USER MOD reduce.3.24.130724 H: found=0, std=0, add=796, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 793 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 86 GLN : amide:sc= -1.31 X(o=-2,f=-1.5) USER MOD Set 1.2: A 90 GLN : amide:sc=-0.000935 X(o=-2,f=-1.5) USER MOD Set 1.3: A 94 HIS : no HE2:sc= -0.65 K(o=-2,f=-2.5) USER MOD Set 2.1: A 77 ASN : amide:sc= -1.6 X(o=-0.62,f=-0.54) USER MOD Set 2.2: A 78 THR OG1 : rot 88:sc= 0.979 USER MOD Set 3.1: A 74 SER OG : rot 180:sc= -0.584 USER MOD Set 3.2: A 85 GLN : amide:sc= -1.17 K(o=-1.8,f=-2.4) USER MOD Set 4.1: A 44 ASN : amide:sc= -1.71 K(o=-2.6,f=-8.8!) USER MOD Set 4.2: A 48 LYS NZ :NH3+ -165:sc= -0.88 (180deg=-0.486) USER MOD Single : A 10 HIS : no HD1:sc= -0.162 X(o=-0.16,f=-0.41) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 MET CE :methyl 168:sc= -0.102 (180deg=-0.138) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 177:sc= -1.64 (180deg=-1.67) USER MOD Single : A 26 LYS NZ :NH3+ -131:sc= -3.03! (180deg=-4.25!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0.12 USER MOD Single : A 32 SER OG : rot 64:sc= 0.5 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 160:sc= -0.0851 USER MOD Single : A 43 GLN : amide:sc= 0.114 K(o=0.11,f=-4.4!) USER MOD Single : A 47 LYS NZ :NH3+ -171:sc= -1.12 (180deg=-1.48!) USER MOD Single : A 49 HIS : no HE2:sc= 0.731 K(o=0.73,f=-2.3!) USER MOD Single : A 50 LYS NZ :NH3+ 143:sc= 0.735 (180deg=-0.0195) USER MOD Single : A 59 HIS : no HD1:sc= -17.6! C(o=-18!,f=-26!) USER MOD Single : A 64 GLN : amide:sc= -1.23 X(o=-1.2,f=-1.5) USER MOD Single : A 69 THR OG1 : rot 77:sc= 0.908 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= -2.45 (180deg=-2.45) USER MOD Single : A 72 LYS NZ :NH3+ -163:sc= -1.04 (180deg=-1.68) USER MOD Single : A 81 LYS NZ :NH3+ -145:sc= -0.144 (180deg=-0.747) USER MOD Single : A 96 LYS NZ :NH3+ 154:sc= 0.483 (180deg=0.439) USER MOD Single : A 99 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.023) USER MOD Single : A 100 GLN : amide:sc= -0.232 K(o=-0.23,f=-2.3) USER MOD Single : A 107 GLN : amide:sc= 0 K(o=0,f=-0.74) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 10 22.338 -9.161 -14.327 1.00 1.70 N ATOM 2 CA HIS A 10 22.145 -10.535 -14.778 1.00 1.73 C ATOM 3 C HIS A 10 23.261 -11.434 -14.259 1.00 1.58 C ATOM 4 O HIS A 10 22.995 -12.473 -13.653 1.00 1.52 O ATOM 5 CB HIS A 10 22.074 -10.600 -16.307 1.00 2.04 C ATOM 6 CG HIS A 10 20.990 -11.498 -16.817 1.00 2.54 C ATOM 7 ND1 HIS A 10 19.693 -11.477 -16.351 1.00 3.19 N ATOM 8 CD2 HIS A 10 21.030 -12.463 -17.769 1.00 3.29 C ATOM 9 CE1 HIS A 10 19.002 -12.410 -17.019 1.00 4.01 C ATOM 10 NE2 HIS A 10 19.767 -13.036 -17.891 1.00 4.11 N ATOM 0 HA HIS A 10 21.198 -10.893 -14.375 1.00 1.73 H new ATOM 0 HB2 HIS A 10 21.917 -9.595 -16.699 1.00 2.04 H new ATOM 0 HB3 HIS A 10 23.033 -10.946 -16.693 1.00 2.04 H new ATOM 0 HD2 HIS A 10 21.902 -12.742 -18.341 1.00 3.29 H new ATOM 0 HE1 HIS A 10 17.954 -12.622 -16.863 1.00 4.01 H new ATOM 0 HE2 HIS A 10 19.491 -13.786 -18.525 1.00 4.11 H new ATOM 18 N GLN A 11 24.510 -11.029 -14.478 1.00 1.60 N ATOM 19 CA GLN A 11 25.642 -11.808 -14.002 1.00 1.56 C ATOM 20 C GLN A 11 25.574 -11.939 -12.490 1.00 1.29 C ATOM 21 O GLN A 11 25.798 -13.016 -11.948 1.00 1.26 O ATOM 22 CB GLN A 11 26.974 -11.182 -14.416 1.00 1.75 C ATOM 23 CG GLN A 11 27.862 -12.134 -15.203 1.00 2.28 C ATOM 24 CD GLN A 11 28.987 -11.425 -15.928 1.00 3.08 C ATOM 25 OE1 GLN A 11 28.841 -11.023 -17.080 1.00 3.64 O ATOM 26 NE2 GLN A 11 30.120 -11.273 -15.256 1.00 3.73 N ATOM 0 H GLN A 11 24.759 -10.175 -14.977 1.00 1.60 H new ATOM 0 HA GLN A 11 25.587 -12.796 -14.459 1.00 1.56 H new ATOM 0 HB2 GLN A 11 26.780 -10.294 -15.018 1.00 1.75 H new ATOM 0 HB3 GLN A 11 27.506 -10.852 -13.524 1.00 1.75 H new ATOM 0 HG2 GLN A 11 28.284 -12.875 -14.524 1.00 2.28 H new ATOM 0 HG3 GLN A 11 27.254 -12.676 -15.927 1.00 2.28 H new ATOM 0 HE21 GLN A 11 30.197 -11.622 -14.301 1.00 3.73 H new ATOM 0 HE22 GLN A 11 30.914 -10.807 -15.694 1.00 3.73 H new ATOM 35 N PHE A 12 25.248 -10.840 -11.808 1.00 1.14 N ATOM 36 CA PHE A 12 25.148 -10.866 -10.353 1.00 0.98 C ATOM 37 C PHE A 12 24.285 -12.047 -9.923 1.00 0.94 C ATOM 38 O PHE A 12 24.708 -12.879 -9.124 1.00 0.91 O ATOM 39 CB PHE A 12 24.558 -9.563 -9.795 1.00 0.98 C ATOM 40 CG PHE A 12 24.017 -9.726 -8.400 1.00 0.86 C ATOM 41 CD1 PHE A 12 24.871 -9.861 -7.316 1.00 0.83 C ATOM 42 CD2 PHE A 12 22.650 -9.704 -8.171 1.00 0.86 C ATOM 43 CE1 PHE A 12 24.369 -9.975 -6.032 1.00 0.77 C ATOM 44 CE2 PHE A 12 22.144 -9.811 -6.892 1.00 0.82 C ATOM 45 CZ PHE A 12 23.033 -10.111 -5.828 1.00 0.76 C ATOM 0 H PHE A 12 25.052 -9.934 -12.234 1.00 1.14 H new ATOM 0 HA PHE A 12 26.156 -10.971 -9.951 1.00 0.98 H new ATOM 0 HB2 PHE A 12 25.327 -8.791 -9.795 1.00 0.98 H new ATOM 0 HB3 PHE A 12 23.760 -9.218 -10.453 1.00 0.98 H new ATOM 0 HD1 PHE A 12 25.939 -9.877 -7.476 1.00 0.83 H new ATOM 0 HD2 PHE A 12 21.972 -9.602 -9.005 1.00 0.86 H new ATOM 0 HE1 PHE A 12 25.042 -9.956 -5.188 1.00 0.77 H new ATOM 0 HE2 PHE A 12 21.090 -9.669 -6.704 1.00 0.82 H new ATOM 0 HZ PHE A 12 22.654 -10.442 -4.872 1.00 0.76 H new ATOM 55 N PHE A 13 23.074 -12.133 -10.475 1.00 1.03 N ATOM 56 CA PHE A 13 22.180 -13.234 -10.139 1.00 1.16 C ATOM 57 C PHE A 13 22.902 -14.562 -10.338 1.00 1.12 C ATOM 58 O PHE A 13 22.846 -15.443 -9.482 1.00 1.08 O ATOM 59 CB PHE A 13 20.900 -13.184 -10.982 1.00 1.42 C ATOM 60 CG PHE A 13 20.185 -11.859 -10.924 1.00 1.67 C ATOM 61 CD1 PHE A 13 19.912 -11.259 -9.707 1.00 2.16 C ATOM 62 CD2 PHE A 13 19.784 -11.218 -12.086 1.00 1.91 C ATOM 63 CE1 PHE A 13 19.253 -10.047 -9.648 1.00 2.70 C ATOM 64 CE2 PHE A 13 19.126 -10.006 -12.032 1.00 2.42 C ATOM 65 CZ PHE A 13 18.875 -9.411 -10.821 1.00 2.77 C ATOM 0 H PHE A 13 22.697 -11.464 -11.146 1.00 1.03 H new ATOM 0 HA PHE A 13 21.890 -13.139 -9.093 1.00 1.16 H new ATOM 0 HB2 PHE A 13 21.150 -13.406 -12.019 1.00 1.42 H new ATOM 0 HB3 PHE A 13 20.222 -13.967 -10.643 1.00 1.42 H new ATOM 0 HD1 PHE A 13 20.218 -11.745 -8.792 1.00 2.16 H new ATOM 0 HD2 PHE A 13 19.989 -11.672 -13.044 1.00 1.91 H new ATOM 0 HE1 PHE A 13 19.033 -9.596 -8.692 1.00 2.70 H new ATOM 0 HE2 PHE A 13 18.808 -9.525 -12.945 1.00 2.42 H new ATOM 0 HZ PHE A 13 18.384 -8.450 -10.782 1.00 2.77 H new ATOM 75 N ARG A 14 23.605 -14.687 -11.465 1.00 1.21 N ATOM 76 CA ARG A 14 24.365 -15.899 -11.755 1.00 1.30 C ATOM 77 C ARG A 14 25.330 -16.187 -10.612 1.00 1.14 C ATOM 78 O ARG A 14 25.325 -17.277 -10.047 1.00 1.12 O ATOM 79 CB ARG A 14 25.132 -15.764 -13.078 1.00 1.55 C ATOM 80 CG ARG A 14 24.684 -16.750 -14.148 1.00 1.71 C ATOM 81 CD ARG A 14 23.343 -16.354 -14.743 1.00 2.48 C ATOM 82 NE ARG A 14 22.258 -16.458 -13.772 1.00 2.80 N ATOM 83 CZ ARG A 14 21.073 -15.875 -13.920 1.00 3.53 C ATOM 84 NH1 ARG A 14 20.806 -15.167 -15.012 1.00 4.35 N ATOM 85 NH2 ARG A 14 20.156 -16.008 -12.974 1.00 3.79 N ATOM 0 H ARG A 14 23.663 -13.968 -12.186 1.00 1.21 H new ATOM 0 HA ARG A 14 23.667 -16.730 -11.854 1.00 1.30 H new ATOM 0 HB2 ARG A 14 25.009 -14.749 -13.457 1.00 1.55 H new ATOM 0 HB3 ARG A 14 26.196 -15.907 -12.887 1.00 1.55 H new ATOM 0 HG2 ARG A 14 25.434 -16.797 -14.938 1.00 1.71 H new ATOM 0 HG3 ARG A 14 24.611 -17.748 -13.717 1.00 1.71 H new ATOM 0 HD2 ARG A 14 23.400 -15.331 -15.114 1.00 2.48 H new ATOM 0 HD3 ARG A 14 23.125 -16.992 -15.599 1.00 2.48 H new ATOM 0 HE ARG A 14 22.419 -17.011 -12.930 1.00 2.80 H new ATOM 0 HH11 ARG A 14 21.512 -15.069 -15.742 1.00 4.35 H new ATOM 0 HH12 ARG A 14 19.895 -14.721 -15.121 1.00 4.35 H new ATOM 0 HH21 ARG A 14 20.361 -16.555 -12.138 1.00 3.79 H new ATOM 0 HH22 ARG A 14 19.244 -15.563 -13.081 1.00 3.79 H new ATOM 99 N ASP A 15 26.145 -15.193 -10.265 1.00 1.12 N ATOM 100 CA ASP A 15 27.099 -15.340 -9.170 1.00 1.14 C ATOM 101 C ASP A 15 26.368 -15.818 -7.916 1.00 1.00 C ATOM 102 O ASP A 15 26.787 -16.773 -7.265 1.00 1.05 O ATOM 103 CB ASP A 15 27.839 -14.015 -8.911 1.00 1.29 C ATOM 104 CG ASP A 15 28.738 -13.588 -10.060 1.00 1.49 C ATOM 105 OD1 ASP A 15 28.204 -13.158 -11.106 1.00 2.10 O ATOM 106 OD2 ASP A 15 29.975 -13.678 -9.912 1.00 1.84 O ATOM 0 H ASP A 15 26.164 -14.282 -10.724 1.00 1.12 H new ATOM 0 HA ASP A 15 27.847 -16.084 -9.444 1.00 1.14 H new ATOM 0 HB2 ASP A 15 27.107 -13.230 -8.722 1.00 1.29 H new ATOM 0 HB3 ASP A 15 28.440 -14.114 -8.007 1.00 1.29 H new ATOM 111 N MET A 16 25.258 -15.155 -7.597 1.00 0.93 N ATOM 112 CA MET A 16 24.451 -15.520 -6.438 1.00 0.98 C ATOM 113 C MET A 16 24.131 -17.011 -6.467 1.00 0.88 C ATOM 114 O MET A 16 24.438 -17.741 -5.526 1.00 0.88 O ATOM 115 CB MET A 16 23.150 -14.710 -6.414 1.00 1.15 C ATOM 116 CG MET A 16 23.116 -13.638 -5.337 1.00 1.45 C ATOM 117 SD MET A 16 21.469 -12.943 -5.097 1.00 1.92 S ATOM 118 CE MET A 16 20.721 -14.187 -4.048 1.00 2.23 C ATOM 0 H MET A 16 24.898 -14.361 -8.127 1.00 0.93 H new ATOM 0 HA MET A 16 25.022 -15.295 -5.537 1.00 0.98 H new ATOM 0 HB2 MET A 16 23.008 -14.239 -7.387 1.00 1.15 H new ATOM 0 HB3 MET A 16 22.312 -15.390 -6.263 1.00 1.15 H new ATOM 0 HG2 MET A 16 23.467 -14.063 -4.397 1.00 1.45 H new ATOM 0 HG3 MET A 16 23.808 -12.839 -5.604 1.00 1.45 H new ATOM 0 HE1 MET A 16 19.785 -13.805 -3.641 1.00 2.23 H new ATOM 0 HE2 MET A 16 20.522 -15.085 -4.633 1.00 2.23 H new ATOM 0 HE3 MET A 16 21.400 -14.430 -3.231 1.00 2.23 H new ATOM 128 N ASP A 17 23.513 -17.458 -7.561 1.00 0.91 N ATOM 129 CA ASP A 17 23.158 -18.865 -7.719 1.00 0.97 C ATOM 130 C ASP A 17 24.390 -19.740 -7.514 1.00 0.88 C ATOM 131 O ASP A 17 24.346 -20.725 -6.780 1.00 0.86 O ATOM 132 CB ASP A 17 22.554 -19.118 -9.106 1.00 1.19 C ATOM 133 CG ASP A 17 21.533 -18.063 -9.507 1.00 1.80 C ATOM 134 OD1 ASP A 17 20.721 -17.664 -8.645 1.00 2.44 O ATOM 135 OD2 ASP A 17 21.545 -17.638 -10.682 1.00 2.46 O ATOM 0 H ASP A 17 23.249 -16.866 -8.348 1.00 0.91 H new ATOM 0 HA ASP A 17 22.411 -19.121 -6.967 1.00 0.97 H new ATOM 0 HB2 ASP A 17 23.354 -19.143 -9.846 1.00 1.19 H new ATOM 0 HB3 ASP A 17 22.079 -20.099 -9.117 1.00 1.19 H new ATOM 140 N ASP A 18 25.498 -19.364 -8.152 1.00 0.95 N ATOM 141 CA ASP A 18 26.746 -20.108 -8.015 1.00 1.09 C ATOM 142 C ASP A 18 27.057 -20.314 -6.538 1.00 1.01 C ATOM 143 O ASP A 18 27.345 -21.428 -6.099 1.00 1.05 O ATOM 144 CB ASP A 18 27.897 -19.372 -8.705 1.00 1.33 C ATOM 145 CG ASP A 18 27.547 -17.932 -9.032 1.00 1.90 C ATOM 146 OD1 ASP A 18 27.782 -17.056 -8.174 1.00 2.49 O ATOM 147 OD2 ASP A 18 27.036 -17.683 -10.144 1.00 2.48 O ATOM 0 H ASP A 18 25.555 -18.552 -8.766 1.00 0.95 H new ATOM 0 HA ASP A 18 26.631 -21.079 -8.497 1.00 1.09 H new ATOM 0 HB2 ASP A 18 28.776 -19.392 -8.061 1.00 1.33 H new ATOM 0 HB3 ASP A 18 28.162 -19.896 -9.623 1.00 1.33 H new ATOM 152 N GLU A 19 26.963 -19.231 -5.770 1.00 1.02 N ATOM 153 CA GLU A 19 27.199 -19.292 -4.334 1.00 1.12 C ATOM 154 C GLU A 19 26.187 -20.243 -3.704 1.00 0.89 C ATOM 155 O GLU A 19 26.551 -21.242 -3.084 1.00 0.88 O ATOM 156 CB GLU A 19 27.085 -17.897 -3.720 1.00 1.38 C ATOM 157 CG GLU A 19 27.795 -17.772 -2.387 1.00 2.04 C ATOM 158 CD GLU A 19 29.283 -17.512 -2.533 1.00 2.53 C ATOM 159 OE1 GLU A 19 29.655 -16.374 -2.885 1.00 3.07 O ATOM 160 OE2 GLU A 19 30.076 -18.447 -2.292 1.00 3.02 O ATOM 0 H GLU A 19 26.725 -18.303 -6.120 1.00 1.02 H new ATOM 0 HA GLU A 19 28.206 -19.662 -4.143 1.00 1.12 H new ATOM 0 HB2 GLU A 19 27.499 -17.166 -4.415 1.00 1.38 H new ATOM 0 HB3 GLU A 19 26.032 -17.650 -3.588 1.00 1.38 H new ATOM 0 HG2 GLU A 19 27.344 -16.961 -1.815 1.00 2.04 H new ATOM 0 HG3 GLU A 19 27.646 -18.687 -1.814 1.00 2.04 H new ATOM 167 N GLU