA PRO A 72 20.272 10.873 -30.535 1.00 21.02 H new ATOM 0 HB2 PRO A 72 22.757 12.114 -30.571 1.00 13.42 H new ATOM 0 HB3 PRO A 72 21.693 12.281 -29.189 1.00 13.42 H new ATOM 0 HG2 PRO A 72 24.039 10.428 -29.559 1.00 53.32 H new ATOM 0 HG3 PRO A 72 23.594 11.372 -28.151 1.00 53.32 H new ATOM 0 HD2 PRO A 72 23.032 8.713 -28.321 1.00 13.52 H new ATOM 0 HD3 PRO A 72 21.988 9.815 -27.445 1.00 13.52 H new ATOM 1135 N GLU A 73 22.896 9.411 -31.842 1.00 20.25 N ATOM 1136 CA GLU A 73 23.454 8.962 -33.112 1.00 25.25 C ATOM 1137 C GLU A 73 22.613 7.837 -33.708 1.00 45.03 C ATOM 1138 O GLU A 73 21.983 8.006 -34.752 1.00 63.52 O ATOM 1139 CB GLU A 73 24.897 8.489 -32.921 1.00 21.21 C ATOM 1140 CG GLU A 73 25.544 7.978 -34.197 1.00 72.24 C ATOM 1141 CD GLU A 73 25.767 9.076 -35.219 1.00 12.44 C ATOM 1142 OE1 GLU A 73 26.290 10.144 -34.838 1.00 12.24 O ATOM 1143 OE2 GLU A 73 25.418 8.867 -36.400 1.00 10.34 O ATOM 0 H GLU A 73 23.444 9.148 -31.023 1.00 20.25 H new ATOM 0 HA GLU A 73 23.444 9.805 -33.803 1.00 25.25 H new ATOM 0 HB2 GLU A 73 25.491 9.313 -32.527 1.00 21.21 H new ATOM 0 HB3 GLU A 73 24.915 7.697 -32.172 1.00 21.21 H new ATOM 0 HG2 GLU A 73 26.500 7.513 -33.954 1.00 72.24 H new ATOM 0 HG3 GLU A 73 24.914 7.203 -34.634 1.00 72.24 H new ATOM 1150 N SER A 74 22.610 6.689 -33.038 1.00 12.30 N ATOM 1151 CA SER A 74 21.850 5.535 -33.503 1.00 65.44 C ATOM 1152 C SER A 74 20.353 5.823 -33.478 1.00 14.31 C ATOM 1153 O SER A 74 19.747 5.930 -32.411 1.00 2.22 O ATOM 1154 CB SER A 74 22.160 4.311 -32.638 1.00 44.45 C ATOM 1155 OG SER A 74 21.915 3.110 -33.348 1.00 34.41 O ATOM 0 H SER A 74 23.125 6.533 -32.172 1.00 12.30 H new ATOM 0 HA SER A 74 22.145 5.329 -34.532 1.00 65.44 H new ATOM 0 HB2 SER A 74 23.202 4.342 -32.318 1.00 44.45 H new ATOM 0 HB3 SER A 74 21.549 4.335 -31.736 1.00 44.45 H new ATOM 0 HG SER A 74 22.466 2.391 -32.974 1.00 34.41 H new ATOM 1161 N HIS A 75 19.760 5.949 -34.661 1.00 62.43 N ATOM 1162 CA HIS A 75 18.332 6.224 -34.776 1.00 45.42 C ATOM 1163 C HIS A 75 17.548 4.938 -35.014 1.00 31.32 C ATOM 1164 O HIS A 75 18.037 4.012 -35.662 1.00 40.23 O ATOM 1165 CB HIS A 75 18.072 7.212 -35.914 1.00 63.32 C ATOM 1166 CG HIS A 75 18.106 8.646 -35.483 1.00 34.53 C ATOM 1167 ND1 HIS A 75 17.452 9.652 -36.163 1.00 23.43 N ATOM 1168 CD2 HIS A 75 18.718 9.240 -34.432 1.00 33.22 C ATOM 1169 CE1 HIS A 75 17.662 10.803 -35.550 1.00 24.21 C ATOM 1170 NE2 HIS A 75 18.427 10.580 -34.496 1.00 40.31 N ATOM 0 H HIS A 75 20.246 5.865 -35.554 1.00 62.43 H new ATOM 0 HA HIS A 75 17.995 6.665 -33.838 1.00 45.42 H new ATOM 0 HB2 HIS A 75 18.817 7.058 -36.695 1.00 63.32 H new ATOM 0 HB3 HIS A 75 17.099 6.997 -36.355 1.00 63.32 H new ATOM 0 HD2 HIS A 75 19.323 8.751 -33.683 1.00 33.22 H new ATOM 0 HE1 HIS A 75 17.274 11.763 -35.858 1.00 24.21 H new ATOM 0 HE2 HIS A 75 18.749 11.289 -33.837 1.00 40.31 H new ATOM 1178 N ILE A 76 16.330 4.887 -34.484 1.00 63.54 N ATOM 1179 CA ILE A 76 15.479 3.714 -34.640 1.00 20.44 C ATOM 1180 C ILE A 76 14.197 4.060 -35.389 1.00 11.11 C ATOM 1181 O ILE A 76 13.202 4.461 -34.785 1.00 11.11 O ATOM 1182 CB ILE A 76 15.113 3.099 -33.276 1.00 1.13 C ATOM 1183 CG1 ILE A 76 16.379 2.694 -32.518 1.00 62.22 C ATOM 1184 CG2 ILE A 76 14.195 1.900 -33.464 1.00 3.41 C ATOM 1185 CD1 ILE A 76 16.183 2.597 -31.021 1.00 50.34 C ATOM 0 H ILE A 76 15.911 5.644 -33.943 1.00 63.54 H new ATOM 0 HA ILE A 