USER MOD reduce.3.24.130724 H: found=0, std=0, add=614, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 612 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 49 TYR OH : rot 130:sc=-0.00267 USER MOD Set 1.2: A 53 ASN : amide:sc= -0.0603 K(o=-0.063,f=-1.2) USER MOD Set 2.1: A 11 HIS : no HD1:sc= -0.463 K(o=-2.1,f=-4.1) USER MOD Set 2.2: A 31 ASN : amide:sc= -1.65 X(o=-2.1,f=-2.3) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 143:sc= 0.0239 (180deg=-0.241) USER MOD Single : A 2 ASN : amide:sc= 0 X(o=0,f=-0.027) USER MOD Single : A 9 TYR OH : rot 180:sc= -0.641 USER MOD Single : A 13 ASN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 17 LYS NZ :NH3+ -136:sc= 0.0413 (180deg=0) USER MOD Single : A 18 SER OG : rot 26:sc= 0.0267 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot -53:sc= 0.832 USER MOD Single : A 25 GLN : amide:sc= -1.26 X(o=-1.3,f=-1.4) USER MOD Single : A 33 ASN : amide:sc= -0.219 X(o=-0.22,f=-0.39) USER MOD Single : A 35 LYS NZ :NH3+ -167:sc= -0.067 (180deg=-0.367) USER MOD Single : A 37 SER OG : rot -89:sc= 0.0474 USER MOD Single : A 38 SER OG : rot 65:sc= 0.58 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= -1.15 USER MOD Single : A 66 TYR OH : rot 180:sc= -0.54 USER MOD Single : A 67 SER OG : rot -62:sc= 0.994 USER MOD Single : A 68 SER OG : rot 99:sc= 0.68 USER MOD Single : A 71 SER OG : rot -46:sc= 1.19 USER MOD Single : A 77 ASN :FLIP amide:sc= -2.99 F(o=-3.6,f=-3) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= -0.912 USER MOD Single : A 84 GLN : amide:sc= -5.5! C(o=-5.5!,f=-10!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.405 -7.981 -13.817 1.00 4.41 N ATOM 2 CA MET A 1 -0.565 -7.497 -12.450 1.00 62.43 C ATOM 3 C MET A 1 -0.908 -6.011 -12.436 1.00 31.32 C ATOM 4 O MET A 1 -0.432 -5.247 -13.274 1.00 10.22 O ATOM 5 CB MET A 1 0.713 -7.746 -11.646 1.00 14.41 C ATOM 6 CG MET A 1 1.959 -7.161 -12.289 1.00 43.45 C ATOM 7 SD MET A 1 2.992 -6.265 -11.114 1.00 44.43 S ATOM 8 CE MET A 1 3.544 -4.893 -12.126 1.00 25.33 C ATOM 0 H1 MET A 1 0.363 -8.681 -13.850 1.00 4.41 H new ATOM 0 H2 MET A 1 -1.291 -8.424 -14.134 1.00 4.41 H new ATOM 0 H3 MET A 1 -0.173 -7.183 -14.443 1.00 4.41 H new ATOM 0 HA MET A 1 -1.387 -8.045 -11.990 1.00 62.43 H new ATOM 0 HB2 MET A 1 0.594 -7.320 -10.650 1.00 14.41 H new ATOM 0 HB3 MET A 1 0.849 -8.820 -11.520 1.00 14.41 H new ATOM 0 HG2 MET A 1 2.542 -7.964 -12.740 1.00 43.45 H new ATOM 0 HG3 MET A 1 1.666 -6.489 -13.095 1.00 43.45 H new ATOM 0 HE1 MET A 1 4.195 -4.246 -11.538 1.00 25.33 H new ATOM 0 HE2 MET A 1 4.093 -5.274 -12.987 1.00 25.33 H new ATOM 0 HE3 MET A 1 2.680 -4.324 -12.469 1.00 25.33 H new ATOM 18 N ASN A 2 -1.738 -5.609 -11.478 1.00 63.43 N ATOM 19 CA ASN A 2 -2.145 -4.214 -11.356 1.00 31.41 C ATOM 20 C ASN A 2 -1.984 -3.725 -9.920 1.00 42.40 C ATOM 21 O ASN A 2 -1.778 -4.518 -9.002 1.00 44.03 O ATOM 22 CB ASN A 2 -3.598 -4.045 -11.804 1.00 50.44 C ATOM 23 CG ASN A 2 -3.760 -4.187 -13.305 1.00 51.35 C ATOM 24 OD1 ASN A 2 -3.692 -5.290 -13.847 1.00 20.44 O ATOM 25 ND2 ASN A 2 -3.976 -3.067 -13.986 1.00 2.12 N ATOM 0 H ASN A 2 -2.141 -6.229 -10.776 1.00 63.43 H new ATOM 0 HA ASN A 2 -1.501 -3.615 -12.000 1.00 31.41 H new ATOM 0 HB2 ASN A 2 -4.219 -4.787 -11.302 1.00 50.44 H new ATOM 0 HB3 ASN A 2 -3.960 -3.065 -11.493 1.00 50.44 H new ATOM 0 HD21 ASN A 2 -4.093 -3.100 -14.999 1.00 2.12 H new ATOM 0 HD22 ASN A 2 -4.025 -2.174 -13.496 1.00 2.12 H new ATOM 32 N ALA A 3 -2.080 -2.412 -9.734 1.00 60.20 N ATOM 33 CA ALA A 3 -1.948 -1.816 -8.410 1.00 64.53 C ATOM 34 C ALA A 3 -2.356 -0.347 -8.426 1.00 31.40 C ATOM 35 O ALA A 3 -1.540 0.536 -8.167 1.00 42.43 O ATOM 36 CB ALA A 3 -0.520 -1.964 -7.906 1.00 2.14 C ATOM 0 H ALA A 3 -2.249 -1.741 -10.484 1.00 60.20 H new ATOM 0 HA ALA A 3 -2.618 -2.344 -7.732 1.00 64.53 H new ATOM 0 HB1 ALA A 3 -0.435 -1.515 -6.916 1.00 2.14 H new ATOM 0 HB2 ALA A 3 -0.262 -3.022 -7.848 1.00 2.14 H new ATOM 0 HB3 ALA A 3 0.162 -1.462 -8.592 1.00 2.14 H new ATOM 42 N ALA A 4 -3.624 -0.094 -8.732 1.00 14.02 N ATOM 43 CA ALA A 4 -4.141 1.268 -8.780 1.00 11.11 C ATOM 44 C ALA A 4 -5.622 1.307 -8.419 1.00 31.53 C ATOM 45 O ALA A 4 -6.265 0.266 -8.287 1.00 22.41 O ATOM 46 CB ALA A 4 -3.916 1.869 -10.159 1.00 55.44 C ATOM 0 H ALA A 4 -4.312 -0.814 -8.950 1.00 14.02 H new ATOM 0 HA ALA A 4 -3.599 1.862 -8.044 1.00 11.11 H new ATOM 0 HB1 ALA A 4 -4.307 2.886 -10.181 1.00 55.44 H new ATOM 0 HB2 ALA A 4 -2.849 1.886 -10.379 1.00 55.44 H new ATOM 0 HB3 ALA A 4 -4.431 1.266 -10.907 1.00 55.44 H new ATOM 52 N GLU A 5 -6.157 2.513 -8.260 1.00 3.34 N ATOM 53 CA GLU A 5 -7.562 2.686 -7.912 1.00 33.52 C ATOM 54 C GLU A 5 -8.412 2.882 -9.164 1.00 33.12 C ATOM 55 O GLU A 5 -8.474 3.978 -9.721 1.00 5.12 O ATOM 56 CB GLU A 5 -7.735 3.881 -6.972 1.00 34.50 C ATOM 57 CG GLU A 5 -6.692 3.943 -5.869 1.00 13.41 C ATOM 58 CD GLU A 5 -7.033 4.965 -4.802 1.00 2.34 C ATOM 59 OE1 GLU A 5 -7.816 4.630 -3.888 1.00 61.23 O ATOM 60 OE2 GLU A 5 -6.517 6.100 -4.879 1.00 61.34 O ATOM 0 H GLU A 5 -5.639 3.385 -8.367 1.00 3.34 H new ATOM 0 HA GLU A 5 -7.898 1.782 -7.403 1.00 33.52 H new ATOM 0 HB2 GLU A 5 -7.690 4.801 -7.555 1.00 34.50 H new ATOM 0 HB3 GLU A 5 -8.726 3.837 -6.521 1.00 34.50 H new ATOM 0 HG2 GLU A 5 -6.597 2.960 -5.408 1.00 13.41 H new ATOM 0 HG3 GLU A 5 -5.723 4.186 -6.304 1.00 13.41 H new ATOM 67 N VAL A 6 -9.067 1.811 -9.602 1.00 22.24 N ATOM 68 CA VAL A 6 -9.914 1.864 -10.787 1.00 40.20 C ATOM 69 C VAL A 6 -11.309 1.327 -10.490 1.00 33.21 C ATOM 70 O VAL A 6 -11.463 0.310 -9.813 1.00 25.14 O ATOM 71 CB VAL A 6 -9.303 1.060 -11.950 1.00 40.21 C ATOM 72 CG1 VAL A 6 -10.354 0.776 -13.013 1.00 24.54 C ATOM 73 CG2 VAL A 6 -8.118 1.804 -12.546 1.00 64.15 C ATOM 0 H VAL A 6 -9.027 0.896 -9.153 1.00 22.24 H new ATOM 0 HA VAL A 6 -9.986 2.912 -11.078 1.00 40.20 H new ATOM 0 HB VAL A 6 -8.946 0.106 -11.562 1.00 40.21 H new ATOM 0 HG11 VAL A 6 -9.904 0.207 -13.827 1.00 24.54 H new ATOM 0 HG12 VAL A 6 -11.169 0.200 -12.574 1.00 24.54 H new ATOM 0 HG13 VAL A 6 -10.743 1.718 -13.400 1.00 24.54 H new ATOM 0 HG21 VAL A 6 -7.698 1.222 -13.366 1.00 64.15 H new ATOM 0 HG22 VAL A 6 -8.448 2.773 -12.920 1.00 64.15 H new ATOM 0 HG23 VAL A 6 -7.358 1.951 -11.779 1.00 64.15 H new ATOM 83 N ILE A 7 -12.324 2.016 -11.001 1.00 61.33 N ATOM 84 CA ILE A 7 -13.707 1.606 -10.792 1.00 51.40 C ATOM 85 C ILE A 7 -14.567 1.933 -12.008 1.00 51.12 C ATOM 86 O ILE A 7 -14.766 3.100 -12.346 1.00 14.23 O ATOM 87 CB ILE A 7 -14.314 2.287 -9.551 1.00 22.34 C ATOM 88 CG1 ILE A 7 -15.802 1.952 -9.435 1.00 55.53 C ATOM 89 CG2 ILE A 7 -14.107 3.792 -9.618 1.00 11.53 C ATOM 90 CD1 ILE A 7 -16.261 1.718 -8.013 1.00 23.20 C ATOM 0 H ILE A 7 -12.214 2.860 -11.563 1.00 61.33 H new ATOM 0 HA ILE A 7 -13.696 0.527 -10.637 1.00 51.40 H new ATOM 0 HB ILE A 7 -13.806 1.910 -8.663 1.00 22.34 H new ATOM 0 HG12 ILE A 7 -16.384 2.767 -9.866 1.00 55.53 H new ATOM 0 HG13 ILE A 7 -16.013 1.061 -10.027 1.00 55.53 H new ATOM 0 HG21 ILE A 7 -14.541 4.259 -8.734 1.00 11.53 H new ATOM 0 HG22 ILE A 7 -13.040 4.011 -9.657 1.00 11.53 H new ATOM 0 HG23 ILE A 7 -14.591 4.186 -10.511 1.00 11.53 H new ATOM 0 HD11 ILE A 7 -17.326 1.486 -8.008 1.00 23.20 H new ATOM 0 HD12 ILE A 7 -15.706 0.884 -7.584 1.00 23.20 H new ATOM 0 HD13 ILE A 7 -16.083 2.616 -7.421 1.00 23.20 H new ATOM 102 N VAL A 8 -15.076 0.894 -12.662 1.00 53.14 N ATOM 103 CA VAL A 8 -15.918 1.070 -13.840 1.00 31.01 C ATOM 104 C VAL A 8 -17.178 0.217 -13.747 1.00 13.11 C ATOM 105 O VAL A 8 -17.232 -0.749 -12.985 1.00 40.13 O ATOM 106 CB VAL A 8 -15.160 0.707 -15.131 1.00 12.42 C ATOM 107 CG1 VAL A 8 -13.792 1.372 -15.151 1.00 60.34 C ATOM 108 CG2 VAL A 8 -15.031 -0.802 -15.266 1.00 72.32 C ATOM 0 H VAL A 8 -14.920 -0.078 -12.396 1.00 53.14 H new ATOM 0 HA VAL A 8 -16.197 2.123 -13.875 1.00 31.01 H new ATOM 0 HB VAL A 8 -15.730 1.077 -15.983 1.00 12.42 H new ATOM 0 HG11 VAL A 8 -13.271 1.104 -16.070 1.00 60.34 H new ATOM 0 HG12 VAL A 8 -13.913 2.454 -15.104 1.00 60.34 H new ATOM 0 HG13 VAL A 8 -13.211 1.034 -14.293 1.00 60.34 H new ATOM 0 HG21 VAL A 8 -14.493 -1.041 -16.183 1.00 72.32 H new ATOM 0 HG22 VAL A 8 -14.484 -1.198 -14.411 1.00 72.32 H new ATOM 0 HG23 VAL A 8 -16.024 -1.250 -15.301 1.00 72.32 H new ATOM 118 N TYR A 9 -18.190 0.580 -14.527 1.00 14.22 N ATOM 119 CA TYR A 9 -19.452 -0.151 -14.531 1.00 51.54 C ATOM 120 C TYR A 9 -19.735 -0.740 -15.910 1.00 31.33 C ATOM 121 O TYR A 9 -19.393 -0.147 -16.932 1.00 55.01 O ATOM 122 CB TYR A 9 -20.600 0.770 -14.113 1.00 30.54 C ATOM 123 CG TYR A 9 -20.712 0.955 -12.616 1.00 52.12 C ATOM 124 CD1 TYR A 9 -19.630 1.405 -11.869 1.00 52.24 C ATOM 125 CD2 TYR A 9 -21.899 0.680 -11.949 1.00 33.40 C ATOM 126 CE1 TYR A 9 -19.728 1.576 -10.502 1.00 23.31 C ATOM 127 CE2 TYR A 9 -22.006 0.849 -10.582 1.00 72.41 C ATOM 128 CZ TYR A 9 -20.918 1.297 -9.863 1.00 62.40 C ATOM 129 OH TYR A 9 -21.020 1.465 -8.501 1.00 61.21 O ATOM 0 H TYR A 9 -18.161 1.376 -15.165 1.00 14.22 H new ATOM 0 HA TYR A 9 -19.372 -0.969 -13.815 1.00 51.54 H new ATOM 0 HB2 TYR A 9 -20.463 1.744 -14.582 1.00 30.54 H new ATOM 0 HB3 TYR A 9 -21.538 0.363 -14.492 1.00 30.54 H new ATOM 0 HD1 TYR A 9 -18.697 1.625 -12.366 1.00 52.24 H new ATOM 0 HD2 TYR A 9 -22.753 0.328 -12.509 1.00 33.40 H new ATOM 0 HE1 TYR A 9 -18.877 1.926 -9.936 1.00 23.31 H new ATOM 0 HE2 TYR A 9 -22.937 0.631 -10.079 1.00 72.41 H new ATOM 0 HH TYR A 9 -21.924 1.226 -8.209 1.00 61.21 H new ATOM 139 N GLU A 10 -20.362 -1.912 -15.927 1.00 74.23 N ATOM 140 CA GLU A 10 -20.692 -2.583 -17.179 1.00 44.15 C ATOM 141 C GLU A 10 -22.102 -2.222 -17.636 1.00 14.14 C ATOM 142 O GLU A 10 -22.759 -2.996 -18.333 1.00 22.22 O ATOM 143 CB GLU A 10 -20.568 -4.100 -17.019 1.00 51.42 C ATOM 144 CG GLU A 10 -19.293 -4.536 -16.317 1.00 52.30 C ATOM 145 CD GLU A 10 -18.615 -5.701 -17.010 1.00 45.05 C ATOM 146 OE1 GLU A 10 -18.151 -5.520 -18.156 1.00 71.41 O ATOM 147 OE2 GLU A 10 -18.547 -6.793 -16.408 1.00 40.34 O ATOM 0 H GLU A 10 -20.651 -2.416 -15.089 1.00 74.23 H new ATOM 0 HA GLU A 10 -19.986 -2.246 -17.938 1.00 44.15 H new ATOM 0 HB2 GLU A 10 -21.426 -4.469 -16.457 1.00 51.42 H new ATOM 0 HB3 GLU A 10 -20.608 -4.565 -18.004 1.00 51.42 H new ATOM 0 HG2 GLU A 10 -18.602 -3.694 -16.270 1.00 52.30 H new ATOM 0 HG3 GLU A 10 -19.526 -4.815 -15.289 1.00 52.30 H new ATOM 154 N HIS A 11 -22.563 -1.041 -17.236 1.00 41.54 N ATOM 155 CA HIS A 11 -23.896 -0.576 -17.604 1.00 2.24 C ATOM 156 C HIS A 11 -24.138 0.841 -17.091 1.00 24.20 C ATOM 157 O HIS A 11 -23.215 1.510 -16.626 1.00 63.21 O ATOM 158 CB HIS A 11 -24.960 -1.521 -17.046 1.00 32.11 C ATOM 159 CG HIS A 11 -26.000 -1.912 -18.051 1.00 25.52 C ATOM 160 ND1 HIS A 11 -27.266 -1.367 -18.075 1.00 44.25 N ATOM 161 CD2 HIS A 11 -25.954 -2.800 -19.071 1.00 72.44 C ATOM 162 CE1 HIS A 11 -27.955 -1.903 -19.067 1.00 23.33 C ATOM 163 NE2 HIS A 11 -27.181 -2.776 -19.687 1.00 74.11 N ATOM 0 H HIS A 11 -22.034 -0.389 -16.657 1.00 41.54 H new ATOM 0 HA HIS A 11 -23.963 -0.566 -18.692 1.00 2.24 H new ATOM 0 HB2 HIS A 11 -24.474 -2.421 -16.670 1.00 32.11 H new ATOM 0 HB3 HIS A 11 -25.449 -1.044 -16.197 1.00 32.11 H new ATOM 0 HD2 HIS A 11 -25.110 -3.413 -19.349 1.00 72.44 H new ATOM 0 HE1 HIS A 11 -28.977 -1.668 -19.327 1.00 23.33 H new ATOM 0 HE2 HIS A 11 -27.451 -3.341 -20.492 1.00 74.11 H new ATOM 171 N VAL A 12 -25.385 1.292 -17.180 1.00 2.32 N ATOM 172 CA VAL A 12 -25.748 2.629 -16.725 1.00 31.02 C ATOM 173 C VAL A 12 -25.488 2.791 -15.231 1.00 73.33 C ATOM 174 O VAL A 12 -25.583 1.831 -14.467 1.00 50.31 O ATOM 175 CB VAL A 12 -27.229 2.937 -17.013 1.00 74.33 C ATOM 176 CG1 VAL A 12 -28.133 2.068 -16.152 1.00 31.30 C ATOM 177 CG2 VAL A 12 -27.521 4.412 -16.786 1.00 4.41 C ATOM 0 H VAL A 12 -26.161 0.751 -17.563 1.00 2.32 H new ATOM 0 HA VAL A 12 -25.124 3.331 -17.278 1.00 31.02 H new ATOM 0 HB VAL A 12 -27.432 2.707 -18.059 1.00 74.33 H new ATOM 0 HG11 VAL A 12 -29.176 2.300 -16.370 1.00 31.30 H new ATOM 0 HG12 VAL A 12 -27.942 1.017 -16.369 1.00 31.30 H new ATOM 0 HG13 VAL A 12 -27.930 2.263 -15.099 1.00 31.30 H new ATOM 0 HG21 VAL A 12 -28.572 4.611 -16.994 1.00 4.41 H new ATOM 0 HG22 VAL A 12 -27.301 4.671 -15.750 1.00 4.41 H new ATOM 0 HG23 VAL A 12 -26.899 5.012 -17.450 1.00 4.41 H new ATOM 187 N ASN A 13 -25.160 4.012 -14.822 1.00 75.00 N ATOM 188 CA ASN A 13 -24.887 4.300 -13.419 1.00 3.12 C ATOM 189 C ASN A 13 -26.020 3.798 -12.529 1.00 50.33 C ATOM 190 O ASN A 13 -25.797 3.025 -11.598 1.00 23.22 O ATOM 191 CB ASN A 13 -24.690 5.804 -13.214 1.00 72.43 C ATOM 192 CG ASN A 13 -23.751 6.113 -12.064 1.00 71.24 C ATOM 193 OD1 ASN A 13 -23.800 5.467 -11.017 1.00 53.23 O ATOM 194 ND2 ASN A 13 -22.889 7.105 -12.255 1.00 32.10 N ATOM 0 H ASN A 13 -25.077 4.818 -15.442 1.00 75.00 H new ATOM 0 HA ASN A 13 -23.972 3.779 -13.139 1.00 3.12 H new ATOM 0 HB2 ASN A 13 -24.295 6.244 -14.130 1.00 72.43 H new ATOM 0 HB3 ASN A 13 -25.656 6.272 -13.026 1.00 72.43 H new ATOM 0 HD21 ASN A 13 -22.232 7.359 -11.517 1.00 32.10 H new ATOM 0 HD22 ASN A 13 -22.884 7.613 -13.139 1.00 32.10 H new ATOM 201 N PHE A 14 -27.237 4.243 -12.823 1.00 51.54 N ATOM 202 CA PHE A 14 -28.406 3.840 -12.051 1.00 11.35 C ATOM 203 C PHE A 14 -28.996 2.542 -12.593 1.00 63.25 C ATOM 204 O PHE A 14 -30.213 2.393 -12.692 1.00 41.53 O ATOM 205 CB PHE A 14 -29.466 4.944 -12.075 1.00 5.00 C ATOM 206 CG PHE A 14 -29.841 5.384 -13.461 1.00 60.01 C ATOM 207 CD1 PHE A 14 -29.133 6.391 -14.098 1.00 75.53 C ATOM 208 CD2 PHE A 14 -30.902 4.791 -14.127 1.00 1.33 C ATOM 209 CE1 PHE A 14 -29.476 6.798 -15.374 1.00 71.50 C ATOM 210 CE2 PHE A 14 -31.249 5.194 -15.403 1.00 21.24 C ATOM 211 CZ PHE A 14 -30.536 6.199 -16.027 1.00 20.15 C ATOM 0 H PHE A 14 -27.439 4.883 -13.591 1.00 51.54 H new ATOM 0 HA PHE A 14 -28.089 3.672 -11.022 1.00 11.35 H new ATOM 0 HB2 PHE A 14 -30.359 4.590 -11.560 1.00 5.00 H new ATOM 0 HB3 PHE A 14 -29.096 5.804 -11.517 1.00 5.00 H new ATOM 0 HD1 PHE A 14 -28.304 6.863 -13.592 1.00 75.53 H new ATOM 0 HD2 PHE A 14 -31.464 4.005 -13.644 1.00 1.33 H new ATOM 0 HE1 PHE A 14 -28.916 7.583 -15.860 1.00 71.50 H new ATOM 0 HE2 PHE A 14 -32.077 4.723 -15.912 1.00 21.24 H new ATOM 0 HZ PHE A 14 -30.807 6.516 -17.023 1.00 20.15 H new ATOM 221 N GLY A 15 -28.122 1.603 -12.945 1.00 2.30 N ATOM 222 CA GLY A 15 -28.574 0.330 -13.474 1.00 65.13 C ATOM 223 C GLY A 15 -27.428 -0.535 -13.962 1.00 2.24 C ATOM 224 O GLY A 15 -27.455 -1.039 -15.083 1.00 71.33 O ATOM 0 H GLY A 15 -27.109 1.702 -12.873 1.00 2.30 H new ATOM 0 HA2 GLY A 15 -29.126 -0.206 -12.702 1.00 65.13 H new ATOM 0 HA3 GLY A 15 -29.267 0.507 -14.296 1.00 65.13 H new ATOM 228 N GLY A 16 -26.416 -0.705 -13.116 1.00 62.31 N ATOM 229 CA GLY A 16 -25.269 -1.514 -13.486 1.00 4.32 C ATOM 230 C GLY A 16 -24.478 -1.983 -12.281 1.00 20.52 C ATOM 231 O GLY A 16 -24.671 -1.489 -11.170 1.00 53.41 O ATOM 0 H GLY A 16 -26.370 -0.297 -12.182 1.00 62.31 H new ATOM 0 HA2 GLY A 16 -25.607 -2.380 -14.054 1.00 4.32 H new ATOM 0 HA3 GLY A 16 -24.618 -0.937 -14.142 1.00 4.32 H new ATOM 235 N LYS A 17 -23.585 -2.943 -12.499 1.00 32.25 N ATOM 236 CA LYS A 17 -22.762 -3.481 -11.422 1.00 61.52 C ATOM 237 C LYS A 17 -21.467 -2.688 -11.279 1.00 12.14 C ATOM 238 O LYS A 17 -21.001 -2.064 -12.232 1.00 74.11 O ATOM 239 CB LYS A 17 -22.443 -4.955 -11.685 1.00 21.05 C ATOM 240 CG LYS A 17 -21.304 -5.165 -12.667 1.00 23.22 C ATOM 241 CD LYS A 17 -20.028 -5.589 -11.959 1.00 21.42 C ATOM 242 CE LYS A 17 -20.170 -6.969 -11.333 1.00 42.35 C ATOM 243 NZ LYS A 17 -19.654 -7.000 -9.937 1.00 23.30 N ATOM 0 H LYS A 17 -23.413 -3.364 -13.412 1.00 32.25 H new ATOM 0 HA LYS A 17 -23.324 -3.397 -10.492 1.00 61.52 H new ATOM 0 HB2 LYS A 17 -22.191 -5.438 -10.741 1.00 21.05 H new ATOM 0 HB3 LYS A 17 -23.337 -5.449 -12.067 1.00 21.05 H new ATOM 0 HG2 LYS A 17 -21.586 -5.925 -13.396 1.00 23.22 H new ATOM 0 HG3 LYS A 17 -21.125 -4.243 -13.220 1.00 23.22 H new ATOM 0 HD2 LYS A 17 -19.201 -5.594 -12.669 1.00 21.42 H new ATOM 0 HD3 LYS A 17 -19.780 -4.861 -11.186 1.00 21.42 H new ATOM 0 HE2 LYS A 17 -21.219 -7.264 -11.339 1.00 42.35 H new ATOM 0 HE3 LYS A 17 -19.630 -7.699 -11.936 1.00 42.35 H new ATOM 0 HZ1 LYS A 17 -19.085 -7.859 -9.796 1.00 23.30 H new ATOM 0 HZ2 LYS A 17 -19.063 -6.161 -9.767 1.00 23.30 H new ATOM 0 HZ3 LYS A 17 -20.453 -7.001 -9.271 1.00 23.30 H new ATOM 257 N SER A 18 -20.890 -2.717 -10.082 1.00 31.25 N ATOM 258 CA SER A 18 -19.650 -1.999 -9.813 1.00 11.50 C ATOM 259 C SER A 18 -18.439 -2.894 -10.057 1.00 73.20 C ATOM 260 O SER A 18 -18.383 -4.027 -9.577 1.00 14.51 O ATOM 261 CB SER A 18 -19.636 -1.484 -8.372 1.00 41.13 C ATOM 262 OG SER A 18 -19.906 -2.529 -7.455 1.00 32.34 O ATOM 0 H SER A 18 -21.262 -3.230 -9.283 1.00 31.25 H new ATOM 0 HA SER A 18 -19.596 -1.151 -10.495 1.00 11.50 H new ATOM 0 HB2 SER A 18 -18.664 -1.043 -8.150 1.00 41.13 H new ATOM 0 HB3 SER A 18 -20.379 -0.694 -8.257 1.00 41.13 H new ATOM 0 HG SER A 18 -19.642 -3.387 -7.849 1.00 32.34 H new ATOM 268 N PHE A 19 -17.471 -2.378 -10.807 1.00 73.32 N ATOM 269 CA PHE A 19 -16.261 -3.130 -11.117 1.00 70.40 C ATOM 270 C PHE A 19 -15.017 -2.368 -10.669 1.00 34.31 C ATOM 271 O PHE A 19 -14.545 -1.467 -11.362 1.00 70.22 O ATOM 272 CB PHE A 19 -16.184 -3.418 -12.618 1.00 3.41 C ATOM 273 CG PHE A 19 -15.803 -4.835 -12.938 1.00 51.22 C ATOM 274 CD1 PHE A 19 -14.558 -5.329 -12.584 1.00 41.43 C ATOM 275 CD2 PHE A 19 -16.690 -5.673 -13.594 1.00 34.12 C ATOM 276 CE1 PHE A 19 -14.204 -6.632 -12.877 1.00 75.42 C ATOM 277 CE2 PHE A 19 -16.343 -6.978 -13.889 1.00 2.21 C ATOM 278 CZ PHE A 19 -15.098 -7.458 -13.531 1.00 40.34 C ATOM 0 H PHE A 19 -17.501 -1.442 -11.211 1.00 73.32 H new ATOM 0 HA PHE A 19 -16.302 -4.075 -10.575 1.00 70.40 H new ATOM 0 HB2 PHE A 19 -17.150 -3.199 -13.072 1.00 3.41 H new ATOM 0 HB3 PHE A 19 -15.458 -2.744 -13.072 1.00 3.41 H new ATOM 0 HD1 PHE A 19 -13.855 -4.688 -12.073 1.00 41.43 H new ATOM 0 HD2 PHE A 19 -17.664 -5.302 -13.878 1.00 34.12 H new ATOM 0 HE1 PHE A 19 -13.230 -7.004 -12.595 1.00 75.42 H new ATOM 0 HE2 PHE A 19 -17.044 -7.622 -14.399 1.00 2.21 H new ATOM 0 HZ PHE A 19 -14.824 -8.477 -13.762 1.00 40.34 H new ATOM 288 N ASP A 20 -14.493 -2.736 -9.505 1.00 61.22 N ATOM 289 CA ASP A 20 -13.304 -2.088 -8.963 1.00 61.55 C ATOM 290 C ASP A 20 -12.050 -2.893 -9.291 1.00 42.23 C ATOM 291 O ASP A 20 -11.828 -3.969 -8.737 1.00 74.14 O ATOM 292 CB ASP A 20 -13.435 -1.919 -7.449 1.00 43.11 C ATOM 293 CG ASP A 20 -13.944 -3.174 -6.768 1.00 1.12 C ATOM 294 OD1 ASP A 20 -15.178 -3.353 -6.701 1.00 62.44 O ATOM 295 OD2 ASP A 20 -13.109 -3.976 -6.300 1.00 64.34 O ATOM 0 H ASP A 20 -14.873 -3.479 -8.919 1.00 61.22 H new ATOM 0 HA ASP A 20 -13.214 -1.104 -9.424 1.00 61.55 H new ATOM 0 HB2 ASP A 20 -12.465 -1.650 -7.031 1.00 43.11 H new ATOM 0 HB3 ASP A 20 -14.113 -1.093 -7.236 1.00 43.11 H new ATOM 300 N ALA A 21 -11.233 -2.363 -10.196 1.00 71.22 N ATOM 301 CA ALA A 21 -10.001 -3.031 -10.597 1.00 72.12 C ATOM 302 C