A 20 24.909 -19.934 -3.901 1.00 0.84 N ATOM 168 CA GLU A 20 23.824 -20.770 -3.399 1.00 0.84 C ATOM 169 C GLU A 20 24.149 -22.247 -3.635 1.00 0.73 C ATOM 170 O GLU A 20 23.868 -23.101 -2.796 1.00 0.78 O ATOM 171 CB GLU A 20 22.514 -20.400 -4.107 1.00 1.03 C ATOM 172 CG GLU A 20 21.946 -19.051 -3.690 1.00 1.61 C ATOM 173 CD GLU A 20 20.807 -19.173 -2.690 1.00 1.98 C ATOM 174 OE1 GLU A 20 21.071 -19.555 -1.528 1.00 2.50 O ATOM 175 OE2 GLU A 20 19.653 -18.886 -3.070 1.00 2.49 O ATOM 0 H GLU A 20 24.598 -19.105 -4.408 1.00 0.84 H new ATOM 0 HA GLU A 20 23.710 -20.602 -2.328 1.00 0.84 H new ATOM 0 HB2 GLU A 20 22.684 -20.394 -5.184 1.00 1.03 H new ATOM 0 HB3 GLU A 20 21.773 -21.173 -3.905 1.00 1.03 H new ATOM 0 HG2 GLU A 20 22.742 -18.446 -3.255 1.00 1.61 H new ATOM 0 HG3 GLU A 20 21.591 -18.522 -4.575 1.00 1.61 H new ATOM 182 N SER A 21 24.757 -22.536 -4.788 1.00 0.75 N ATOM 183 CA SER A 21 25.140 -23.899 -5.136 1.00 0.89 C ATOM 184 C SER A 21 26.151 -24.435 -4.124 1.00 0.84 C ATOM 185 O SER A 21 26.025 -25.564 -3.643 1.00 0.91 O ATOM 186 CB SER A 21 25.734 -23.943 -6.547 1.00 1.14 C ATOM 187 OG SER A 21 25.382 -25.143 -7.215 1.00 1.59 O ATOM 0 H SER A 21 24.993 -21.840 -5.495 1.00 0.75 H new ATOM 0 HA SER A 21 24.250 -24.527 -5.113 1.00 0.89 H new ATOM 0 HB2 SER A 21 25.379 -23.087 -7.121 1.00 1.14 H new ATOM 0 HB3 SER A 21 26.819 -23.860 -6.490 1.00 1.14 H new ATOM 0 HG SER A 21 25.773 -25.144 -8.114 1.00 1.59 H new ATOM 193 N TRP A 22 27.144 -23.606 -3.787 1.00 0.91 N ATOM 194 CA TRP A 22 28.170 -23.991 -2.817 1.00 1.05 C ATOM 195 C TRP A 22 27.512 -24.565 -1.566 1.00 0.87 C ATOM 196 O TRP A 22 27.931 -25.599 -1.055 1.00 0.92 O ATOM 197 CB TRP A 22 29.064 -22.795 -2.450 1.00 1.38 C ATOM 198 CG TRP A 22 29.881 -23.033 -1.215 1.00 1.53 C ATOM 199 CD1 TRP A 22 31.171 -23.467 -1.151 1.00 2.19 C ATOM 200 CD2 TRP A 22 29.447 -22.870 0.137 1.00 1.39 C ATOM 201 NE1 TRP A 22 31.557 -23.585 0.160 1.00 2.16 N ATOM 202 CE2 TRP A 22 30.518 -23.227 0.965 1.00 1.65 C ATOM 203 CE3 TRP A 22 28.255 -22.457 0.724 1.00 1.73 C ATOM 204 CZ2 TRP A 22 30.432 -23.187 2.349 1.00 1.79 C ATOM 205 CZ3 TRP A 22 28.171 -22.416 2.095 1.00 2.24 C ATOM 206 CH2 TRP A 22 29.254 -22.781 2.897 1.00 2.11 C ATOM 0 H TRP A 22 27.258 -22.668 -4.171 1.00 0.91 H new ATOM 0 HA TRP A 22 28.802 -24.754 -3.271 1.00 1.05 H new ATOM 0 HB2 TRP A 22 29.731 -22.577 -3.284 1.00 1.38 H new ATOM 0 HB3 TRP A 22 28.440 -21.914 -2.302 1.00 1.38 H new ATOM 0 HD1 TRP A 22 31.796 -23.685 -2.004 1.00 2.19 H new ATOM 0 HE1 TRP A 22 32.475 -23.892 0.481 1.00 2.16 H new ATOM 0 HE3 TRP A 22 27.411 -22.174 0.113 1.00 1.73 H new ATOM 0 HZ2 TRP A 22 31.270 -23.468 2.970 1.00 1.79 H new ATOM 0 HZ3 TRP A 22 27.251 -22.096 2.561 1.00 2.24 H new ATOM 0 HH2 TRP A 22 29.155 -22.740 3.972 1.00 2.11 H new ATOM 217 N ILE A 23 26.470 -23.888 -1.083 1.00 0.80 N ATOM 218 CA ILE A 23 25.740 -24.347 0.093 1.00 0.90 C ATOM 219 C ILE A 23 25.439 -25.836 -0.026 1.00 0.87 C ATOM 220 O ILE A 23 25.870 -26.638 0.803 1.00 0.95 O ATOM 221 CB ILE A 23 24.407 -23.577 0.274 1.00 1.16 C ATOM 222 CG1 ILE A 23 24.670 -22.092 0.561 1.00 1.34 C ATOM 223 CG2 ILE A 23 23.564 -24.201 1.383 1.00 1.46 C ATOM 224 CD1 ILE A 23 23.428 -21.230 0.495 1.00 1.92 C ATOM 0 H ILE A 23 26.115 -23.022 -1.489 1.00 0.80 H new ATOM 0 HA ILE A 23 26.370 -24.159 0.962 1.00 0.90 H new ATOM 0 HB ILE A 23 23.847 -23.649 -0.658 1.00 1.16 H new ATOM 0 HG12 ILE A 23 25.116 -21.996 1.551 1.00 1.34 H new ATOM 0 HG13 ILE A 23 25.401 -21.716 -0.156 1.00 1.34 H new ATOM 0 HG21 ILE A 23 22.634 -23.643 1.491 1.00 1.46 H new ATOM 0 HG22 ILE A 23 23.338 -25.237 1.129 1.00 1.46 H new ATOM 0 HG23 ILE A 23 24.117 -24.169 2.322 1.00 1.46 H new ATOM 0 HD11 ILE A 23 23.692 -20.194 0.709 1.00 1.92 H new ATOM 0 HD12 ILE A 23 22.992 -21.295 -0.502 1.00 1.92 H new ATOM 0 HD13 ILE A 23 22.703 -21.579 1.231 1.00 1.92 H new ATOM 236 N LYS A 24 24.704 -26.196 -1.072 1.00 0.92 N ATOM 237 CA LYS A 24 24.347 -27.590 -1.314 1.00 1.18 C ATOM 238 C LYS A 24 25.587 -28.481 -1.303 1.00 1.21 C ATOM 239 O LYS A 24 25.569 -29.576 -0.744 1.00 1.38 O ATOM 240 CB LYS A 24 23.612 -27.723 -2.652 1.00 1.40 C ATOM 241 CG LYS A 24 23.201 -29.151 -2.991 1.00 2.00 C ATOM 242 CD LYS A 24 23.762 -29.599 -4.335 1.00 2.68 C ATOM 243 CE LYS A 24 25.218 -30.034 -4.223 1.00 3.24 C ATOM 244 NZ LYS A 24 26.158 -28.941 -4.600 1.00 3.58 N ATOM 0 H LYS A 24 24.343 -25.542 -1.767 1.00 0.92 H new ATOM 0 HA LYS A 24 23.686 -27.917 -0.512 1.00 1.18 H new ATOM 0 HB2 LYS A 24 22.722 -27.094 -2.630 1.00 1.40 H new ATOM 0 HB3 LYS A 24 24.253 -27.341 -3.447 1.00 1.40 H new ATOM 0 HG2 LYS A 24 23.550 -29.825 -2.209 1.00 2.00 H new ATOM 0 HG3 LYS A 24 22.113 -29.221 -3.010 1.00 2.00 H new ATOM 0 HD2 LYS A 24 23.165 -30.425 -4.721 1.00 2.68 H new ATOM 0 HD3 LYS A 24 23.680 -28.783 -5.053 1.00 2.68 H new ATOM 0 HE2 LYS A 24 25.424 -30.352 -3.201 1.00 3.24 H new ATOM 0 HE3 LYS A 24 25.389 -30.897 -4.866 1.00 3.24 H new ATOM 0 HZ1 LYS A 24 27.137 -29.262 -4.461 1.00 3.58 H new ATOM 0 HZ2 LYS A 24 26.014 -28.689 -5.599 1.00 3.58 H new ATOM 0 HZ3 LYS A 24 25.979 -28.108 -4.003 1.00 3.58 H new ATOM 258 N GLU A 25 26.662 -28.004 -1.926 1.00 1.18 N ATOM 259 CA GLU A 25 27.910 -28.762 -1.986 1.00 1.40 C ATOM 260 C GLU A 25 28.431 -29.071 -0.588 1.00 1.37 C ATOM 261 O GLU A 25 28.771 -30.214 -0.282 1.00 1.59 O ATOM 262 CB GLU A 25 28.969 -27.991 -2.782 1.00 1.58 C ATOM 263 CG GLU A 25 30.199 -28.820 -3.136 1.00 2.34 C ATOM 264 CD GLU A 25 30.250 -29.223 -4.602 1.00 2.86 C ATOM 265 OE1 GLU A 25 29.176 -29.427 -5.207 1.00 3.26 O ATOM 266 OE2 GLU A 25 31.367 -29.337 -5.148 1.00 3.45 O ATOM 0 H GLU A 25 26.695 -27.099 -2.395 1.00 1.18 H new ATOM 0 HA GLU A 25 27.704 -29.705 -2.492 1.00 1.40 H new ATOM 0 HB2 GLU A 25 28.518 -27.617 -3.701 1.00 1.58 H new ATOM 0 HB3 GLU A 25 29.283 -27.122 -2.204 1.00 1.58 H new ATOM 0 HG2 GLU A 25 31.096 -28.250 -2.891 1.00 2.34 H new ATOM 0 HG3 GLU A 25 30.214 -29.718 -2.519 1.00 2.34 H new ATOM 273 N LYS A 26 28.498 -28.047 0.258 1.00 1.19 N ATOM 274 CA LYS A 26 28.981 -28.227 1.620 1.00 1.29 C ATOM 275 C LYS A 26 28.032 -29.131 2.400 1.00 1.31 C ATOM 276 O LYS A 26 28.467 -30.063 3.073 1.00 1.49 O ATOM 277 CB LYS A 26 29.149 -26.875 2.308 1.00 1.34 C ATOM 278 CG LYS A 26 29.553 -26.974 3.772 1.00 1.63 C ATOM 279 CD LYS A 26 28.393 -26.677 4.709 1.00 2.01 C ATOM 280 CE LYS A 26 28.880 -26.343 6.112 1.00 2.27 C ATOM 281 NZ LYS A 26 30.215 -26.940 6.399 1.00 2.77 N ATOM 0 H LYS A 26 28.226 -27.092 0.025 1.00 1.19 H new ATOM 0 HA LYS A 26 29.958 -28.709 1.589 1.00 1.29 H new ATOM 0 HB2 LYS A 26 29.901 -26.297 1.772 1.00 1.34 H new ATOM 0 HB3 LYS A 26 28.212 -26.323 2.236 1.00 1.34 H new ATOM 0 HG2 LYS A 26 29.935 -27.975 3.975 1.00 1.63 H new ATOM 0 HG3 LYS A 26 30.366 -26.276 3.971 1.00 1.63 H new ATOM 0 HD2 LYS A 26 27.811 -25.843 4.317 1.00 2.01 H new ATOM 0 HD3 LYS A 26 27.727 -27.539 4.750 1.00 2.01 H new ATOM 0 HE2 LYS A 26 28.935 -25.261 6.228 1.00 2.27 H new ATOM 0 HE3 LYS A 26 28.157 -26.706 6.842 1.00 2.27 H new ATOM 0 HZ1 LYS A 26 30.186 -27.432 7.315 1.00 2.77 H new ATOM 0 HZ2 LYS A 26 30.461 -27.618 5.649 1.00 2.77 H new ATOM 0 HZ3 LYS A 26 30.932 -26.187 6.434 1.00 2.77 H new ATOM 295 N LYS A 27 26.732 -28.869 2.283 1.00 1.25 N ATOM 296 CA LYS A 27 25.733 -29.686 2.961 1.00 1.48 C ATOM 297 C LYS A 27 25.936 -31.157 2.606 1.00 1.65 C ATOM 298 O LYS A 27 25.849 -32.033 3.467 1.00 1.84 O ATOM 299 CB LYS A 27 24.323 -29.237 2.568 1.00 1.61 C ATOM 300 CG LYS A 27 23.242 -29.686 3.542 1.00 2.10 C ATOM 301 CD LYS A 27 23.134 -28.747 4.733 1.00 2.50 C ATOM 302 CE LYS A 27 21.928 -29.075 5.601 1.00 3.05 C ATOM 303 NZ LYS A 27 21.624 -27.983 6.566 1.00 3.62 N ATOM 0 H LYS A 27 26.349 -28.103 1.729 1.00 1.25 H new ATOM 0 HA LYS A 27 25.849 -29.562 4.038 1.00 1.48 H new ATOM 0 HB2 LYS A 27 24.305 -28.150 2.496 1.00 1.61 H new ATOM 0 HB3 LYS A 27 24.091 -29.626 1.577 1.00 1.61 H new ATOM 0 HG2 LYS A 27 22.283 -29.731 3.026 1.00 2.10 H new ATOM 0 HG3 LYS A 27 23.463 -30.694 3.892 1.00 2.10 H new ATOM 0 HD2 LYS A 27 24.042 -28.813 5.332 1.00 2.50 H new ATOM 0 HD3 LYS A 27 23.059 -27.718 4.380 1.00 2.50 H new ATOM 0 HE2 LYS A 27 21.060 -29.249 4.965 1.00 3.05 H new ATOM 0 HE3 LYS A 27 22.114 -30.000 6.147 1.00 3.05 H new ATOM 0 HZ1 LYS A 27 20.796 -28.246 7.138 1.00 3.62 H new ATOM 0 HZ2 LYS A 27 22.442 -27.833 7.190 1.00 3.62 H new ATOM 0 HZ3 LYS A 27 21.421 -27.106 6.045 1.00 3.62 H new ATOM 317 N LEU A 28 26.220 -31.419 1.329 1.00 1.65 N ATOM 318 CA LEU A 28 26.453 -32.779 0.859 1.00 1.92 C ATOM 319 C LEU A 28 27.739 -33.326 1.467 1.00 1.96 C ATOM 320 O LEU A 28 27.822 -34.501 1.824 1.00 2.16 O ATOM 321 CB LEU A 28 26.542 -32.805 -0.672 1.00 2.05 C ATOM 322 CG LEU A 28 26.158 -34.136 -1.336 1.00 2.51 C ATOM 323 CD1 LEU A 28 27.186 -35.213 -1.018 1.00 2.78 C ATOM 324 CD2 LEU A 28 24.766 -34.576 -0.903 1.00 3.19 C ATOM 0 H LEU A 28 26.293 -30.705 0.604 1.00 1.65 H new ATOM 0 HA LEU A 28 25.618 -33.406 1.171 1.00 1.92 H new ATOM 0 HB2 LEU A 28 25.896 -32.022 -1.069 1.00 2.05 H new ATOM 0 HB3 LEU A 28 27.562 -32.555 -0.963 1.00 2.05 H new ATOM 0 HG LEU A 28 26.145 -33.984 -2.415 1.00 2.51 H new ATOM 0 HD11 LEU A 28 26.895 -36.147 -1.498 1.00 2.78 H new ATOM 0 HD12 LEU A 28 28.163 -34.904 -1.389 1.00 2.78 H new ATOM 0 HD13 LEU A 28 27.237 -35.360 0.061 1.00 2.78 H new ATOM 0 HD21 LEU A 28 24.516 -35.521 -1.386 1.00 3.19 H new ATOM 0 HD22 LEU A 28 24.745 -34.705 0.179 1.00 3.19 H new ATOM 0 HD23 LEU A 28 24.038 -33.817 -1.192 1.00 3.19 H new ATOM 336 N LEU A 29 28.745 -32.460 1.583 1.00 1.84 N ATOM 337 CA LEU A 29 30.028 -32.849 2.155 1.00 2.00 C ATOM 338 C LEU A 29 29.831 -33.378 3.571 1.00 2.03 C ATOM 339 O LEU A 29 30.375 -34.419 3.940 1.00 2.24 O ATOM 340 CB LEU A 29 30.996 -31.660 2.159 1.00 2.00 C ATOM 341 CG LEU A 29 32.449 -31.984 2.536 1.00 2.43 C ATOM 342 CD1 LEU A 29 32.625 -32.008 4.050 1.00 3.02 C ATOM 343 CD2 LEU A 29 32.887 -33.305 1.920 1.00 3.08 C ATOM 0 H LEU A 29 28.694 -31.485 1.288 1.00 1.84 H new ATOM 0 HA LEU A 29 30.458 -33.640 1.541 1.00 2.00 H new ATOM 0 HB2 LEU A 29 30.990 -31.207 1.168 1.00 2.00 H new ATOM 0 HB3 LEU A 29 30.618 -30.910 2.854 1.00 2.00 H new ATOM 0 HG LEU A 29 33.085 -31.196 2.134 1.00 2.43 H new ATOM 0 HD11 LEU A 29 33.662 -32.240 4.292 1.00 3.02 H new ATOM 0 HD12 LEU A 29 32.365 -31.033 4.462 1.00 3.02 H new ATOM 0 HD13 LEU A 29 31.974 -32.769 4.480 1.00 3.02 H new ATOM 0 HD21 LEU A 29 33.919 -33.513 2.201 1.00 3.08 H new ATOM 0 HD22 LEU A 29 32.244 -34.107 2.283 1.00 3.08 H new ATOM 0 HD23 LEU A 29 32.812 -33.243 0.834 1.00 3.08 H new ATOM 355 N VAL A 30 29.035 -32.659 4.358 1.00 1.90 N ATOM 356 CA VAL A 30 28.754 -33.066 5.729 1.00 2.05 C ATOM 357 C VAL A 30 28.291 -34.516 5.754 1.00 2.27 C ATOM 358 O VAL A 30 28.819 -35.341 6.503 1.00 2.48 O ATOM 359 CB VAL A 30 27.674 -32.173 6.377 1.00 2.03 C ATOM 360 CG1 VAL A 30 27.272 -32.717 7.744 1.00 2.35 C ATOM 361 CG2 VAL A 30 28.158 -30.732 6.486 1.00 2.26 C ATOM 0 H VAL A 30 28.575 -31.795 4.070 1.00 1.90 H new ATOM 0 HA VAL A 30 29.675 -32.958 6.302 1.00 2.05 H new ATOM 0 HB VAL A 30 26.793 -32.185 5.736 1.00 2.03 H new ATOM 0 HG11 VAL A 30 26.510 -32.072 8.182 1.00 2.35 H new ATOM 0 HG12 VAL A 30 26.873 -33.725 7.632 1.00 2.35 H new ATOM 0 HG13 VAL A 30 28.145 -32.743 8.396 1.00 2.35 H new ATOM 0 HG21 VAL A 30 27.381 -30.121 6.945 1.00 2.26 H new ATOM 0 HG22 VAL A 30 29.058 -30.696 7.100 1.00 2.26 H new ATOM 0 HG23 VAL A 30 28.381 -30.347 5.491 1.00 2.26 H new ATOM 371 