USER MOD reduce.3.24.130724 H: found=0, std=0, add=796, rem=0, adj=25 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 99 LYS NZ :NH3+ 145:sc= 0.866 (180deg=0) USER MOD Set 1.2: A 100 GLN : amide:sc= -0.7! C(o=0.17!,f=-9!) USER MOD Set 2.1: A 77 ASN : amide:sc= 0.726 K(o=0.91,f=-5!) USER MOD Set 2.2: A 81 LYS NZ :NH3+ 164:sc= 0.184 (180deg=-0.943!) USER MOD Set 3.1: A 35 TYR OH : rot 180:sc= 0.177 USER MOD Set 3.2: A 47 LYS NZ :NH3+ 174:sc= 1.44 (180deg=0.211) USER MOD Set 4.1: A 27 LYS NZ :NH3+ -112:sc= 1.27 (180deg=-0.7) USER MOD Set 4.2: A 31 SER OG : rot -149:sc= 0.532 USER MOD Set 5.1: A 21 SER OG : rot -66:sc= 0.687 USER MOD Set 5.2: A 24 LYS NZ :NH3+ 136:sc= -0.701 (180deg=-1.75!) USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 GLN :FLIP amide:sc= -0.0329 F(o=-0.76,f=-0.033) USER MOD Single : A 16 MET CE :methyl -147:sc= -0.241 (180deg=-2.42) USER MOD Single : A 26 LYS NZ :NH3+ -158:sc= -1.2 (180deg=-3.44!) USER MOD Single : A 32 SER OG : rot -51:sc= -2.75! USER MOD Single : A 40 THR OG1 : rot 160:sc= -0.069 USER MOD Single : A 43 GLN :FLIP amide:sc= -0.0742 F(o=-1.1,f=-0.074) USER MOD Single : A 44 ASN : amide:sc= -1.19 K(o=-1.2,f=-4.2!) USER MOD Single : A 48 LYS NZ :NH3+ 175:sc= 0.629 (180deg=0.612) USER MOD Single : A 49 HIS : no HE2:sc= -1.68 K(o=-1.7,f=-8.6!) USER MOD Single : A 50 LYS NZ :NH3+ -153:sc= -0.0388 (180deg=-0.42) USER MOD Single : A 59 HIS : no HD1:sc= -16.3! C(o=-16!,f=-24!) USER MOD Single : A 64 GLN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 69 THR OG1 : rot 79:sc= 0.886 USER MOD Single : A 71 LYS NZ :NH3+ -138:sc= 0.407 (180deg=-3.13!) USER MOD Single : A 72 LYS NZ :NH3+ 131:sc= 0.914 (180deg=-1.03) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot -170:sc= 0.0655 USER MOD Single : A 85 GLN :FLIP amide:sc= 0 F(o=-0.73,f=0) USER MOD Single : A 86 GLN : amide:sc= -0.0126 X(o=-0.013,f=-0.0048) USER MOD Single : A 90 GLN :FLIP amide:sc= -1.27 F(o=-2,f=-1.3) USER MOD Single : A 94 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 96 LYS NZ :NH3+ 166:sc= -2.87! (180deg=-2.95!) USER MOD Single : A 107 GLN : amide:sc= -0.0251 X(o=-0.025,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 10 21.614 -8.483 -13.900 1.00 1.70 N ATOM 2 CA HIS A 10 21.926 -9.683 -14.672 