76 16.049 2.986 -35.217 1.00 20.44 H new ATOM 0 HB ILE A 76 14.584 3.848 -32.687 1.00 1.13 H new ATOM 0 HG12 ILE A 76 16.725 1.731 -32.894 1.00 62.22 H new ATOM 0 HG13 ILE A 76 17.165 3.419 -32.727 1.00 62.22 H new ATOM 0 HG21 ILE A 76 13.946 1.477 -32.491 1.00 3.41 H new ATOM 0 HG22 ILE A 76 13.281 2.217 -33.967 1.00 3.41 H new ATOM 0 HG23 ILE A 76 14.700 1.147 -34.069 1.00 3.41 H new ATOM 0 HD11 ILE A 76 17.121 2.306 -30.549 1.00 50.34 H new ATOM 0 HD12 ILE A 76 15.866 3.565 -30.632 1.00 50.34 H new ATOM 0 HD13 ILE A 76 15.420 1.851 -30.802 1.00 50.34 H new ATOM 1197 N ASP A 77 14.228 3.901 -36.707 1.00 55.14 N ATOM 1198 CA ASP A 77 13.067 4.194 -37.540 1.00 53.21 C ATOM 1199 C ASP A 77 11.885 3.310 -37.156 1.00 31.44 C ATOM 1200 O ASP A 77 10.793 3.802 -36.870 1.00 43.41 O ATOM 1201 CB ASP A 77 13.409 3.996 -39.017 1.00 71.35 C ATOM 1202 CG ASP A 77 12.244 4.324 -39.931 1.00 4.52 C ATOM 1203 OD1 ASP A 77 11.267 4.936 -39.450 1.00 21.11 O ATOM 1204 OD2 ASP A 77 12.311 3.971 -41.126 1.00 54.25 O ATOM 0 H ASP A 77 15.044 3.571 -37.222 1.00 55.14 H new ATOM 0 HA ASP A 77 12.787 5.235 -37.376 1.00 53.21 H new ATOM 0 HB2 ASP A 77 14.260 4.626 -39.277 1.00 71.35 H new ATOM 0 HB3 ASP A 77 13.715 2.963 -39.181 1.00 71.35 H new ATOM 1209 N LYS A 78 12.109 2.000 -37.151 1.00 64.03 N ATOM 1210 CA LYS A 78 11.064 1.045 -36.802 1.00 43.11 C ATOM 1211 C LYS A 78 11.594 -0.014 -35.840 1.00 40.25 C ATOM 1212 O LYS A 78 12.799 -0.253 -35.769 1.00 30.33 O ATOM 1213 CB LYS A 78 10.515 0.375 -38.063 1.00 62.25 C ATOM 1214 CG LYS A 78 11.595 -0.091 -39.024 1.00 44.02 C ATOM 1215 CD LYS A 78 11.124 -1.264 -39.868 1.00 11.44 C ATOM 1216 CE LYS A 78 12.031 -1.487 -41.068 1.00 31.41 C ATOM 1217 NZ LYS A 78 13.389 -1.940 -40.660 1.00 25.43 N ATOM 0 H LYS A 78 13.006 1.575 -37.385 1.00 64.03 H new ATOM 0 HA LYS A 78 10.259 1.589 -36.308 1.00 43.11 H new ATOM 0 HB2 LYS A 78 9.905 -0.480 -37.773 1.00 62.25 H new ATOM 0 HB3 LYS A 78 9.858 1.075 -38.580 1.00 62.25 H new ATOM 0 HG2 LYS A 78 11.884 0.734 -39.675 1.00 44.02 H new ATOM 0 HG3 LYS A 78 12.483 -0.380 -38.462 1.00 44.02 H new ATOM 0 HD2 LYS A 78 11.099 -2.166 -39.257 1.00 11.44 H new ATOM 0 HD3 LYS A 78 10.105 -1.082 -40.210 1.00 11.44 H new ATOM 0 HE2 LYS A 78 11.584 -2.230 -41.728 1.00 31.41 H new ATOM 0 HE3 LYS A 78 12.113 -0.562 -41.638 1.00 31.41 H new ATOM 0 HZ1 LYS A 78 13.709 -2.696 -41.298 1.00 25.43 H new ATOM 0 HZ2 LYS A 78 14.052 -1.140 -40.711 1.00 25.43 H new ATOM 0 HZ3 LYS A 78 13.356 -2.301 -39.685 1.00 25.43 H new ATOM 1231 N ALA A 79 10.686 -0.646 -35.104 1.00 54.53 N ATOM 1232 CA ALA A 79 11.062 -1.681 -34.150 1.00 33.20 C ATOM 1233 C ALA A 79 9.932 -2.687 -33.958 1.00 32.11 C ATOM 1234 O ALA A 79 8.868 -2.563 -34.563 1.00 11.40 O ATOM 1235 CB ALA A 79 11.447 -1.056 -32.817 1.00 73.23 C ATOM 0 H ALA A 79 9.684 -0.459 -35.150 1.00 54.53 H new ATOM 0 HA ALA A 79 11.924 -2.214 -34.551 1.00 33.20 H new ATOM 0 HB1 ALA A 79 11.726 -1.841 -32.114 1.00 73.23 H new ATOM 0 HB2 ALA A 79 12.291 -0.382 -32.962 1.00 73.23 H new ATOM 0 HB3 ALA A 79 10.600 -0.497 -32.419 1.00 73.23 H new ATOM 1241 N ASN A 80 10.171 -3.684 -33.112 1.00 72.22 N ATOM 1242 CA ASN A 80 9.173 -4.713 -32.842 1.00 12.33 C ATOM 1243 C ASN A 80 9.653 -5.663 -31.749 1.00 2.33 C ATOM 1244 O ASN A 80 10.855 -5.831 -31.541 1.00 41.44 O ATOM 1245 CB ASN A 80 8.863 -5.500 -34.117 1.00 14.43 C