ALA A 21 -8.894 -2.801 -9.574 1.00 70.30 C ATOM 303 O ALA A 21 -8.455 -1.671 -9.362 1.00 1.54 O ATOM 304 CB ALA A 21 -9.562 -2.547 -11.971 1.00 65.31 C ATOM 0 H ALA A 21 -11.402 -1.473 -10.665 1.00 71.22 H new ATOM 0 HA ALA A 21 -10.197 -4.102 -10.647 1.00 72.12 H new ATOM 0 HB1 ALA A 21 -8.641 -3.054 -12.258 1.00 65.31 H new ATOM 0 HB2 ALA A 21 -10.341 -2.769 -12.701 1.00 65.31 H new ATOM 0 HB3 ALA A 21 -9.390 -1.471 -11.940 1.00 65.31 H new ATOM 310 N THR A 22 -8.446 -3.881 -8.941 1.00 31.12 N ATOM 311 CA THR A 22 -7.392 -3.797 -7.938 1.00 44.14 C ATOM 312 C THR A 22 -6.463 -5.004 -8.014 1.00 15.20 C ATOM 313 O THR A 22 -6.527 -5.789 -8.960 1.00 23.23 O ATOM 314 CB THR A 22 -7.975 -3.701 -6.516 1.00 40.50 C ATOM 315 OG1 THR A 22 -8.522 -4.964 -6.124 1.00 73.43 O ATOM 316 CG2 THR A 22 -9.054 -2.631 -6.445 1.00 53.12 C ATOM 0 H THR A 22 -8.797 -4.824 -9.106 1.00 31.12 H new ATOM 0 HA THR A 22 -6.825 -2.891 -8.151 1.00 44.14 H new ATOM 0 HB THR A 22 -7.169 -3.428 -5.835 1.00 40.50 H new ATOM 0 HG1 THR A 22 -8.889 -4.895 -5.218 1.00 73.43 H new ATOM 0 HG21 THR A 22 -9.451 -2.581 -5.431 1.00 53.12 H new ATOM 0 HG22 THR A 22 -8.627 -1.665 -6.715 1.00 53.12 H new ATOM 0 HG23 THR A 22 -9.858 -2.879 -7.138 1.00 53.12 H new ATOM 324 N SER A 23 -5.602 -5.146 -7.011 1.00 73.05 N ATOM 325 CA SER A 23 -4.658 -6.257 -6.966 1.00 54.44 C ATOM 326 C SER A 23 -5.360 -7.550 -6.564 1.00 32.02 C ATOM 327 O SER A 23 -5.033 -8.155 -5.542 1.00 54.34 O ATOM 328 CB SER A 23 -3.525 -5.951 -5.985 1.00 14.02 C ATOM 329 OG SER A 23 -2.825 -4.778 -6.363 1.00 34.31 O ATOM 0 H SER A 23 -5.539 -4.506 -6.219 1.00 73.05 H new ATOM 0 HA SER A 23 -4.239 -6.387 -7.964 1.00 54.44 H new ATOM 0 HB2 SER A 23 -3.932 -5.828 -4.981 1.00 14.02 H new ATOM 0 HB3 SER A 23 -2.835 -6.794 -5.948 1.00 14.02 H new ATOM 0 HG SER A 23 -2.535 -4.856 -7.296 1.00 34.31 H new ATOM 335 N ASP A 24 -6.326 -7.968 -7.374 1.00 73.11 N ATOM 336 CA ASP A 24 -7.075 -9.190 -7.104 1.00 61.34 C ATOM 337 C ASP A 24 -7.733 -9.716 -8.376 1.00 61.32 C ATOM 338 O ASP A 24 -7.694 -10.914 -8.656 1.00 35.13 O ATOM 339 CB ASP A 24 -8.137 -8.937 -6.033 1.00 63.41 C ATOM 340 CG ASP A 24 -8.202 -10.053 -5.008 1.00 53.23 C ATOM 341 OD1 ASP A 24 -7.133 -10.579 -4.635 1.00 20.24 O ATOM 342 OD2 ASP A 24 -9.323 -10.399 -4.579 1.00 43.43 O ATOM 0 H ASP A 24 -6.609 -7.479 -8.223 1.00 73.11 H new ATOM 0 HA ASP A 24 -6.375 -9.942 -6.740 1.00 61.34 H new ATOM 0 HB2 ASP A 24 -7.922 -7.995 -5.528 1.00 63.41 H new ATOM 0 HB3 ASP A 24 -9.111 -8.828 -6.510 1.00 63.41 H new ATOM 347 N GLN A 25 -8.336 -8.813 -9.141 1.00 54.55 N ATOM 348 CA GLN A 25 -9.004 -9.187 -10.382 1.00 53.45 C ATOM 349 C GLN A 25 -7.995 -9.359 -11.513 1.00 74.30 C ATOM 350 O GLN A 25 -6.892 -8.814 -11.482 1.00 21.23 O ATOM 351 CB GLN A 25 -10.042 -8.131 -10.766 1.00 53.41 C ATOM 352 CG GLN A 25 -9.500 -6.711 -10.751 1.00 44.44 C ATOM 353 CD GLN A 25 -9.588 -6.038 -12.107 1.00 61.01 C ATOM 354 OE1 GLN A 25 -10.672 -5.670 -12.561 1.00 2.32 O ATOM 355 NE2 GLN A 25 -8.445 -5.874 -12.762 1.00 43.13 N ATOM 0 H GLN A 25 -8.376 -7.817 -8.924 1.00 54.55 H new ATOM 0 HA GLN A 25 -9.508 -10.140 -10.220 1.00 53.45 H new ATOM 0 HB2 GLN A 25 -10.424 -8.355 -11.762 1.00 53.41 H new ATOM 0 HB3 GLN A 25 -10.886 -8.196 -10.079 1.00 53.41 H new ATOM 0 HG2 GLN A 25 -10.055 -6.122 -10.021 1.00 44.44 H new ATOM 0 HG3 GLN A 25 -8.460 -6.726 -10.424 1.00 44.44 H new ATOM 0 HE21 GLN A 25 -7.570 -6.194 -12.348 1.00 43.13 H new ATOM 0 HE22 GLN A 25 -8.442 -5.428 -13.679 1.00 43.13 H new ATOM 364 N PRO A 26 -8.380 -10.136 -12.537 1.00 11.03 N ATOM 365 CA PRO A 26 -7.523 -10.398 -13.697 1.00 34.31 C ATOM 366 C PRO A 26 -7.093 -9.116 -14.401 1.00 71.34 C ATOM 367 O PRO A 26 -5.940 -8.699 -14.303 1.00 21.24 O ATOM 368 CB PRO A 26 -8.416 -11.239 -14.614 1.00 4.22 C ATOM 369 CG PRO A 26 -9.798 -11.020 -14.102 1.00 45.12 C ATOM 370 CD PRO A 26 -9.681 -10.817 -12.641 1.00 34.45 C ATOM 0 HA PRO A 26 -6.593 -10.892 -13.414 1.00 34.31 H new ATOM 0 HB2 PRO A 26 -8.324 -10.924 -15.653 1.00 4.22 H new ATOM 0 HB3 PRO A 26 -8.142 -12.293 -14.575 1.00 4.22 H new ATOM 0 HG2 PRO A 26 -10.255 -10.152 -14.578 1.00 45.12 H new ATOM 0 HG3 PRO A 26 -10.434 -11.877 -14.324 1.00 45.12 H new ATOM 0 HD2 PRO A 26 -10.494 -10.208 -12.246 1.00 34.45 H new ATOM 0 HD3 PRO A 26 -9.694 -11.760 -12.094 1.00 34.45 H new ATOM 378 N GLY A 27 -8.029 -8.495 -15.113 1.00 44.40 N ATOM 379 CA GLY A 27 -7.726 -7.266 -15.823 1.00 51.24 C ATOM 380 C GLY A 27 -8.951 -6.658 -16.479 1.00 25.53 C ATOM 381 O GLY A 27 -9.115 -5.439 -16.491 1.00 75.14 O ATOM 0 H GLY A 27 -8.991 -8.821 -15.211 1.00 44.40 H new ATOM 0 HA2 GLY A 27 -7.294 -6.546 -15.128 1.00 51.24 H new ATOM 0 HA3 GLY A 27 -6.972 -7.466 -16.584 1.00 51.24 H new ATOM 385 N ALA A 28 -9.811 -7.511 -17.026 1.00 41.22 N ATOM 386 CA ALA A 28 -11.026 -7.051 -17.686 1.00 55.11 C ATOM 387 C ALA A 28 -12.193 -7.993 -17.406 1.00 42.43 C ATOM 388 O ALA A 28 -12.014 -9.063 -16.826 1.00 50.34 O ATOM 389 CB ALA A 28 -10.797 -6.923 -19.185 1.00 11.53 C ATOM 0 H ALA A 28 -9.689 -8.524 -17.025 1.00 41.22 H new ATOM 0 HA ALA A 28 -11.279 -6.070 -17.283 1.00 55.11 H new ATOM 0 HB1 ALA A 28 -11.713 -6.579 -19.665 1.00 11.53 H new ATOM 0 HB2 ALA A 28 -9.998 -6.205 -19.371 1.00 11.53 H new ATOM 0 HB3 ALA A 28 -10.516 -7.893 -19.594 1.00 11.53 H new ATOM 395 N GLY A 29 -13.389 -7.586 -17.822 1.00 63.21 N ATOM 396 CA GLY A 29 -14.567 -8.405 -17.606 1.00 60.30 C ATOM 397 C GLY A 29 -15.520 -8.372 -18.784 1.00 52.02 C ATOM 398 O GLY A 29 -15.409 -7.511 -19.657 1.00 12.20 O ATOM 0 H GLY A 29 -13.562 -6.704 -18.304 1.00 63.21 H new ATOM 0 HA2 GLY A 29 -14.261 -9.434 -17.419 1.00 60.30 H new ATOM 0 HA3 GLY A 29 -15.087 -8.060 -16.712 1.00 60.30 H new ATOM 402 N ASP A 30 -16.458 -9.312 -18.811 1.00 33.12 N ATOM 403 CA ASP A 30 -17.435 -9.388 -19.891 1.00 43.43 C ATOM 404 C ASP A 30 -18.782 -8.827 -19.446 1.00 42.25 C ATOM 405 O ASP A 30 -19.045 -8.692 -18.252 1.00 51.34 O ATOM 406 CB ASP A 30 -17.600 -10.835 -20.358 1.00 42.20 C ATOM 407 CG ASP A 30 -17.020 -11.067 -21.739 1.00 63.32 C ATOM 408 OD1 ASP A 30 -15.876 -10.629 -21.984 1.00 52.35 O ATOM 409 OD2 ASP A 30 -17.709 -11.689 -22.575 1.00 3.23 O ATOM 0 H ASP A 30 -16.563 -10.033 -18.097 1.00 33.12 H new ATOM 0 HA ASP A 30 -17.068 -8.786 -20.722 1.00 43.43 H new ATOM 0 HB2 ASP A 30 -17.113 -11.501 -19.646 1.00 42.20 H new ATOM 0 HB3 ASP A 30 -18.659 -11.093 -20.364 1.00 42.20 H new ATOM 414 N ASN A 31 -19.631 -8.501 -20.416 1.00 23.01 N ATOM 415 CA ASN A 31 -20.950 -7.953 -20.124 1.00 53.11 C ATOM 416 C ASN A 31 -21.942 -8.306 -21.228 1.00 52.45 C ATOM 417 O ASN A 31 -21.550 -8.652 -22.343 1.00 65.14 O ATOM 418 CB ASN A 31 -20.870 -6.434 -19.961 1.00 41.35 C ATOM 419 CG ASN A 31 -22.190 -5.828 -19.526 1.00 74.14 C ATOM 420 OD1 ASN A 31 -22.799 -5.047 -20.258 1.00 2.10 O ATOM 421 ND2 ASN A 31 -22.640 -6.187 -18.329 1.00 42.14 N ATOM 0 H ASN A 31 -19.429 -8.607 -21.410 1.00 23.01 H new ATOM 0 HA ASN A 31 -21.300 -8.393 -19.191 1.00 53.11 H new ATOM 0 HB2 ASN A 31 -20.102 -6.190 -19.227 1.00 41.35 H new ATOM 0 HB3 ASN A 31 -20.562 -5.986 -20.906 1.00 41.35 H new ATOM 0 HD21 ASN A 31 -23.523 -5.813 -17.983 1.00 42.14 H new ATOM 0 HD22 ASN A 31 -22.102 -6.837 -17.756 1.00 42.14 H new ATOM 428 N LEU A 32 -23.229 -8.214 -20.911 1.00 61.44 N ATOM 429 CA LEU A 32 -24.278 -8.523 -21.877 1.00 15.14 C ATOM 430 C LEU A 32 -24.902 -7.246 -22.430 1.00 14.45 C ATOM 431 O LEU A 32 -25.257 -6.340 -21.676 1.00 44.23 O ATOM 432 CB LEU A 32 -25.357 -9.391 -21.227 1.00 32.15 C ATOM 433 CG LEU A 32 -25.783 -10.633 -22.011 1.00 44.31 C ATOM 434 CD1 LEU A 32 -25.468 -11.895 -21.224 1.00 65.31 C ATOM 435 CD2 LEU A 32 -27.265 -10.568 -22.349 1.00 30.44 C ATOM 0 H LEU A 32 -23.571 -7.928 -19.994 1.00 61.44 H new ATOM 0 HA LEU A 32 -23.827 -9.072 -22.703 1.00 15.14 H new ATOM 0 HB2 LEU A 32 -24.998 -9.709 -20.248 1.00 32.15 H new ATOM 0 HB3 LEU A 32 -26.239 -8.773 -21.057 1.00 32.15 H new ATOM 0 HG LEU A 32 -25.220 -10.662 -22.944 1.00 44.31 H new ATOM 0 HD11 LEU A 32 -25.778 -12.768 -21.798 1.00 65.31 H new ATOM 0 HD12 LEU A 32 -24.396 -11.947 -21.034 1.00 65.31 H new ATOM 0 HD13 LEU A 32 -26.004 -11.875 -20.275 1.00 65.31 H new ATOM 0 HD21 LEU A 32 -27.550 -11.460 -22.907 1.00 30.44 H new ATOM 0 HD22 LEU A 32 -27.846 -10.514 -21.428 1.00 30.44 H new ATOM 0 HD23 LEU A 32 -27.462 -9.683 -22.954 1.00 30.44 H new ATOM 447 N ASN A 33 -25.035 -7.182 -23.750 1.00 54.14 N ATOM 448 CA ASN A 33 -25.618 -6.016 -24.405 1.00 34.15 C ATOM 449 C ASN A 33 -24.732 -4.788 -24.220 1.00 22.35 C ATOM 450 O ASN A 33 -24.490 -4.348 -23.095 1.00 71.25 O ATOM 451 CB ASN A 33 -27.016 -5.738 -23.847 1.00 70.42 C ATOM 452 CG ASN A 33 -27.837 -7.003 -23.689 1.00 73.53 C ATOM 453 OD1 ASN A 33 -28.360 -7.287 -22.611 1.00 63.22 O ATOM 454 ND2 ASN A 33 -27.955 -7.771 -24.767 1.00 3.23 N ATOM 0 H ASN A 33 -24.747 -7.924 -24.388 1.00 54.14 H new ATOM 0 HA ASN A 33 -25.695 -6.230 -25.471 1.00 34.15 H new ATOM 0 HB2 ASN A 33 -26.927 -5.243 -22.880 1.00 70.42 H new ATOM 0 HB3 ASN A 33 -27.539 -5.049 -24.511 1.00 70.42 H new ATOM 0 HD21 ASN A 33 -28.496 -8.634 -24.721 1.00 3.23 H new ATOM 0 HD22 ASN A 33 -27.505 -7.497 -25.640 1.00 3.23 H new ATOM 461 N ASP A 34 -24.251 -4.240 -25.330 1.00 22.21 N ATOM 462 CA ASP A 34 -23.392 -3.062 -25.291 1.00 73.01 C ATOM 463 C ASP A 34 -24.211 -1.802 -25.029 1.00 2.41 C ATOM 464 O ASP A 34 -24.219 -0.874 -25.839 1.00 