N SER A 31 27.308 -34.821 4.913 1.00 2.30 N ATOM 372 CA SER A 31 26.773 -36.171 4.816 1.00 2.61 C ATOM 373 C SER A 31 27.882 -37.155 4.458 1.00 2.74 C ATOM 374 O SER A 31 27.914 -38.282 4.954 1.00 3.01 O ATOM 375 CB SER A 31 25.660 -36.228 3.765 1.00 2.70 C ATOM 376 OG SER A 31 25.126 -34.938 3.515 1.00 2.71 O ATOM 0 H SER A 31 26.866 -34.148 4.288 1.00 2.30 H new ATOM 0 HA SER A 31 26.356 -36.449 5.784 1.00 2.61 H new ATOM 0 HB2 SER A 31 26.052 -36.648 2.839 1.00 2.70 H new ATOM 0 HB3 SER A 31 24.867 -36.893 4.107 1.00 2.70 H new ATOM 0 HG SER A 31 24.419 -35.002 2.840 1.00 2.71 H new ATOM 382 N SER A 32 28.796 -36.712 3.596 1.00 2.63 N ATOM 383 CA SER A 32 29.914 -37.548 3.171 1.00 2.85 C ATOM 384 C SER A 32 30.787 -37.922 4.362 1.00 2.93 C ATOM 385 O SER A 32 31.105 -39.091 4.564 1.00 3.19 O ATOM 386 CB SER A 32 30.752 -36.836 2.105 1.00 2.84 C ATOM 387 OG SER A 32 29.931 -36.272 1.097 1.00 3.16 O ATOM 0 H SER A 32 28.783 -35.781 3.180 1.00 2.63 H new ATOM 0 HA SER A 32 29.506 -38.461 2.737 1.00 2.85 H new ATOM 0 HB2 SER A 32 31.349 -36.052 2.572 1.00 2.84 H new ATOM 0 HB3 SER A 32 31.450 -37.543 1.656 1.00 2.84 H new ATOM 0 HG SER A 32 29.366 -35.574 1.488 1.00 3.16 H new ATOM 393 N GLU A 33 31.168 -36.920 5.151 1.00 2.79 N ATOM 394 CA GLU A 33 31.999 -37.149 6.329 1.00 2.95 C ATOM 395 C GLU A 33 31.333 -38.148 7.269 1.00 3.13 C ATOM 396 O GLU A 33 31.983 -39.055 7.785 1.00 3.53 O ATOM 397 CB GLU A 33 32.269 -35.833 7.061 1.00 3.57 C ATOM 398 CG GLU A 33 33.141 -34.865 6.271 1.00 3.89 C ATOM 399 CD GLU A 33 34.629 -35.080 6.494 1.00 3.97 C ATOM 400 OE1 GLU A 33 35.031 -36.223 6.805 1.00 4.37 O ATOM 401 OE2 GLU A 33 35.397 -34.104 6.352 1.00 4.15 O ATOM 0 H GLU A 33 30.915 -35.944 4.996 1.00 2.79 H new ATOM 0 HA GLU A 33 32.951 -37.564 5.999 1.00 2.95 H new ATOM 0 HB2 GLU A 33 31.318 -35.351 7.287 1.00 3.57 H new ATOM 0 HB3 GLU A 33 32.752 -36.049 8.014 1.00 3.57 H new ATOM 0 HG2 GLU A 33 32.920 -34.972 5.209 1.00 3.89 H new ATOM 0 HG3 GLU A 33 32.882 -33.843 6.549 1.00 3.89 H new ATOM 408 N ASP A 34 30.029 -37.971 7.485 1.00 3.39 N ATOM 409 CA ASP A 34 29.271 -38.862 8.360 1.00 4.20 C ATOM 410 C ASP A 34 29.436 -40.317 7.926 1.00 4.34 C ATOM 411 O ASP A 34 29.891 -41.156 8.704 1.00 4.57 O ATOM 412 CB ASP A 34 27.786 -38.482 8.358 1.00 4.70 C ATOM 413 CG ASP A 34 26.903 -39.576 7.787 1.00 4.63 C ATOM 414 OD1 ASP A 34 27.163 -40.013 6.646 1.00 4.83 O ATOM 415 OD2 ASP A 34 25.951 -39.994 8.478 1.00 4.85 O ATOM 0 H ASP A 34 29.478 -37.221 7.067 1.00 3.39 H new ATOM 0 HA ASP A 34 29.662 -38.754 9.372 1.00 4.20 H new ATOM 0 HB2 ASP A 34 27.470 -38.261 9.378 1.00 4.70 H new ATOM 0 HB3 ASP A 34 27.649 -37.570 7.777 1.00 4.70 H new ATOM 420 N TYR A 35 29.067 -40.609 6.678 1.00 4.62 N ATOM 421 CA TYR A 35 29.177 -41.966 6.145 1.00 5.01 C ATOM 422 C TYR A 35 30.625 -42.447 6.170 1.00 4.75 C ATOM 423 O TYR A 35 30.900 -43.606 6.484 1.00 5.05 O ATOM 424 CB TYR A 35 28.635 -42.028 4.711 1.00 5.66 C ATOM 425 CG TYR A 35 27.140 -41.813 4.616 1.00 6.44 C ATOM 426 CD1 TYR A 35 26.251 -42.712 5.195 1.00 6.95 C ATOM 427 CD2 TYR A 35 26.615 -40.709 3.956 1.00 6.97 C ATOM 428 CE1 TYR A 35 24.886 -42.515 5.119 1.00 7.93 C ATOM 429 CE2 TYR A 35 25.252 -40.506 3.875 1.00 7.94 C ATOM 430 CZ TYR A 35 24.392 -41.411 4.458 1.00 8.40 C ATOM 431 OH TYR A 35 23.033 -41.211 4.381 1.00 9.52 O ATOM 0 H TYR A 35 28.691 -39.926 6.020 1.00 4.62 H new ATOM 0 HA TYR A 35 28.581 -42.622 6.779 1.00 5.01 H new ATOM 0 HB2 TYR A 35 29.141 -41.274 4.108 1.00 5.66 H new ATOM 0 HB3 TYR A 35 28.882 -42.998 4.280 1.00 5.66 H new ATOM 0 HD1 TYR A 35 26.634 -43.579 5.713 1.00 6.95 H new ATOM 0 HD2 TYR A 35 27.285 -39.997 3.498 1.00 6.97 H new ATOM 0 HE1 TYR A 35 24.209 -43.222 5.575 1.00 7.93 H new ATOM 0 HE2 TYR A 35 24.862 -39.642 3.357 1.00 7.94 H new ATOM 0 HH TYR A 35 22.851 -40.387 3.883 1.00 9.52 H new ATOM 441 N GLY A 36 31.544 -41.547 5.829 1.00 4.65 N ATOM 442 CA GLY A 36 32.957 -41.886 5.809 1.00 4.85 C ATOM 443 C GLY A 36 33.485 -42.268 7.176 1.00 4.72 C ATOM 444 O GLY A 36 33.323 -41.520 8.142 1.00 4.78 O ATOM 0 H GLY A 36 31.334 -40.584 5.565 1.00 4.65 H new ATOM 0 HA2 GLY A 36 33.118 -42.713 5.117 1.00 4.85 H new ATOM 0 HA3 GLY A 36 33.525 -41.037 5.429 1.00 4.85 H new ATOM 448 N ARG A 37 34.118 -43.435 7.256 1.00 4.88 N ATOM 449 CA ARG A 37 34.677 -43.930 8.511 1.00 4.91 C ATOM 450 C ARG A 37 36.104 -44.406 8.310 1.00 4.57 C ATOM 451 O ARG A 37 36.373 -45.609 8.250 1.00 4.62 O ATOM 452 CB ARG A 37 33.812 -45.068 9.069 1.00 5.47 C ATOM 453 CG ARG A 37 33.718 -45.081 10.588 1.00 5.76 C ATOM 454 CD ARG A 37 34.971 -45.652 11.241 1.00 5.57 C ATOM 455 NE ARG A 37 35.318 -44.928 12.463 1.00 6.10 N ATOM 456 CZ ARG A 37 34.716 -45.120 13.633 1.00 6.73 C ATOM 457 NH1 ARG A 37 33.740 -46.010 13.740 1.00 7.03 N ATOM 458 NH2 ARG A 37 35.092 -44.425 14.699 1.00 7.28 N ATOM 0 H ARG A 37 34.257 -44.059 6.461 1.00 4.88 H new ATOM 0 HA ARG A 37 34.684 -43.111 9.230 1.00 4.91 H new ATOM 0 HB2 ARG A 37 32.808 -44.986 8.653 1.00 5.47 H new ATOM 0 HB3 ARG A 37 34.220 -46.021 8.731 1.00 5.47 H new ATOM 0 HG2 ARG A 37 33.554 -44.065 10.948 1.00 5.76 H new ATOM 0 HG3 ARG A 37 32.853 -45.670 10.891 1.00 5.76 H new ATOM 0 HD2 ARG A 37 34.813 -46.705 11.474 1.00 5.57 H new ATOM 0 HD3 ARG A 37 35.803 -45.602 10.539 1.00 5.57 H new ATOM 0 HE ARG A 37 36.065 -44.235 12.415 1.00 6.10 H new ATOM 0 HH11 ARG A 37 33.450 -46.549 12.924 1.00 7.03 H new ATOM 0 HH12 ARG A 37 33.279 -46.156 14.638 1.00 7.03 H new ATOM 0 HH21 ARG A 37 35.845 -43.741 14.622 1.00 7.28 H new ATOM 0 HH22 ARG A 37 34.628 -44.575 15.595 1.00 7.28 H new ATOM 472 N ASP A 38 37.023 -43.453 8.233 1.00 4.69 N ATOM 473 CA ASP A 38 38.431 -43.773 8.072 1.00 4.86 C ATOM 474 C ASP A 38 38.897 -44.610 9.258 1.00 4.66 C ATOM 475 O ASP A 38 39.839 -45.394 9.144 1.00 4.86 O ATOM 476 CB ASP A 38 39.262 -42.491 7.966 1.00 5.43 C ATOM 477 CG ASP A 38 38.675 -41.350 8.780 1.00 5.48 C ATOM 478 OD1 ASP A 38 38.518 -41.520 10.006 1.00 5.43 O ATOM 479 OD2 ASP A 38 38.366 -40.294 8.190 1.00 5.96 O ATOM 0 H ASP A 38 36.818 -42.455 8.279 1.00 4.69 H new ATOM 0 HA ASP A 38 38.567 -44.343 7.153 1.00 4.86 H new ATOM 0 HB2 ASP A 38 40.278 -42.691 8.306 1.00 5.43 H new ATOM 0 HB3 ASP A 38 39.329 -42.190 6.920 1.00 5.43 H new ATOM 484 N LEU A 39 38.208 -44.429 10.391 1.00 4.60 N ATOM 485 CA LEU A 39 38.503 -45.142 11.630 1.00 4.67 C ATOM 486 C LEU A 39 39.554 -44.384 12.427 1.00 4.33 C ATOM 487 O LEU A 39 40.343 -44.970 13.167 1.00 4.41 O ATOM 488 CB LEU A 39 38.942 -46.588 11.350 1.00 4.84 C ATOM 489 CG LEU A 39 38.766 -47.587 12.509 1.00 5.16 C ATOM 490 CD1 LEU A 39 40.058 -47.728 13.308 1.00 5.47 C ATOM 491 CD2 LEU A 39 37.615 -47.183 13.420 1.00 5.40 C ATOM 0 H LEU A 39 37.426 -43.779 10.470 1.00 4.60 H new ATOM 0 HA LEU A 39 37.592 -45.196 12.226 1.00 4.67 H new ATOM 0 HB2 LEU A 39 38.381 -46.957 10.491 1.00 4.84 H new ATOM 0 HB3 LEU A 39 39.993 -46.578 11.063 1.00 4.84 H new ATOM 0 HG LEU A 39 38.524 -48.556 12.073 1.00 5.16 H new ATOM 0 HD11 LEU A 39 39.908 -48.439 14.121 1.00 5.47 H new ATOM 0 HD12 LEU A 39 40.853 -48.087 12.654 1.00 5.47 H new ATOM 0 HD13 LEU A 39 40.338 -46.759 13.721 1.00 5.47 H new ATOM 0 HD21 LEU A 39 37.518 -47.909 14.227 1.00 5.40 H new ATOM 0 HD22 LEU A 39 37.813 -46.197 13.840 1.00 5.40 H new ATOM 0 HD23 LEU A 39 36.689 -47.154 12.845 1.00 5.40 H new ATOM 503 N THR A 40 39.541 -43.064 12.271 1.00 4.12 N ATOM 504 CA THR A 40 40.475 -42.196 12.982 1.00 3.95 C ATOM 505 C THR A 40 39.825 -40.853 13.290 1.00 3.81 C ATOM 506 O THR A 40 39.702 -39.999 12.418 1.00 3.56 O ATOM 507 CB THR A 40 41.764 -41.991 12.171 1.00 3.89 C ATOM 508 OG1 THR A 40 42.616 -41.057 12.815 1.00 4.22 O ATOM 509 CG2 THR A 40 41.530 -41.495 10.755 1.00 3.59 C ATOM 0 H THR A 40 38.893 -42.571 11.657 1.00 4.12 H new ATOM 0 HA THR A 40 40.738 -42.682 13.922 1.00 3.95 H new ATOM 0 HB THR A 40 42.220 -42.980 12.114 1.00 3.89 H new ATOM 0 HG1 THR A 40 43.532 -41.169 12.486 1.00 4.22 H new ATOM 0 HG21 THR A 40 42.488 -41.375 10.248 1.00 3.59 H new ATOM 0 HG22 THR A 40 40.920 -42.218 10.212 1.00 3.59 H new ATOM 0 HG23 THR A 40 41.014 -40.535 10.786 1.00 3.59 H new ATOM 517 N GLY A 41 39.404 -40.674 14.536 1.00 4.04 N ATOM 518 CA GLY A 41 38.773 -39.430 14.928 1.00 4.02 C ATOM 519 C GLY A 41 39.638 -38.221 14.627 1.00 3.78 C ATOM 520 O GLY A 41 39.182 -37.266 14.003 1.00 3.57 O ATOM 0 H GLY A 41 39.488 -41.367 15.280 1.00 4.04 H new ATOM 0 HA2 GLY A 41 37.820 -39.330 14.408 1.00 4.02 H new ATOM 0 HA3 GLY A 41 38.552 -39.458 15.995 1.00 4.02 H new ATOM 524 N VAL A 42 40.885 -38.263 15.078 1.00 3.86 N ATOM 525 CA VAL A 42 41.822 -37.161 14.872 1.00 3.76 C ATOM 526 C VAL A 42 41.963 -36.778 13.398 1.00 3.39 C ATOM 527 O VAL A 42 41.744 -35.624 13.032 1.00 3.25 O ATOM 528 CB VAL A 42 43.217 -37.489 15.447 1.00 3.99 C ATOM 529 CG1 VAL A 42 43.198 -37.408 16.967 1.00 4.39 C ATOM 530 CG2 VAL A 42 43.693 -38.862 14.985 1.00 4.39 C ATOM 0 H VAL A 42 41.275 -39.053 15.592 1.00 3.86 H new ATOM 0 HA VAL A 42 41.401 -36.310 15.407 1.00 3.76 H new ATOM 0 HB VAL A 42 43.922 -36.748 15.070 1.00 3.99 H new ATOM 0 HG11 VAL A 42 44.189 -37.642 17.356 1.00 4.39 H new ATOM 0 HG12 VAL A 42 42.916 -36.401 17.274 1.00 4.39 H new ATOM 0 HG13 VAL A 42 42.476 -38.123 17.360 1.00 4.39 H new ATOM 0 HG21 VAL A 42 44.678 -39.066 15.405 1.00 4.39 H new ATOM 0 HG22 VAL A 42 42.990 -39.623 15.322 1.00 4.39 H new ATOM 0 HG23 VAL A 42 43.752 -38.879 13.897 1.00 4.39 H new ATOM 540 N GLN A 43 42.340 -37.734 12.554 1.00 3.28 N ATOM 541 CA GLN A 43 42.510 -37.458 11.133 1.00 3.01 C ATOM 542 C GLN A 43 41.193 -37.001 10.516 1.00 2.82 C ATOM 543 O GLN A 43 41.158 -36.035 9.754 1.00 2.61 O ATOM 544 CB GLN A 43 43.041 -38.694 10.402 1.00 3.07 C ATOM 545 CG GLN A 43 44.167 -38.391 9.424 1.00 3.47 C ATOM 546 CD GLN A 43 45.293 -37.589 10.049 1.00 3.77 C ATOM 547 OE1 GLN A 43 45.813 -36.653 9.443 1.00 4.06 O ATOM 548 NE2 GLN A 43 45.678 -37.954 11.267 1.00 4.24 N ATOM 0 H GLN A 43 42.532 -38.698 12.827 1.00 3.28 H new ATOM 0 HA GLN A 43 43.240 -36.655 11.026 1.00 3.01 H new ATOM 0 HB2 GLN A 43 43.396 -39.416 11.138 1.00 3.07 H new ATOM 0 HB3 GLN A 43 42.220 -39.166 9.862 1.00 3.07 H new ATOM 0 HG2 GLN A 43 44.567 -39.328 9.037 1.00 3.47 H new ATOM 0 HG3 GLN A 43 43.764 -37.841 8.574 1.00 3.47 H new ATOM 0 HE21 GLN A 43 45.219 -38.736 11.734 1.00 4.24 H new ATOM 0 HE22 GLN A 43 46.432 -37.452 11.735 1.00 4.24 H new ATOM 557 N ASN A 44 40.110 -37.689 10.865 1.00 2.97 N ATOM 558 CA ASN A 44 38.787 -37.343 10.354 1.00 2.93 C ATOM 559 C ASN A 44 38.423 -35.913 10.750 1.00 2.82 C ATOM 560 O ASN A 44 37.841 -35.169 9.962 1.00 2.66 O ATOM 561 CB ASN A 44 37.730 -38.324 10.877 1.00 3.26 C ATOM 562 CG ASN A 44 36.514 -38.411 9.969 1.00 3.37 C ATOM 563 OD1 ASN A 44 36.073 -37.410 9.404 1.00 3.42 O ATOM 564 ND2 ASN A 44 35.971 -39.614 9.821 1.00 3.83 N ATOM 0 H ASN A 44 40.122 -38.488 11.499 1.00 2.97 H new ATOM 0 HA ASN A 44 38.811 -37.411 9.266 1.00 2.93 H new ATOM 0 HB2 ASN A 44 38.176 -39.314 10.977 1.00 3.26 H new ATOM 0 HB3 ASN A 44 37.414 -38.015 11.873 1.00 3.26 H new ATOM 0 HD21 ASN A 44 35.156 -39.735 9.220 1.00 3.83 H new ATOM 0 HD22 ASN A 44 36.369 -40.417 10.308 1.00 3.83 H new ATOM 571 N LEU A 45 38.786 -35.534 11.976 1.00 3.00 N ATOM 572 CA LEU A 45 38.517 -34.191 12.478 1.00 3.01 C ATOM 573 C LEU A 45 39.292 -33.171 11.653 1.00 2.73 C ATOM 574 O LEU A 45 38.714 -32.244 11.081 1.00 2.57 O ATOM 575 CB LEU A 45 38.919 -34.087 13.956 1.00 3.36 C ATOM 576 CG LEU