ATOM 1246 CG ASN A 80 7.499 -6.162 -34.070 1.00 40.30 C ATOM 1247 OD1 ASN A 80 7.375 -7.369 -34.277 1.00 45.15 O ATOM 1248 ND2 ASN A 80 6.467 -5.372 -33.797 1.00 0.12 N ATOM 0 H ASN A 80 11.046 -3.801 -32.602 1.00 72.22 H new ATOM 0 HA ASN A 80 8.264 -4.220 -32.497 1.00 12.33 H new ATOM 0 HB2 ASN A 80 8.909 -4.829 -34.975 1.00 14.43 H new ATOM 0 HB3 ASN A 80 9.629 -6.261 -34.266 1.00 14.43 H new ATOM 0 HD21 ASN A 80 5.525 -5.761 -33.752 1.00 0.12 H new ATOM 0 HD22 ASN A 80 6.616 -4.377 -33.632 1.00 0.12 H new ATOM 1255 N PHE A 81 8.706 -6.282 -31.053 1.00 31.34 N ATOM 1256 CA PHE A 81 9.032 -7.215 -29.980 1.00 73.44 C ATOM 1257 C PHE A 81 8.735 -8.652 -30.401 1.00 13.13 C ATOM 1258 O PHE A 81 7.999 -8.892 -31.358 1.00 52.32 O ATOM 1259 CB PHE A 81 8.242 -6.868 -28.716 1.00 65.53 C ATOM 1260 CG PHE A 81 6.777 -6.655 -28.965 1.00 13.55 C ATOM 1261 CD1 PHE A 81 5.911 -7.732 -29.051 1.00 74.52 C ATOM 1262 CD2 PHE A 81 6.265 -5.375 -29.112 1.00 21.32 C ATOM 1263 CE1 PHE A 81 4.561 -7.539 -29.279 1.00 61.11 C ATOM 1264 CE2 PHE A 81 4.917 -5.176 -29.339 1.00 54.35 C ATOM 1265 CZ PHE A 81 4.064 -6.259 -29.424 1.00 53.15 C ATOM 0 H PHE A 81 7.707 -6.155 -31.212 1.00 31.34 H new ATOM 0 HA PHE A 81 10.098 -7.129 -29.768 1.00 73.44 H new ATOM 0 HB2 PHE A 81 8.366 -7.670 -27.988 1.00 65.53 H new ATOM 0 HB3 PHE A 81 8.662 -5.966 -28.271 1.00 65.53 H new ATOM 0 HD1 PHE A 81 6.295 -8.735 -28.939 1.00 74.52 H new ATOM 0 HD2 PHE A 81 6.927 -4.524 -29.048 1.00 21.32 H new ATOM 0 HE1 PHE A 81 3.896 -8.388 -29.344 1.00 61.11 H new ATOM 0 HE2 PHE A 81 4.530 -4.174 -29.450 1.00 54.35 H new ATOM 0 HZ PHE A 81 3.010 -6.105 -29.604 1.00 53.15 H new ATOM 1275 N LYS A 82 9.313 -9.605 -29.678 1.00 23.01 N ATOM 1276 CA LYS A 82 9.112 -11.019 -29.973 1.00 52.42 C ATOM 1277 C LYS A 82 8.242 -11.678 -28.908 1.00 21.42 C ATOM 1278 O LYS A 82 7.682 -11.003 -28.045 1.00 61.42 O ATOM 1279 CB LYS A 82 10.459 -11.739 -30.065 1.00 0.33 C ATOM 1280 CG LYS A 82 11.431 -11.089 -31.035 1.00 20.44 C ATOM 1281 CD LYS A 82 12.662 -11.953 -31.253 1.00 32.52 C ATOM 1282 CE LYS A 82 12.393 -13.062 -32.259 1.00 21.33 C ATOM 1283 NZ LYS A 82 12.479 -12.571 -33.662 1.00 21.01 N ATOM 0 H LYS A 82 9.925 -9.424 -28.883 1.00 23.01 H new ATOM 0 HA LYS A 82 8.601 -11.095 -30.933 1.00 52.42 H new ATOM 0 HB2 LYS A 82 10.913 -11.770 -29.075 1.00 0.33 H new ATOM 0 HB3 LYS A 82 10.290 -12.771 -30.371 1.00 0.33 H new ATOM 0 HG2 LYS A 82 10.933 -10.916 -31.989 1.00 20.44 H new ATOM 0 HG3 LYS A 82 11.733 -10.114 -30.651 1.00 20.44 H new ATOM 0 HD2 LYS A 82 13.486 -11.332 -31.606 1.00 32.52 H new ATOM 0 HD3 LYS A 82 12.975 -12.389 -30.304 1.00 32.52 H new ATOM 0 HE2 LYS A 82 13.112 -13.868 -32.112 1.00 21.33 H new ATOM 0 HE3 LYS A 82 11.403 -13.481 -32.081 1.00 21.33 H new ATOM 0 HZ1 LYS A 82 11.524 -12.513 -34.069 1.00 21.01 H new ATOM 0 HZ2 LYS A 82 12.918 -11.628 -33.674 1.00 21.01 H new ATOM 0 HZ3 LYS A 82 13.055 -13.229 -34.225 1.00 21.01 H new ATOM 1297 N ASN A 83 8.135 -13.002 -28.974 1.00 2.53 N ATOM 1298 CA ASN A 83 7.334 -13.752 -28.014 1.00 23.44 C ATOM 1299 C ASN A 83 8.007 -13.776 -26.644 1.00 40.25 C ATOM 1300 O ASN A 83 8.883 -14.601 -26.387 1.00 41.50 O ATOM 1301 CB ASN A 83 7.113 -15.183 -28.510 1.00 44.43 C ATOM 1302 CG ASN A 83 6.075 -15.925 -27.691 1.00 64.21 C ATOM 1303 OD1 ASN A 83 5.448 -15.354 -26.799 1.00 20.31 O ATOM 1304 ND2 ASN A 83 