34.15 O ATOM 465 CB ASP A 34 -22.623 -2.921 -26.606 1.00 34.52 C ATOM 466 CG ASP A 34 -21.277 -3.617 -26.566 1.00 4.51 C ATOM 467 OD1 ASP A 34 -20.661 -3.657 -25.480 1.00 34.03 O ATOM 468 OD2 ASP A 34 -20.838 -4.121 -27.621 1.00 13.33 O ATOM 0 H ASP A 34 -24.441 -4.592 -26.268 1.00 22.21 H new ATOM 0 HA ASP A 34 -22.680 -3.188 -24.475 1.00 73.01 H new ATOM 0 HB2 ASP A 34 -23.219 -3.336 -27.419 1.00 34.52 H new ATOM 0 HB3 ASP A 34 -22.476 -1.864 -26.826 1.00 34.52 H new ATOM 473 N LYS A 35 -24.899 -1.775 -23.893 1.00 20.04 N ATOM 474 CA LYS A 35 -25.721 -0.629 -23.522 1.00 71.32 C ATOM 475 C LYS A 35 -24.886 0.434 -22.815 1.00 72.34 C ATOM 476 O LYS A 35 -23.692 0.245 -22.583 1.00 63.14 O ATOM 477 CB LYS A 35 -26.873 -1.073 -22.617 1.00 61.14 C ATOM 478 CG LYS A 35 -27.823 -2.056 -23.280 1.00 23.01 C ATOM 479 CD LYS A 35 -28.387 -1.499 -24.576 1.00 11.21 C ATOM 480 CE LYS A 35 -29.158 -0.209 -24.339 1.00 71.22 C ATOM 481 NZ LYS A 35 -30.229 -0.383 -23.319 1.00 54.25 N ATOM 0 H LYS A 35 -24.904 -2.535 -23.212 1.00 20.04 H new ATOM 0 HA LYS A 35 -26.130 -0.196 -24.435 1.00 71.32 H new ATOM 0 HB2 LYS A 35 -26.462 -1.529 -21.717 1.00 61.14 H new ATOM 0 HB3 LYS A 35 -27.435 -0.194 -22.301 1.00 61.14 H new ATOM 0 HG2 LYS A 35 -27.299 -2.990 -23.482 1.00 23.01 H new ATOM 0 HG3 LYS A 35 -28.640 -2.290 -22.598 1.00 23.01 H new ATOM 0 HD2 LYS A 35 -27.574 -1.315 -25.278 1.00 11.21 H new ATOM 0 HD3 LYS A 35 -29.044 -2.238 -25.035 1.00 11.21 H new ATOM 0 HE2 LYS A 35 -28.470 0.571 -24.014 1.00 71.22 H new ATOM 0 HE3 LYS A 35 -29.601 0.127 -25.277 1.00 71.22 H new ATOM 0 HZ1 LYS A 35 -30.867 0.438 -23.342 1.00 54.25 H new ATOM 0 HZ2 LYS A 35 -30.769 -1.247 -23.527 1.00 54.25 H new ATOM 0 HZ3 LYS A 35 -29.800 -0.461 -22.375 1.00 54.25 H new ATOM 495 N ILE A 36 -25.522 1.549 -22.475 1.00 14.42 N ATOM 496 CA ILE A 36 -24.838 2.640 -21.792 1.00 50.42 C ATOM 497 C ILE A 36 -24.019 2.124 -20.614 1.00 62.03 C ATOM 498 O ILE A 36 -24.516 1.362 -19.785 1.00 54.23 O ATOM 499 CB ILE A 36 -25.834 3.700 -21.285 1.00 70.00 C ATOM 500 CG1 ILE A 36 -25.132 4.682 -20.345 1.00 15.22 C ATOM 501 CG2 ILE A 36 -27.006 3.032 -20.583 1.00 35.43 C ATOM 502 CD1 ILE A 36 -25.782 6.048 -20.304 1.00 24.01 C ATOM 0 H ILE A 36 -26.510 1.721 -22.661 1.00 14.42 H new ATOM 0 HA ILE A 36 -24.171 3.099 -22.522 1.00 50.42 H new ATOM 0 HB ILE A 36 -26.217 4.256 -22.140 1.00 70.00 H new ATOM 0 HG12 ILE A 36 -25.120 4.264 -19.339 1.00 15.22 H new ATOM 0 HG13 ILE A 36 -24.093 4.792 -20.657 1.00 15.22 H new ATOM 0 HG21 ILE A 36 -27.701 3.794 -20.230 1.00 35.43 H new ATOM 0 HG22 ILE A 36 -27.518 2.369 -21.280 1.00 35.43 H new ATOM 0 HG23 ILE A 36 -26.640 2.454 -19.734 1.00 35.43 H new ATOM 0 HD11 ILE A 36 -25.232 6.692 -19.618 1.00 24.01 H new ATOM 0 HD12 ILE A 36 -25.770 6.487 -21.302 1.00 24.01 H new ATOM 0 HD13 ILE A 36 -26.813 5.950 -19.963 1.00 24.01 H new ATOM 514 N SER A 37 -22.760 2.545 -20.546 1.00 10.51 N ATOM 515 CA SER A 37 -21.870 2.124 -19.470 1.00 52.22 C ATOM 516 C SER A 37 -21.321 3.331 -18.715 1.00 71.04 C ATOM 517 O SER A 37 -21.242 4.433 -19.258 1.00 15.12 O ATOM 518 CB SER A 37 -20.716 1.291 -20.031 1.00 73.12 C ATOM 519 OG SER A 37 -20.912 -0.089 -19.774 1.00 44.14 O ATOM 0 H SER A 37 -22.333 3.177 -21.223 1.00 10.51 H new ATOM 0 HA SER A 37 -22.445 1.513 -18.774 1.00 52.22 H new ATOM 0 HB2 SER A 37 -20.633 1.456 -21.105 1.00 73.12 H new ATOM 0 HB3 SER A 37 -19.777 1.618 -19.585 1.00 73.12 H new ATOM 0 HG SER A 37 -20.517 -0.320 -18.907 1.00 44.14 H new ATOM 525 N SER A 38 -20.942 3.114 -17.460 1.00 35.41 N ATOM 526 CA SER A 38 -20.404 4.183 -16.628 1.00 11.22 C ATOM 527 C SER A 38 -18.942 3.919 -16.282 1.00 21.32 C ATOM 528 O SER A 38 -18.638 3.138 -15.379 1.00 41.13 O ATOM 529 CB SER A 38 -21.226 4.323 -15.345 1.00 52.22 C ATOM 530 OG SER A 38 -22.509 3.740 -15.496 1.00 11.35 O ATOM 0 H SER A 38 -20.998 2.207 -16.997 1.00 35.41 H new ATOM 0 HA SER A 38 -20.464 5.114 -17.193 1.00 11.22 H new ATOM 0 HB2 SER A 38 -20.701 3.845 -14.519 1.00 52.22 H new ATOM 0 HB3 SER A 38 -21.330 5.377 -15.089 1.00 52.22 H new ATOM 0 HG SER A 38 -22.416 2.773 -15.626 1.00 11.35 H new ATOM 536 N ILE A 39 -18.041 4.574 -17.006 1.00 53.30 N ATOM 537 CA ILE A 39 -16.611 4.411 -16.776 1.00 12.43 C ATOM 538 C ILE A 39 -16.020 5.643 -16.098 1.00 63.21 C ATOM 539 O ILE A 39 -15.801 6.672 -16.737 1.00 54.41 O ATOM 540 CB ILE A 39 -15.855 4.151 -18.092 1.00 31.41 C ATOM 541 CG1 ILE A 39 -15.979 2.679 -18.494 1.00 2.44 C ATOM 542 CG2 ILE A 39 -14.393 4.545 -17.950 1.00 2.42 C ATOM 543 CD1 ILE A 39 -17.401 2.248 -18.777 1.00 64.13 C ATOM 0 H ILE A 39 -18.276 5.223 -17.757 1.00 53.30 H new ATOM 0 HA ILE A 39 -16.493 3.547 -16.122 1.00 12.43 H new ATOM 0 HB ILE A 39 -16.301 4.762 -18.877 1.00 31.41 H new ATOM 0 HG12 ILE A 39 -15.370 2.500 -19.380 1.00 2.44 H new ATOM 0 HG13 ILE A 39 -15.571 2.057 -17.697 1.00 2.44 H new ATOM 0 HG21 ILE A 39 -13.872 4.355 -18.889 1.00 2.42 H new ATOM 0 HG22 ILE A 39 -14.324 5.605 -17.705 1.00 2.42 H new ATOM 0 HG23 ILE A 39 -13.933 3.958 -17.155 1.00 2.42 H new ATOM 0 HD11 ILE A 39 -17.413 1.194 -19.056 1.00 64.13 H new ATOM 0 HD12 ILE A 39 -18.010 2.395 -17.885 1.00 64.13 H new ATOM 0 HD13 ILE A 39 -17.806 2.844 -19.595 1.00 64.13 H new ATOM 555 N LYS A 40 -15.760 5.530 -14.800 1.00 34.31 N ATOM 556 CA LYS A 40 -15.191 6.632 -14.034 1.00 63.01 C ATOM 557 C LYS A 40 -13.864 6.226 -13.400 1.00 71.33 C ATOM 558 O LYS A 40 -13.837 5.538 -12.379 1.00 50.24 O ATOM 559 CB LYS A 40 -16.169 7.085 -12.948 1.00 52.02 C ATOM 560 CG LYS A 40 -15.890 8.482 -12.422 1.00 40.44 C ATOM 561 CD LYS A 40 -15.870 8.513 -10.903 1.00 63.23 C ATOM 562 CE LYS A 40 -14.942 9.598 -10.380 1.00 1.51 C ATOM 563 NZ LYS A 40 -15.428 10.171 -9.094 1.00 50.11 N ATOM 0 H LYS A 40 -15.935 4.685 -14.256 1.00 34.31 H new ATOM 0 HA LYS A 40 -15.009 7.460 -14.718 1.00 63.01 H new ATOM 0 HB2 LYS A 40 -17.183 7.052 -13.347 1.00 52.02 H new ATOM 0 HB3 LYS A 40 -16.130 6.379 -12.118 1.00 52.02 H new ATOM 0 HG2 LYS A 40 -14.932 8.832 -12.806 1.00 40.44 H new ATOM 0 HG3 LYS A 40 -16.651 9.169 -12.791 1.00 40.44 H new ATOM 0 HD2 LYS A 40 -16.879 8.684 -10.528 1.00 63.23 H new ATOM 0 HD3 LYS A 40 -15.549 7.543 -10.522 1.00 63.23 H new ATOM 0 HE2 LYS A 40 -13.943 9.185 -10.239 1.00 1.51 H new ATOM 0 HE3 LYS A 40 -14.857 10.392 -11.122 1.00 1.51 H new ATOM 0 HZ1 LYS A 40 -14.768 10.907 -8.771 1.00 50.11 H new ATOM 0 HZ2 LYS A 40 -16.370 10.588 -9.234 1.00 50.11 H new ATOM 0 HZ3 LYS A 40 -15.485 9.419 -8.378 1.00 50.11 H new ATOM 577 N VAL A 41 -12.765 6.656 -14.011 1.00 41.44 N ATOM 578 CA VAL A 41 -11.435 6.340 -13.505 1.00 62.43 C ATOM 579 C VAL A 41 -10.461 7.484 -13.764 1.00 74.01 C ATOM 580 O VAL A 41 -10.610 8.234 -14.729 1.00 2.31 O ATOM 581 CB VAL A 41 -10.881 5.054 -14.148 1.00 52.00 C ATOM 582 CG1 VAL A 41 -9.598 4.620 -13.455 1.00 53.24 C ATOM 583 CG2 VAL A 41 -11.922 3.946 -14.103 1.00 70.52 C ATOM 0 H VAL A 41 -12.770 7.225 -14.858 1.00 41.44 H new ATOM 0 HA VAL A 41 -11.534 6.188 -12.430 1.00 62.43 H new ATOM 0 HB VAL A 41 -10.649 5.261 -15.193 1.00 52.00 H new ATOM 0 HG11 VAL A 41 -9.222 3.710 -13.923 1.00 53.24 H new ATOM 0 HG12 VAL A 41 -8.852 5.409 -13.544 1.00 53.24 H new ATOM 0 HG13 VAL A 41 -9.800 4.429 -12.401 1.00 53.24 H new ATOM 0 HG21 VAL A 41 -11.514 3.045 -14.561 1.00 70.52 H new ATOM 0 HG22 VAL A 41 -12.187 3.738 -13.066 1.00 70.52 H new ATOM 0 HG23 VAL A 41 -12.812 4.260 -14.649 1.00 70.52 H new ATOM 593 N LYS A 42 -9.464 7.612 -12.896 1.00 43.40 N ATOM 594 CA LYS A 42 -8.463 8.664 -13.030 1.00 41.31 C ATOM 595 C LYS A 42 -7.058 8.110 -12.814 1.00 34.24 C ATOM 596 O LYS A 42 -6.539 8.128 -11.698 1.00 21.21 O ATOM 597 CB LYS A 42 -8.738 9.789 -12.030 1.00 13.23 C ATOM 598 CG LYS A 42 -8.370 11.168 -12.549 1.00 12.42 C ATOM 599 CD LYS A 42 -6.878 11.286 -12.810 1.00 1.25 C ATOM 600 CE LYS A 42 -6.080 11.235 -11.515 1.00 73.25 C ATOM 601 NZ LYS A 42 -4.614 11.312 -11.764 1.00 71.43 N ATOM 0 H LYS A 42 -9.327 7.000 -12.091 1.00 43.40 H new ATOM 0 HA LYS A 42 -8.526 9.063 -14.043 1.00 41.31 H new ATOM 0 HB2 LYS A 42 -9.796 9.779 -11.767 1.00 13.23 H new ATOM 0 HB3 LYS A 42 -8.180 9.594 -11.114 1.00 13.23 H new ATOM 0 HG2 LYS A 42 -8.918 11.370 -13.469 1.00 12.42 H new ATOM 0 HG3 LYS A 42 -8.674 11.923 -11.825 1.00 12.42 H new ATOM 0 HD2 LYS A 42 -6.558 10.478 -13.468 1.00 1.25 H new ATOM 0 HD3 LYS A 42 -6.671 12.222 -13.330 1.00 1.25 H new ATOM 0 HE2 LYS A 42 -6.383 12.059 -10.869 1.00 73.25 H new ATOM 0 HE3 LYS A 42 -6.310 10.312 -10.983 1.00 73.25 H new ATOM 0 HZ1 LYS A 42 -4.105 11.274 -10.858 1.00 71.43 H new ATOM 0 HZ2 LYS A 42 -4.320 10.511 -12.359 1.00 71.43 H new ATOM 0 HZ3 LYS A 42 -4.391 12.204 -12.249 1.00 71.43 H new ATOM 615 N SER A 43 -6.449 7.619 -13.888 1.00 22.00 N ATOM 616 CA SER A 43 -5.105 7.057 -13.815 1.00 11.34 C ATOM 617 C SER A 43 -4.524 6.855 -15.211 1.00 2.33 C ATOM 618 O SER A 43 -4.810 5.861 -15.877 1.00 11.52 O ATOM 619 CB SER A 43 -5.126 5.726 -13.061 1.00 75.12 C ATOM 620 OG SER A 43 -6.177 4.895 -13.524 1.00 64.33 O ATOM 0 H SER A 43 -6.865 7.599 -14.819 1.00 22.00 H new ATOM 0 HA SER A 43 -4.472 7.762 -13.276 1.00 11.34 H new ATOM 0 HB2 SER A 43 -4.171 5.216 -13.190 1.00 75.12 H new ATOM 0 HB3 SER A 43 -5.247 5.911 -11.994 1.00 75.12 H new ATOM 0 HG SER A 43 -6.168 4.050 -13.028 1.00 64.33 H new ATOM 626 N GLY A 44 -3.704 7.807 -15.647 1.00 54.22 N ATOM 627 CA GLY A 44 -3.095 7.716 -16.961 1.00 52.43 