1.00 1.73 C ATOM 3 C HIS A 10 23.028 -10.497 -14.003 1.00 1.58 C ATOM 4 O HIS A 10 22.833 -11.672 -13.682 1.00 1.52 O ATOM 5 CB HIS A 10 22.335 -9.309 -16.099 1.00 2.04 C ATOM 6 CG HIS A 10 22.716 -10.487 -16.942 1.00 2.54 C ATOM 7 ND1 HIS A 10 21.881 -11.554 -17.195 1.00 3.19 N ATOM 8 CD2 HIS A 10 23.876 -10.756 -17.594 1.00 3.29 C ATOM 9 CE1 HIS A 10 22.544 -12.419 -17.974 1.00 4.01 C ATOM 10 NE2 HIS A 10 23.759 -11.981 -18.245 1.00 4.11 N ATOM 0 HA HIS A 10 21.027 -10.299 -14.713 1.00 1.73 H new ATOM 0 HB2 HIS A 10 21.510 -8.782 -16.578 1.00 2.04 H new ATOM 0 HB3 HIS A 10 23.175 -8.616 -16.057 1.00 2.04 H new ATOM 0 HD2 HIS A 10 24.750 -10.121 -17.606 1.00 3.29 H new ATOM 0 HE1 HIS A 10 22.137 -13.353 -18.333 1.00 4.01 H new ATOM 0 HE2 HIS A 10 24.467 -12.445 -18.814 1.00 4.11 H new ATOM 18 N GLN A 11 24.182 -9.874 -13.790 1.00 1.60 N ATOM 19 CA GLN A 11 25.296 -10.556 -13.146 1.00 1.56 C ATOM 20 C GLN A 11 24.866 -11.055 -11.780 1.00 1.29 C ATOM 21 O GLN A 11 25.111 -12.200 -11.413 1.00 1.26 O ATOM 22 CB GLN A 11 26.501 -9.625 -12.995 1.00 1.75 C ATOM 23 CG GLN A 11 26.673 -8.647 -14.147 1.00 2.28 C ATOM 24 CD GLN A 11 27.977 -7.875 -14.070 1.00 3.08 C ATOM 25 OE1 GLN A 11 29.059 -8.567 -13.732 1.00 3.64 O flip ATOM 26 NE2 GLN A 11 28.011 -6.672 -14.315 1.00 3.73 N flip ATOM 0 H GLN A 11 24.369 -8.906 -14.052 1.00 1.60 H new ATOM 0 HA GLN A 11 25.590 -11.398 -13.773 1.00 1.56 H new ATOM 0 HB2 GLN A 11 26.399 -9.063 -12.067 1.00 1.75 H new ATOM 0 HB3 GLN A 11 27.405 -10.228 -12.905 1.00 1.75 H new ATOM 0 HG2 GLN A 11 26.633 -9.192 -15.090 1.00 2.28 H new ATOM 0 HG3 GLN A 11 25.839 -7.945 -14.150 1.00 2.28 H new ATOM 0 HE21 GLN A 11 27.155 -6.179 -14.571 1.00 3.73 H new ATOM 0 HE22 GLN A 11 28.895 -6.166 -14.263 1.00 3.73 H new ATOM 35 N PHE A 12 24.211 -10.177 -11.026 1.00 1.14 N ATOM 36 CA PHE A 12 23.744 -10.522 -9.694 1.00 0.98 C ATOM 37 C PHE A 12 23.005 -11.855 -9.713 1.00 0.94 C ATOM 38 O PHE A 12 23.204 -12.695 -8.838 1.00 0.91 O ATOM 39 CB PHE A 12 22.839 -9.418 -9.137 1.00 0.98 C ATOM 40 CG PHE A 12 22.495 -9.604 -7.687 1.00 0.86 C ATOM 41 CD1 PHE A 12 23.481 -9.889 -6.759 1.00 0.83 C ATOM 42 CD2 PHE A 12 21.185 -9.481 -7.249 1.00 0.86 C ATOM 43 CE1 PHE A 12 23.169 -10.047 -5.424 1.00 0.77 C ATOM 44 CE2 