5.890 -17.205 -27.991 1.00 62.44 N ATOM 0 H ASN A 83 8.593 -13.576 -29.682 1.00 2.53 H new ATOM 0 HA ASN A 83 6.369 -13.254 -27.917 1.00 23.44 H new ATOM 0 HB2 ASN A 83 6.799 -15.158 -29.553 1.00 44.43 H new ATOM 0 HB3 ASN A 83 8.057 -15.727 -28.474 1.00 44.43 H new ATOM 0 HD21 ASN A 83 5.205 -17.756 -27.474 1.00 62.44 H new ATOM 0 HD22 ASN A 83 6.433 -17.637 -28.739 1.00 62.44 H new ATOM 1311 N GLU A 84 7.590 -12.865 -25.770 1.00 72.14 N ATOM 1312 CA GLU A 84 8.152 -12.782 -24.428 1.00 5.22 C ATOM 1313 C GLU A 84 8.111 -14.141 -23.735 1.00 50.11 C ATOM 1314 O GLU A 84 7.436 -15.064 -24.192 1.00 41.44 O ATOM 1315 CB GLU A 84 7.391 -11.749 -23.595 1.00 35.14 C ATOM 1316 CG GLU A 84 5.944 -12.130 -23.327 1.00 61.03 C ATOM 1317 CD GLU A 84 5.328 -11.325 -22.200 1.00 34.02 C ATOM 1318 OE1 GLU A 84 4.776 -10.240 -22.479 1.00 52.03 O ATOM 1319 OE2 GLU A 84 5.397 -11.779 -21.039 1.00 31.42 O ATOM 0 H GLU A 84 6.865 -12.175 -25.968 1.00 72.14 H new ATOM 0 HA GLU A 84 9.193 -12.471 -24.517 1.00 5.22 H new ATOM 0 HB2 GLU A 84 7.904 -11.613 -22.643 1.00 35.14 H new ATOM 0 HB3 GLU A 84 7.416 -10.789 -24.111 1.00 35.14 H new ATOM 0 HG2 GLU A 84 5.359 -11.983 -24.235 1.00 61.03 H new ATOM 0 HG3 GLU A 84 5.891 -13.191 -23.082 1.00 61.03 H new ATOM 1326 N LYS A 85 8.838 -14.257 -22.629 1.00 61.12 N ATOM 1327 CA LYS A 85 8.885 -15.502 -21.871 1.00 45.23 C ATOM 1328 C LYS A 85 8.817 -15.229 -20.372 1.00 51.11 C ATOM 1329 O LYS A 85 9.772 -14.730 -19.777 1.00 42.55 O ATOM 1330 CB LYS A 85 10.164 -16.276 -22.202 1.00 13.34 C ATOM 1331 CG LYS A 85 10.038 -17.163 -23.428 1.00 11.10 C ATOM 1332 CD LYS A 85 9.172 -18.380 -23.149 1.00 64.31 C ATOM 1333 CE LYS A 85 9.944 -19.452 -22.395 1.00 65.34 C ATOM 1334 NZ LYS A 85 9.038 -20.365 -21.646 1.00 32.24 N ATOM 0 H LYS A 85 9.403 -13.504 -22.237 1.00 61.12 H new ATOM 0 HA LYS A 85 8.020 -16.103 -22.152 1.00 45.23 H new ATOM 0 HB2 LYS A 85 10.977 -15.567 -22.359 1.00 13.34 H new ATOM 0 HB3 LYS A 85 10.438 -16.892 -21.345 1.00 13.34 H new ATOM 0 HG2 LYS A 85 9.608 -16.590 -24.250 1.00 11.10 H new ATOM 0 HG3 LYS A 85 11.029 -17.486 -23.748 1.00 11.10 H new ATOM 0 HD2 LYS A 85 8.300 -18.082 -22.568 1.00 64.31 H new ATOM 0 HD3 LYS A 85 8.804 -18.789 -24.090 1.00 64.31 H new ATOM 0 HE2 LYS A 85 10.542 -20.031 -23.098 1.00 65.34 H new ATOM 0 HE3 LYS A 85 10.638 -18.979 -21.700 1.00 65.34 H new ATOM 0 HZ1 LYS A 85 9.603 -21.081 -21.146 1.00 32.24 H new ATOM 0 HZ2 LYS A 85 8.485 -19.817 -20.957 1.00 32.24 H new ATOM 0 HZ3 LYS A 85 8.392 -20.836 -22.311 1.00 32.24 H new ATOM 1348 N VAL A 86 7.681 -15.561 -19.766 1.00 25.20 N ATOM 1349 CA VAL A 86 7.490 -15.354 -18.336 1.00 35.35 C ATOM 1350 C VAL A 86 8.385 -16.281 -17.521 1.00 45.32 C ATOM 1351 O VAL A 86 8.398 -17.494 -17.734 1.00 13.53 O ATOM 1352 CB VAL A 86 6.023 -15.587 -17.927 1.00 12.43 C ATOM 1353 CG1 VAL A 86 5.846 -15.377 -16.430 1.00 71.54 C ATOM 1354 CG2 VAL A 86 5.099 -14.670 -18.714 1.00 40.14 C ATOM 0 H VAL A 86 6.880 -15.974 -20.243 1.00 25.20 H new ATOM 0 HA VAL A 86 7.759 -14.318 -18.128 1.00 35.35 H new ATOM 0 HB VAL A 86 5.759 -16.619 -18.159 1.00 12.43 H new ATOM 0 HG11 VAL A 86 4.804 -15.546 -16.160 1.00 71.54 H new ATOM 0 HG12 VAL A 86 6.480 -16.078 -15.887 1.00 71.54 H new ATOM 0 HG13 VAL A 86 6.128 -14.357 -16.170 1.00 71.54 H new ATOM 0 HG21 VAL A 86 4.067 -14.848 -18.413 1.00 40.14 H new ATOM 0 HG22 VAL