C ATOM 628 C GLY A 44 -4.116 7.495 -18.060 1.00 12.24 C ATOM 629 O GLY A 44 -5.184 8.109 -18.059 1.00 44.42 O ATOM 0 H GLY A 44 -3.451 8.639 -15.114 1.00 54.22 H new ATOM 0 HA2 GLY A 44 -2.539 8.631 -17.165 1.00 52.43 H new ATOM 0 HA3 GLY A 44 -2.375 6.898 -16.968 1.00 52.43 H new ATOM 633 N THR A 45 -3.789 6.616 -19.002 1.00 22.04 N ATOM 634 CA THR A 45 -4.684 6.317 -20.113 1.00 4.35 C ATOM 635 C THR A 45 -5.033 4.834 -20.153 1.00 55.22 C ATOM 636 O THR A 45 -4.264 3.992 -19.690 1.00 1.51 O ATOM 637 CB THR A 45 -4.060 6.723 -21.461 1.00 43.12 C ATOM 638 OG1 THR A 45 -2.788 6.085 -21.624 1.00 51.34 O ATOM 639 CG2 THR A 45 -3.890 8.232 -21.547 1.00 14.53 C ATOM 0 H THR A 45 -2.910 6.098 -19.018 1.00 22.04 H new ATOM 0 HA THR A 45 -5.593 6.897 -19.953 1.00 4.35 H new ATOM 0 HB THR A 45 -4.732 6.403 -22.258 1.00 43.12 H new ATOM 0 HG1 THR A 45 -2.399 6.347 -22.484 1.00 51.34 H new ATOM 0 HG21 THR A 45 -3.447 8.494 -22.508 1.00 14.53 H new ATOM 0 HG22 THR A 45 -4.863 8.714 -21.452 1.00 14.53 H new ATOM 0 HG23 THR A 45 -3.237 8.571 -20.743 1.00 14.53 H new ATOM 647 N TRP A 46 -6.198 4.521 -20.710 1.00 44.14 N ATOM 648 CA TRP A 46 -6.649 3.138 -20.812 1.00 23.21 C ATOM 649 C TRP A 46 -7.235 2.856 -22.191 1.00 45.11 C ATOM 650 O TRP A 46 -7.618 3.777 -22.912 1.00 53.03 O ATOM 651 CB TRP A 46 -7.689 2.838 -19.731 1.00 50.44 C ATOM 652 CG TRP A 46 -7.744 3.880 -18.655 1.00 25.54 C ATOM 653 CD1 TRP A 46 -6.779 4.149 -17.726 1.00 12.40 C ATOM 654 CD2 TRP A 46 -8.819 4.788 -18.394 1.00 73.24 C ATOM 655 NE1 TRP A 46 -7.191 5.171 -16.904 1.00 63.21 N ATOM 656 CE2 TRP A 46 -8.438 5.580 -17.294 1.00 13.31 C ATOM 657 CE3 TRP A 46 -10.066 5.010 -18.985 1.00 10.20 C ATOM 658 CZ2 TRP A 46 -9.261 6.576 -16.774 1.00 20.02 C ATOM 659 CZ3 TRP A 46 -10.881 5.999 -18.467 1.00 74.54 C ATOM 660 CH2 TRP A 46 -10.476 6.772 -17.371 1.00 73.05 C ATOM 0 H TRP A 46 -6.847 5.206 -21.098 1.00 44.14 H new ATOM 0 HA TRP A 46 -5.786 2.489 -20.666 1.00 23.21 H new ATOM 0 HB2 TRP A 46 -8.671 2.753 -20.195 1.00 50.44 H new ATOM 0 HB3 TRP A 46 -7.465 1.871 -19.280 1.00 50.44 H new ATOM 0 HD1 TRP A 46 -5.832 3.635 -17.649 1.00 12.40 H new ATOM 0 HE1 TRP A 46 -6.655 5.561 -16.129 1.00 63.21 H new ATOM 0 HE3 TRP A 46 -10.387 4.420 -19.831 1.00 10.20 H new ATOM 0 HZ2 TRP A 46 -8.951 7.173 -15.929 1.00 20.02 H new ATOM 0 HZ3 TRP A 46 -11.847 6.179 -18.915 1.00 74.54 H new ATOM 0 HH2 TRP A 46 -11.136 7.537 -16.990 1.00 73.05 H new ATOM 671 N ARG A 47 -7.301 1.579 -22.552 1.00 23.45 N ATOM 672 CA ARG A 47 -7.839 1.177 -23.845 1.00 73.23 C ATOM 673 C ARG A 47 -9.113 0.355 -23.672 1.00 72.34 C ATOM 674 O ARG A 47 -9.151 -0.593 -22.888 1.00 31.14 O ATOM 675 CB ARG A 47 -6.800 0.369 -24.626 1.00 14.14 C ATOM 676 CG ARG A 47 -5.542 1.154 -24.957 1.00 2.33 C ATOM 677 CD ARG A 47 -4.384 0.757 -24.054 1.00 40.24 C ATOM 678 NE ARG A 47 -3.089 1.034 -24.671 1.00 55.41 N ATOM 679 CZ ARG A 47 -1.956 0.452 -24.295 1.00 35.20 C ATOM 680 NH1 ARG A 47 -1.959 -0.436 -23.310 1.00 3.30 N ATOM 681 NH2 ARG A 47 -0.818 0.756 -24.905 1.00 11.41 N ATOM 0 H ARG A 47 -6.988 0.805 -21.966 1.00 23.45 H new ATOM 0 HA ARG A 47 -8.083 2.080 -24.405 1.00 73.23 H new ATOM 0 HB2 ARG A 47 -6.526 -0.512 -24.046 1.00 14.14 H new ATOM 0 HB3 ARG A 47 -7.250 0.013 -25.553 1.00 14.14 H new ATOM 0 HG2 ARG A 47 -5.268 0.983 -25.998 1.00 2.33 H new ATOM 0 HG3 ARG A 47 -5.739 2.221 -24.850 1.00 2.33 H new ATOM 0 HD2 ARG A 47 -4.459 1.297 -23.110 1.00 40.24 H new ATOM 0 HD3 ARG A 47 -4.454 -0.305 -23.820 1.00 40.24 H new ATOM 0 HE ARG A 47 -3.053 1.712 -25.432 1.00 55.41 H new ATOM 0 HH11 ARG A 47 -2.833 -0.673 -22.840 1.00 3.30 H new ATOM 0 HH12 ARG A 47 -1.088 -0.882 -23.023 1.00 3.30 H new ATOM 0 HH21 ARG A 47 -0.812 1.438 -25.664 1.00 11.41 H new ATOM 0 HH22 ARG A 47 0.051 0.308 -24.615 1.00 11.41 H new ATOM 695 N PHE A 48 -10.155 0.725 -24.410 1.00 63.21 N ATOM 696 CA PHE A 48 -11.431 0.023 -24.337 1.00 41.04 C ATOM 697 C PHE A 48 -11.803 -0.570 -25.693 1.00 33.40 C ATOM 698 O PHE A 48 -11.669 0.084 -26.727 1.00 64.24 O ATOM 699 CB PHE A 48 -12.533 0.973 -23.864 1.00 31.23 C ATOM 700 CG PHE A 48 -12.667 1.038 -22.369 1.00 61.21 C ATOM 701 CD1 PHE A 48 -13.494 0.154 -21.695 1.00 72.33 C ATOM 702 CD2 PHE A 48 -11.965 1.982 -21.638 1.00 10.42 C ATOM 703 CE1 PHE A 48 -13.620 0.212 -20.320 1.00 64.02 C ATOM 704 CE2 PHE A 48 -12.086 2.045 -20.262 1.00 52.23 C ATOM 705 CZ PHE A 48 -12.914 1.158 -19.603 1.00 21.03 C ATOM 0 H PHE A 48 -10.141 1.507 -25.065 1.00 63.21 H new ATOM 0 HA PHE A 48 -11.329 -0.791 -23.619 1.00 41.04 H new ATOM 0 HB2 PHE A 48 -12.329 1.973 -24.246 1.00 31.23 H new ATOM 0 HB3 PHE A 48 -13.484 0.656 -24.293 1.00 31.23 H new ATOM 0 HD1 PHE A 48 -14.047 -0.589 -22.251 1.00 72.33 H new ATOM 0 HD2 PHE A 48 -11.315 2.677 -22.149 1.00 10.42 H new ATOM 0 HE1 PHE A 48 -14.270 -0.482 -19.807 1.00 64.02 H new ATOM 0 HE2 PHE A 48 -11.534 2.787 -19.704 1.00 52.23 H new ATOM 0 HZ PHE A 48 -13.009 1.204 -18.528 1.00 21.03 H new ATOM 715 N TYR A 49 -12.271 -1.813 -25.679 1.00 75.32 N ATOM 716 CA TYR A 49 -12.661 -2.497 -26.907 1.00 23.12 C ATOM 717 C TYR A 49 -13.587 -3.671 -26.606 1.00 72.31 C ATOM 718 O TYR A 49 -13.332 -4.459 -25.696 1.00 72.21 O ATOM 719 CB TYR A 49 -11.421 -2.990 -27.656 1.00 14.31 C ATOM 720 CG TYR A 49 -10.346 -3.545 -26.749 1.00 15.21 C ATOM 721 CD1 TYR A 49 -10.401 -4.858 -26.297 1.00 15.53 C ATOM 722 CD2 TYR A 49 -9.277 -2.757 -26.343 1.00 44.34 C ATOM 723 CE1 TYR A 49 -9.422 -5.369 -25.467 1.00 51.04 C ATOM 724 CE2 TYR A 49 -8.292 -3.260 -25.516 1.00 20.15 C ATOM 725 CZ TYR A 49 -8.369 -4.567 -25.080 1.00 52.50 C ATOM 726 OH TYR A 49 -7.391 -5.071 -24.254 1.00 72.31 O ATOM 0 H TYR A 49 -12.390 -2.368 -24.831 1.00 75.32 H new ATOM 0 HA TYR A 49 -13.198 -1.786 -27.535 1.00 23.12 H new ATOM 0 HB2 TYR A 49 -11.719 -3.761 -28.366 1.00 14.31 H new ATOM 0 HB3 TYR A 49 -11.006 -2.166 -28.236 1.00 14.31 H new ATOM 0 HD1 TYR A 49 -11.223 -5.490 -26.600 1.00 15.53 H new ATOM 0 HD2 TYR A 49 -9.215 -1.733 -26.680 1.00 44.34 H new ATOM 0 HE1 TYR A 49 -9.481 -6.391 -25.123 1.00 51.04 H new ATOM 0 HE2 TYR A 49 -7.466 -2.634 -25.212 1.00 20.15 H new ATOM 0 HH TYR A 49 -6.509 -4.880 -24.636 1.00 72.31 H new ATOM 736 N GLU A 50 -14.663 -3.781 -27.379 1.00 13.50 N ATOM 737 CA GLU A 50 -15.628 -4.858 -27.196 1.00 34.24 C ATOM 738 C GLU A 50 -15.330 -6.022 -28.137 1.00 54.51 C ATOM 739 O GLU A 50 -16.105 -6.310 -29.050 1.00 2.31 O ATOM 740 CB GLU A 50 -17.050 -4.346 -27.435 1.00 12.43 C ATOM 741 CG GLU A 50 -17.659 -3.654 -26.226 1.00 72.35 C ATOM 742 CD GLU A 50 -18.193 -2.273 -26.552 1.00 73.04 C ATOM 743 OE1 GLU A 50 -19.053 -2.166 -27.451 1.00 50.45 O ATOM 744 OE2 GLU A 50 -17.751 -1.299 -25.907 1.00 70.33 O ATOM 0 H GLU A 50 -14.888 -3.137 -28.138 1.00 13.50 H new ATOM 0 HA GLU A 50 -15.546 -5.213 -26.169 1.00 34.24 H new ATOM 0 HB2 GLU A 50 -17.041 -3.651 -28.275 1.00 12.43 H new ATOM 0 HB3 GLU A 50 -17.685 -5.184 -27.722 1.00 12.43 H new ATOM 0 HG2 GLU A 50 -18.468 -4.268 -25.830 1.00 72.35 H new ATOM 0 HG3 GLU A 50 -16.907 -3.573 -25.441 1.00 72.35 H new ATOM 751 N TYR A 51 -14.203 -6.686 -27.909 1.00 1.54 N ATOM 752 CA TYR A 51 -13.800 -7.815 -28.737 1.00 60.54 C ATOM 753 C TYR A 51 -12.464 -8.385 -28.270 1.00 42.43 C ATOM 754 O TYR A 51 -11.959 -8.020 -27.208 1.00 64.02 O ATOM 755 CB TYR A 51 -13.701 -7.390 -30.203 1.00 73.14 C ATOM 756 CG TYR A 51 -14.645 -8.140 -31.116 1.00 63.14 C ATOM 757 CD1 TYR A 51 -14.762 -9.522 -31.043 1.00 31.42 C ATOM 758 CD2 TYR A 51 -15.420 -7.466 -32.052 1.00 43.31 C ATOM 759 CE1 TYR A 51 -15.622 -10.212 -31.876 1.00 13.44 C ATOM 760 CE2 TYR A 51 -16.284 -8.147 -32.888 1.00 3.51 C ATOM 761 CZ TYR A 51 -16.381 -9.519 -32.796 1.00 70.32 C ATOM 762 OH TYR A 51 -17.240 -10.202 -33.627 1.00 31.05 O ATOM 0 H TYR A 51 -13.552 -6.461 -27.157 1.00 1.54 H new ATOM 0 HA TYR A 51 -14.559 -8.592 -28.641 1.00 60.54 H new ATOM 0 HB2 TYR A 51 -13.908 -6.322 -30.278 1.00 73.14 H new ATOM 0 HB3 TYR A 51 -12.678 -7.541 -30.548 1.00 73.14 H new ATOM 0 HD1 TYR A 51 -14.170 -10.067 -30.322 1.00 31.42 H new ATOM 0 HD2 TYR A 51 -15.346 -6.391 -32.127 1.00 43.31 H new ATOM 0 HE1 TYR A 51 -15.699 -11.287 -31.807 1.00 13.44 H new ATOM 0 HE2 TYR A 51 -16.880 -7.608 -33.609 1.00 3.51 H new ATOM 0 HH TYR A 51 -17.701 -9.567 -34.214 1.00 31.05 H new ATOM 772 N ILE A 52 -11.897 -9.280 -29.072 1.00 41.10 N ATOM 773 CA ILE A 52 -10.619 -9.899 -28.743 1.00 1.43 C ATOM 774 C ILE A 52 -9.523 -8.849 -28.593 1.00 65.41 C ATOM 775 O ILE A 52 -9.775 -7.652 -28.715 1.00 11.42 O ATOM 776 CB ILE A 52 -10.194 -10.919 -29.815 1.00 75.04 C ATOM 777 CG1 ILE A 52 -10.266 -10.288 -31.207 1.00 71.04 C ATOM 778 CG2 ILE A 52 -11.073 -12.159 -29.744 1.00 11.00 C ATOM 779 CD1 ILE A 52 -9.706 -11.171 -32.301 1.00 13.04 C ATOM 0 H ILE A 52 -12.302 -9.593 -29.954 1.00 41.10 H new ATOM 0 HA ILE A 52 -10.755 -10.418 -27.794 1.00 1.43 H new ATOM 0 HB ILE A 52 -9.163 -11.217 -29.624 1.00 75.04 H new ATOM 0 HG12 ILE A 52 -11.305 -10.053 -31.437 1.00 71.04 H new ATOM 0 HG13 ILE A 52 -9.720 -9.344 -31.198 1.00 71.04 H new ATOM 0 HG21 ILE A 52 -10.760 -12.871 -30.508 1.00 11.00 H new ATOM 0 HG22 ILE A 52 -10.977 -12.617 -28.760 1.00 11.00 H new ATOM 0 HG23 ILE A 52 -12.113 -11.878 -29.913 1.00 11.00 H new ATOM 0 HD11 ILE A 52 -9.790 -10.660 -33.260 1.00 13.04 H new ATOM 0 HD12 ILE A 52 -8.657 -11.385 -32.095 1.00 13.04 H new ATOM 0 HD13 ILE A 52 -10.267 -12.105 -32.338 1.00 13.04 