A 45 38.904 -32.671 14.541 1.00 3.84 C ATOM 577 CD1 LEU A 45 37.476 -32.163 14.679 1.00 4.23 C ATOM 578 CD2 LEU A 45 39.614 -32.644 15.886 1.00 4.27 C ATOM 0 H LEU A 45 39.268 -36.141 12.639 1.00 3.00 H new ATOM 0 HA LEU A 45 37.450 -33.986 12.392 1.00 3.01 H new ATOM 0 HB2 LEU A 45 38.246 -34.712 14.543 1.00 3.36 H new ATOM 0 HB3 LEU A 45 39.921 -34.500 14.073 1.00 3.36 H new ATOM 0 HG LEU A 45 39.437 -32.010 13.857 1.00 3.84 H new ATOM 0 HD11 LEU A 45 37.487 -31.156 15.096 1.00 4.23 H new ATOM 0 HD12 LEU A 45 37.000 -32.145 13.699 1.00 4.23 H new ATOM 0 HD13 LEU A 45 36.917 -32.824 15.341 1.00 4.23 H new ATOM 0 HD21 LEU A 45 39.594 -31.631 16.288 1.00 4.27 H new ATOM 0 HD22 LEU A 45 39.109 -33.318 16.578 1.00 4.27 H new ATOM 0 HD23 LEU A 45 40.648 -32.963 15.758 1.00 4.27 H new ATOM 590 N ARG A 46 40.608 -33.359 11.588 1.00 2.73 N ATOM 591 CA ARG A 46 41.476 -32.471 10.824 1.00 2.59 C ATOM 592 C ARG A 46 40.954 -32.332 9.400 1.00 2.28 C ATOM 593 O ARG A 46 41.100 -31.286 8.770 1.00 2.17 O ATOM 594 CB ARG A 46 42.908 -33.011 10.813 1.00 2.76 C ATOM 595 CG ARG A 46 43.950 -31.973 10.418 1.00 2.97 C ATOM 596 CD ARG A 46 44.318 -32.076 8.946 1.00 3.51 C ATOM 597 NE ARG A 46 44.977 -33.342 8.633 1.00 4.06 N ATOM 598 CZ ARG A 46 45.479 -33.639 7.437 1.00 4.80 C ATOM 599 NH1 ARG A 46 45.396 -32.762 6.446 1.00 5.49 N ATOM 600 NH2 ARG A 46 46.069 -34.811 7.232 1.00 5.15 N ATOM 0 H ARG A 46 41.096 -34.121 12.057 1.00 2.73 H new ATOM 0 HA ARG A 46 41.479 -31.488 11.296 1.00 2.59 H new ATOM 0 HB2 ARG A 46 43.149 -33.397 11.804 1.00 2.76 H new ATOM 0 HB3 ARG A 46 42.965 -33.852 10.121 1.00 2.76 H new ATOM 0 HG2 ARG A 46 43.567 -30.975 10.628 1.00 2.97 H new ATOM 0 HG3 ARG A 46 44.844 -32.106 11.027 1.00 2.97 H new ATOM 0 HD2 ARG A 46 43.418 -31.976 8.340 1.00 3.51 H new ATOM 0 HD3 ARG A 46 44.976 -31.249 8.678 1.00 3.51 H new ATOM 0 HE ARG A 46 45.057 -34.038 9.374 1.00 4.06 H new ATOM 0 HH11 ARG A 46 44.947 -31.859 6.600 1.00 5.49 H new ATOM 0 HH12 ARG A 46 45.781 -32.990 5.529 1.00 5.49 H new ATOM 0 HH21 ARG A 46 46.138 -35.487 7.993 1.00 5.15 H new ATOM 0 HH22 ARG A 46 46.453 -35.035 6.314 1.00 5.15 H new ATOM 614 N LYS A 47 40.336 -33.401 8.906 1.00 2.24 N ATOM 615 CA LYS A 47 39.772 -33.421 7.565 1.00 2.12 C ATOM 616 C LYS A 47 38.648 -32.397 7.450 1.00 2.02 C ATOM 617 O LYS A 47 38.668 -31.533 6.573 1.00 1.89 O ATOM 618 CB LYS A 47 39.240 -34.823 7.243 1.00 2.32 C ATOM 619 CG LYS A 47 39.474 -35.264 5.808 1.00 2.70 C ATOM 620 CD LYS A 47 38.312 -36.099 5.287 1.00 3.12 C ATOM 621 CE LYS A 47 38.343 -37.515 5.838 1.00 3.66 C ATOM 622 NZ LYS A 47 37.623 -37.617 7.137 1.00 4.30 N ATOM 0 H LYS A 47 40.214 -34.272 9.423 1.00 2.24 H new ATOM 0 HA LYS A 47 40.554 -33.164 6.850 1.00 2.12 H new ATOM 0 HB2 LYS A 47 39.712 -35.541 7.913 1.00 2.32 H new ATOM 0 HB3 LYS A 47 38.170 -34.850 7.449 1.00 2.32 H new ATOM 0 HG2 LYS A 47 39.608 -34.388 5.174 1.00 2.70 H new ATOM 0 HG3 LYS A 47 40.395 -35.843 5.749 1.00 2.70 H new ATOM 0 HD2 LYS A 47 37.371 -35.623 5.561 1.00 3.12 H new ATOM 0 HD3 LYS A 47 38.347 -36.132 4.198 1.00 3.12 H new ATOM 0 HE2 LYS A 47 37.891 -38.196 5.117 1.00 3.66 H new ATOM 0 HE3 LYS A 47 39.378 -37.832 5.970 1.00 3.66 H new ATOM 0 HZ1 LYS A 47 37.793 -38.554 7.556 1.00 4.30 H new ATOM 0 HZ2 LYS A 47 37.969 -36.880 7.784 1.00 4.30 H new ATOM 0 HZ3 LYS A 47 36.603 -37.488 6.980 1.00 4.30 H new ATOM 636 N LYS A 48 37.679 -32.492 8.356 1.00 2.17 N ATOM 637 CA LYS A 48 36.552 -31.565 8.370 1.00 2.20 C ATOM 638 C LYS A 48 37.059 -30.139 8.540 1.00 2.02 C ATOM 639 O LYS A 48 36.542 -29.208 7.928 1.00 1.90 O ATOM 640 CB LYS A 48 35.577 -31.920 9.499 1.00 2.54 C ATOM 641 CG LYS A 48 34.747 -33.165 9.217 1.00 3.02 C ATOM 642 CD LYS A 48 33.825 -33.505 10.379 1.00 3.19 C ATOM 643 CE LYS A 48 34.551 -34.289 11.462 1.00 3.73 C ATOM 644 NZ LYS A 48 35.080 -35.583 10.953 1.00 4.17 N ATOM 0 H LYS A 48 37.652 -33.201 9.089 1.00 2.17 H new ATOM 0 HA LYS A 48 36.021 -31.644 7.421 1.00 2.20 H new ATOM 0 HB2 LYS A 48 36.140 -32.069 10.420 1.00 2.54 H new ATOM 0 HB3 LYS A 48 34.907 -31.077 9.668 1.00 2.54 H new ATOM 0 HG2 LYS A 48 34.154 -33.010 8.316 1.00 3.02 H new ATOM 0 HG3 LYS A 48 35.410 -34.007 9.021 1.00 3.02 H new ATOM 0 HD2 LYS A 48 33.421 -32.586 10.804 1.00 3.19 H new ATOM 0 HD3 LYS A 48 32.979 -34.087 10.014 1.00 3.19 H new ATOM 0 HE2 LYS A 48 35.373 -33.690 11.854 1.00 3.73 H new ATOM 0 HE3 LYS A 48 33.870 -34.477 12.292 1.00 3.73 H new ATOM 0 HZ1 LYS A 48 35.337 -36.193 11.755 1.00 4.17 H new ATOM 0 HZ2 LYS A 48 34.352 -36.054 10.379 1.00 4.17 H new ATOM 0 HZ3 LYS A 48 35.922 -35.408 10.368 1.00 4.17 H new ATOM 658 N HIS A 49 38.083 -29.983 9.373 1.00 2.10 N ATOM 659 CA HIS A 49 38.677 -28.677 9.621 1.00 2.10 C ATOM 660 C HIS A 49 39.203 -28.074 8.321 1.00 1.82 C ATOM 661 O HIS A 49 38.826 -26.967 7.944 1.00 1.72 O ATOM 662 CB HIS A 49 39.814 -28.791 10.643 1.00 2.37 C ATOM 663 CG HIS A 49 39.500 -28.146 11.957 1.00 2.66 C ATOM 664 ND1 HIS A 49 39.527 -26.786 12.166 1.00 2.97 N ATOM 665 CD2 HIS A 49 39.139 -28.700 13.142 1.00 3.22 C ATOM 666 CE1 HIS A 49 39.190 -26.558 13.443 1.00 3.47 C ATOM 667 NE2 HIS A 49 38.944 -27.688 14.079 1.00 3.60 N ATOM 0 H HIS A 49 38.519 -30.748 9.888 1.00 2.10 H new ATOM 0 HA HIS A 49 37.906 -28.022 10.025 1.00 2.10 H new ATOM 0 HB2 HIS A 49 40.039 -29.845 10.809 1.00 2.37 H new ATOM 0 HB3 HIS A 49 40.713 -28.334 10.228 1.00 2.37 H new ATOM 0 HD1 HIS A 49 39.762 -26.077 11.472 1.00 2.97 H new ATOM 0 HD2 HIS A 49 39.022 -29.757 13.329 1.00 3.22 H new ATOM 0 HE1 HIS A 49 39.128 -25.578 13.893 1.00 3.47 H new ATOM 675 N LYS A 50 40.074 -28.816 7.634 1.00 1.76 N ATOM 676 CA LYS A 50 40.644 -28.350 6.373 1.00 1.67 C ATOM 677 C LYS A 50 39.542 -27.997 5.385 1.00 1.49 C ATOM 678 O LYS A 50 39.643 -27.013 4.655 1.00 1.46 O ATOM 679 CB LYS A 50 41.563 -29.418 5.776 1.00 1.79 C ATOM 680 CG LYS A 50 42.929 -29.492 6.444 1.00 2.13 C ATOM 681 CD LYS A 50 44.027 -28.935 5.548 1.00 2.64 C ATOM 682 CE LYS A 50 43.956 -27.417 5.447 1.00 3.07 C ATOM 683 NZ LYS A 50 44.318 -26.754 6.731 1.00 3.17 N ATOM 0 H LYS A 50 40.397 -29.737 7.930 1.00 1.76 H new ATOM 0 HA LYS A 50 41.231 -27.454 6.574 1.00 1.67 H new ATOM 0 HB2 LYS A 50 41.076 -30.390 5.856 1.00 1.79 H new ATOM 0 HB3 LYS A 50 41.698 -29.216 4.714 1.00 1.79 H new ATOM 0 HG2 LYS A 50 42.906 -28.935 7.381 1.00 2.13 H new ATOM 0 HG3 LYS A 50 43.155 -30.528 6.695 1.00 2.13 H new ATOM 0 HD2 LYS A 50 45.001 -29.228 5.940 1.00 2.64 H new ATOM 0 HD3 LYS A 50 43.940 -29.370 4.553 1.00 2.64 H new ATOM 0 HE2 LYS A 50 44.628 -27.074 4.660 1.00 3.07 H new ATOM 0 HE3 LYS A 50 42.948 -27.120 5.157 1.00 3.07 H new ATOM 0 HZ1 LYS A 50 44.852 -25.883 6.534 1.00 3.17 H new ATOM 0 HZ2 LYS A 50 43.452 -26.518 7.256 1.00 3.17 H new ATOM 0 HZ3 LYS A 50 44.904 -27.397 7.301 1.00 3.17 H new ATOM 697 N ARG A 51 38.485 -28.801 5.379 1.00 1.50 N ATOM 698 CA ARG A 51 37.356 -28.566 4.489 1.00 1.50 C ATOM 699 C ARG A 51 36.737 -27.204 4.781 1.00 1.38 C ATOM 700 O ARG A 51 36.542 -26.391 3.878 1.00 1.27 O ATOM 701 CB ARG A 51 36.310 -29.678 4.656 1.00 1.77 C ATOM 702 CG ARG A 51 36.330 -30.722 3.545 1.00 2.17 C ATOM 703 CD ARG A 51 36.037 -30.116 2.177 1.00 2.52 C ATOM 704 NE ARG A 51 34.884 -29.216 2.203 1.00 2.87 N ATOM 705 CZ ARG A 51 34.004 -29.099 1.209 1.00 3.47 C ATOM 706 NH1 ARG A 51 34.128 -29.831 0.108 1.00 4.13 N ATOM 707 NH2 ARG A 51 32.994 -28.248 1.318 1.00 3.79 N ATOM 0 H ARG A 51 38.387 -29.620 5.979 1.00 1.50 H new ATOM 0 HA ARG A 51 37.709 -28.575 3.458 1.00 1.50 H new ATOM 0 HB2 ARG A 51 36.474 -30.176 5.611 1.00 1.77 H new ATOM 0 HB3 ARG A 51 35.319 -29.227 4.698 1.00 1.77 H new ATOM 0 HG2 ARG A 51 37.305 -31.208 3.523 1.00 2.17 H new ATOM 0 HG3 ARG A 51 35.593 -31.495 3.763 1.00 2.17 H new ATOM 0 HD2 ARG A 51 36.914 -29.570 1.829 1.00 2.52 H new ATOM 0 HD3 ARG A 51 35.854 -30.916 1.459 1.00 2.52 H new ATOM 0 HE ARG A 51 34.745 -28.642 3.034 1.00 2.87 H new ATOM 0 HH11 ARG A 51 34.902 -30.490 0.018 1.00 4.13 H new ATOM 0 HH12 ARG A 51 33.450 -29.735 -0.648 1.00 4.13 H new ATOM 0 HH21 ARG A 51 32.891 -27.684 2.162 1.00 3.79 H new ATOM 0 HH22 ARG A 51 32.319 -28.157 0.558 1.00 3.79 H new ATOM 721 N LEU A 52 36.450 -26.958 6.056 1.00 1.51 N ATOM 722 CA LEU A 52 35.870 -25.690 6.481 1.00 1.55 C ATOM 723 C LEU A 52 36.812 -24.542 6.147 1.00 1.33 C ATOM 724 O LEU A 52 36.388 -23.502 5.650 1.00 1.22 O ATOM 725 CB LEU A 52 35.573 -25.709 7.983 1.00 1.88 C ATOM 726 CG LEU A 52 34.169 -26.194 8.356 1.00 2.21 C ATOM 727 CD1 LEU A 52 34.107 -26.572 9.832 1.00 2.90 C ATOM 728 CD2 LEU A 52 33.129 -25.129 8.024 1.00 2.58 C ATOM 0 H LEU A 52 36.610 -27.622 6.813 1.00 1.51 H new ATOM 0 HA LEU A 52 34.932 -25.544 5.945 1.00 1.55 H new ATOM 0 HB2 LEU A 52 36.305 -26.349 8.475 1.00 1.88 H new ATOM 0 HB3 LEU A 52 35.711 -24.703 8.379 1.00 1.88 H new ATOM 0 HG LEU A 52 33.944 -27.084 7.768 1.00 2.21 H new ATOM 0 HD11 LEU A 52 33.102 -26.914 10.078 1.00 2.90 H new ATOM 0 HD12 LEU A 52 34.821 -27.370 10.033 1.00 2.90 H new ATOM 0 HD13 LEU A 52 34.353 -25.702 10.441 1.00 2.90 H new ATOM 0 HD21 LEU A 52 32.138 -25.491 8.296 1.00 2.58 H new ATOM 0 HD22 LEU A 52 33.349 -24.219 8.583 1.00 2.58 H new ATOM 0 HD23 LEU A 52 33.156 -24.914 6.956 1.00 2.58 H new ATOM 740 N GLU A 53 38.095 -24.743 6.417 1.00 1.38 N ATOM 741 CA GLU A 53 39.105 -23.734 6.139 1.00 1.39 C ATOM 742 C GLU A 53 39.071 -23.337 4.669 1.00 1.16 C ATOM 743 O GLU A 53 39.077 -22.152 4.338 1.00 1.13 O ATOM 744 CB GLU A 53 40.492 -24.262 6.520 1.00 1.66 C ATOM 745 CG GLU A 53 40.893 -23.948 7.955 1.00 2.20 C ATOM 746 CD GLU A 53 41.128 -25.198 8.784 1.00 2.62 C ATOM 747 OE1 GLU A 53 41.969 -26.028 8.381 1.00 3.17 O ATOM 748 OE2 GLU A 53 40.471 -25.346 9.836 1.00 3.08 O ATOM 0 H GLU A 53 38.461 -25.601 6.830 1.00 1.38 H new ATOM 0 HA GLU A 53 38.890 -22.848 6.737 1.00 1.39 H new ATOM 0 HB2 GLU A 53 40.513 -25.342 6.374 1.00 1.66 H new ATOM 0 HB3 GLU A 53 41.232 -23.835 5.843 1.00 1.66 H new ATOM 0 HG2 GLU A 53 41.800 -23.344 7.951 1.00 2.20 H new ATOM 0 HG3 GLU A 53 40.113 -23.348 8.423 1.00 2.20 H new ATOM 755 N ALA A 54 39.014 -24.334 3.789 1.00 1.13 N ATOM 756 CA ALA A 54 38.954 -24.075 2.357 1.00 1.16 C ATOM 757 C ALA A 54 37.675 -23.322 2.023 1.00 0.99 C ATOM 758 O ALA A 54 37.689 -22.347 1.269 1.00 1.03 O ATOM 759 CB ALA A 54 39.029 -25.379 1.576 1.00 1.35 C ATOM 0 H ALA A 54 39.008 -25.322 4.042 1.00 1.13 H new ATOM 0 HA ALA A 54 39.808 -23.461 2.072 1.00 1.16 H new ATOM 0 HB1 ALA A 54 38.983 -25.167 0.508 1.00 1.35 H new ATOM 0 HB2 ALA A 54 39.966 -25.887 1.805 1.00 1.35 H new ATOM 0 HB3 ALA A 54 38.192 -26.019 1.855 1.00 1.35 H new ATOM 765 N GLU A 55 36.570 -23.776 2.608 1.00 0.99 N ATOM 766 CA GLU A 55 35.274 -23.150 2.397 1.00 1.06 C ATOM 767 C GLU A 55 35.333 -21.664 2.735 1.00 0.88 C ATOM 768 O GLU A 55 34.975 -20.821 1.916 1.00 0.90 O ATOM 769 CB GLU A 55 34.203 -23.825 3.264 1.00 1.35 C ATOM 770 CG GLU A 55 33.789 -25.208 2.781 1.00 1.84 C ATOM 771 CD GLU A 55 33.911 -25.364 1.273 1.00 1.93 C ATOM 772 OE1 GLU A 55 34.966 -24.991 0.716 1.00 2.60 O ATOM 773 OE2 GLU A 55 32.954 -25.864 0.649 1.00 2.20 O ATOM 0 H GLU A 55 36.550 -24.580 3.235 1.00 0.99 H new ATOM 0 HA GLU A 55 35.013 -23.268 1.345 1.00 1.06 H new ATOM 0 HB2 GLU A 55 34.576 -23.906 4.285 1.00 1.35 H new ATOM 0 HB3 GLU A 55 33.321 -23.185 3.296 1.00 1.35 H new ATOM 0 HG2 GLU A 55 34.408 -25.960 3.271 1.00 1.84 H new ATOM 0 HG3 GLU A 55 32.758 -25.399 3.080 1.00 1.84 H new ATOM 780 N LEU A 56 35.772 -21.360 3.956 1.00 