A 86 5.361 -13.631 -18.515 1.00 40.14 H new ATOM 0 HG23 VAL A 86 5.206 -14.873 -19.780 1.00 40.14 H new ATOM 1364 N ILE A 87 9.134 -15.702 -16.588 1.00 53.53 N ATOM 1365 CA ILE A 87 10.032 -16.476 -15.741 1.00 12.24 C ATOM 1366 C ILE A 87 9.911 -16.052 -14.281 1.00 31.44 C ATOM 1367 O ILE A 87 9.216 -15.088 -13.958 1.00 31.02 O ATOM 1368 CB ILE A 87 11.498 -16.324 -16.188 1.00 32.54 C ATOM 1369 CG1 ILE A 87 11.953 -14.872 -16.034 1.00 42.14 C ATOM 1370 CG2 ILE A 87 11.663 -16.788 -17.627 1.00 61.02 C ATOM 1371 CD1 ILE A 87 13.397 -14.647 -16.426 1.00 53.44 C ATOM 0 H ILE A 87 9.136 -14.699 -16.400 1.00 53.53 H new ATOM 0 HA ILE A 87 9.737 -17.521 -15.840 1.00 12.24 H new ATOM 0 HB ILE A 87 12.124 -16.950 -15.551 1.00 32.54 H new ATOM 0 HG12 ILE A 87 11.315 -14.233 -16.645 1.00 42.14 H new ATOM 0 HG13 ILE A 87 11.814 -14.564 -14.998 1.00 42.14 H new ATOM 0 HG21 ILE A 87 12.704 -16.675 -17.929 1.00 61.02 H new ATOM 0 HG22 ILE A 87 11.374 -17.836 -17.707 1.00 61.02 H new ATOM 0 HG23 ILE A 87 11.029 -16.186 -18.278 1.00 61.02 H new ATOM 0 HD11 ILE A 87 13.651 -13.596 -16.292 1.00 53.44 H new ATOM 0 HD12 ILE A 87 14.044 -15.260 -15.798 1.00 53.44 H new ATOM 0 HD13 ILE A 87 13.538 -14.924 -17.471 1.00 53.44 H new ATOM 1383 N LEU A 88 10.593 -16.778 -13.402 1.00 21.23 N ATOM 1384 CA LEU A 88 10.564 -16.477 -11.975 1.00 24.25 C ATOM 1385 C LEU A 88 11.894 -15.886 -11.516 1.00 15.31 C ATOM 1386 O LEU A 88 11.946 -15.121 -10.552 1.00 70.14 O ATOM 1387 CB LEU A 88 10.252 -17.742 -11.173 1.00 2.23 C ATOM 1388 CG LEU A 88 9.006 -18.518 -11.601 1.00 42.32 C ATOM 1389 CD1 LEU A 88 8.949 -19.866 -10.900 1.00 3.24 C ATOM 1390 CD2 LEU A 88 7.749 -17.710 -11.312 1.00 23.34 C ATOM 0 H LEU A 88 11.173 -17.579 -13.652 1.00 21.23 H new ATOM 0 HA LEU A 88 9.780 -15.740 -11.800 1.00 24.25 H new ATOM 0 HB2 LEU A 88 11.111 -18.410 -11.237 1.00 2.23 H new ATOM 0 HB3 LEU A 88 10.141 -17.465 -10.125 1.00 2.23 H new ATOM 0 HG LEU A 88 9.062 -18.693 -12.675 1.00 42.32 H new ATOM 0 HD11 LEU A 88 8.055 -20.404 -11.217 1.00 3.24 H new ATOM 0 HD12 LEU A 88 9.834 -20.448 -11.158 1.00 3.24 H new ATOM 0 HD13 LEU A 88 8.917 -19.714 -9.821 1.00 3.24 H new ATOM 0 HD21 LEU A 88 6.872 -18.278 -11.623 1.00 23.34 H new ATOM 0 HD22 LEU A 88 7.687 -17.503 -10.244 1.00 23.34 H new ATOM 0 HD23 LEU A 88 7.786 -16.770 -11.862 1.00 23.34 H new ATOM 1402 N LYS A 89 12.966 -16.243 -12.214 1.00 23.13 N ATOM 1403 CA LYS A 89 14.296 -15.746 -11.882 1.00 1.13 C ATOM 1404 C LYS A 89 15.019 -15.250 -13.130 1.00 20.00 C ATOM 1405 O LYS A 89 14.967 -15.886 -14.184 1.00 25.15 O ATOM 1406 CB LYS A 89 15.120 -16.844 -11.205 1.00 75.20 C ATOM 1407 CG LYS A 89 14.649 -17.179 -9.800 1.00 74.45 C ATOM 1408 CD LYS A 89 15.328 -18.430 -9.268 1.00 74.34 C ATOM 1409 CE LYS A 89 16.687 -18.112 -8.664 1.00 35.44 C ATOM 1410 NZ LYS A 89 16.567 -17.256 -7.451 1.00 45.24 N ATOM 0 H LYS A 89 12.940 -16.875 -13.014 1.00 23.13 H new ATOM 0 HA LYS A 89 14.182 -14.909 -11.193 1.00 1.13 H new ATOM 0 HB2 LYS A 89 15.081 -17.745 -11.817 1.00 75.20 H new ATOM 0 HB3 LYS A 89 16.163 -16.531 -11.165 1.00 75.20 H new ATOM 0 HG2 LYS A 89 14.857 -16.340 -9.136 1.00 74.45 H new ATOM 0 HG3 LYS A 89 13.569 -17.323 -9.802 1.00 74.45 H new ATOM 0 HD2 LYS A 89 14.694 -18.897 -8.514 1.00 74.34 H new ATOM 0 HD3 LYS A 89 15.448 -19.152 -10.076 1.00 74.34 H new ATOM 0 HE2 LYS A 89 17.196 -19.040 -8.405 1.00 35.44 H new ATOM 0 HE3 LYS A 89 17.305 -17.606 -9.406 1.00 35.44 H new ATOM 0 HZ1 LYS A 89 17.405 -17.387 -6.849 1.00 45.24 H new ATOM 0 HZ2 LYS A 89 16.498 -16.258 -7.736 1.00 45.24 H new ATOM 0 HZ3 LYS A 89 15.714 -17.524 -6.920 1.00 45.24 H new ATOM 1424 N LEU A 90 15.693 -14.112 -13.005 1.00 22.31 N ATOM 1425 CA LEU A 90 16.429 -13.532 -14.123 1.00 55.31 C ATOM 1426 C LEU A 90 17.790 -14.201 -14.286 1.00 14.43 C ATOM 1427 O LEU A 90 18.377 -14.679 -13.315 1.00 43.14 O ATOM 1428 CB LEU A 90 16.609 -12.027 -13.914 1.00 73.14 C ATOM 1429 CG LEU A 90 15.333 -11.231 -13.636 1.00 4.32 C ATOM 1430 CD1 LEU A 90 15.640 -10.018 -12.770 1.00 74.42 C ATOM 1431 CD2 LEU A 90 14.675 -10.805 -14.940 1.00 2.50 C ATOM 0 H LEU A 90 15.745 -13.573 -12.141 1.00 22.31 H new ATOM 0 HA LEU A 90 15.852 -13.700 -15.032 1.00 55.31 H new ATOM 0 HB2 LEU A 90 17.296 -11.876 -13.082 1.00 73.14 H new ATOM 0 HB3 LEU A 90 17.086 -11.612 -14.801 1.00 73.14 H new ATOM 0 HG LEU A 90 14.638 -11.872 -13.095 1.00 4.32 H new ATOM 0 HD11 LEU A 90 14.721 -9.463 -12.582 1.00 74.42 H new ATOM 0 HD12 LEU A 90 16.066 -10.346 -11.822 1.00 74.42 H new ATOM 0 HD13 LEU A 90 16.353 -9.375 -13.285 1.00 74.42 H new ATOM 0 HD21 LEU A 90 13.769 -10.240 -14.723 1.00 2.50 H new ATOM 0 HD22 LEU A 90 15.364 -10.181 -15.508 1.00 2.50 H new ATOM 0 HD23 LEU A 90 14.420 -11.689 -15.525 1.00 2.50 H new ATOM 1443 N ASP A 91 18.286 -14.229 -15.518 1.00 13.43 N ATOM 1444 CA ASP A 91 19.580 -14.836 -15.807 1.00 54.24 C ATOM 1445 C ASP A 91 20.714 -13.851 -15.540 1.00 31.41 C ATOM 1446 O ASP A 91 21.842 -14.252 -15.251 1.00 52.11 O ATOM 1447 CB ASP A 91 19.631 -15.309 -17.261 1.00 33.42 C ATOM 1448 CG ASP A 91 18.590 -16.370 -17.561 1.00 22.41 C ATOM 1449 OD1 ASP A 91 18.034 -16.944 -16.601 1.00 74.33 O ATOM 1450 OD2 ASP A 91 18.332 -16.626 -18.755 1.00 72.24 O ATOM 0 H ASP A 91 17.812 -13.839 -16.332 1.00 13.43 H new ATOM 0 HA ASP A 91 19.706 -15.695 -15.148 1.00 54.24 H new ATOM 0 HB2 ASP A 91 19.478 -14.457 -17.923 1.00 33.42 H new ATOM 0 HB3 ASP A 91 20.623 -15.706 -17.476 1.00 33.42 H new ATOM 1455 N TYR A 92 20.407 -12.563 -15.639 1.00 45.32 N ATOM 1456 CA TYR A 92 21.402 -11.521 -15.412 1.00 11.05 C ATOM 1457 C TYR A 92 21.169 -10.829 -14.072 1.00 53.42 C ATOM 1458 O TYR A 92 20.097 -10.947 -13.478 1.00 4.04 O ATOM 1459 CB TYR A 92 21.362 -10.493 -16.543 1.00 44.15 C ATOM 1460 CG TYR A 92 22.250 -10.848 -17.715 1.00 52.11 C ATOM 1461 CD1 TYR A 92 22.276 -12.140 -18.226 1.00 3.32 C ATOM 1462 CD2 TYR A 92 23.061 -9.891 -18.312 1.00 42.20 C ATOM 1463 CE1 TYR A 92 23.086 -12.468 -19.295 1.00 61.45 C ATOM 1464 CE2 TYR A 92 23.873 -10.210 -19.383 1.00 62.11 C ATOM 1465 CZ TYR A 92 23.883 -11.500 -19.871 1.00 35.31 C ATOM 1466 OH TYR A 92 24.690 -11.823 -20.938 1.00 34.45 O ATOM 0 H TYR A 92 19.478 -12.215 -15.875 1.00 45.32 H new ATOM 0 HA TYR A 92 22.385 -11.991 -15.392 1.00 11.05 H new ATOM 0 HB2 TYR A 92 20.335 -10.391 -16.894 1.00 44.15 H new ATOM 0 HB3 TYR A 92 21.663 -9.522 -16.151 1.00 44.15 H new ATOM 0 HD1 TYR A 92 21.652 -12.900 -17.780 1.00 3.32 H new ATOM 0 HD2 TYR A 92 23.057 -8.880 -17.932 1.00 42.20 H new ATOM 0 HE1 TYR A 92 23.096 -13.478 -19.679 1.00 61.45 H new ATOM 0 HE2 TYR A 92 24.497 -9.453 -19.836 1.00 62.11 H new ATOM 0 HH TYR A 92 25.185 -11.028 -21.226 1.00 34.45 H new ATOM 1476 N SER A 93 22.180 -10.105 -13.604 1.00 3.33 