H new ATOM 791 N ASN A 53 -8.303 -9.309 -28.330 1.00 14.30 N ATOM 792 CA ASN A 53 -7.167 -8.410 -28.165 1.00 40.31 C ATOM 793 C ASN A 53 -6.400 -8.256 -29.475 1.00 54.22 C ATOM 794 O ASN A 53 -5.188 -8.039 -29.476 1.00 15.24 O ATOM 795 CB ASN A 53 -6.232 -8.931 -27.072 1.00 62.32 C ATOM 796 CG ASN A 53 -5.615 -7.812 -26.256 1.00 52.30 C ATOM 797 OD1 ASN A 53 -5.661 -6.645 -26.648 1.00 22.45 O ATOM 798 ND2 ASN A 53 -5.034 -8.163 -25.115 1.00 12.43 N ATOM 0 H ASN A 53 -8.077 -10.298 -28.227 1.00 14.30 H new ATOM 0 HA ASN A 53 -7.549 -7.432 -27.871 1.00 40.31 H new ATOM 0 HB2 ASN A 53 -6.787 -9.596 -26.410 1.00 62.32 H new ATOM 0 HB3 ASN A 53 -5.439 -9.524 -27.528 1.00 62.32 H new ATOM 0 HD21 ASN A 53 -4.602 -7.453 -24.523 1.00 12.43 H new ATOM 0 HD22 ASN A 53 -5.020 -9.142 -24.830 1.00 12.43 H new ATOM 805 N TYR A 54 -7.115 -8.369 -30.589 1.00 72.20 N ATOM 806 CA TYR A 54 -6.503 -8.245 -31.906 1.00 44.43 C ATOM 807 C TYR A 54 -7.560 -8.289 -33.005 1.00 41.42 C ATOM 808 O TYR A 54 -7.364 -8.913 -34.047 1.00 24.12 O ATOM 809 CB TYR A 54 -5.479 -9.360 -32.123 1.00 62.23 C ATOM 810 CG TYR A 54 -6.089 -10.743 -32.161 1.00 21.11 C ATOM 811 CD1 TYR A 54 -6.586 -11.336 -31.007 1.00 1.05 C ATOM 812 CD2 TYR A 54 -6.168 -11.457 -33.350 1.00 23.30 C ATOM 813 CE1 TYR A 54 -7.144 -12.600 -31.036 1.00 4.42 C ATOM 814 CE2 TYR A 54 -6.725 -12.721 -33.389 1.00 11.41 C ATOM 815 CZ TYR A 54 -7.211 -13.288 -32.229 1.00 54.53 C ATOM 816 OH TYR A 54 -7.766 -14.546 -32.264 1.00 31.43 O ATOM 0 H TYR A 54 -8.119 -8.546 -30.606 1.00 72.20 H new ATOM 0 HA TYR A 54 -5.996 -7.281 -31.953 1.00 44.43 H new ATOM 0 HB2 TYR A 54 -4.950 -9.179 -33.059 1.00 62.23 H new ATOM 0 HB3 TYR A 54 -4.737 -9.321 -31.325 1.00 62.23 H new ATOM 0 HD1 TYR A 54 -6.535 -10.800 -30.071 1.00 1.05 H new ATOM 0 HD2 TYR A 54 -5.787 -11.017 -34.260 1.00 23.30 H new ATOM 0 HE1 TYR A 54 -7.525 -13.046 -30.129 1.00 4.42 H new ATOM 0 HE2 TYR A 54 -6.780 -13.262 -34.322 1.00 11.41 H new ATOM 0 HH TYR A 54 -7.737 -14.891 -33.181 1.00 31.43 H new ATOM 826 N GLY A 55 -8.683 -7.619 -32.764 1.00 71.10 N ATOM 827 CA GLY A 55 -9.756 -7.593 -33.741 1.00 63.13 C ATOM 828 C GLY A 55 -11.051 -7.057 -33.166 1.00 14.41 C ATOM 829 O GLY A 55 -12.038 -7.783 -33.057 1.00 31.34 O ATOM 0 H GLY A 55 -8.869 -7.094 -31.910 1.00 71.10 H new ATOM 0 HA2 GLY A 55 -9.456 -6.977 -34.589 1.00 63.13 H new ATOM 0 HA3 GLY A 55 -9.921 -8.601 -34.122 1.00 63.13 H new ATOM 833 N GLY A 56 -11.049 -5.780 -32.795 1.00 42.31 N ATOM 834 CA GLY A 56 -12.238 -5.169 -32.230 1.00 40.25 C ATOM 835 C GLY A 56 -12.209 -3.656 -32.317 1.00 55.23 C ATOM 836 O GLY A 56 -11.298 -3.078 -32.910 1.00 61.50 O ATOM 0 H GLY A 56 -10.245 -5.158 -32.876 1.00 42.31 H new ATOM 0 HA2 GLY A 56 -13.118 -5.543 -32.753 1.00 40.25 H new ATOM 0 HA3 GLY A 56 -12.336 -5.468 -31.186 1.00 40.25 H new ATOM 840 N ARG A 57 -13.211 -3.012 -31.727 1.00 3.25 N ATOM 841 CA ARG A 57 -13.298 -1.557 -31.742 1.00 52.44 C ATOM 842 C ARG A 57 -12.371 -0.945 -30.697 1.00 5.23 C ATOM 843 O ARG A 57 -12.666 -0.967 -29.502 1.00 5.45 O ATOM 844 CB ARG A 57 -14.738 -1.108 -31.487 1.00 33.21 C ATOM 845 CG ARG A 57 -14.873 0.381 -31.216 1.00 14.32 C ATOM 846 CD ARG A 57 -15.315 0.649 -29.786 1.00 11.44 C ATOM 847 NE ARG A 57 -16.557 -0.046 -29.457 1.00 4.12 N ATOM 848 CZ ARG A 57 -17.743 0.297 -29.946 1.00 41.21 C ATOM 849 NH1 ARG A 57 -17.848 1.321 -30.782 1.00 60.12 N ATOM 850 NH2 ARG A 57 -18.827 -0.385 -29.600 1.00 13.54 N ATOM 0 H ARG A 57 -13.974 -3.475 -31.233 1.00 3.25 H new ATOM 0 HA ARG A 57 -12.985 -1.210 -32.727 1.00 52.44 H new ATOM 0 HB2 ARG A 57 -15.349 -1.368 -32.351 1.00 33.21 H new ATOM 0 HB3 ARG A 57 -15.137 -1.661 -30.637 1.00 33.21 H new ATOM 0 HG2 ARG A 57 -13.919 0.874 -31.401 1.00 14.32 H new ATOM 0 HG3 ARG A 57 -15.595 0.814 -31.908 1.00 14.32 H new ATOM 0 HD2 ARG A 57 -14.530 0.333 -29.099 1.00 11.44 H new ATOM 0 HD3 ARG A 57 -15.451 1.721 -29.644 1.00 11.44 H new ATOM 0 HE ARG A 57 -16.511 -0.838 -28.816 1.00 4.12 H new ATOM 0 HH11 ARG A 57 -17.017 1.847 -31.051 1.00 60.12 H new ATOM 0 HH12 ARG A 57 -18.760 1.582 -31.156 1.00 60.12 H new ATOM 0 HH21 ARG A 57 -18.750 -1.174 -28.958 1.00 13.54 H new ATOM 0 HH22 ARG A 57 -19.738 -0.121 -29.976 1.00 13.54 H new ATOM 864 N TYR A 58 -11.249 -0.400 -31.155 1.00 21.32 N ATOM 865 CA TYR A 58 -10.276 0.215 -30.259 1.00 75.22 C ATOM 866 C TYR A 58 -10.701 1.631 -29.884 1.00 51.32 C ATOM 867 O TYR A 58 -11.007 2.449 -30.752 1.00 13.45 O ATOM 868 CB TYR A 58 -8.894 0.241 -30.914 1.00 13.22 C ATOM 869 CG TYR A 58 -7.901 1.126 -30.195 1.00 63.20 C ATOM 870 CD1 TYR A 58 -7.801 1.109 -28.809 1.00 62.04 C ATOM 871 CD2 TYR A 58 -7.061 1.978 -30.902 1.00 71.21 C ATOM 872 CE1 TYR A 58 -6.895 1.916 -28.149 1.00 10.12 C ATOM 873 CE2 TYR A 58 -6.151 2.787 -30.250 1.00 13.42 C ATOM 874 CZ TYR A 58 -6.072 2.753 -28.873 1.00 54.32 C ATOM 875 OH TYR A 58 -5.168 3.558 -28.219 1.00 22.21 O ATOM 0 H TYR A 58 -10.991 -0.372 -32.141 1.00 21.32 H new ATOM 0 HA TYR A 58 -10.228 -0.383 -29.349 1.00 75.22 H new ATOM 0 HB2 TYR A 58 -8.501 -0.775 -30.954 1.00 13.22 H new ATOM 0 HB3 TYR A 58 -8.995 0.584 -31.944 1.00 13.22 H new ATOM 0 HD1 TYR A 58 -8.442 0.454 -28.238 1.00 62.04 H new ATOM 0 HD2 TYR A 58 -7.121 2.008 -31.980 1.00 71.21 H new ATOM 0 HE1 TYR A 58 -6.831 1.892 -27.071 1.00 10.12 H new ATOM 0 HE2 TYR A 58 -5.505 3.443 -30.815 1.00 13.42 H new ATOM 0 HH TYR A 58 -4.665 4.085 -28.875 1.00 22.21 H new ATOM 885 N TRP A 59 -10.716 1.913 -28.586 1.00 71.05 N ATOM 886 CA TRP A 59 -11.102 3.231 -28.095 1.00 33.20 C ATOM 887 C TRP A 59 -10.470 3.512 -26.736 1.00 62.05 C ATOM 888 O TRP A 59 -10.920 2.997 -25.713 1.00 74.21 O ATOM 889 CB TRP A 59 -12.625 3.334 -27.994 1.00 30.24 C ATOM 890 CG TRP A 59 -13.086 4.355 -26.999 1.00 13.35 C ATOM 891 CD1 TRP A 59 -12.799 5.690 -27.001 1.00 44.32 C ATOM 892 CD2 TRP A 59 -13.915 4.124 -25.854 1.00 74.25 C ATOM 893 NE1 TRP A 59 -13.399 6.303 -25.928 1.00 21.34 N ATOM 894 CE2 TRP A 59 -14.091 5.364 -25.209 1.00 64.32 C ATOM 895 CE3 TRP A 59 -14.529 2.991 -25.313 1.00 65.45 C ATOM 896 CZ2 TRP A 59 -14.852 5.499 -24.051 1.00 63.13 C ATOM 897 CZ3 TRP A 59 -15.283 3.126 -24.164 1.00 14.40 C ATOM 898 CH2 TRP A 59 -15.440 4.373 -23.543 1.00 75.24 C ATOM 0 H TRP A 59 -10.466 1.247 -27.855 1.00 71.05 H new ATOM 0 HA TRP A 59 -10.741 3.976 -28.804 1.00 33.20 H new ATOM 0 HB2 TRP A 59 -13.031 3.583 -28.974 1.00 30.24 H new ATOM 0 HB3 TRP A 59 -13.031 2.360 -27.719 1.00 30.24 H new ATOM 0 HD1 TRP A 59 -12.189 6.191 -27.738 1.00 44.32 H new ATOM 0 HE1 TRP A 59 -13.339 7.296 -25.703 1.00 21.34 H new ATOM 0 HE3 TRP A 59 -14.416 2.026 -25.785 1.00 65.45 H new ATOM 0 HZ2 TRP A 59 -14.974 6.459 -23.571 1.00 63.13 H new ATOM 0 HZ3 TRP A 59 -15.760 2.256 -23.737 1.00 14.40 H new ATOM 0 HH2 TRP A 59 -16.037 4.446 -22.646 1.00 75.24 H new ATOM 909 N ASP A 60 -9.424 4.332 -26.734 1.00 34.42 N ATOM 910 CA ASP A 60 -8.731 4.682 -25.500 1.00 1.22 C ATOM 911 C ASP A 60 -9.073 6.105 -25.070 1.00 1.33 C ATOM 912 O ASP A 60 -9.509 6.923 -25.881 1.00 72.33 O ATOM 913 CB ASP A 60 -7.219 4.541 -25.682 1.00 22.44 C ATOM 914 CG ASP A 60 -6.683 5.427 -26.789 1.00 74.42 C ATOM 915 OD1 ASP A 60 -7.143 5.280 -27.941 1.00 55.52 O ATOM 916 OD2 ASP A 60 -5.805 6.267 -26.504 1.00 21.21 O ATOM 0 H ASP A 60 -9.038 4.766 -27.573 1.00 34.42 H new ATOM 0 HA ASP A 60 -9.061 3.996 -24.720 1.00 1.22 H new ATOM 0 HB2 ASP A 60 -6.719 4.791 -24.746 1.00 22.44 H new ATOM 0 HB3 ASP A 60 -6.978 3.501 -25.904 1.00 22.44 H new ATOM 921 N LEU A 61 -8.873 6.395 -23.789 1.00 34.44 N ATOM 922 CA LEU A 61 -9.162 7.719 -23.249 1.00 44.25 C ATOM 923 C LEU A 61 -8.419 7.946 -21.937 1.00 1.14 C ATOM 924 O LEU A 61 -7.994 6.997 -21.280 1.00 30.42 O ATOM 925 CB LEU A 61 -10.667 7.887 -23.033 1.00 25.11 C ATOM 926 CG LEU A 61 -11.235 7.259 -21.760 1.00 15.52 C ATOM 927 CD1 LEU A 61 -11.814 8.331 -20.849 1.00 50.21 C ATOM 928 CD2 LEU A 61 -12.293 6.221 -22.104 1.00 15.22 C ATOM 0 H LEU A 61 -8.512 5.731 -23.105 1.00 34.44 H new ATOM 0 HA LEU A 61 -8.821 8.461 -23.971 1.00 44.25 H new ATOM 0 HB2 LEU A 61 -10.896 8.953 -23.022 1.00 25.11 H new ATOM 0 HB3 LEU A 61 -11.187 7.458 -23.889 1.00 25.11 H new ATOM 0 HG LEU A 61 -10.424 6.760 -21.230 1.00 15.52 H new ATOM 0 HD11 LEU A 61 -12.214 7.866 -19.948 1.00 50.21 H new ATOM 0 HD12 LEU A 61 -11.031 9.038 -20.575 1.00 50.21 H new ATOM 0 HD13 LEU A 61 -12.613 8.858 -21.370 1.00 50.21 H new ATOM 0 HD21 LEU A 61 -12.686 5.784 -21.186 1.00 15.22 H new ATOM 0 HD22 LEU A 61 -13.104 6.697 -22.656 1.00 15.22 H new ATOM 0 HD23 LEU A 61 -11.848 5.437 -22.717 1.00 15.22 H new ATOM 940 N GLY A 62 -8.268 9.212 -21.559 1.00 11.10 N ATOM 941 CA GLY A 62 -7.579 9.541 -20.325 1.00 64.01 C ATOM 942 C GLY A 62 -8.515 9.594 -19.134 1.00 41.32 C ATOM 943 O GLY A 62 -9.612 9.036 -19.155 1.00 12.24 O ATOM 0 H GLY A 62 -8.611 10.016 -22.086 1.00 11.10 H new ATOM 0 HA2 GLY A 62 -6.801 8.801 -20.139 1.00 64.01 H new ATOM 0 HA3 GLY A 62 -7.082 10.505 -20.436 1.00 64.01 H new ATOM 947 N PRO A 63 -8.081 10.278 -18.065 1.00 44.11 N ATOM 948 CA PRO A 63 -8.872 10.417 -16.839 1.00 53.33 C ATOM 949 C PRO A 63 -10.172 11.180 -17.072 1.00 71.23 C ATOM 950 O PRO A 63 -10.174 12.405 -17.180 1.00 45.32 O ATOM 951 CB PRO A 63 -7.949 11.207 -15.908 1.00 63.23 C ATOM 952 CG PRO A 63 -6.987 11.889 -16.818 1.00 40.54 C ATOM 953 CD PRO A 63 -6.783 10.968 -17.971 1.00 13.41 C ATOM 0 HA PRO A 63 -9.177 9.450 -16.439 1.00 