0.90 N ATOM 781 CA LEU A 56 35.865 -19.984 4.435 1.00 0.98 C ATOM 782 C LEU A 56 36.820 -19.145 3.596 1.00 0.91 C ATOM 783 O LEU A 56 36.544 -17.981 3.305 1.00 0.99 O ATOM 784 CB LEU A 56 36.307 -19.978 5.901 1.00 1.26 C ATOM 785 CG LEU A 56 36.385 -18.595 6.562 1.00 2.02 C ATOM 786 CD1 LEU A 56 35.038 -18.210 7.158 1.00 2.67 C ATOM 787 CD2 LEU A 56 37.471 -18.572 7.630 1.00 2.55 C ATOM 0 H LEU A 56 36.072 -22.058 4.637 1.00 0.90 H new ATOM 0 HA LEU A 56 34.876 -19.534 4.344 1.00 0.98 H new ATOM 0 HB2 LEU A 56 35.616 -20.596 6.473 1.00 1.26 H new ATOM 0 HB3 LEU A 56 37.287 -20.450 5.969 1.00 1.26 H new ATOM 0 HG LEU A 56 36.642 -17.863 5.797 1.00 2.02 H new ATOM 0 HD11 LEU A 56 35.113 -17.227 7.622 1.00 2.67 H new ATOM 0 HD12 LEU A 56 34.286 -18.183 6.370 1.00 2.67 H new ATOM 0 HD13 LEU A 56 34.749 -18.945 7.910 1.00 2.67 H new ATOM 0 HD21 LEU A 56 37.511 -17.583 8.087 1.00 2.55 H new ATOM 0 HD22 LEU A 56 37.246 -19.316 8.394 1.00 2.55 H new ATOM 0 HD23 LEU A 56 38.434 -18.800 7.174 1.00 2.55 H new ATOM 799 N ALA A 57 37.949 -19.730 3.226 1.00 0.92 N ATOM 800 CA ALA A 57 38.950 -19.028 2.434 1.00 1.14 C ATOM 801 C ALA A 57 38.327 -18.365 1.209 1.00 1.08 C ATOM 802 O ALA A 57 38.524 -17.175 0.965 1.00 1.22 O ATOM 803 CB ALA A 57 40.046 -19.991 2.017 1.00 1.37 C ATOM 0 H ALA A 57 38.196 -20.691 3.462 1.00 0.92 H new ATOM 0 HA ALA A 57 39.381 -18.240 3.051 1.00 1.14 H new ATOM 0 HB1 ALA A 57 40.791 -19.460 1.425 1.00 1.37 H new ATOM 0 HB2 ALA A 57 40.519 -20.410 2.905 1.00 1.37 H new ATOM 0 HB3 ALA A 57 39.616 -20.796 1.421 1.00 1.37 H new ATOM 809 N ALA A 58 37.588 -19.149 0.435 1.00 1.03 N ATOM 810 CA ALA A 58 36.944 -18.649 -0.775 1.00 1.19 C ATOM 811 C ALA A 58 35.650 -17.903 -0.469 1.00 1.03 C ATOM 812 O ALA A 58 35.268 -16.993 -1.201 1.00 1.17 O ATOM 813 CB ALA A 58 36.666 -19.807 -1.719 1.00 1.43 C ATOM 0 H ALA A 58 37.419 -20.137 0.623 1.00 1.03 H new ATOM 0 HA ALA A 58 37.624 -17.940 -1.246 1.00 1.19 H new ATOM 0 HB1 ALA A 58 36.185 -19.432 -2.623 1.00 1.43 H new ATOM 0 HB2 ALA A 58 37.604 -20.295 -1.983 1.00 1.43 H new ATOM 0 HB3 ALA A 58 36.009 -20.526 -1.229 1.00 1.43 H new ATOM 819 N HIS A 59 34.963 -18.304 0.597 1.00 0.87 N ATOM 820 CA HIS A 59 33.703 -17.687 0.962 1.00 0.90 C ATOM 821 C HIS A 59 33.864 -16.251 1.434 1.00 0.80 C ATOM 822 O HIS A 59 32.938 -15.459 1.319 1.00 0.89 O ATOM 823 CB HIS A 59 32.993 -18.521 2.021 1.00 1.13 C ATOM 824 CG HIS A 59 31.855 -19.292 1.446 1.00 1.46 C ATOM 825 ND1 HIS A 59 31.742 -19.594 0.107 1.00 2.16 N ATOM 826 CD2 HIS A 59 30.740 -19.771 2.036 1.00 1.68 C ATOM 827 CE1 HIS A 59 30.580 -20.224 -0.073 1.00 2.61 C ATOM 828 NE2 HIS A 59 29.932 -20.358 1.068 1.00 2.36 N ATOM 0 H HIS A 59 35.262 -19.054 1.220 1.00 0.87 H new ATOM 0 HA HIS A 59 33.093 -17.653 0.059 1.00 0.90 H new ATOM 0 HB2 HIS A 59 33.704 -19.209 2.479 1.00 1.13 H new ATOM 0 HB3 HIS A 59 32.626 -17.868 2.813 1.00 1.13 H new ATOM 0 HD2 HIS A 59 30.512 -19.709 3.090 1.00 1.68 H new ATOM 0 HE1 HIS A 59 30.218 -20.578 -1.027 1.00 2.61 H new ATOM 0 HE2 HIS A 59 29.025 -20.801 1.211 1.00 2.36 H new ATOM 836 N GLU A 60 35.024 -15.892 1.956 1.00 0.87 N ATOM 837 CA GLU A 60 35.201 -14.521 2.398 1.00 1.09 C ATOM 838 C GLU A 60 35.076 -13.590 1.193 1.00 1.11 C ATOM 839 O GLU A 60 34.149 -12.786 1.124 1.00 1.12 O ATOM 840 CB GLU A 60 36.540 -14.336 3.123 1.00 1.39 C ATOM 841 CG GLU A 60 36.395 -14.123 4.626 1.00 1.92 C ATOM 842 CD GLU A 60 35.251 -14.923 5.230 1.00 2.39 C ATOM 843 OE1 GLU A 60 35.166 -16.139 4.957 1.00 3.01 O ATOM 844 OE2 GLU A 60 34.442 -14.331 5.976 1.00 2.70 O ATOM 0 H GLU A 60 35.830 -16.505 2.081 1.00 0.87 H new ATOM 0 HA GLU A 60 34.423 -14.271 3.119 1.00 1.09 H new ATOM 0 HB2 GLU A 60 37.163 -15.213 2.947 1.00 1.39 H new ATOM 0 HB3 GLU A 60 37.062 -13.482 2.692 1.00 1.39 H new ATOM 0 HG2 GLU A 60 37.326 -14.402 5.119 1.00 1.92 H new ATOM 0 HG3 GLU A 60 36.235 -13.063 4.824 1.00 1.92 H new ATOM 851 N PRO A 61 35.979 -13.708 0.203 1.00 1.23 N ATOM 852 CA PRO A 61 35.922 -12.881 -1.007 1.00 1.42 C ATOM 853 C PRO A 61 34.654 -13.122 -1.825 1.00 1.32 C ATOM 854 O PRO A 61 34.104 -12.195 -2.417 1.00 1.44 O ATOM 855 CB PRO A 61 37.154 -13.329 -1.811 1.00 1.60 C ATOM 856 CG PRO A 61 38.039 -14.004 -0.822 1.00 1.59 C ATOM 857 CD PRO A 61 37.116 -14.647 0.169 1.00 1.29 C ATOM 0 HA PRO A 61 35.911 -11.819 -0.762 1.00 1.42 H new ATOM 0 HB2 PRO A 61 36.873 -14.008 -2.616 1.00 1.60 H new ATOM 0 HB3 PRO A 61 37.655 -12.478 -2.272 1.00 1.60 H new ATOM 0 HG2 PRO A 61 38.674 -14.746 -1.306 1.00 1.59 H new ATOM 0 HG3 PRO A 61 38.701 -13.288 -0.335 1.00 1.59 H new ATOM 0 HD2 PRO A 61 36.810 -15.644 -0.149 1.00 1.29 H new ATOM 0 HD3 PRO A 61 37.583 -14.754 1.148 1.00 1.29 H new ATOM 865 N ALA A 62 34.205 -14.375 -1.863 1.00 1.18 N ATOM 866 CA ALA A 62 33.013 -14.747 -2.633 1.00 1.22 C ATOM 867 C ALA A 62 31.718 -14.279 -1.974 1.00 1.00 C ATOM 868 O ALA A 62 30.893 -13.619 -2.606 1.00 1.06 O ATOM 869 CB ALA A 62 32.972 -16.255 -2.851 1.00 1.31 C ATOM 0 H ALA A 62 34.646 -15.152 -1.371 1.00 1.18 H new ATOM 0 HA ALA A 62 33.087 -14.240 -3.595 1.00 1.22 H new ATOM 0 HB1 ALA A 62 32.082 -16.516 -3.424 1.00 1.31 H new ATOM 0 HB2 ALA A 62 33.861 -16.568 -3.399 1.00 1.31 H new ATOM 0 HB3 ALA A 62 32.944 -16.761 -1.886 1.00 1.31 H new ATOM 875 N ILE A 63 31.530 -14.650 -0.713 1.00 0.82 N ATOM 876 CA ILE A 63 30.323 -14.281 0.022 1.00 0.73 C ATOM 877 C ILE A 63 30.229 -12.765 0.187 1.00 0.73 C ATOM 878 O ILE A 63 29.183 -12.174 -0.075 1.00 0.73 O ATOM 879 CB ILE A 63 30.259 -14.968 1.411 1.00 0.79 C ATOM 880 CG1 ILE A 63 30.480 -16.489 1.285 1.00 1.08 C ATOM 881 CG2 ILE A 63 28.933 -14.675 2.101 1.00 0.96 C ATOM 882 CD1 ILE A 63 29.221 -17.289 1.031 1.00 0.67 C ATOM 0 H ILE A 63 32.197 -15.206 -0.177 1.00 0.82 H new ATOM 0 HA ILE A 63 29.473 -14.629 -0.565 1.00 0.73 H new ATOM 0 HB ILE A 63 31.061 -14.558 2.024 1.00 0.79 H new ATOM 0 HG12 ILE A 63 31.183 -16.675 0.473 1.00 1.08 H new ATOM 0 HG13 ILE A 63 30.947 -16.852 2.200 1.00 1.08 H new ATOM 0 HG21 ILE A 63 28.912 -15.168 3.073 1.00 0.96 H new ATOM 0 HG22 ILE A 63 28.824 -13.599 2.237 1.00 0.96 H new ATOM 0 HG23 ILE A 63 28.113 -15.048 1.487 1.00 0.96 H new ATOM 0 HD11 ILE A 63 29.471 -18.347 0.956 1.00 0.67 H new ATOM 0 HD12 ILE A 63 28.522 -17.138 1.854 1.00 0.67 H new ATOM 0 HD13 ILE A 63 28.762 -16.958 0.100 1.00 0.67 H new ATOM 894 N GLN A 64 31.325 -12.128 0.596 1.00 0.83 N ATOM 895 CA GLN A 64 31.327 -10.676 0.759 1.00 0.95 C ATOM 896 C GLN A 64 30.979 -10.009 -0.566 1.00 0.95 C ATOM 897 O GLN A 64 30.113 -9.140 -0.624 1.00 0.92 O ATOM 898 CB GLN A 64 32.691 -10.185 1.261 1.00 1.17 C ATOM 899 CG GLN A 64 32.632 -8.854 2.001 1.00 1.62 C ATOM 900 CD GLN A 64 32.097 -7.722 1.144 1.00 2.58 C ATOM 901 OE1 GLN A 64 31.122 -7.063 1.506 1.00 3.24 O ATOM 902 NE2 GLN A 64 32.735 -7.488 0.004 1.00 3.27 N ATOM 0 H GLN A 64 32.209 -12.586 0.817 1.00 0.83 H new ATOM 0 HA GLN A 64 30.577 -10.408 1.503 1.00 0.95 H new ATOM 0 HB2 GLN A 64 33.117 -10.939 1.923 1.00 1.17 H new ATOM 0 HB3 GLN A 64 33.367 -10.088 0.411 1.00 1.17 H new ATOM 0 HG2 GLN A 64 32.002 -8.963 2.884 1.00 1.62 H new ATOM 0 HG3 GLN A 64 33.631 -8.595 2.352 1.00 1.62 H new ATOM 0 HE21 GLN A 64 33.539 -8.059 -0.257 1.00 3.27 H new ATOM 0 HE22 GLN A 64 32.421 -6.737 -0.611 1.00 3.27 H new ATOM 911 N GLY A 65 31.656 -10.430 -1.631 1.00 1.05 N ATOM 912 CA GLY A 65 31.402 -9.877 -2.945 1.00 1.14 C ATOM 913 C GLY A 65 29.922 -9.816 -3.276 1.00 0.94 C ATOM 914 O GLY A 65 29.411 -8.757 -3.642 1.00 0.94 O ATOM 0 H GLY A 65 32.379 -11.149 -1.604 1.00 1.05 H new ATOM 0 HA2 GLY A 65 31.825 -8.874 -3.001 1.00 1.14 H new ATOM 0 HA3 GLY A 65 31.914 -10.481 -3.694 1.00 1.14 H new ATOM 918 N VAL A 66 29.220 -10.944 -3.144 1.00 0.83 N ATOM 919 CA VAL A 66 27.791 -10.967 -3.444 1.00 0.72 C ATOM 920 C VAL A 66 27.047 -9.988 -2.546 1.00 0.59 C ATOM 921 O VAL A 66 26.246 -9.180 -3.015 1.00 0.56 O ATOM 922 CB VAL A 66 27.178 -12.387 -3.312 1.00 0.77 C ATOM 923 CG1 VAL A 66 26.601 -12.634 -1.923 1.00 1.22 C ATOM 924 CG2 VAL A 66 26.109 -12.604 -4.372 1.00 1.46 C ATOM 0 H VAL A 66 29.610 -11.835 -2.838 1.00 0.83 H new ATOM 0 HA VAL A 66 27.679 -10.664 -4.485 1.00 0.72 H new ATOM 0 HB VAL A 66 27.985 -13.104 -3.464 1.00 0.77 H new ATOM 0 HG11 VAL A 66 26.183 -13.640 -1.876 1.00 1.22 H new ATOM 0 HG12 VAL A 66 27.390 -12.534 -1.178 1.00 1.22 H new ATOM 0 HG13 VAL A 66 25.816 -11.905 -1.720 1.00 1.22 H new ATOM 0 HG21 VAL A 66 25.689 -13.604 -4.266 1.00 1.46 H new ATOM 0 HG22 VAL A 66 25.319 -11.864 -4.249 1.00 1.46 H new ATOM 0 HG23 VAL A 66 26.552 -12.500 -5.362 1.00 1.46 H new ATOM 934 N LEU A 67 27.338 -10.052 -1.251 1.00 0.58 N ATOM 935 CA LEU A 67 26.715 -9.168 -0.276 1.00 0.62 C ATOM 936 C LEU A 67 26.884 -7.703 -0.674 1.00 0.69 C ATOM 937 O LEU A 67 25.913 -6.947 -0.707 1.00 0.71 O ATOM 938 CB LEU A 67 27.316 -9.415 1.111 1.00 0.74 C ATOM 939 CG LEU A 67 26.503 -10.351 2.013 1.00 1.29 C ATOM 940 CD1 LEU A 67 27.423 -11.126 2.945 1.00 2.13 C ATOM 941 CD2 LEU A 67 25.469 -9.565 2.807 1.00 1.90 C ATOM 0 H LEU A 67 28.006 -10.712 -0.852 1.00 0.58 H new ATOM 0 HA LEU A 67 25.648 -9.387 -0.248 1.00 0.62 H new ATOM 0 HB2 LEU A 67 28.316 -9.831 0.988 1.00 0.74 H new ATOM 0 HB3 LEU A 67 27.430 -8.456 1.617 1.00 0.74 H new ATOM 0 HG LEU A 67 25.976 -11.066 1.381 1.00 1.29 H new ATOM 0 HD11 LEU A 67 26.829 -11.785 3.578 1.00 2.13 H new ATOM 0 HD12 LEU A 67 28.121 -11.721 2.356 1.00 2.13 H new ATOM 0 HD13 LEU A 67 27.980 -10.428 3.570 1.00 2.13 H new ATOM 0 HD21 LEU A 67 24.902 -10.247 3.441 1.00 1.90 H new ATOM 0 HD22 LEU A 67 25.973 -8.825 3.429 1.00 1.90 H new ATOM 0 HD23 LEU A 67 24.790 -9.059 2.120 1.00 1.90 H new ATOM 953 N ASP A 68 28.117 -7.308 -0.973 1.00 0.79 N ATOM 954 CA ASP A 68 28.404 -5.933 -1.369 1.00 0.94 C ATOM 955 C ASP A 68 27.574 -5.534 -2.584 1.00 0.86 C ATOM 956 O ASP A 68 26.963 -4.465 -2.603 1.00 0.91 O ATOM 957 CB ASP A 68 29.894 -5.757 -1.673 1.00 1.12 C ATOM 958 CG ASP A 68 30.318 -4.303 -1.621 1.00 1.55 C ATOM 959 OD1 ASP A 68 30.177 -3.605 -2.647 1.00 2.24 O ATOM 960 OD2 ASP A 68 30.778 -3.856 -0.549 1.00 2.04 O ATOM 0 H ASP A 68 28.933 -7.919 -0.949 1.00 0.79 H new ATOM 0 HA ASP A 68 28.137 -5.283 -0.536 1.00 0.94 H new ATOM 0 HB2 ASP A 68 30.480 -6.331 -0.956 1.00 1.12 H new ATOM 0 HB3 ASP A 68 30.113 -6.163 -2.661 1.00 1.12 H new ATOM 965 N THR A 69 27.555 -6.397 -3.598 1.00 0.80 N ATOM 966 CA THR A 69 26.789 -6.125 -4.809 1.00 0.80 C ATOM 967 C THR A 69 25.311 -5.946 -4.466 1.00 0.67 C ATOM 968 O THR A 69 24.698 -4.945 -4.837 1.00 0.73 O ATOM 969 CB THR A 69 26.975 -7.253 -5.829 1.00 0.86 C ATOM 970 OG1 THR A 69 28.345 -7.590 -5.954 1.00 1.02 O ATOM 971 CG2 THR A 69 26.469 -6.902 -7.214 1.00 0.94 C ATOM 0 H THR A 69 28.058 -7.284 -3.604 1.00 0.80 H new ATOM 0 HA THR A 69 27.157 -5.201 -5.255 1.00 0.80 H new ATOM 0 HB THR A 69 26.389 -8.088 -5.444 1.00 0.86 H new ATOM 0 HG1 THR A 69 28.620 -8.131 -5.185 1.00 1.02 H new ATOM 0 HG21 THR A 69 26.632 -7.745 -7.885 1.00 0.94 H new ATOM 0 HG22 THR A 69 25.404 -6.677 -7.166 1.00 0.94 H new ATOM 0 HG23 THR A 69 27.007 -6.031 -7.588 1.00 0.94 H new ATOM 979 N GLY A 70 24.746 -6.909 -3.735 1.00 0.57 N ATOM 980 CA GLY A 70 23.349 -6.817 -3.349 1.00 0.59 C ATOM 981 C GLY A 70 23.054 -5.519 -2.622 1.00 0.69 C ATOM 982 O GLY A 70 22.048 -4.859 -2.891 1.00 0.79 O ATOM 0 H GLY A 70 25.229 -7.745 -3.406 1.00 0.57 H new ATOM 0 HA2 GLY A 70 22.720 -6.888 -4.237 1.00 0.59 H new ATOM 0 HA3 GLY A 70 23.092 -7.660 -2.708 1.00 0.59 H new ATOM 986 N LYS A 