N ATOM 1477 CA SER A 93 22.088 -9.395 -12.333 1.00 44.12 C ATOM 1478 C SER A 93 22.087 -7.885 -12.553 1.00 63.23 C ATOM 1479 O SER A 93 21.552 -7.129 -11.742 1.00 41.04 O ATOM 1480 CB SER A 93 23.251 -9.788 -11.420 1.00 43.21 C ATOM 1481 OG SER A 93 23.037 -11.063 -10.841 1.00 73.20 O ATOM 0 H SER A 93 23.072 -9.994 -14.085 1.00 3.33 H new ATOM 0 HA SER A 93 21.149 -9.676 -11.855 1.00 44.12 H new ATOM 0 HB2 SER A 93 24.179 -9.796 -11.991 1.00 43.21 H new ATOM 0 HB3 SER A 93 23.367 -9.043 -10.633 1.00 43.21 H new ATOM 0 HG SER A 93 23.795 -11.291 -10.264 1.00 73.20 H new ATOM 1487 N ASP A 94 22.690 -7.454 -13.656 1.00 25.15 N ATOM 1488 CA ASP A 94 22.759 -6.035 -13.984 1.00 61.04 C ATOM 1489 C ASP A 94 23.008 -5.834 -15.476 1.00 75.32 C ATOM 1490 O ASP A 94 23.774 -6.574 -16.093 1.00 44.24 O ATOM 1491 CB ASP A 94 23.864 -5.355 -13.175 1.00 1.23 C ATOM 1492 CG ASP A 94 23.431 -5.037 -11.757 1.00 21.51 C ATOM 1493 OD1 ASP A 94 22.359 -4.419 -11.589 1.00 24.24 O ATOM 1494 OD2 ASP A 94 24.164 -5.407 -10.816 1.00 4.45 O ATOM 0 H ASP A 94 23.138 -8.067 -14.337 1.00 25.15 H new ATOM 0 HA ASP A 94 21.801 -5.582 -13.728 1.00 61.04 H new ATOM 0 HB2 ASP A 94 24.741 -6.002 -13.148 1.00 1.23 H new ATOM 0 HB3 ASP A 94 24.163 -4.434 -13.676 1.00 1.23 H new ATOM 1499 N PHE A 95 22.353 -4.830 -16.050 1.00 22.11 N ATOM 1500 CA PHE A 95 22.501 -4.533 -17.470 1.00 23.20 C ATOM 1501 C PHE A 95 23.974 -4.393 -17.846 1.00 15.14 C ATOM 1502 O PHE A 95 24.720 -3.654 -17.204 1.00 21.51 O ATOM 1503 CB PHE A 95 21.748 -3.250 -17.826 1.00 10.23 C ATOM 1504 CG PHE A 95 21.381 -3.153 -19.279 1.00 63.20 C ATOM 1505 CD1 PHE A 95 22.365 -3.101 -20.253 1.00 42.13 C ATOM 1506 CD2 PHE A 95 20.053 -3.115 -19.671 1.00 31.20 C ATOM 1507 CE1 PHE A 95 22.030 -3.011 -21.591 1.00 64.12 C ATOM 1508 CE2 PHE A 95 19.712 -3.026 -21.008 1.00 1.04 C ATOM 1509 CZ PHE A 95 20.702 -2.975 -21.969 1.00 3.11 C ATOM 0 H PHE A 95 21.715 -4.208 -15.554 1.00 22.11 H new ATOM 0 HA PHE A 95 22.077 -5.363 -18.035 1.00 23.20 H new ATOM 0 HB2 PHE A 95 20.840 -3.193 -17.226 1.00 10.23 H new ATOM 0 HB3 PHE A 95 22.363 -2.391 -17.557 1.00 10.23 H new ATOM 0 HD1 PHE A 95 23.405 -3.131 -19.964 1.00 42.13 H new ATOM 0 HD2 PHE A 95 19.275 -3.155 -18.923 1.00 31.20 H new ATOM 0 HE1 PHE A 95 22.806 -2.969 -22.341 1.00 64.12 H new ATOM 0 HE2 PHE A 95 18.673 -2.996 -21.300 1.00 1.04 H new ATOM 0 HZ PHE A 95 20.439 -2.907 -23.014 1.00 3.11 H new ATOM 1519 N GLN A 96 24.383 -5.108 -18.889 1.00 14.32 N ATOM 1520 CA GLN A 96 25.765 -5.064 -19.349 1.00 44.02 C ATOM 1521 C GLN A 96 25.830 -4.918 -20.866 1.00 11.31 C ATOM 1522 O GLN A 96 24.827 -5.092 -21.559 1.00 22.40 O ATOM 1523 CB GLN A 96 26.510 -6.328 -18.915 1.00 11.43 C ATOM 1524 CG GLN A 96 28.004 -6.120 -18.728 1.00 42.43 C ATOM 1525 CD GLN A 96 28.650 -7.223 -17.914 1.00 60.53 C ATOM 1526 OE1 GLN A 96 28.025 -8.244 -17.624 1.00 54.30 O ATOM 1527 NE2 GLN A 96 29.909 -7.025 -17.541 1.00 72.10 N ATOM 0 H GLN A 96 23.777 -5.724 -19.431 1.00 14.32 H new ATOM 0 HA GLN A 96 26.244 -4.195 -18.897 1.00 44.02 H new ATOM 0 HB2 GLN A 96 26.082 -6.689 -17.980 1.00 11.43 H new ATOM 0 HB3 GLN A 96 26.351 -7.107 -19.660 1.00 11.43 H new ATOM 0 HG2 GLN A 96 28.484 -6.066 -19.705 1.00 42.43 H new ATOM 0 HG3 GLN A 96 28.175 -5.163 -18.235 1.00 42.43 H new ATOM 0 HE21 GLN A 96 30.389 -6.164 -17.803 1.00 72.10 H new ATOM 0 HE22 GLN A 96 