53.33 H new ATOM 0 HB2 PRO A 63 -8.510 11.928 -15.313 1.00 63.23 H new ATOM 0 HB3 PRO A 63 -7.434 10.548 -15.209 1.00 63.23 H new ATOM 0 HG2 PRO A 63 -7.380 12.849 -17.151 1.00 40.54 H new ATOM 0 HG3 PRO A 63 -6.045 12.090 -16.309 1.00 40.54 H new ATOM 0 HD2 PRO A 63 -6.545 11.511 -18.886 1.00 13.41 H new ATOM 0 HD3 PRO A 63 -5.965 10.270 -17.792 1.00 13.41 H new ATOM 961 N GLY A 64 -11.278 10.446 -17.149 1.00 32.35 N ATOM 962 CA GLY A 64 -12.570 11.071 -17.368 1.00 25.41 C ATOM 963 C GLY A 64 -13.724 10.125 -17.103 1.00 21.43 C ATOM 964 O GLY A 64 -13.546 8.907 -17.088 1.00 44.21 O ATOM 0 H GLY A 64 -11.303 9.430 -17.064 1.00 32.35 H new ATOM 0 HA2 GLY A 64 -12.663 11.943 -16.720 1.00 25.41 H new ATOM 0 HA3 GLY A 64 -12.627 11.430 -18.396 1.00 25.41 H new ATOM 968 N GLU A 65 -14.910 10.686 -16.891 1.00 33.20 N ATOM 969 CA GLU A 65 -16.097 9.883 -16.622 1.00 74.33 C ATOM 970 C GLU A 65 -16.943 9.723 -17.883 1.00 10.35 C ATOM 971 O GLU A 65 -17.528 10.687 -18.376 1.00 55.35 O ATOM 972 CB GLU A 65 -16.933 10.523 -15.512 1.00 1.01 C ATOM 973 CG GLU A 65 -18.182 9.733 -15.157 1.00 44.23 C ATOM 974 CD GLU A 65 -19.448 10.559 -15.278 1.00 21.31 C ATOM 975 OE1 GLU A 65 -19.554 11.588 -14.579 1.00 55.14 O ATOM 976 OE2 GLU A 65 -20.332 10.175 -16.072 1.00 33.43 O ATOM 0 H GLU A 65 -15.074 11.693 -16.900 1.00 33.20 H new ATOM 0 HA GLU A 65 -15.770 8.896 -16.297 1.00 74.33 H new ATOM 0 HB2 GLU A 65 -16.316 10.630 -14.620 1.00 1.01 H new ATOM 0 HB3 GLU A 65 -17.224 11.527 -15.821 1.00 1.01 H new ATOM 0 HG2 GLU A 65 -18.256 8.864 -15.811 1.00 44.23 H new ATOM 0 HG3 GLU A 65 -18.093 9.358 -14.137 1.00 44.23 H new ATOM 983 N TYR A 66 -17.001 8.500 -18.398 1.00 14.34 N ATOM 984 CA TYR A 66 -17.772 8.214 -19.602 1.00 13.13 C ATOM 985 C TYR A 66 -19.156 7.678 -19.248 1.00 13.50 C ATOM 986 O TYR A 66 -19.301 6.837 -18.361 1.00 2.41 O ATOM 987 CB TYR A 66 -17.031 7.204 -20.479 1.00 31.20 C ATOM 988 CG TYR A 66 -17.933 6.453 -21.433 1.00 11.34 C ATOM 989 CD1 TYR A 66 -18.258 6.984 -22.675 1.00 63.32 C ATOM 990 CD2 TYR A 66 -18.462 5.215 -21.091 1.00 24.31 C ATOM 991 CE1 TYR A 66 -19.082 6.302 -23.550 1.00 0.14 C ATOM 992 CE2 TYR A 66 -19.285 4.525 -21.959 1.00 54.34 C ATOM 993 CZ TYR A 66 -19.593 5.073 -23.187 1.00 41.23 C ATOM 994 OH TYR A 66 -20.414 4.390 -24.055 1.00 13.32 O ATOM 0 H TYR A 66 -16.523 7.691 -18.001 1.00 14.34 H new ATOM 0 HA TYR A 66 -17.893 9.145 -20.155 1.00 13.13 H new ATOM 0 HB2 TYR A 66 -16.265 7.726 -21.052 1.00 31.20 H new ATOM 0 HB3 TYR A 66 -16.517 6.488 -19.838 1.00 31.20 H new ATOM 0 HD1 TYR A 66 -17.860 7.946 -22.962 1.00 63.32 H new ATOM 0 HD2 TYR A 66 -18.225 4.784 -20.129 1.00 24.31 H new ATOM 0 HE1 TYR A 66 -19.324 6.729 -24.512 1.00 0.14 H new ATOM 0 HE2 TYR A 66 -19.685 3.562 -21.678 1.00 54.34 H new ATOM 0 HH TYR A 66 -20.687 3.541 -23.648 1.00 13.32 H new ATOM 1004 N SER A 67 -20.172 8.172 -19.949 1.00 43.15 N ATOM 1005 CA SER A 67 -21.546 7.747 -19.709 1.00 25.33 C ATOM 1006 C SER A 67 -22.432 8.069 -20.908 1.00 60.50 C ATOM 1007 O SER A 67 -23.463 8.727 -20.773 1.00 1.51 O ATOM 1008 CB SER A 67 -22.099 8.425 -18.454 1.00 74.22 C ATOM 1009 OG SER A 67 -23.471 8.117 -18.272 1.00 3.55 O ATOM 0 H SER A 67 -20.069 8.867 -20.688 1.00 43.15 H new ATOM 0 HA SER A 67 -21.546 6.667 -19.560 1.00 25.33 H new ATOM 0 HB2 SER A 67 -21.531 8.101 -17.582 1.00 74.22 H new ATOM 0 HB3 SER A 67 -21.973 9.505 -18.534 1.00 74.22 H new ATOM 0 HG SER A 67 -23.986 8.455 -19.034 1.00 3.55 H new ATOM 1015 N SER A 68 -22.022 7.598 -22.082 1.00 13.41 N ATOM 1016 CA SER A 68 -22.776 7.839 -23.307 1.00 31.42 C ATOM 1017 C SER A 68 -23.874 6.794 -23.483 1.00 22.31 C ATOM 1018 O SER A 68 -23.969 5.840 -22.710 1.00 63.14 O ATOM 1019 CB SER A 68 -21.841 7.822 -24.518 1.00 31.34 C ATOM 1020 OG SER A 68 -20.821 8.797 -24.388 1.00 53.12 O ATOM 0 H SER A 68 -21.173 7.048 -22.210 1.00 13.41 H new ATOM 0 HA SER A 68 -23.242 8.821 -23.231 1.00 31.42 H new ATOM 0 HB2 SER A 68 -21.393 6.834 -24.622 1.00 31.34 H new ATOM 0 HB3 SER A 68 -22.414 8.009 -25.426 1.00 31.34 H new ATOM 0 HG SER A 68 -19.999 8.370 -24.068 1.00 53.12 H new ATOM 1026 N VAL A 69 -24.702 6.981 -24.506 1.00 1.13 N ATOM 1027 CA VAL A 69 -25.793 6.055 -24.786 1.00 0.45 C ATOM 1028 C VAL A 69 -26.246 6.162 -26.237 1.00 42.53 C ATOM 1029 O VAL A 69 -27.371 5.797 -26.575 1.00 13.23 O ATOM 1030 CB VAL A 69 -26.999 6.314 -23.863 1.00 22.33 C ATOM 1031 CG1 VAL A 69 -27.731 7.579 -24.282 1.00 51.13 C ATOM 1032 CG2 VAL A 69 -27.939 5.118 -23.867 1.00 64.54 C ATOM 0 H VAL A 69 -24.638 7.766 -25.155 1.00 1.13 H new ATOM 0 HA VAL A 69 -25.411 5.051 -24.601 1.00 0.45 H new ATOM 0 HB VAL A 69 -26.632 6.456 -22.846 1.00 22.33 H new ATOM 0 HG11 VAL A 69 -28.580 7.745 -23.618 1.00 51.13 H new ATOM 0 HG12 VAL A 69 -27.052 8.429 -24.222 1.00 51.13 H new ATOM 0 HG13 VAL A 69 -28.087 7.471 -25.306 1.00 51.13 H new ATOM 0 HG21 VAL A 69 -28.785 5.318 -23.210 1.00 64.54 H new ATOM 0 HG22 VAL A 69 -28.300 4.942 -24.880 1.00 64.54 H new ATOM 0 HG23 VAL A 69 -27.406 4.235 -23.514 1.00 64.54 H new ATOM 1042 N GLU A 70 -25.361 6.666 -27.092 1.00 63.51 N ATOM 1043 CA GLU A 70 -25.671 6.821 -28.509 1.00 25.25 C ATOM 1044 C GLU A 70 -24.481 7.406 -29.265 1.00 13.24 C ATOM 1045 O GLU A 70 -24.651 8.141 -30.237 1.00 54.14 O ATOM 1046 CB GLU A 70 -26.896 7.719 -28.690 1.00 32.42 C ATOM 1047 CG GLU A 70 -26.834 9.004 -27.883 1.00 4.34 C ATOM 1048 CD GLU A 70 -27.747 10.083 -28.432 1.00 44.20 C ATOM 1049 OE1 GLU A 70 -27.352 10.755 -29.408 1.00 20.02 O ATOM 1050 OE2 GLU A 70 -28.857 10.255 -27.886 1.00 5.13 O ATOM 0 H GLU A 70 -24.425 6.974 -26.829 1.00 63.51 H new ATOM 0 HA GLU A 70 -25.889 5.834 -28.918 1.00 25.25 H new ATOM 0 HB2 GLU A 70 -27.000 7.968 -29.746 1.00 32.42 H new ATOM 0 HB3 GLU A 70 -27.789 7.163 -28.404 1.00 32.42 H new ATOM 0 HG2 GLU A 70 -27.108 8.793 -26.849 1.00 4.34 H new ATOM 0 HG3 GLU A 70 -25.808 9.372 -27.872 1.00 4.34 H new ATOM 1057 N SER A 71 -23.277 7.075 -28.809 1.00 51.34 N ATOM 1058 CA SER A 71 -22.059 7.571 -29.439 1.00 40.12 C ATOM 1059 C SER A 71 -20.875 6.663 -29.122 1.00 21.30 C ATOM 1060 O SER A 71 -19.719 7.076 -29.214 1.00 15.01 O ATOM 1061 CB SER A 71 -21.762 8.997 -28.972 1.00 0.24 C ATOM 1062 OG SER A 71 -20.591 9.503 -29.589 1.00 53.04 O ATOM 0 H SER A 71 -23.119 6.466 -28.006 1.00 51.34 H new ATOM 0 HA SER A 71 -22.213 7.575 -30.518 1.00 40.12 H new ATOM 0 HB2 SER A 71 -22.608 9.643 -29.206 1.00 0.24 H new ATOM 0 HB3 SER A 71 -21.641 9.010 -27.889 1.00 0.24 H new ATOM 0 HG SER A 71 -19.881 8.829 -29.544 1.00 53.04 H new ATOM 1068 N ALA A 72 -21.172 5.423 -28.748 1.00 32.40 N ATOM 1069 CA ALA A 72 -20.134 4.454 -28.419 1.00 3.32 C ATOM 1070 C ALA A 72 -20.463 3.080 -28.992 1.00 21.01 C ATOM 1071 O ALA A 72 -19.947 2.064 -28.529 1.00 32.34 O ATOM 1072 CB ALA A 72 -19.950 4.369 -26.911 1.00 11.32 C ATOM 0 H ALA A 72 -22.124 5.066 -28.665 1.00 32.40 H new ATOM 0 HA ALA A 72 -19.201 4.792 -28.869 1.00 3.32 H new ATOM 0 HB1 ALA A 72 -19.172 3.642 -26.680 1.00 11.32 H new ATOM 0 HB2 ALA A 72 -19.660 5.346 -26.524 1.00 11.32 H new ATOM 0 HB3 ALA A 72 -20.886 4.058 -26.447 1.00 11.32 H new ATOM 1078 N GLY A 73 -21.326 3.057 -30.003 1.00 34.42 N ATOM 1079 CA GLY A 73 -21.710 1.801 -30.622 1.00 11.33 C ATOM 1080 C GLY A 73 -22.443 0.883 -29.664 1.00 71.10 C ATOM 1081 O GLY A 73 -21.861 0.393 -28.695 1.00 52.44 O ATOM 0 H GLY A 73 -21.766 3.885 -30.405 1.00 34.42 H new ATOM 0 HA2 GLY A 73 -22.345 2.004 -31.484 1.00 11.33 H new ATOM 0 HA3 GLY A 73 -20.819 1.296 -30.995 1.00 11.33 H new ATOM 1085 N ILE A 74 -23.723 0.650 -29.933 1.00 72.13 N ATOM 1086 CA ILE A 74 -24.536 -0.215 -29.087 1.00 60.24 C ATOM 1087 C ILE A 74 -25.033 -1.432 -29.861 1.00 44.44 C ATOM 1088 O ILE A 74 -26.229 -1.605 -30.094 1.00 12.44 O ATOM 1089 CB ILE A 74 -25.747 0.540 -28.508 1.00 42.13 C ATOM 1090 CG1 ILE A 74 -25.292 1.834 -27.830 1.00 63.01 C ATOM 1091 CG2 ILE A 74 -26.501 -0.343 -27.525 1.00 50.43 C ATOM 1092 CD1 ILE A 74 -26.423 2.619 -27.204 1.00 74.44 C ATOM 0 H ILE A 74 -24.220 1.048 -30.730 1.00 72.13 H new ATOM 0 HA ILE A 74 -23.897 -0.544 -28.267 1.00 60.24 H new ATOM 0 HB ILE A 74 -26.421 0.798 -29.325 1.00 42.13 H new ATOM 0 HG12 ILE A 74 -24.559 1.593 -27.060 1.00 63.01 H new ATOM 0 HG13 ILE A 74 -24.788 2.462 -28.565 1.00 63.01 H new ATOM 0 HG21 ILE A 74 -27.354 0.205 -27.124 1.00 50.43 H new ATOM 0 HG22 ILE A 74 -26.853 -1.239 -28.036 1.00 50.43 H new ATOM 0 HG23 ILE A 74 -25.837 -0.628 -26.709 1.00 50.43 H new ATOM 0 HD11 ILE A 74 -26.026 3.523 -26.742 1.00 74.44 H new ATOM 0 HD12 ILE A 74 -27.146 2.891 -27.973 1.00 74.44 H new ATOM 0 HD13 ILE A 74 -26.913 2.009 -26.445 1.00 74.44 H new ATOM 1104 N PRO A 75 -24.093 -2.297 -30.270 1.00 22.24 N ATOM 1105 CA PRO A 75 -24.411 -3.515 -31.022 1.00 10.43 C ATOM 1106 C PRO A 75 -24.654 -4.713 -30.110 1.00 4.52 C ATOM 1107 O PRO A 75 -25.743 -5.287 -30.100 1.00 4.41 O ATOM 1108 CB PRO A 75 -23.162 -3.739 -31.878 1.00 55.13 C ATOM 1109 CG PRO A 75 -22.408 -2.458 -31.790 1.00 44.44 C ATOM 1110 CD PRO A 75 -22.647 -2.154 -30.028 1.00 73.40 C ATOM 0 HA PRO A 75 -25.328 -3.409 -31.601 1.00 10.43 H new ATOM 0 HB2 PRO A 75 -22.570 -4.574 -31.503 1.00 55.13 H new ATOM 0 HB3 PRO A 75 -23.426 -3.973 -32.909 1.00 55.13 H new ATOM 0 HG2 PRO A 75 -21.359 -2.561 -32.066 1.00 44.44 H new ATOM 0 HG3 PRO A 75 -22.827 -1.673 -32.419 1.00 44.44 H new ATOM 0 HD2 PRO A 75 -22.208 -2.895 -29.360 1.00 73.40 H new ATOM 