71 23.942 -5.146 -1.700 1.00 0.76 N ATOM 987 CA LYS A 71 23.783 -3.914 -0.937 1.00 0.94 C ATOM 988 C LYS A 71 23.560 -2.741 -1.883 1.00 0.99 C ATOM 989 O LYS A 71 22.650 -1.936 -1.685 1.00 1.12 O ATOM 990 CB LYS A 71 25.016 -3.674 -0.054 1.00 1.05 C ATOM 991 CG LYS A 71 25.249 -2.213 0.310 1.00 1.35 C ATOM 992 CD LYS A 71 26.520 -2.035 1.130 1.00 1.91 C ATOM 993 CE LYS A 71 27.690 -1.578 0.269 1.00 2.53 C ATOM 994 NZ LYS A 71 28.238 -2.683 -0.565 1.00 3.25 N ATOM 0 H LYS A 71 24.778 -5.681 -1.466 1.00 0.76 H new ATOM 0 HA LYS A 71 22.911 -4.006 -0.289 1.00 0.94 H new ATOM 0 HB2 LYS A 71 24.910 -4.253 0.863 1.00 1.05 H new ATOM 0 HB3 LYS A 71 25.898 -4.053 -0.570 1.00 1.05 H new ATOM 0 HG2 LYS A 71 25.316 -1.617 -0.600 1.00 1.35 H new ATOM 0 HG3 LYS A 71 24.396 -1.838 0.875 1.00 1.35 H new ATOM 0 HD2 LYS A 71 26.343 -1.305 1.920 1.00 1.91 H new ATOM 0 HD3 LYS A 71 26.773 -2.977 1.617 1.00 1.91 H new ATOM 0 HE2 LYS A 71 27.366 -0.763 -0.378 1.00 2.53 H new ATOM 0 HE3 LYS A 71 28.478 -1.183 0.910 1.00 2.53 H new ATOM 0 HZ1 LYS A 71 29.032 -2.327 -1.134 1.00 3.25 H new ATOM 0 HZ2 LYS A 71 28.571 -3.451 0.052 1.00 3.25 H new ATOM 0 HZ3 LYS A 71 27.494 -3.044 -1.196 1.00 3.25 H new ATOM 1008 N LYS A 72 24.385 -2.666 -2.926 1.00 0.95 N ATOM 1009 CA LYS A 72 24.264 -1.602 -3.915 1.00 1.08 C ATOM 1010 C LYS A 72 22.857 -1.583 -4.496 1.00 1.06 C ATOM 1011 O LYS A 72 22.153 -0.585 -4.401 1.00 1.26 O ATOM 1012 CB LYS A 72 25.298 -1.784 -5.032 1.00 1.14 C ATOM 1013 CG LYS A 72 26.638 -1.131 -4.732 1.00 1.49 C ATOM 1014 CD LYS A 72 27.610 -1.277 -5.895 1.00 2.07 C ATOM 1015 CE LYS A 72 28.098 -2.710 -6.050 1.00 2.89 C ATOM 1016 NZ LYS A 72 28.561 -3.287 -4.758 1.00 3.71 N ATOM 0 H LYS A 72 25.141 -3.327 -3.106 1.00 0.95 H new ATOM 0 HA LYS A 72 24.454 -0.648 -3.423 1.00 1.08 H new ATOM 0 HB2 LYS A 72 25.452 -2.849 -5.203 1.00 1.14 H new ATOM 0 HB3 LYS A 72 24.899 -1.367 -5.957 1.00 1.14 H new ATOM 0 HG2 LYS A 72 26.487 -0.074 -4.515 1.00 1.49 H new ATOM 0 HG3 LYS A 72 27.070 -1.581 -3.838 1.00 1.49 H new ATOM 0 HD2 LYS A 72 27.124 -0.957 -6.817 1.00 2.07 H new ATOM 0 HD3 LYS A 72 28.464 -0.617 -5.740 1.00 2.07 H new ATOM 0 HE2 LYS A 72 27.293 -3.325 -6.453 1.00 2.89 H new ATOM 0 HE3 LYS A 72 28.914 -2.739 -6.772 1.00 2.89 H new ATOM 0 HZ1 LYS A 72 29.140 -4.131 -4.942 1.00 3.71 H new ATOM 0 HZ2 LYS A 72 29.129 -2.582 -4.247 1.00 3.71 H new ATOM 0 HZ3 LYS A 72 27.737 -3.552 -4.181 1.00 3.71 H new ATOM 1030 N LEU A 73 22.447 -2.701 -5.081 1.00 0.89 N ATOM 1031 CA LEU A 73 21.111 -2.818 -5.663 1.00 0.98 C ATOM 1032 C LEU A 73 20.049 -2.244 -4.720 1.00 1.14 C ATOM 1033 O LEU A 73 19.080 -1.627 -5.160 1.00 1.32 O ATOM 1034 CB LEU A 73 20.792 -4.287 -5.963 1.00 0.97 C ATOM 1035 CG LEU A 73 21.350 -4.829 -7.285 1.00 0.92 C ATOM 1036 CD1 LEU A 73 22.871 -4.795 -7.286 1.00 1.52 C ATOM 1037 CD2 LEU A 73 20.849 -6.246 -7.526 1.00 0.96 C ATOM 0 H LEU A 73 23.019 -3.541 -5.166 1.00 0.89 H new ATOM 0 HA LEU A 73 21.097 -2.247 -6.591 1.00 0.98 H new ATOM 0 HB2 LEU A 73 21.179 -4.898 -5.148 1.00 0.97 H new ATOM 0 HB3 LEU A 73 19.709 -4.412 -5.968 1.00 0.97 H new ATOM 0 HG LEU A 73 20.997 -4.190 -8.094 1.00 0.92 H new ATOM 0 HD11 LEU A 73 23.243 -5.184 -8.234 1.00 1.52 H new ATOM 0 HD12 LEU A 73 23.212 -3.768 -7.157 1.00 1.52 H new ATOM 0 HD13 LEU A 73 23.249 -5.409 -6.468 1.00 1.52 H new ATOM 0 HD21 LEU A 73 21.252 -6.619 -8.467 1.00 0.96 H new ATOM 0 HD22 LEU A 73 21.176 -6.891 -6.710 1.00 0.96 H new ATOM 0 HD23 LEU A 73 19.760 -6.244 -7.573 1.00 0.96 H new ATOM 1049 N SER A 74 20.235 -2.481 -3.425 1.00 1.13 N ATOM 1050 CA SER A 74 19.295 -2.025 -2.401 1.00 1.36 C ATOM 1051 C SER A 74 19.155 -0.500 -2.341 1.00 1.52 C ATOM 1052 O SER A 74 18.086 0.005 -1.999 1.00 1.76 O ATOM 1053 CB SER A 74 19.729 -2.549 -1.029 1.00 1.37 C ATOM 1054 OG SER A 74 18.607 -2.819 -0.205 1.00 1.67 O ATOM 0 H SER A 74 21.037 -2.992 -3.055 1.00 1.13 H new ATOM 0 HA SER A 74 18.319 -2.424 -2.676 1.00 1.36 H new ATOM 0 HB2 SER A 74 20.319 -3.457 -1.154 1.00 1.37 H new ATOM 0 HB3 SER A 74 20.372 -1.815 -0.543 1.00 1.37 H new ATOM 0 HG SER A 74 18.912 -3.154 0.664 1.00 1.67 H new ATOM 1060 N ASP A 75 20.231 0.233 -2.637 1.00 1.47 N ATOM 1061 CA ASP A 75 20.193 1.697 -2.569 1.00 1.71 C ATOM 1062 C ASP A 75 19.013 2.286 -3.348 1.00 1.86 C ATOM 1063 O ASP A 75 18.568 3.391 -3.038 1.00 2.14 O ATOM 1064 CB ASP A 75 21.527 2.321 -3.029 1.00 1.72 C ATOM 1065 CG ASP A 75 21.838 2.118 -4.504 1.00 1.79 C ATOM 1066 OD1 ASP A 75 20.923 2.263 -5.337 1.00 2.34 O ATOM 1067 OD2 ASP A 75 23.011 1.832 -4.827 1.00 2.15 O ATOM 0 H ASP A 75 21.129 -0.156 -2.923 1.00 1.47 H new ATOM 0 HA ASP A 75 20.045 1.955 -1.520 1.00 1.71 H new ATOM 0 HB2 ASP A 75 21.506 3.390 -2.818 1.00 1.72 H new ATOM 0 HB3 ASP A 75 22.337 1.895 -2.437 1.00 1.72 H new ATOM 1072 N ASP A 76 18.507 1.538 -4.340 1.00 1.77 N ATOM 1073 CA ASP A 76 17.364 1.969 -5.164 1.00 2.01 C ATOM 1074 C ASP A 76 17.511 1.473 -6.599 1.00 1.98 C ATOM 1075 O ASP A 76 16.527 1.120 -7.249 1.00 2.28 O ATOM 1076 CB ASP A 76 17.209 3.499 -5.175 1.00 2.20 C ATOM 1077 CG ASP A 76 17.866 4.160 -3.976 1.00 2.36 C ATOM 1078 OD1 ASP A 76 19.110 4.107 -3.878 1.00 2.64 O ATOM 1079 OD2 ASP A 76 17.136 4.726 -3.136 1.00 2.89 O ATOM 0 H ASP A 76 18.875 0.621 -4.594 1.00 1.77 H new ATOM 0 HA ASP A 76 16.472 1.533 -4.714 1.00 2.01 H new ATOM 0 HB2 ASP A 76 17.646 3.898 -6.090 1.00 2.20 H new ATOM 0 HB3 ASP A 76 16.149 3.753 -5.190 1.00 2.20 H new ATOM 1084 N ASN A 77 18.745 1.473 -7.090 1.00 1.87 N ATOM 1085 CA ASN A 77 19.032 1.043 -8.455 1.00 2.13 C ATOM 1086 C ASN A 77 18.535 -0.381 -8.706 1.00 1.92 C ATOM 1087 O ASN A 77 18.462 -1.194 -7.786 1.00 2.30 O ATOM 1088 CB ASN A 77 20.536 1.136 -8.734 1.00 3.00 C ATOM 1089 CG ASN A 77 21.303 -0.062 -8.205 1.00 3.68 C ATOM 1090 OD1 ASN A 77 21.338 -1.117 -8.837 1.00 3.93 O ATOM 1091 ND2 ASN A 77 21.925 0.097 -7.044 1.00 4.42 N ATOM 0 H ASN A 77 19.566 1.767 -6.561 1.00 1.87 H new ATOM 0 HA ASN A 77 18.501 1.709 -9.135 1.00 2.13 H new ATOM 0 HB2 ASN A 77 20.698 1.221 -9.809 1.00 3.00 H new ATOM 0 HB3 ASN A 77 20.931 2.045 -8.280 1.00 3.00 H new ATOM 0 HD21 ASN A 77 22.459 -0.673 -6.642 1.00 4.42 H new ATOM 0 HD22 ASN A 77 21.869 0.990 -6.554 1.00 4.42 H new ATOM 1098 N THR A 78 18.207 -0.667 -9.967 1.00 2.42 N ATOM 1099 CA THR A 78 17.721 -1.988 -10.370 1.00 3.13 C ATOM 1100 C THR A 78 16.381 -2.318 -9.713 1.00 3.07 C ATOM 1101 O THR A 78 16.312 -2.579 -8.511 1.00 3.33 O ATOM 1102 CB THR A 78 18.753 -3.069 -10.025 1.00 4.02 C ATOM 1103 OG1 THR A 78 19.990 -2.801 -10.661 1.00 4.29 O ATOM 1104 CG2 THR A 78 18.322 -4.464 -10.430 1.00 4.87 C ATOM 0 H THR A 78 18.270 0.004 -10.732 1.00 2.42 H new ATOM 0 HA THR A 78 17.572 -1.967 -11.450 1.00 3.13 H new ATOM 0 HB THR A 78 18.850 -3.038 -8.940 1.00 4.02 H new ATOM 0 HG1 THR A 78 20.530 -2.214 -10.092 1.00 4.29 H new ATOM 0 HG21 THR A 78 19.098 -5.178 -10.157 1.00 4.87 H new ATOM 0 HG22 THR A 78 17.395 -4.722 -9.918 1.00 4.87 H new ATOM 0 HG23 THR A 78 18.162 -4.497 -11.508 1.00 4.87 H new ATOM 1112 N ILE A 79 15.318 -2.319 -10.516 1.00 3.06 N ATOM 1113 CA ILE A 79 13.982 -2.634 -10.017 1.00 3.21 C ATOM 1114 C ILE A 79 13.935 -4.062 -9.482 1.00 2.90 C ATOM 1115 O ILE A 79 14.613 -4.950 -10.001 1.00 3.08 O ATOM 1116 CB ILE A 79 12.908 -2.471 -11.115 1.00 3.81 C ATOM 1117 CG1 ILE A 79 13.037 -1.105 -11.800 1.00 4.11 C ATOM 1118 CG2 ILE A 79 11.513 -2.645 -10.527 1.00 4.49 C ATOM 1119 CD1 ILE A 79 12.891 0.070 -10.855 1.00 4.56 C ATOM 0 H ILE A 79 15.357 -2.106 -11.513 1.00 3.06 H new ATOM 0 HA ILE A 79 13.766 -1.930 -9.213 1.00 3.21 H new ATOM 0 HB ILE A 79 13.065 -3.246 -11.866 1.00 3.81 H new ATOM 0 HG12 ILE A 79 14.008 -1.046 -12.291 1.00 4.11 H new ATOM 0 HG13 ILE A 79 12.280 -1.028 -12.580 1.00 4.11 H new ATOM 0 HG21 ILE A 79 10.769 -2.527 -11.315 1.00 4.49 H new ATOM 0 HG22 ILE A 79 11.424 -3.639 -10.090 1.00 4.49 H new ATOM 0 HG23 ILE A 79 11.347 -1.893 -9.755 1.00 4.49 H new ATOM 0 HD11 ILE A 79 12.994 1.001 -11.413 1.00 4.56 H new ATOM 0 HD12 ILE A 79 11.909 0.037 -10.383 1.00 4.56 H new ATOM 0 HD13 ILE A 79 13.664 0.019 -10.089 1.00 4.56 H new ATOM 1131 N GLY A 80 13.137 -4.276 -8.440 1.00 2.87 N ATOM 1132 CA GLY A 80 13.025 -5.597 -7.848 1.00 2.77 C ATOM 1133 C GLY A 80 14.014 -5.795 -6.718 1.00 2.49 C ATOM 1134 O GLY A 80 14.031 -6.847 -6.075 1.00 2.38 O ATOM 0 H GLY A 80 12.566 -3.558 -7.995 1.00 2.87 H new ATOM 0 HA2 GLY A 80 12.012 -5.742 -7.473 1.00 2.77 H new ATOM 0 HA3 GLY A 80 13.193 -6.354 -8.614 1.00 2.77 H new ATOM 1138 N LYS A 81 14.837 -4.775 -6.477 1.00 2.47 N ATOM 1139 CA LYS A 81 15.842 -4.822 -5.418 1.00 2.30 C ATOM 1140 C LYS A 81 15.279 -5.447 -4.144 1.00 2.13 C ATOM 1141 O LYS A 81 15.922 -6.287 -3.530 1.00 1.92 O ATOM 1142 CB LYS A 81 16.374 -3.418 -5.124 1.00 2.45 C ATOM 1143 CG LYS A 81 15.292 -2.419 -4.740 1.00 2.98 C ATOM 1144 CD LYS A 81 15.539 -1.056 -5.364 1.00 3.54 C ATOM 1145 CE LYS A 81 14.347 -0.129 -5.175 1.00 4.27 C ATOM 1146 NZ LYS A 81 13.077 -0.749 -5.650 1.00 4.40 N ATOM 0 H LYS A 81 14.826 -3.902 -7.005 1.00 2.47 H new ATOM 0 HA LYS A 81 16.663 -5.448 -5.767 1.00 2.30 H new ATOM 0 HB2 LYS A 81 17.103 -3.478 -4.316 1.00 2.45 H new ATOM 0 HB3 LYS A 81 16.902 -3.048 -6.003 1.00 2.45 H new ATOM 0 HG2 LYS A 81 14.320 -2.795 -5.059 1.00 2.98 H new ATOM 0 HG3 LYS A 81 15.255 -2.321 -3.655 1.00 2.98 H new ATOM 0 HD2 LYS A 81 16.425 -0.606 -4.917 1.00 3.54 H new ATOM 0 HD3 LYS A 81 15.744 -1.174 -6.428 1.00 3.54 H new ATOM 0 HE2 LYS A 81 14.252 0.129 -4.120 1.00 4.27 H new ATOM 0 HE3 LYS A 81 14.521 0.801 -5.716 1.00 4.27 H new ATOM 0 HZ1 LYS A 81 12.465 -0.016 -6.062 1.00 4.40 H new ATOM 0 HZ2 LYS A 81 13.290 -1.468 -6.371 1.00 4.40 H new ATOM 0 HZ3 LYS A 81 12.588 -1.197 -4.849 1.00 4.40 H new ATOM 1160 N GLU A 82 14.076 -5.036 -3.757 1.00 2.24 N ATOM 1161 CA GLU A 82 13.428 -5.562 -2.558 1.00 2.14 C ATOM 1162 C GLU A 82 13.396 -7.089 -2.580 1.00 1.94 C ATOM 1163 O GLU A 82 13.912 -7.743 -1.671 1.00 1.76 O ATOM 1164 CB GLU A 82 12.006 -5.005 -2.438 1.00 2.37 C ATOM 1165 CG GLU A 82 11.915 -3.503 -2.673 1.00 2.74 C ATOM 1166 CD GLU A 82 12.361 -2.687 -1.473 1.00 2.68 C ATOM 1167 OE1 GLU A 82 11.716 -2.792 -0.408 1.00 3.00 O ATOM 1168 OE2 GLU A 82 13.351 -1.937 -1.597 1.00 2.89 O ATOM 0 H GLU A 82 13.527 -4.337 -4.258 1.00 2.24 H new ATOM 0 HA GLU A 82 14.007 -5.246 -1.691 1.00 2.14 H new ATOM 0 HB2 GLU A 82 11.364 -5.516 -3.155 1.00 2.37 H new ATOM 0 HB3 GLU A 82 11.619 -5.233 -1.445 1.00 2.37 H new ATOM 0 HG2 GLU A 82 12.528 -3.238 -3.534 1.00 2.74 H new ATOM 0 HG3 GLU A 82 10.886 -3.241 -2.921 1.00 2.74 H new ATOM 1175 N GLU A 83 12.793 -7.657 -3.622 1.00 2.03 N ATOM 1176 CA GLU A 83 12.710 -9.108 -3.757 1.00 1.94 C ATOM 1177 C GLU A 83 14.104 -9.719 -3.643 1.00 1.73 C ATOM 1178 O GLU A 83 14.317 -10.684 -2.907 1.00 1.57 O ATOM 1179 CB GLU A 83 12.044 -9.483 -5.093 1.00 2.17 C ATOM 1180 CG GLU A 83 12.854 -10.433 -5.971 1.00 2.39 C ATOM 1181 CD GLU A 83 13.242 -9.827 -7.309 1.00 2.51 C ATOM 1182 OE1 GLU A 83 13.611 -8.632 -7.338 1.00 2.93 O ATOM 1183 OE2 GLU A 83 13.177 -10.547 -8.328 1.00 2.94 O ATOM 0 H GLU A 83 12.356 -7.136 -4.382 1.00 2.03 H new ATOM 0 HA GLU A 83 12.093 -9.510 -2.953 1.00 1.94 H new ATOM 0 HB2 GLU A 83 11.077 -9.940 -4.884 1.00 2.17 H new ATOM 0 HB3 GLU A 83 11.850 -8.569 -5.655 1.00 2.17 H new ATOM 0 HG2 GLU A 83 13.757 -10.729 -5.438 1.00 2.39 H new ATOM 0 HG3 GLU A 83 12.275 -11.340 -6.144 1.00 2.39 H new ATOM 1190 N ILE A 84 15.054 -9.133 -4.362 1.00 1.75 N ATOM 1191 CA ILE