30.396 -7.734 -16.992 1.00 72.10 H new ATOM 1536 N ILE A 97 27.015 -4.596 -21.374 1.00 74.14 N ATOM 1537 CA ILE A 97 27.209 -4.427 -22.809 1.00 61.21 C ATOM 1538 C ILE A 97 27.937 -5.625 -23.410 1.00 2.22 C ATOM 1539 O ILE A 97 28.815 -6.212 -22.778 1.00 24.22 O ATOM 1540 CB ILE A 97 28.005 -3.147 -23.122 1.00 42.43 C ATOM 1541 CG1 ILE A 97 27.291 -1.922 -22.547 1.00 32.23 C ATOM 1542 CG2 ILE A 97 28.198 -2.997 -24.624 1.00 0.20 C ATOM 1543 CD1 ILE A 97 28.170 -0.694 -22.460 1.00 63.54 C ATOM 0 H ILE A 97 27.854 -4.447 -20.814 1.00 74.14 H new ATOM 0 HA ILE A 97 26.217 -4.347 -23.254 1.00 61.21 H new ATOM 0 HB ILE A 97 28.987 -3.225 -22.655 1.00 42.43 H new ATOM 0 HG12 ILE A 97 26.423 -1.694 -23.166 1.00 32.23 H new ATOM 0 HG13 ILE A 97 26.918 -2.163 -21.551 1.00 32.23 H new ATOM 0 HG21 ILE A 97 28.762 -2.087 -24.829 1.00 0.20 H new ATOM 0 HG22 ILE A 97 28.745 -3.858 -25.008 1.00 0.20 H new ATOM 0 HG23 ILE A 97 27.225 -2.938 -25.112 1.00 0.20 H new ATOM 0 HD11 ILE A 97 27.597 0.135 -22.044 1.00 63.54 H new ATOM 0 HD12 ILE A 97 29.025 -0.903 -21.817 1.00 63.54 H new ATOM 0 HD13 ILE A 97 28.522 -0.427 -23.457 1.00 63.54 H new ATOM 1555 N VAL A 98 27.568 -5.981 -24.636 1.00 34.10 N ATOM 1556 CA VAL A 98 28.187 -7.107 -25.324 1.00 63.05 C ATOM 1557 C VAL A 98 29.393 -6.656 -26.141 1.00 51.42 C ATOM 1558 O VAL A 98 29.333 -5.656 -26.857 1.00 50.21 O ATOM 1559 CB VAL A 98 27.186 -7.815 -26.256 1.00 70.31 C ATOM 1560 CG1 VAL A 98 27.818 -9.050 -26.880 1.00 21.33 C ATOM 1561 CG2 VAL A 98 25.919 -8.180 -25.497 1.00 61.22 C ATOM 0 H VAL A 98 26.843 -5.506 -25.173 1.00 34.10 H new ATOM 0 HA VAL A 98 28.513 -7.807 -24.555 1.00 63.05 H new ATOM 0 HB VAL A 98 26.917 -7.129 -27.059 1.00 70.31 H new ATOM 0 HG11 VAL A 98 27.096 -9.537 -27.535 1.00 21.33 H new ATOM 0 HG12 VAL A 98 28.694 -8.757 -27.459 1.00 21.33 H new ATOM 0 HG13 VAL A 98 28.118 -9.742 -26.093 1.00 21.33 H new ATOM 0 HG21 VAL A 98 25.223 -8.679 -26.170 1.00 61.22 H new ATOM 0 HG22 VAL A 98 26.168 -8.848 -24.672 1.00 61.22 H new ATOM 0 HG23 VAL A 98 25.457 -7.275 -25.104 1.00 61.22 H new ATOM 1571 N LYS A 99 30.488 -7.400 -26.030 1.00 1.43 N ATOM 1572 CA LYS A 99 31.709 -7.078 -26.759 1.00 23.52 C ATOM 1573 C LYS A 99 31.699 -7.716 -28.145 1.00 10.53 C ATOM 1574 O LYS A 99 31.843 -8.931 -28.281 1.00 54.20 O ATOM 1575 CB LYS A 99 32.935 -7.554 -25.976 1.00 62.52 C ATOM 1576 CG LYS A 99 34.230 -7.474 -26.766 1.00 70.11 C ATOM 1577 CD LYS A 99 34.565 -6.041 -27.143 1.00 41.22 C ATOM 1578 CE LYS A 99 35.942 -5.940 -27.781 1.00 4.33 C ATOM 1579 NZ LYS A 99 36.103 -4.679 -28.557 1.00 2.24 N ATOM 0 H LYS A 99 30.555 -8.231 -25.442 1.00 1.43 H new ATOM 0 HA LYS A 99 31.758 -5.995 -26.877 1.00 23.52 H new ATOM 0 HB2 LYS A 99 33.033 -6.954 -25.071 1.00 62.52 H new ATOM 0 HB3 LYS A 99 32.776 -8.585 -25.659 1.00 62.52 H new ATOM 0 HG2 LYS A 99 35.044 -7.896 -26.176 1.00 70.11 H new ATOM 0 HG3 LYS A 99 34.144 -8.078 -27.669 1.00 70.11 H new ATOM 0 HD2 LYS A 99 33.814 -5.660 -27.835 1.00 41.22 H new ATOM 0 HD3 LYS A 99 34.528 -5.412 -26.254 1.00 41.22 H new ATOM 0 HE2 LYS A 99 36.706 -5.989 -27.005 1.00 4.33 H new ATOM 0 HE3 LYS A 99 36.101 -6.794 -28.439 1.00 4.33 H new ATOM 0 HZ1 LYS A 99 37.054 -4.648 -28.976 1.00 2.24 H new ATOM 0 HZ2 LYS A 99 35.390 -4.644 -29.314 1.00 2.24 H new ATOM 0 HZ3 LYS A 99 35.977 -3.863 -27.924 1.00 2.24 H new TER 1593 LYS A 99