0 HD3 PRO A 75 -22.325 -1.175 -29.673 1.00 73.40 H new ATOM 1118 N ASP A 76 -23.633 -5.084 -29.345 1.00 60.21 N ATOM 1119 CA ASP A 76 -23.736 -6.213 -28.428 1.00 71.41 C ATOM 1120 C ASP A 76 -22.435 -6.406 -27.654 1.00 55.44 C ATOM 1121 O ASP A 76 -21.376 -6.613 -28.244 1.00 70.11 O ATOM 1122 CB ASP A 76 -24.081 -7.491 -29.195 1.00 53.21 C ATOM 1123 CG ASP A 76 -25.159 -8.306 -28.507 1.00 25.00 C ATOM 1124 OD1 ASP A 76 -26.354 -8.031 -28.743 1.00 43.55 O ATOM 1125 OD2 ASP A 76 -24.807 -9.220 -27.733 1.00 25.13 O ATOM 0 H ASP A 76 -22.725 -4.619 -29.342 1.00 60.21 H new ATOM 0 HA ASP A 76 -24.533 -5.999 -27.716 1.00 71.41 H new ATOM 0 HB2 ASP A 76 -24.413 -7.230 -30.200 1.00 53.21 H new ATOM 0 HB3 ASP A 76 -23.183 -8.100 -29.304 1.00 53.21 H new ATOM 1130 N ASN A 77 -22.524 -6.334 -26.330 1.00 75.02 N ATOM 1131 CA ASN A 77 -21.354 -6.499 -25.476 1.00 13.55 C ATOM 1132 C ASN A 77 -20.933 -7.963 -25.406 1.00 63.14 C ATOM 1133 O ASN A 77 -21.674 -8.810 -24.909 1.00 33.40 O ATOM 1134 CB ASN A 77 -21.647 -5.973 -24.068 1.00 63.45 C ATOM 1135 CG ASN A 77 -20.391 -5.524 -23.346 1.00 60.44 C ATOM 1136 OD1 ASN A 77 -19.483 -6.462 -23.101 1.00 4.23 O flip ATOM 1137 ND2 ASN A 77 -20.240 -4.349 -23.014 1.00 3.41 N flip ATOM 0 H ASN A 77 -23.394 -6.163 -25.826 1.00 75.02 H new ATOM 0 HA ASN A 77 -20.535 -5.925 -25.909 1.00 13.55 H new ATOM 0 HB2 ASN A 77 -22.344 -5.137 -24.133 1.00 63.45 H new ATOM 0 HB3 ASN A 77 -22.138 -6.753 -23.486 1.00 63.45 H new ATOM 0 HD21 ASN A 77 -20.965 -3.663 -23.223 1.00 3.41 H new ATOM 0 HD22 ASN A 77 -19.390 -4.061 -22.529 1.00 3.41 H new ATOM 1144 N SER A 78 -19.737 -8.253 -25.908 1.00 63.35 N ATOM 1145 CA SER A 78 -19.217 -9.616 -25.907 1.00 10.22 C ATOM 1146 C SER A 78 -17.696 -9.617 -26.027 1.00 71.33 C ATOM 1147 O SER A 78 -17.126 -8.881 -26.833 1.00 61.31 O ATOM 1148 CB SER A 78 -19.832 -10.420 -27.054 1.00 44.01 C ATOM 1149 OG SER A 78 -20.087 -11.757 -26.660 1.00 61.12 O ATOM 0 H SER A 78 -19.110 -7.563 -26.321 1.00 63.35 H new ATOM 0 HA SER A 78 -19.489 -10.082 -24.960 1.00 10.22 H new ATOM 0 HB2 SER A 78 -20.761 -9.949 -27.375 1.00 44.01 H new ATOM 0 HB3 SER A 78 -19.158 -10.412 -27.910 1.00 44.01 H new ATOM 0 HG SER A 78 -20.481 -12.249 -27.410 1.00 61.12 H new ATOM 1155 N ILE A 79 -17.046 -10.449 -25.220 1.00 60.15 N ATOM 1156 CA ILE A 79 -15.592 -10.548 -25.237 1.00 2.32 C ATOM 1157 C ILE A 79 -14.946 -9.170 -25.132 1.00 71.23 C ATOM 1158 O ILE A 79 -13.924 -8.903 -25.764 1.00 2.03 O ATOM 1159 CB ILE A 79 -15.089 -11.242 -26.516 1.00 60.22 C ATOM 1160 CG1 ILE A 79 -15.992 -12.426 -26.868 1.00 62.33 C ATOM 1161 CG2 ILE A 79 -13.649 -11.701 -26.339 1.00 34.22 C ATOM 1162 CD1 ILE A 79 -15.557 -13.168 -28.113 1.00 35.10 C ATOM 0 H ILE A 79 -17.503 -11.064 -24.547 1.00 60.15 H new ATOM 0 HA ILE A 79 -15.307 -11.148 -24.373 1.00 2.32 H new ATOM 0 HB ILE A 79 -15.123 -10.526 -27.337 1.00 60.22 H new ATOM 0 HG12 ILE A 79 -16.010 -13.121 -26.028 1.00 62.33 H new ATOM 0 HG13 ILE A 79 -17.012 -12.066 -27.007 1.00 62.33 H new ATOM 0 HG21 ILE A 79 -13.308 -12.190 -27.252 1.00 34.22 H new ATOM 0 HG22 ILE A 79 -13.015 -10.839 -26.130 1.00 34.22 H new ATOM 0 HG23 ILE A 79 -13.591 -12.404 -25.508 1.00 34.22 H new ATOM 0 HD11 ILE A 79 -16.242 -13.994 -28.302 1.00 35.10 H new ATOM 0 HD12 ILE A 79 -15.566 -12.487 -28.964 1.00 35.10 H new ATOM 0 HD13 ILE A 79 -14.549 -13.558 -27.971 1.00 35.10 H new ATOM 1174 N SER A 80 -15.549 -8.299 -24.329 1.00 72.44 N ATOM 1175 CA SER A 80 -15.034 -6.948 -24.143 1.00 53.10 C ATOM 1176 C SER A 80 -13.910 -6.932 -23.112 1.00 20.31 C ATOM 1177 O SER A 80 -14.019 -7.544 -22.049 1.00 62.03 O ATOM 1178 CB SER A 80 -16.158 -6.007 -23.703 1.00 71.43 C ATOM 1179 OG SER A 80 -17.234 -6.033 -24.625 1.00 13.13 O ATOM 0 H SER A 80 -16.395 -8.505 -23.797 1.00 72.44 H new ATOM 0 HA SER A 80 -14.634 -6.604 -25.097 1.00 53.10 H new ATOM 0 HB2 SER A 80 -16.514 -6.298 -22.715 1.00 71.43 H new ATOM 0 HB3 SER A 80 -15.773 -4.991 -23.617 1.00 71.43 H new ATOM 1185 N SER A 81 -12.830 -6.228 -23.434 1.00 63.12 N ATOM 1186 CA SER A 81 -11.683 -6.135 -22.539 1.00 3.13 C ATOM 1187 C SER A 81 -11.080 -4.734 -22.572 1.00 42.21 C ATOM 1188 O SER A 81 -11.166 -4.032 -23.580 1.00 61.22 O ATOM 1189 CB SER A 81 -10.622 -7.168 -22.925 1.00 33.04 C ATOM 1190 OG SER A 81 -10.380 -8.072 -21.861 1.00 30.05 O ATOM 0 H SER A 81 -12.725 -5.713 -24.308 1.00 63.12 H new ATOM 0 HA SER A 81 -12.028 -6.340 -21.525 1.00 3.13 H new ATOM 0 HB2 SER A 81 -10.950 -7.719 -23.807 1.00 33.04 H new ATOM 0 HB3 SER A 81 -9.696 -6.660 -23.193 1.00 33.04 H new ATOM 0 HG SER A 81 -9.700 -8.723 -22.133 1.00 30.05 H new ATOM 1196 N PHE A 82 -10.469 -4.333 -21.462 1.00 51.20 N ATOM 1197 CA PHE A 82 -9.852 -3.015 -21.362 1.00 71.23 C ATOM 1198 C PHE A 82 -8.725 -3.019 -20.334 1.00 21.02 C ATOM 1199 O PHE A 82 -8.853 -3.604 -19.258 1.00 75.34 O ATOM 1200 CB PHE A 82 -10.899 -1.966 -20.984 1.00 52.42 C ATOM 1201 CG PHE A 82 -11.455 -2.145 -19.600 1.00 43.52 C ATOM 1202 CD1 PHE A 82 -12.301 -3.202 -19.311 1.00 35.42 C ATOM 1203 CD2 PHE A 82 -11.130 -1.255 -18.589 1.00 21.34 C ATOM 1204 CE1 PHE A 82 -12.815 -3.369 -18.038 1.00 44.24 C ATOM 1205 CE2 PHE A 82 -11.640 -1.417 -17.314 1.00 44.20 C ATOM 1206 CZ PHE A 82 -12.482 -2.476 -17.038 1.00 53.35 C ATOM 0 H PHE A 82 -10.388 -4.902 -20.619 1.00 51.20 H new ATOM 0 HA PHE A 82 -9.431 -2.763 -22.335 1.00 71.23 H new ATOM 0 HB2 PHE A 82 -10.453 -0.975 -21.062 1.00 52.42 H new ATOM 0 HB3 PHE A 82 -11.717 -2.005 -21.703 1.00 52.42 H new ATOM 0 HD1 PHE A 82 -12.563 -3.904 -20.089 1.00 35.42 H new ATOM 0 HD2 PHE A 82 -10.471 -0.426 -18.799 1.00 21.34 H new ATOM 0 HE1 PHE A 82 -13.476 -4.196 -17.826 1.00 44.24 H new ATOM 0 HE2 PHE A 82 -11.380 -0.716 -16.535 1.00 44.20 H new ATOM 0 HZ PHE A 82 -12.879 -2.606 -16.042 1.00 53.35 H new ATOM 1216 N ARG A 83 -7.620 -2.362 -20.673 1.00 34.12 N ATOM 1217 CA ARG A 83 -6.470 -2.291 -19.781 1.00 3.25 C ATOM 1218 C ARG A 83 -6.180 -0.847 -19.381 1.00 14.13 C ATOM 1219 O ARG A 83 -6.372 0.076 -20.172 1.00 65.22 O ATOM 1220 CB ARG A 83 -5.238 -2.902 -20.452 1.00 13.21 C ATOM 1221 CG ARG A 83 -4.889 -2.259 -21.784 1.00 41.21 C ATOM 1222 CD ARG A 83 -5.445 -3.059 -22.952 1.00 22.04 C ATOM 1223 NE ARG A 83 -4.655 -2.876 -24.166 1.00 43.12 N ATOM 1224 CZ ARG A 83 -3.498 -3.490 -24.390 1.00 73.22 C ATOM 1225 NH1 ARG A 83 -3.000 -4.323 -23.487 1.00 34.12 N ATOM 1226 NH2 ARG A 83 -2.838 -3.272 -25.520 1.00 61.12 N ATOM 0 H ARG A 83 -7.498 -1.872 -21.559 1.00 34.12 H new ATOM 0 HA ARG A 83 -6.705 -2.859 -18.881 1.00 3.25 H new ATOM 0 HB2 ARG A 83 -4.385 -2.810 -19.779 1.00 13.21 H new ATOM 0 HB3 ARG A 83 -5.409 -3.967 -20.606 1.00 13.21 H new ATOM 0 HG2 ARG A 83 -5.286 -1.244 -21.815 1.00 41.21 H new ATOM 0 HG3 ARG A 83 -3.806 -2.180 -21.878 1.00 41.21 H new ATOM 0 HD2 ARG A 83 -5.466 -4.117 -22.689 1.00 22.04 H new ATOM 0 HD3 ARG A 83 -6.475 -2.757 -23.141 1.00 22.04 H new ATOM 0 HE ARG A 83 -5.011 -2.242 -24.882 1.00 43.12 H new ATOM 0 HH11 ARG A 83 -3.505 -4.494 -22.618 1.00 34.12 H new ATOM 0 HH12 ARG A 83 -2.112 -4.793 -23.662 1.00 34.12 H new ATOM 0 HH21 ARG A 83 -3.219 -2.633 -26.218 1.00 61.12 H new ATOM 0 HH22 ARG A 83 -1.950 -3.744 -25.691 1.00 61.12 H new ATOM 1240 N GLN A 84 -5.719 -0.661 -18.148 1.00 55.31 N ATOM 1241 CA GLN A 84 -5.405 0.671 -17.644 1.00 34.24 C ATOM 1242 C GLN A 84 -3.897 0.871 -17.538 1.00 52.20 C ATOM 1243 O GLN A 84 -3.170 -0.027 -17.113 1.00 73.41 O ATOM 1244 CB GLN A 84 -6.058 0.888 -16.277 1.00 44.51 C ATOM 1245 CG GLN A 84 -7.576 0.813 -16.309 1.00 25.55 C ATOM 1246 CD GLN A 84 -8.117 -0.373 -15.534 1.00 63.34 C ATOM 1247 OE1 GLN A 84 -7.926 -0.477 -14.322 1.00 72.23 O ATOM 1248 NE2 GLN A 84 -8.796 -1.276 -16.232 1.00 53.21 N ATOM 0 H GLN A 84 -5.555 -1.415 -17.481 1.00 55.31 H new ATOM 0 HA GLN A 84 -5.801 1.402 -18.349 1.00 34.24 H new ATOM 0 HB2 GLN A 84 -5.680 0.140 -15.580 1.00 44.51 H new ATOM 0 HB3 GLN A 84 -5.759 1.863 -15.891 1.00 44.51 H new ATOM 0 HG2 GLN A 84 -7.990 1.732 -15.895 1.00 25.55 H new ATOM 0 HG3 GLN A 84 -7.911 0.750 -17.344 1.00 25.55 H new ATOM 0 HE21 GLN A 84 -8.930 -1.150 -17.235 1.00 53.21 H new ATOM 0 HE22 GLN A 84 -9.183 -2.096 -15.765 1.00 53.21 H new ATOM 1257 N ILE A 85 -3.434 2.054 -17.927 1.00 42.04 N ATOM 1258 CA ILE A 85 -2.012 2.372 -17.876 1.00 32.24 C ATOM 1259 C ILE A 85 -1.720 3.409 -16.797 1.00 42.31 C ATOM 1260 O ILE A 85 -1.989 4.591 -17.009 1.00 30.31 O ATOM 1261 CB ILE A 85 -1.503 2.899 -19.230 1.00 73.44 C ATOM 1262 CG1 ILE A 85 -2.021 2.020 -20.371 1.00 54.10 C ATOM 1263 CG2 ILE A 85 0.017 2.949 -19.242 1.00 22.22 C ATOM 1264 CD1 ILE A 85 -1.642 0.562 -20.231 1.00 51.42 C ATOM 0 H ILE A 85 -4.023 2.808 -18.281 1.00 42.04 H new ATOM 0 HA ILE A 85 -1.490 1.445 -17.638 1.00 32.24 H new ATOM 0 HB ILE A 85 -1.881 3.911 -19.374 1.00 73.44 H new ATOM 0 HG12 ILE A 85 -3.107 2.102 -20.418 1.00 54.10 H new ATOM 0 HG13 ILE A 85 -1.632 2.399 -21.316 1.00 54.10 H new ATOM 0 HG21 ILE A 85 0.361 3.324 -20.206 1.00 22.22 H new ATOM 0 HG22 ILE A 85 0.366 3.612 -18.450 1.00 22.22 H new ATOM 0 HG23 ILE A 85 0.415 1.948 -19.079 1.00 22.22 H new ATOM 0 HD11 ILE A 85 -2.042 -0.001 -21.074 1.00 51.42 H new ATOM 0 HD12 ILE A 85 -0.556 0.468 -20.215 1.00 51.42 H new ATOM 0 HD13 ILE A 85 -2.054 0.166 -19.303 1.00 51.42 H new TER 1276 ILE A 85 HETATM 1277 CA CA A 126 -22.041 -2.444 -21.599 1.00 51.51 CA HETATM 1278 CA CA A 136 -18.610 -5.919 -26.752 1.00 71.12 CA