PHE A 12 20.869 -9.637 -5.915 1.00 0.82 C ATOM 45 CZ PHE A 12 21.851 -9.978 -5.011 1.00 0.76 C ATOM 0 H PHE A 12 23.994 -9.224 -11.317 1.00 1.14 H new ATOM 0 HA PHE A 12 24.613 -10.618 -9.042 1.00 0.98 H new ATOM 0 HB2 PHE A 12 23.333 -8.455 -9.265 1.00 0.98 H new ATOM 0 HB3 PHE A 12 21.918 -9.384 -9.720 1.00 0.98 H new ATOM 0 HD1 PHE A 12 24.506 -9.989 -7.083 1.00 0.83 H new ATOM 0 HD2 PHE A 12 20.403 -9.261 -7.960 1.00 0.86 H new ATOM 0 HE1 PHE A 12 23.953 -10.224 -4.703 1.00 0.77 H new ATOM 0 HE2 PHE A 12 19.853 -9.492 -5.580 1.00 0.82 H new ATOM 0 HZ PHE A 12 21.593 -10.191 -3.984 1.00 0.76 H new ATOM 55 N PHE A 13 22.158 -12.053 -10.722 1.00 1.03 N ATOM 56 CA PHE A 13 21.408 -13.298 -10.840 1.00 1.16 C ATOM 57 C PHE A 13 22.362 -14.484 -10.805 1.00 1.12 C ATOM 58 O PHE A 13 22.180 -15.419 -10.024 1.00 1.08 O ATOM 59 CB PHE A 13 20.577 -13.317 -12.129 1.00 1.42 C ATOM 60 CG PHE A 13 19.173 -13.804 -11.918 1.00 1.67 C ATOM 61 CD1 PHE A 13 18.921 -15.137 -11.642 1.00 2.16 C ATOM 62 CD2 PHE A 13 18.104 -12.928 -12.012 1.00 1.91 C ATOM 63 CE1 PHE A 13 17.628 -15.589 -11.464 1.00 2.70 C ATOM 64 CE2 PHE A 13 16.809 -13.374 -11.833 1.00 2.42 C ATOM 65 CZ PHE A 13 16.578 -14.701 -11.497 1.00 2.77 C ATOM 0 H PHE A 13 21.976 -11.374 -11.461 1.00 1.03 H new ATOM 0 HA PHE A 13 20.722 -13.369 -9.996 1.00 1.16 H new ATOM 0 HB2 PHE A 13 20.547 -12.312 -12.550 1.00 1.42 H new ATOM 0 HB3 PHE A 13 21.070 -13.955 -12.863 1.00 1.42 H new ATOM 0 HD1 PHE A 13 19.745 -15.831 -11.565 1.00 2.16 H new ATOM 0 HD2 PHE A 13 18.285 -11.885 -12.228 1.00 1.91 H new ATOM 0 HE1 PHE A 13 17.441 -16.640 -11.299 1.00 2.70 H new ATOM 0 HE2 PHE A 13 15.979 -12.693 -11.954 1.00 2.42 H new ATOM 0 HZ PHE A 13 15.578 -15.035 -11.262 1.00 2.77 H new ATOM 75 N ARG A 14 23.398 -14.427 -11.637 1.00 1.21 N ATOM 76 CA ARG A 14 24.389 -15.492 -11.672 1.00 1.30 C ATOM 77 C ARG A 14 25.060 -15.607 -10.312 1.00 1.14 C ATOM 78 O ARG A 14 25.187 -16.697 -9.769 1.00 1.12 O ATOM 79 CB ARG A 14 25.437 -15.240 -12.762 1.00 1.55 C ATOM 80 CG ARG A 14 26.485 -16.341 -12.867 1.00 1.71 C ATOM 81 CD ARG A 14 25.882 -17.655 -13.353 1.00 2.48 C ATOM 82 NE ARG A 14 25.878 -18.684 -12.314 1.00 2.80 N ATOM 83 CZ ARG A 14 26.978 -19.153 -11.726 1.00 3.53 C ATOM 84 NH1 ARG A 14 28.169 -18.672 -12.058 1.00 4.35 N ATOM 85 NH2 ARG A 14 26.885 -20.104 -10.809 1.00 3.79 N ATOM 0 H ARG A 14 23.570 -13.662 -12.289 1.00 1.21 H new ATOM 0 HA ARG A 14 23.883 -16.428 -11.908 1.00 1.30 H new ATOM 0 HB2 ARG A 14 24.932 -15.138 -13.723 1.00 1.55 H new ATOM 0 HB3 ARG A 14 25.937 -14.292 -12.562 1.00 1.55 H new ATOM 0 HG2 ARG A 14 27.273 -16.028 -13.552 1.00 1.71 H new ATOM 0 HG3 ARG A 14 26.951 -16.493 -11.893 1.00 1.71 H new ATOM 0 HD2 ARG A 14 24.861 -17.480 -13.691 1.00 2.48 H new ATOM 0 HD3 ARG A 14 26.446 -18.014 -14.214 1.00 2.48 H new ATOM 0 HE ARG A 14 24.979 -19.066 -12.022 1.00 2.80 H new ATOM 0 HH11 ARG A 14 28.245 -17.941 -12.765 1.00 4.35 H new ATOM 0 HH12 ARG A 14 29.009 -19.033 -11.606 1.00 4.35 H new ATOM 0 HH21 ARG A 14 25.971 -20.478 -10.553 1.00 3.79 H new ATOM 0 HH22 ARG A 14 27.727 -20.463 -10.359 1.00 3.79 H new ATOM 99 N ASP A 15 25.480 -14.469 -9.763 1.00 1.12 N ATOM 100 CA ASP A 15 26.132 -14.442 -8.456 1.00 1.14 C ATOM 101 C ASP A 15 25.331 -15.245 -7.435 1.00 1.00 C ATOM 102 O ASP A 15 25.883 -16.081 -6.719 1.00 1.05 O ATOM 103 CB ASP A 15 26.305 -13.002 -7.954 1.00 1.29 C ATOM 104 CG ASP A 15 26.909 -12.069 -8.989 1.00 1.49 C ATOM 105 OD1 ASP A 15 27.392 -12.557 -10.034 1.00 1.84 O ATOM 106 OD2 ASP A 15 26.911 -10.845 -8.746 1.00 2.10 O ATOM 0 H ASP A 15 25.380 -13.554 -10.203 1.00 1.12 H new ATOM 0 HA ASP A 15 27.117 -14.894 -8.572 1.00 1.14 H new ATOM 0 HB2 ASP A 15 25.334 -12.613 -7.648 1.00 1.29 H new ATOM 0 HB3 ASP A 15 26.939 -13.008 -7.068 1.00 1.29 H new ATOM 111 N MET A 16 24.023 -14.988 -7.365 1.00 0.93 N ATOM 112 CA MET A 16 23.163 -15.698 -6.423 1.00 0.98 C ATOM 113 C MET A 16 23.217 -17.201 -6.690 1.00 0.88 C ATOM 114 O MET A 16 23.481 -17.997 -5.790 1.00 0.88 O ATOM 115 CB MET A 16 21.717 -15.195 -6.521 1.00 1.15 C ATOM 116 CG MET A 16 21.362 -14.155 -5.470 1.00 1.45 C ATOM 117 SD MET A 16 19.692 -13.503 -5.672 1.00 1.92 S ATOM 118 CE MET A 16 19.794 -12.808 -7.320 1.00 2.23 C ATOM 0 H MET A 16 23.542 -14.300 -7.944 1.00 0.93 H new ATOM 0 HA MET A 16 23.526 -15.504 -5.414 1.00 0.98 H new ATOM 0 HB2 MET A 16 21.556 -14.769 -7.511 1.00 1.15 H new ATOM 0 HB3 MET A 16 21.039 -16.043 -6.425 1.00 1.15 H new ATOM 0 HG2 MET A 16 21.457 -14.599 -4.479 1.00 1.45 H new ATOM 0 HG3 