A 84 16.433 -9.603 -4.333 1.00 1.60 C ATOM 1192 C ILE A 84 16.964 -9.587 -2.904 1.00 1.38 C ATOM 1193 O ILE A 84 17.569 -10.551 -2.443 1.00 1.22 O ATOM 1194 CB ILE A 84 17.343 -8.736 -5.230 1.00 1.73 C ATOM 1195 CG1 ILE A 84 16.808 -8.710 -6.666 1.00 2.03 C ATOM 1196 CG2 ILE A 84 18.775 -9.254 -5.199 1.00 1.57 C ATOM 1197 CD1 ILE A 84 16.742 -10.076 -7.319 1.00 2.47 C ATOM 0 H ILE A 84 14.894 -8.331 -4.972 1.00 1.75 H new ATOM 0 HA ILE A 84 16.443 -10.623 -4.717 1.00 1.60 H new ATOM 0 HB ILE A 84 17.341 -7.717 -4.843 1.00 1.73 H new ATOM 0 HG12 ILE A 84 15.811 -8.270 -6.664 1.00 2.03 H new ATOM 0 HG13 ILE A 84 17.442 -8.060 -7.268 1.00 2.03 H new ATOM 0 HG21 ILE A 84 19.401 -8.630 -5.837 1.00 1.57 H new ATOM 0 HG22 ILE A 84 19.152 -9.221 -4.177 1.00 1.57 H new ATOM 0 HG23 ILE A 84 18.798 -10.282 -5.561 1.00 1.57 H new ATOM 0 HD11 ILE A 84 16.354 -9.976 -8.333 1.00 2.47 H new ATOM 0 HD12 ILE A 84 17.741 -10.511 -7.354 1.00 2.47 H new ATOM 0 HD13 ILE A 84 16.084 -10.724 -6.741 1.00 2.47 H new ATOM 1209 N GLN A 85 16.716 -8.482 -2.208 1.00 1.45 N ATOM 1210 CA GLN A 85 17.146 -8.320 -0.827 1.00 1.35 C ATOM 1211 C GLN A 85 16.673 -9.494 0.018 1.00 1.19 C ATOM 1212 O GLN A 85 17.434 -10.045 0.811 1.00 1.05 O ATOM 1213 CB GLN A 85 16.604 -7.003 -0.261 1.00 1.56 C ATOM 1214 CG GLN A 85 17.687 -5.981 0.044 1.00 1.77 C ATOM 1215 CD GLN A 85 18.403 -5.499 -1.204 1.00 2.36 C ATOM 1216 OE1 GLN A 85 17.813 -4.835 -2.055 1.00 2.80 O ATOM 1217 NE2 GLN A 85 19.682 -5.836 -1.320 1.00 3.13 N ATOM 0 H GLN A 85 16.214 -7.678 -2.585 1.00 1.45 H new ATOM 0 HA GLN A 85 18.235 -8.293 -0.799 1.00 1.35 H new ATOM 0 HB2 GLN A 85 15.901 -6.573 -0.974 1.00 1.56 H new ATOM 0 HB3 GLN A 85 16.046 -7.212 0.652 1.00 1.56 H new ATOM 0 HG2 GLN A 85 17.242 -5.127 0.556 1.00 1.77 H new ATOM 0 HG3 GLN A 85 18.413 -6.420 0.728 1.00 1.77 H new ATOM 0 HE21 GLN A 85 20.132 -6.388 -0.590 1.00 3.13 H new ATOM 0 HE22 GLN A 85 20.214 -5.543 -2.139 1.00 3.13 H new ATOM 1226 N GLN A 86 15.415 -9.884 -0.170 1.00 1.26 N ATOM 1227 CA GLN A 86 14.849 -11.009 0.562 1.00 1.18 C ATOM 1228 C GLN A 86 15.653 -12.273 0.272 1.00 1.03 C ATOM 1229 O GLN A 86 16.117 -12.950 1.189 1.00 0.90 O ATOM 1230 CB GLN A 86 13.382 -11.222 0.177 1.00 1.37 C ATOM 1231 CG GLN A 86 12.575 -11.973 1.227 1.00 1.47 C ATOM 1232 CD GLN A 86 12.985 -13.428 1.365 1.00 2.31 C ATOM 1233 OE1 GLN A 86 13.177 -13.928 2.473 1.00 2.90 O ATOM 1234 NE2 GLN A 86 13.120 -14.118 0.238 1.00 3.09 N ATOM 0 H GLN A 86 14.771 -9.437 -0.822 1.00 1.26 H new ATOM 0 HA GLN A 86 14.897 -10.789 1.628 1.00 1.18 H new ATOM 0 HB2 GLN A 86 12.918 -10.252 0.000 1.00 1.37 H new ATOM 0 HB3 GLN A 86 13.339 -11.772 -0.763 1.00 1.37 H new ATOM 0 HG2 GLN A 86 12.691 -11.476 2.190 1.00 1.47 H new ATOM 0 HG3 GLN A 86 11.517 -11.923 0.968 1.00 1.47 H new ATOM 0 HE21 GLN A 86 12.951 -13.665 -0.660 1.00 3.09 H new ATOM 0 HE22 GLN A 86 13.392 -15.100 0.271 1.00 3.09 H new ATOM 1243 N ARG A 87 15.818 -12.574 -1.014 1.00 1.11 N ATOM 1244 CA ARG A 87 16.572 -13.749 -1.440 1.00 1.09 C ATOM 1245 C ARG A 87 17.981 -13.727 -0.851 1.00 0.91 C ATOM 1246 O ARG A 87 18.458 -14.726 -0.311 1.00 0.87 O ATOM 1247 CB ARG A 87 16.640 -13.814 -2.970 1.00 1.29 C ATOM 1248 CG ARG A 87 16.473 -15.223 -3.527 1.00 1.78 C ATOM 1249 CD ARG A 87 17.166 -15.385 -4.872 1.00 2.22 C ATOM 1250 NE ARG A 87 18.057 -16.546 -4.894 1.00 2.81 N ATOM 1251 CZ ARG A 87 18.800 -16.888 -5.943 1.00 3.73 C ATOM 1252 NH1 ARG A 87 18.777 -16.157 -7.048 1.00 4.43 N ATOM 1253 NH2 ARG A 87 19.573 -17.961 -5.888 1.00 4.21 N ATOM 0 H ARG A 87 15.438 -12.018 -1.780 1.00 1.11 H new ATOM 0 HA ARG A 87 16.057 -14.637 -1.074 1.00 1.09 H new ATOM 0 HB2 ARG A 87 15.864 -13.172 -3.388 1.00 1.29 H new ATOM 0 HB3 ARG A 87 17.598 -13.412 -3.301 1.00 1.29 H new ATOM 0 HG2 ARG A 87 16.881 -15.944 -2.819 1.00 1.78 H new ATOM 0 HG3 ARG A 87 15.412 -15.448 -3.635 1.00 1.78 H new ATOM 0 HD2 ARG A 87 16.416 -15.489 -5.656 1.00 2.22 H new ATOM 0 HD3 ARG A 87 17.738 -14.485 -5.096 1.00 2.22 H new ATOM 0 HE ARG A 87 18.111 -17.126 -4.057 1.00 2.81 H new ATOM 0 HH11 ARG A 87 18.187 -15.326 -7.098 1.00 4.43 H new ATOM 0 HH12 ARG A 87 19.349 -16.425 -7.849 1.00 4.43 H new ATOM 0 HH21 ARG A 87 19.600 -18.527 -5.040 1.00 4.21 H new ATOM 0 HH22 ARG A 87 20.142 -18.222 -6.694 1.00 4.21 H new ATOM 1267 N LEU A 88 18.645 -12.579 -0.962 1.00 0.87 N ATOM 1268 CA LEU A 88 19.994 -12.419 -0.437 1.00 0.78 C ATOM 1269 C LEU A 88 20.014 -12.714 1.056 1.00 0.71 C ATOM 1270 O LEU A 88 20.875 -13.445 1.547 1.00 0.67 O ATOM 1271 CB LEU A 88 20.501 -10.998 -0.700 1.00 0.86 C ATOM 1272 CG LEU A 88 21.998 -10.783 -0.446 1.00 1.04 C ATOM 1273 CD1 LEU A 88 22.813 -11.259 -1.640 1.00 1.15 C ATOM 1274 CD2 LEU A 88 22.286 -9.318 -0.142 1.00 1.90 C ATOM 0 H LEU A 88 18.268 -11.745 -1.412 1.00 0.87 H new ATOM 0 HA LEU A 88 20.652 -13.125 -0.944 1.00 0.78 H new ATOM 0 HB2 LEU A 88 20.283 -10.737 -1.736 1.00 0.86 H new ATOM 0 HB3 LEU A 88 19.939 -10.307 -0.072 1.00 0.86 H new ATOM 0 HG LEU A 88 22.290 -11.372 0.424 1.00 1.04 H new ATOM 0 HD11 LEU A 88 23.873 -11.099 -1.444 1.00 1.15 H new ATOM 0 HD12 LEU A 88 22.630 -12.321 -1.805 1.00 1.15 H new ATOM 0 HD13 LEU A 88 22.520 -10.698 -2.527 1.00 1.15 H new ATOM 0 HD21 LEU A 88 23.353 -9.186 0.035 1.00 1.90 H new ATOM 0 HD22 LEU A 88 21.980 -8.704 -0.989 1.00 1.90 H new ATOM 0 HD23 LEU A 88 21.731 -9.015 0.745 1.00 1.90 H new ATOM 1286 N ALA A 89 19.046 -12.148 1.774 1.00 0.77 N ATOM 1287 CA ALA A 89 18.935 -12.356 3.211 1.00 0.81 C ATOM 1288 C ALA A 89 18.758 -13.837 3.516 1.00 0.74 C ATOM 1289 O ALA A 89 19.219 -14.332 4.544 1.00 0.77 O ATOM 1290 CB ALA A 89 17.774 -11.552 3.778 1.00 0.97 C ATOM 0 H ALA A 89 18.327 -11.541 1.380 1.00 0.77 H new ATOM 0 HA ALA A 89 19.854 -12.011 3.685 1.00 0.81 H new ATOM 0 HB1 ALA A 89 17.706 -11.720 4.853 1.00 0.97 H new ATOM 0 HB2 ALA A 89 17.937 -10.492 3.586 1.00 0.97 H new ATOM 0 HB3 ALA A 89 16.846 -11.868 3.302 1.00 0.97 H new ATOM 1296 N GLN A 90 18.095 -14.537 2.599 1.00 0.73 N ATOM 1297 CA GLN A 90 17.861 -15.966 2.748 1.00 0.79 C ATOM 1298 C GLN A 90 19.183 -16.718 2.676 1.00 0.73 C ATOM 1299 O GLN A 90 19.466 -17.583 3.505 1.00 0.79 O ATOM 1300 CB GLN A 90 16.907 -16.469 1.659 1.00 0.90 C ATOM 1301 CG GLN A 90 15.752 -17.298 2.197 1.00 1.35 C ATOM 1302 CD GLN A 90 14.942 -17.944 1.092 1.00 1.96 C ATOM 1303 OE1 GLN A 90 14.036 -17.328 0.531 1.00 2.38 O ATOM 1304 NE2 GLN A 90 15.272 -19.188 0.770 1.00 2.72 N ATOM 0 H GLN A 90 17.711 -14.135 1.744 1.00 0.73 H new ATOM 0 HA GLN A 90 17.402 -16.146 3.720 1.00 0.79 H new ATOM 0 HB2 GLN A 90 16.507 -15.613 1.115 1.00 0.90 H new ATOM 0 HB3 GLN A 90 17.470 -17.067 0.943 1.00 0.90 H new ATOM 0 HG2 GLN A 90 16.141 -18.072 2.859 1.00 1.35 H new ATOM 0 HG3 GLN A 90 15.101 -16.663 2.797 1.00 1.35 H new ATOM 0 HE21 GLN A 90 16.031 -19.658 1.263 1.00 2.72 H new ATOM 0 HE22 GLN A 90 14.767 -19.674 0.029 1.00 2.72 H new ATOM 1313 N PHE A 91 19.997 -16.381 1.675 1.00 0.66 N ATOM 1314 CA PHE A 91 21.293 -17.025 1.506 1.00 0.67 C ATOM 1315 C PHE A 91 22.095 -16.913 2.795 1.00 0.67 C ATOM 1316 O PHE A 91 22.641 -17.899 3.286 1.00 0.74 O ATOM 1317 CB PHE A 91 22.071 -16.404 0.340 1.00 0.65 C ATOM 1318 CG PHE A 91 23.489 -16.886 0.253 1.00 0.66 C ATOM 1319 CD1 PHE A 91 24.451 -16.424 1.138 1.00 1.03 C ATOM 1320 CD2 PHE A 91 23.857 -17.813 -0.706 1.00 0.93 C ATOM 1321 CE1 PHE A 91 25.751 -16.881 1.066 1.00 1.19 C ATOM 1322 CE2 PHE A 91 25.155 -18.270 -0.784 1.00 0.92 C ATOM 1323 CZ PHE A 91 26.103 -17.803 0.103 1.00 0.90 C ATOM 0 H PHE A 91 19.781 -15.671 0.975 1.00 0.66 H new ATOM 0 HA PHE A 91 21.127 -18.077 1.275 1.00 0.67 H new ATOM 0 HB2 PHE A 91 21.558 -16.634 -0.594 1.00 0.65 H new ATOM 0 HB3 PHE A 91 22.069 -15.319 0.447 1.00 0.65 H new ATOM 0 HD1 PHE A 91 24.180 -15.699 1.891 1.00 1.03 H new ATOM 0 HD2 PHE A 91 23.118 -18.183 -1.402 1.00 0.93 H new ATOM 0 HE1 PHE A 91 26.492 -16.517 1.763 1.00 1.19 H new ATOM 0 HE2 PHE A 91 25.430 -18.993 -1.538 1.00 0.92 H new ATOM 0 HZ PHE A 91 27.121 -18.160 0.043 1.00 0.90 H new ATOM 1333 N VAL A 92 22.145 -15.706 3.355 1.00 0.64 N ATOM 1334 CA VAL A 92 22.869 -15.480 4.598 1.00 0.72 C ATOM 1335 C VAL A 92 22.391 -16.458 5.662 1.00 0.77 C ATOM 1336 O VAL A 92 23.189 -17.183 6.256 1.00 0.86 O ATOM 1337 CB VAL A 92 22.692 -14.037 5.115 1.00 0.77 C ATOM 1338 CG1 VAL A 92 23.567 -13.793 6.338 1.00 0.86 C ATOM 1339 CG2 VAL A 92 23.007 -13.031 4.018 1.00 1.37 C ATOM 0 H VAL A 92 21.695 -14.876 2.969 1.00 0.64 H new ATOM 0 HA VAL A 92 23.928 -15.637 4.392 1.00 0.72 H new ATOM 0 HB VAL A 92 21.651 -13.905 5.409 1.00 0.77 H new ATOM 0 HG11 VAL A 92 23.427 -12.770 6.687 1.00 0.86 H new ATOM 0 HG12 VAL A 92 23.287 -14.488 7.130 1.00 0.86 H new ATOM 0 HG13 VAL A 92 24.613 -13.947 6.073 1.00 0.86 H new ATOM 0 HG21 VAL A 92 22.876 -12.020 4.403 1.00 1.37 H new ATOM 0 HG22 VAL A 92 24.037 -13.163 3.688 1.00 1.37 H new ATOM 0 HG23 VAL A 92 22.333 -13.188 3.176 1.00 1.37 H new ATOM 1349 N ASP A 93 21.076 -16.496 5.877 1.00 0.77 N ATOM 1350 CA ASP A 93 20.491 -17.411 6.851 1.00 0.86 C ATOM 1351 C ASP A 93 21.000 -18.823 6.593 1.00 0.91 C ATOM 1352 O ASP A 93 21.495 -19.495 7.496 1.00 1.00 O ATOM 1353 CB ASP A 93 18.959 -17.374 6.786 1.00 0.90 C ATOM 1354 CG ASP A 93 18.330 -18.691 7.204 1.00 1.10 C ATOM 1355 OD1 ASP A 93 18.308 -18.980 8.420 1.00 1.55 O ATOM 1356 OD2 ASP A 93 17.869 -19.439 6.315 1.00 1.71 O ATOM 0 H ASP A 93 20.400 -15.906 5.391 1.00 0.77 H new ATOM 0 HA ASP A 93 20.791 -17.097 7.851 1.00 0.86 H new ATOM 0 HB2 ASP A 93 18.590 -16.577 7.432 1.00 0.90 H new ATOM 0 HB3 ASP A 93 18.647 -17.132 5.770 1.00 0.90 H new ATOM 1361 N HIS A 94 20.896 -19.256 5.339 1.00 0.89 N ATOM 1362 CA HIS A 94 21.359 -20.580 4.944 1.00 0.98 C ATOM 1363 C HIS A 94 22.794 -20.794 5.412 1.00 1.00 C ATOM 1364 O HIS A 94 23.075 -21.720 6.168 1.00 1.12 O ATOM 1365 CB HIS A 94 21.293 -20.748 3.424 1.00 1.00 C ATOM 1366 CG HIS A 94 19.941 -20.498 2.824 1.00 1.35 C ATOM 1367 ND1 HIS A 94 19.742 -20.129 1.510 1.00 2.17 N ATOM 1368 CD2 HIS A 94 18.702 -20.584 3.377 1.00 1.73 C ATOM 1369 CE1 HIS A 94 18.424 -20.006 1.311 1.00 2.46 C ATOM 1370 NE2 HIS A 94 17.747 -20.272 2.411 1.00 2.14 N ATOM 0 H HIS A 94 20.494 -18.707 4.579 1.00 0.89 H new ATOM 0 HA HIS A 94 20.707 -21.319 5.410 1.00 0.98 H new ATOM 0 HB2 HIS A 94 22.010 -20.068 2.965 1.00 1.00 H new ATOM 0 HB3 HIS A 94 21.607 -21.761 3.170 1.00 1.00 H new ATOM 0 HD1 HIS A 94 20.471 -19.977 0.813 1.00 2.17 H new ATOM 0 HD2 HIS A 94 18.491 -20.852 4.402 1.00 1.73 H new ATOM 0 HE1 HIS A 94 17.973 -19.725 0.371 1.00 2.46 H new ATOM 1378 N TRP A 95 23.696 -19.919 4.964 1.00 0.93 N ATOM 1379 CA TRP A 95 25.101 -20.016 5.341 1.00 1.00 C ATOM 1380 C TRP A 95 25.251 -20.098 6.851 1.00 1.06 C ATOM 1381 O TRP A 95 26.030 -20.895 7.362 1.00 1.16 O ATOM 1382 CB TRP A 95 25.900 -18.827 4.812 1.00 0.97 C ATOM 1383 CG TRP A 95 27.379 -19.054 4.887 1.00 1.09 C ATOM 1384 CD1 TRP A 95 28.033 -20.209 4.596 1.00 2.01 C ATOM 1385 CD2 TRP A 95 28.383 -18.117 5.289 1.00 1.04 C ATOM 1386 NE1 TRP A 95 29.378 -20.053 4.791 1.00 1.88 N ATOM 1387 CE2 TRP A 95 29.619 -18.775 5.210 1.00 1.04 C ATOM 1388 CE3 TRP A 95 28.357 -16.788 5.702 1.00 2.03 C ATOM 1389 CZ2 TRP A 95 30.817 -18.151 5.530 1.00 1.13 C ATOM 1390 CZ3 TRP A 95 29.547 -16.163 6.023 1.00 2.64 C ATOM 1391 CH2 TRP A 95 30.765 -16.845 5.934 1.00 2.05 C ATOM 0 H TRP A 95 23.477 -19.140 4.343 1.00 0.93 H new ATOM 0 HA TRP A 95 25.495 -20.928 4.893 1.00 1.00 H new ATOM 0 HB2 TRP A 95 25.617 -18.634 