MET A 16 22.077 -13.334 -5.521 1.00 1.45 H new ATOM 0 HE1 MET A 16 19.157 -11.925 -7.383 1.00 2.23 H new ATOM 0 HE2 MET A 16 20.825 -12.527 -7.533 1.00 2.23 H new ATOM 0 HE3 MET A 16 19.461 -13.548 -8.048 1.00 2.23 H new ATOM 128 N ASP A 17 22.983 -17.590 -7.936 1.00 0.91 N ATOM 129 CA ASP A 17 23.031 -18.998 -8.300 1.00 0.97 C ATOM 130 C ASP A 17 24.371 -19.601 -7.883 1.00 0.88 C ATOM 131 O ASP A 17 24.423 -20.696 -7.326 1.00 0.86 O ATOM 132 CB ASP A 17 22.815 -19.168 -9.810 1.00 1.19 C ATOM 133 CG ASP A 17 22.983 -20.607 -10.262 1.00 1.80 C ATOM 134 OD1 ASP A 17 24.123 -20.991 -10.599 1.00 2.46 O ATOM 135 OD2 ASP A 17 21.978 -21.347 -10.278 1.00 2.44 O ATOM 0 H ASP A 17 22.760 -16.957 -8.704 1.00 0.91 H new ATOM 0 HA ASP A 17 22.232 -19.523 -7.777 1.00 0.97 H new ATOM 0 HB2 ASP A 17 21.815 -18.823 -10.072 1.00 1.19 H new ATOM 0 HB3 ASP A 17 23.522 -18.536 -10.348 1.00 1.19 H new ATOM 140 N ASP A 18 25.451 -18.869 -8.142 1.00 0.95 N ATOM 141 CA ASP A 18 26.794 -19.318 -7.790 1.00 1.09 C ATOM 142 C ASP A 18 26.901 -19.598 -6.296 1.00 1.01 C ATOM 143 O ASP A 18 27.429 -20.633 -5.892 1.00 1.05 O ATOM 144 CB ASP A 18 27.841 -18.277 -8.208 1.00 1.33 C ATOM 145 CG ASP A 18 28.958 -18.861 -9.060 1.00 1.90 C ATOM 146 OD1 ASP A 18 29.162 -20.093 -9.022 1.00 2.49 O ATOM 147 OD2 ASP A 18 29.631 -18.082 -9.767 1.00 2.48 O ATOM 0 H ASP A 18 25.421 -17.957 -8.597 1.00 0.95 H new ATOM 0 HA ASP A 18 26.988 -20.245 -8.329 1.00 1.09 H new ATOM 0 HB2 ASP A 18 27.349 -17.478 -8.763 1.00 1.33 H new ATOM 0 HB3 ASP A 18 28.272 -17.825 -7.315 1.00 1.33 H new ATOM 152 N GLU A 19 26.395 -18.679 -5.473 1.00 1.02 N ATOM 153 CA GLU A 19 26.443 -18.866 -4.028 1.00 1.12 C ATOM 154 C GLU A 19 25.582 -20.066 -3.637 1.00 0.89 C ATOM 155 O GLU A 19 26.067 -21.004 -2.996 1.00 0.88 O ATOM 156 CB GLU A 19 26.027 -17.586 -3.283 1.00 1.38 C ATOM 157 CG GLU A 19 24.557 -17.217 -3.395 1.00 2.04 C ATOM 158 CD GLU A 19 24.137 -16.133 -2.416 1.00 2.53 C ATOM 159 OE1 GLU A 19 24.970 -15.722 -1.580 1.00 3.07 O ATOM 160 OE2 GLU A 19 22.971 -15.693 -2.487 1.00 3.02 O ATOM 0 H GLU A 19 25.954 -17.811 -5.779 1.00 1.02 H new ATOM 0 HA GLU A 19 27.471 -19.073 -3.730 1.00 1.12 H new ATOM 0 HB2 GLU A 19 26.276 -17.702 -2.228 1.00 1.38 H new ATOM 0 HB3 GLU A 19 26.623 -16.755 -3.661 1.00 1.38 H new ATOM 0 HG2 GLU A 19 24.350 -16.881 -4.411 1.00 2.04 H new ATOM 0 HG3 GLU A 19 23.951 -18.107 -3.224 1.00 2.04 H new ATOM 167 N GLU A 20 24.317 -20.066 -4.066 1.00 0.84 N ATOM 168 CA GLU A 20 23.431 -21.190 -3.787 1.00 0.84 C ATOM 169 C GLU A 20 24.144 -22.496 -4.128 1.00 0.73 C ATOM 170 O GLU A 20 24.094 -23.464 -3.370 1.00 0.78 O ATOM 171 CB GLU A 20 22.132 -21.068 -4.590 1.00 1.03 C ATOM 172 CG GLU A 20 21.022 -21.986 -4.100 1.00 1.61 C ATOM 173 CD GLU A 20 19.879 -21.230 -3.445 1.00 1.98 C ATOM 174 OE1 GLU A 20 20.147 -20.434 -2.520 1.00 2.50 O ATOM 175 OE2 GLU A 20 18.717 -21.432 -3.858 1.00 2.49 O ATOM 0 H GLU A 20 23.891 -19.309 -4.601 1.00 0.84 H new ATOM 0 HA GLU A 20 23.175 -21.184 -2.727 1.00 0.84 H new ATOM 0 HB2 GLU A 20 21.784 -20.036 -4.546 1.00 1.03 H new ATOM 0 HB3 GLU A 20 22.340 -21.290 -5.637 1.00 1.03 H new ATOM 0 HG2 GLU A 20 20.636 -22.562 -4.941 1.00 1.61 H new ATOM 0 HG3 GLU A 20 21.435 -22.700 -3.387 1.00 1.61 H new ATOM 182 N SER A 21 24.829 -22.511 -5.272 1.00 0.75 N ATOM 183 CA SER A 21 25.571 -23.684 -5.696 1.00 0.89 C ATOM 184 C SER A 21 26.628 -24.034 -4.654 1.00 0.84 C ATOM 185 O SER A 21 26.707 -25.176 -4.199 1.00 0.91 O ATOM 186 CB SER A 21 26.224 -23.444 -7.059 1.00 1.14 C ATOM 187 OG SER A 21 26.450 -24.667 -7.736 1.00 1.59 O ATOM 0 H SER A 21 24.881 -21.722 -5.916 1.00 0.75 H new ATOM 0 HA SER A 21 24.879 -24.521 -5.792 1.00 0.89 H new ATOM 0 HB2 SER A 21 25.584 -22.802 -7.665 1.00 1.14 H new ATOM 0 HB3 SER A 21 27.169 -22.918 -6.926 1.00 1.14 H new ATOM 0 HG SER A 21 27.123 -25.190 -7.252 1.00 1.59 H new ATOM 193 N TRP A 22 27.424 -23.039 -4.256 1.00 0.91 N ATOM 194 CA TRP A 22 28.461 -23.256 -3.249 1.00 1.05 C ATOM 195 C TRP A 22 27.868 -23.956 -2.029 1.00 0.87 C ATOM 196 O TRP A 22 28.448 -24.907 -1.508 1.00 0.92 O ATOM 197 CB TRP A 22 29.124 -21.936 -2.827 1.00 1.38 C ATOM 198 CG TRP A 22 29.915 -22.083 -1.564 1.00 1.53 C ATOM 199 CD1 TRP A 22 31.242 -22.393 -1.445 1.00 2.19 C ATOM 200 CD2 TRP A 22 29.413 -21.962 -0.230 1.00 1.39 C ATOM 201 NE1 TRP A 22 31.581 -22.482 -0.115 1.00 2.16 N ATOM 202 CE2 TRP A 22 30.480 -22.221 0.639 1.00 1.65 C ATOM 203 CE3 TRP A 22 28.167 -21.661 0.315 1.00 1.73 C ATOM 204 CZ2 TRP A 22 30.340 -22.195 2.009 1.00 1.79 C