3.777 1.00 0.97 H new ATOM 0 HB3 TRP A 95 25.642 -17.936 5.385 1.00 0.97 H new ATOM 0 HD1 TRP A 95 27.559 -21.119 4.259 1.00 2.01 H new ATOM 0 HE1 TRP A 95 30.086 -20.773 4.647 1.00 1.88 H new ATOM 0 HE3 TRP A 95 27.421 -16.253 5.771 1.00 2.03 H new ATOM 0 HZ2 TRP A 95 31.757 -18.678 5.462 1.00 1.13 H new ATOM 0 HZ3 TRP A 95 29.536 -15.133 6.347 1.00 2.64 H new ATOM 0 HH2 TRP A 95 31.680 -16.332 6.189 1.00 2.05 H new ATOM 1402 N LYS A 96 24.502 -19.264 7.558 1.00 1.03 N ATOM 1403 CA LYS A 96 24.548 -19.248 9.012 1.00 1.12 C ATOM 1404 C LYS A 96 24.322 -20.650 9.568 1.00 1.21 C ATOM 1405 O LYS A 96 25.111 -21.144 10.374 1.00 1.32 O ATOM 1406 CB LYS A 96 23.500 -18.274 9.564 1.00 1.12 C ATOM 1407 CG LYS A 96 23.466 -18.191 11.085 1.00 1.49 C ATOM 1408 CD LYS A 96 22.405 -19.110 11.682 1.00 1.83 C ATOM 1409 CE LYS A 96 21.006 -18.759 11.191 1.00 2.36 C ATOM 1410 NZ LYS A 96 20.492 -19.760 10.215 1.00 2.86 N ATOM 0 H LYS A 96 23.856 -18.590 7.148 1.00 1.03 H new ATOM 0 HA LYS A 96 25.536 -18.910 9.326 1.00 1.12 H new ATOM 0 HB2 LYS A 96 23.696 -17.280 9.161 1.00 1.12 H new ATOM 0 HB3 LYS A 96 22.516 -18.575 9.205 1.00 1.12 H new ATOM 0 HG2 LYS A 96 24.444 -18.458 11.485 1.00 1.49 H new ATOM 0 HG3 LYS A 96 23.268 -17.163 11.388 1.00 1.49 H new ATOM 0 HD2 LYS A 96 22.632 -20.144 11.421 1.00 1.83 H new ATOM 0 HD3 LYS A 96 22.436 -19.041 12.769 1.00 1.83 H new ATOM 0 HE2 LYS A 96 20.327 -18.700 12.042 1.00 2.36 H new ATOM 0 HE3 LYS A 96 21.021 -17.773 10.726 1.00 2.36 H new ATOM 0 HZ1 LYS A 96 19.452 -19.763 10.236 1.00 2.86 H new ATOM 0 HZ2 LYS A 96 20.818 -19.512 9.259 1.00 2.86 H new ATOM 0 HZ3 LYS A 96 20.847 -20.705 10.467 1.00 2.86 H new ATOM 1424 N GLU A 97 23.245 -21.293 9.124 1.00 1.20 N ATOM 1425 CA GLU A 97 22.930 -22.643 9.578 1.00 1.32 C ATOM 1426 C GLU A 97 24.085 -23.591 9.272 1.00 1.36 C ATOM 1427 O GLU A 97 24.509 -24.367 10.127 1.00 1.47 O ATOM 1428 CB GLU A 97 21.639 -23.140 8.911 1.00 1.36 C ATOM 1429 CG GLU A 97 21.450 -24.651 8.966 1.00 1.86 C ATOM 1430 CD GLU A 97 20.586 -25.094 10.134 1.00 2.35 C ATOM 1431 OE1 GLU A 97 20.987 -24.859 11.294 1.00 3.03 O ATOM 1432 OE2 GLU A 97 19.510 -25.678 9.891 1.00 2.68 O ATOM 0 H GLU A 97 22.581 -20.904 8.455 1.00 1.20 H new ATOM 0 HA GLU A 97 22.779 -22.621 10.657 1.00 1.32 H new ATOM 0 HB2 GLU A 97 20.787 -22.661 9.392 1.00 1.36 H new ATOM 0 HB3 GLU A 97 21.636 -22.822 7.868 1.00 1.36 H new ATOM 0 HG2 GLU A 97 20.996 -24.990 8.035 1.00 1.86 H new ATOM 0 HG3 GLU A 97 22.425 -25.132 9.038 1.00 1.86 H new ATOM 1439 N LEU A 98 24.584 -23.525 8.043 1.00 1.31 N ATOM 1440 CA LEU A 98 25.688 -24.376 7.614 1.00 1.37 C ATOM 1441 C LEU A 98 26.901 -24.195 8.518 1.00 1.42 C ATOM 1442 O LEU A 98 27.528 -25.168 8.929 1.00 1.54 O ATOM 1443 CB LEU A 98 26.069 -24.066 6.167 1.00 1.31 C ATOM 1444 CG LEU A 98 24.925 -24.175 5.154 1.00 1.61 C ATOM 1445 CD1 LEU A 98 25.249 -23.375 3.902 1.00 2.38 C ATOM 1446 CD2 LEU A 98 24.648 -25.631 4.808 1.00 2.07 C ATOM 0 H LEU A 98 24.240 -22.889 7.324 1.00 1.31 H new ATOM 0 HA LEU A 98 25.358 -25.412 7.682 1.00 1.37 H new ATOM 0 HB2 LEU A 98 26.476 -23.056 6.124 1.00 1.31 H new ATOM 0 HB3 LEU A 98 26.867 -24.745 5.865 1.00 1.31 H new ATOM 0 HG LEU A 98 24.024 -23.759 5.605 1.00 1.61 H new ATOM 0 HD11 LEU A 98 24.427 -23.462 3.192 1.00 2.38 H new ATOM 0 HD12 LEU A 98 25.391 -22.327 4.166 1.00 2.38 H new ATOM 0 HD13 LEU A 98 26.162 -23.762 3.449 1.00 2.38 H new ATOM 0 HD21 LEU A 98 23.832 -25.685 4.087 1.00 2.07 H new ATOM 0 HD22 LEU A 98 25.543 -26.079 4.377 1.00 2.07 H new ATOM 0 HD23 LEU A 98 24.370 -26.173 5.712 1.00 2.07 H new ATOM 1458 N LYS A 99 27.227 -22.943 8.824 1.00 1.38 N ATOM 1459 CA LYS A 99 28.368 -22.638 9.678 1.00 1.47 C ATOM 1460 C LYS A 99 28.215 -23.337 11.026 1.00 1.60 C ATOM 1461 O LYS A 99 29.130 -24.024 11.486 1.00 1.74 O ATOM 1462 CB LYS A 99 28.509 -21.120 9.858 1.00 1.45 C ATOM 1463 CG LYS A 99 29.949 -20.644 10.008 1.00 1.90 C ATOM 1464 CD LYS A 99 30.176 -19.960 11.349 1.00 2.41 C ATOM 1465 CE LYS A 99 31.573 -19.364 11.447 1.00 3.14 C ATOM 1466 NZ LYS A 99 32.631 -20.412 11.418 1.00 4.07 N ATOM 0 H LYS A 99 26.717 -22.124 8.493 1.00 1.38 H new ATOM 0 HA LYS A 99 29.276 -23.007 9.202 1.00 1.47 H new ATOM 0 HB2 LYS A 99 28.059 -20.620 9.000 1.00 1.45 H new ATOM 0 HB3 LYS A 99 27.943 -20.815 10.738 1.00 1.45 H new ATOM 0 HG2 LYS A 99 30.625 -21.493 9.913 1.00 1.90 H new ATOM 0 HG3 LYS A 99 30.190 -19.953 9.201 1.00 1.90 H new ATOM 0 HD2 LYS A 99 29.434 -19.173 11.487 1.00 2.41 H new ATOM 0 HD3 LYS A 99 30.030 -20.680 12.154 1.00 2.41 H new ATOM 0 HE2 LYS A 99 31.729 -18.669 10.622 1.00 3.14 H new ATOM 0 HE3 LYS A 99 31.658 -18.789 12.369 1.00 3.14 H new ATOM 0 HZ1 LYS A 99 33.559 -19.974 11.589 1.00 4.07 H new ATOM 0 HZ2 LYS A 99 32.440 -21.118 12.157 1.00 4.07 H new ATOM 0 HZ3 LYS A 99 32.634 -20.877 10.488 1.00 4.07 H new ATOM 1480 N GLN A 100 27.045 -23.185 11.645 1.00 1.58 N ATOM 1481 CA GLN A 100 26.776 -23.830 12.928 1.00 1.72 C ATOM 1482 C GLN A 100 26.899 -25.345 12.790 1.00 1.81 C ATOM 1483 O GLN A 100 27.602 -25.996 13.565 1.00 1.95 O ATOM 1484 CB GLN A 100 25.377 -23.458 13.433 1.00 1.71 C ATOM 1485 CG GLN A 100 25.277 -22.036 13.965 1.00 1.93 C ATOM 1486 CD GLN A 100 23.933 -21.747 14.605 1.00 2.66 C ATOM 1487 OE1 GLN A 100 23.188 -20.880 14.147 1.00 3.23 O ATOM 1488 NE2 GLN A 100 23.616 -22.472 15.671 1.00 3.33 N ATOM 0 H GLN A 100 26.274 -22.625 11.282 1.00 1.58 H new ATOM 0 HA GLN A 100 27.511 -23.480 13.653 1.00 1.72 H new ATOM 0 HB2 GLN A 100 24.662 -23.584 12.620 1.00 1.71 H new ATOM 0 HB3 GLN A 100 25.088 -24.153 14.222 1.00 1.71 H new ATOM 0 HG2 GLN A 100 26.067 -21.869 14.697 1.00 1.93 H new ATOM 0 HG3 GLN A 100 25.445 -21.334 13.149 1.00 1.93 H new ATOM 0 HE21 GLN A 100 24.263 -23.180 16.017 1.00 3.33 H new ATOM 0 HE22 GLN A 100 22.725 -22.321 16.144 1.00 3.33 H new ATOM 1497 N LEU A 101 26.222 -25.896 11.786 1.00 1.77 N ATOM 1498 CA LEU A 101 26.260 -27.331 11.526 1.00 1.89 C ATOM 1499 C LEU A 101 27.702 -27.821 11.440 1.00 1.96 C ATOM 1500 O LEU A 101 28.056 -28.839 12.033 1.00 2.12 O ATOM 1501 CB LEU A 101 25.512 -27.652 10.227 1.00 1.86 C ATOM 1502 CG LEU A 101 25.733 -29.064 9.670 1.00 2.09 C ATOM 1503 CD1 LEU A 101 25.194 -30.113 10.635 1.00 2.56 C ATOM 1504 CD2 LEU A 101 25.081 -29.206 8.302 1.00 2.59 C ATOM 0 H LEU A 101 25.639 -25.368 11.137 1.00 1.77 H new ATOM 0 HA LEU A 101 25.769 -27.846 12.352 1.00 1.89 H new ATOM 0 HB2 LEU A 101 24.445 -27.511 10.398 1.00 1.86 H new ATOM 0 HB3 LEU A 101 25.811 -26.930 9.468 1.00 1.86 H new ATOM 0 HG LEU A 101 26.805 -29.225 9.557 1.00 2.09 H new ATOM 0 HD11 LEU A 101 25.361 -31.108 10.221 1.00 2.56 H new ATOM 0 HD12 LEU A 101 25.710 -30.027 11.591 1.00 2.56 H new ATOM 0 HD13 LEU A 101 24.126 -29.956 10.783 1.00 2.56 H new ATOM 0 HD21 LEU A 101 25.248 -30.214 7.922 1.00 2.59 H new ATOM 0 HD22 LEU A 101 24.010 -29.024 8.389 1.00 2.59 H new ATOM 0 HD23 LEU A 101 25.518 -28.482 7.614 1.00 2.59 H new ATOM 1516 N ALA A 102 28.531 -27.087 10.701 1.00 1.86 N ATOM 1517 CA ALA A 102 29.935 -27.443 10.542 1.00 1.95 C ATOM 1518 C ALA A 102 30.605 -27.623 11.900 1.00 2.09 C ATOM 1519 O ALA A 102 31.234 -28.649 12.161 1.00 2.24 O ATOM 1520 CB ALA A 102 30.660 -26.380 9.727 1.00 1.85 C ATOM 0 H ALA A 102 28.252 -26.242 10.203 1.00 1.86 H new ATOM 0 HA ALA A 102 29.990 -28.391 10.007 1.00 1.95 H new ATOM 0 HB1 ALA A 102 31.708 -26.659 9.616 1.00 1.85 H new ATOM 0 HB2 ALA A 102 30.200 -26.300 8.742 1.00 1.85 H new ATOM 0 HB3 ALA A 102 30.592 -25.420 10.239 1.00 1.85 H new ATOM 1526 N ALA A 103 30.463 -26.618 12.762 1.00 2.07 N ATOM 1527 CA ALA A 103 31.049 -26.667 14.095 1.00 2.24 C ATOM 1528 C ALA A 103 30.648 -27.948 14.818 1.00 2.38 C ATOM 1529 O ALA A 103 31.494 -28.649 15.377 1.00 2.56 O ATOM 1530 CB ALA A 103 30.633 -25.446 14.903 1.00 2.21 C ATOM 0 H ALA A 103 29.947 -25.762 12.559 1.00 2.07 H new ATOM 0 HA ALA A 103 32.134 -26.662 13.991 1.00 2.24 H new ATOM 0 HB1 ALA A 103 31.079 -25.498 15.896 1.00 2.21 H new ATOM 0 HB2 ALA A 103 30.975 -24.542 14.398 1.00 2.21 H new ATOM 0 HB3 ALA A 103 29.547 -25.422 14.994 1.00 2.21 H new ATOM 1536 N ALA A 104 29.352 -28.249 14.801 1.00 2.34 N ATOM 1537 CA ALA A 104 28.837 -29.450 15.453 1.00 2.50 C ATOM 1538 C ALA A 104 29.500 -30.702 14.886 1.00 2.58 C ATOM 1539 O ALA A 104 29.922 -31.588 15.631 1.00 2.74 O ATOM 1540 CB ALA A 104 27.326 -29.528 15.297 1.00 2.48 C ATOM 0 H ALA A 104 28.640 -27.679 14.344 1.00 2.34 H new ATOM 0 HA ALA A 104 29.075 -29.393 16.515 1.00 2.50 H new ATOM 0 HB1 ALA A 104 26.956 -30.428 15.788 1.00 2.48 H new ATOM 0 HB2 ALA A 104 26.867 -28.651 15.754 1.00 2.48 H new ATOM 0 HB3 ALA A 104 27.071 -29.561 14.238 1.00 2.48 H new ATOM 1546 N ARG A 105 29.590 -30.767 13.559 1.00 2.50 N ATOM 1547 CA ARG A 105 30.205 -31.907 12.889 1.00 2.60 C ATOM 1548 C ARG A 105 31.625 -32.120 13.402 1.00 2.72 C ATOM 1549 O ARG A 105 32.045 -33.252 13.644 1.00 2.88 O ATOM 1550 CB ARG A 105 30.221 -31.695 11.370 1.00 2.49 C ATOM 1551 CG ARG A 105 29.305 -32.642 10.607 1.00 2.62 C ATOM 1552 CD ARG A 105 30.029 -33.911 10.177 1.00 2.76 C ATOM 1553 NE ARG A 105 30.817 -34.491 11.265 1.00 3.19 N ATOM 1554 CZ ARG A 105 31.092 -35.789 11.374 1.00 3.86 C ATOM 1555 NH1 ARG A 105 30.646 -36.646 10.467 1.00 4.39 N ATOM 1556 NH2 ARG A 105 31.815 -36.228 12.394 1.00 4.42 N ATOM 0 H ARG A 105 29.245 -30.043 12.928 1.00 2.50 H new ATOM 0 HA ARG A 105 29.613 -32.795 13.110 1.00 2.60 H new ATOM 0 HB2 ARG A 105 29.928 -30.668 11.153 1.00 2.49 H new ATOM 0 HB3 ARG A 105 31.241 -31.819 11.006 1.00 2.49 H new ATOM 0 HG2 ARG A 105 28.453 -32.905 11.233 1.00 2.62 H new ATOM 0 HG3 ARG A 105 28.910 -32.134 9.727 1.00 2.62 H new ATOM 0 HD2 ARG A 105 29.301 -34.643 9.828 1.00 2.76 H new ATOM 0 HD3 ARG A 105 30.684 -33.687 9.335 1.00 2.76 H new ATOM 0 HE ARG A 105 31.177 -33.863 11.983 1.00 3.19 H new ATOM 0 HH11 ARG A 105 30.089 -36.312 9.680 1.00 4.39 H new ATOM 0 HH12 ARG A 105 30.860 -37.639 10.555 1.00 4.39 H new ATOM 0 HH21 ARG A 105 32.160 -35.572 13.094 1.00 4.42 H new ATOM 0 HH22 ARG A 105 32.026 -37.222 12.479 1.00 4.42 H new ATOM 1570 N GLY A 106 32.352 -31.018 13.570 1.00 2.67 N ATOM 1571 CA GLY A 106 33.716 -31.093 14.060 1.00 2.83 C ATOM 1572 C GLY A 106 33.792 -31.731 15.433 1.00 3.06 C ATOM 1573 O GLY A 106 34.673 -32.550 15.695 1.00 3.27 O ATOM 0 H GLY A 106 32.019 -30.074 13.375 1.00 2.67 H new ATOM 0 HA2 GLY A 106 34.322 -31.667 13.359 1.00 2.83 H new ATOM 0 HA3 GLY A 106 34.142 -30.090 14.102 1.00 2.83 H new ATOM 1577 N GLN A 107 32.863 -31.356 16.310 1.00 3.06 N ATOM 1578 CA GLN A 107 32.824 -31.904 17.663 1.00 3.32 C ATOM 1579 C GLN A 107 32.852 -33.427 17.618 1.00 3.48 C ATOM 1580 O GLN A 107 33.614 -34.066 18.347 1.00 3.75 O ATOM 1581 CB GLN A 107 31.573 -31.424 18.405 1.00 3.32 C ATOM 1582 CG GLN A 107 31.459 -29.910 18.499 1.00 3.59 C ATOM 1583 CD GLN A 107 30.457 -29.467 19.547 1.00 3.56 C ATOM 1584 OE1 GLN A 107 29.257 -29.398 19.285 1.00 3.65 O ATOM 1585 NE2 GLN A 107 30.947 -29.163 20.743 1.00 4.07 N ATOM 0 H GLN A 107 32.129 -30.677 16.108 1.00 3.06 H new ATOM 0 HA GLN A 107 33.704 -31.550 18.201 1.00 3.32 H new ATOM 0 HB2 GLN A 107 30.690 -31.815 17.900 1.00 3.32 H new ATOM 0 HB3 GLN A 107 31.576 -31.842 19.412 1.00 3.32 H new ATOM 0 HG2 GLN A 107 32.436 -29.489 18.735 1.00 3.59 H new ATOM 0 HG3 GLN A 107 31.166 -29.510 17.528 1.00 3.59 H new ATOM 0 HE21 GLN A 107 31.950 -29.234 20.917 1.00 4.07 H new ATOM 0 HE22 GLN A 107 30.321 -28.858 21.488 1.00 4.07 H new TER 1594 GLN A 107