ATOM 205 CZ3 TRP A 22 28.029 -21.631 1.685 1.00 2.24 C ATOM 206 CH2 TRP A 22 29.113 -21.899 2.519 1.00 2.11 C ATOM 0 H TRP A 22 27.371 -22.085 -4.612 1.00 0.91 H new ATOM 0 HA TRP A 22 29.229 -23.889 -3.693 1.00 1.05 H new ATOM 0 HB2 TRP A 22 29.779 -21.588 -3.626 1.00 1.38 H new ATOM 0 HB3 TRP A 22 28.357 -21.174 -2.688 1.00 1.38 H new ATOM 0 HD1 TRP A 22 31.921 -22.545 -2.271 1.00 2.19 H new ATOM 0 HE1 TRP A 22 32.508 -22.707 0.247 1.00 2.16 H new ATOM 0 HE3 TRP A 22 27.323 -21.455 -0.326 1.00 1.73 H new ATOM 0 HZ2 TRP A 22 31.178 -22.403 2.658 1.00 1.79 H new ATOM 0 HZ3 TRP A 22 27.068 -21.397 2.119 1.00 2.24 H new ATOM 0 HH2 TRP A 22 28.977 -21.871 3.590 1.00 2.11 H new ATOM 217 N ILE A 23 26.711 -23.476 -1.572 1.00 0.80 N ATOM 218 CA ILE A 23 26.039 -24.075 -0.422 1.00 0.90 C ATOM 219 C ILE A 23 25.944 -25.589 -0.597 1.00 0.87 C ATOM 220 O ILE A 23 26.455 -26.351 0.222 1.00 0.95 O ATOM 221 CB ILE A 23 24.620 -23.487 -0.211 1.00 1.16 C ATOM 222 CG1 ILE A 23 24.691 -22.203 0.627 1.00 1.34 C ATOM 223 CG2 ILE A 23 23.702 -24.509 0.456 1.00 1.46 C ATOM 224 CD1 ILE A 23 23.335 -21.636 0.989 1.00 1.92 C ATOM 0 H ILE A 23 26.223 -22.678 -1.979 1.00 0.80 H new ATOM 0 HA ILE A 23 26.635 -23.842 0.460 1.00 0.90 H new ATOM 0 HB ILE A 23 24.204 -23.242 -1.188 1.00 1.16 H new ATOM 0 HG12 ILE A 23 25.245 -22.408 1.543 1.00 1.34 H new ATOM 0 HG13 ILE A 23 25.254 -21.450 0.075 1.00 1.34 H new ATOM 0 HG21 ILE A 23 22.712 -24.074 0.594 1.00 1.46 H new ATOM 0 HG22 ILE A 23 23.624 -25.395 -0.175 1.00 1.46 H new ATOM 0 HG23 ILE A 23 24.113 -24.789 1.426 1.00 1.46 H new ATOM 0 HD11 ILE A 23 23.466 -20.730 1.581 1.00 1.92 H new ATOM 0 HD12 ILE A 23 22.785 -21.398 0.078 1.00 1.92 H new ATOM 0 HD13 ILE A 23 22.776 -22.371 1.569 1.00 1.92 H new ATOM 236 N LYS A 24 25.299 -26.016 -1.680 1.00 0.92 N ATOM 237 CA LYS A 24 25.147 -27.440 -1.971 1.00 1.18 C ATOM 238 C LYS A 24 26.484 -28.166 -1.859 1.00 1.21 C ATOM 239 O LYS A 24 26.591 -29.202 -1.201 1.00 1.38 O ATOM 240 CB LYS A 24 24.573 -27.639 -3.375 1.00 1.40 C ATOM 241 CG LYS A 24 23.108 -27.251 -3.506 1.00 2.00 C ATOM 242 CD LYS A 24 22.599 -27.458 -4.927 1.00 2.68 C ATOM 243 CE LYS A 24 23.167 -26.420 -5.883 1.00 3.24 C ATOM 244 NZ LYS A 24 24.425 -26.884 -6.535 1.00 3.58 N ATOM 0 H LYS A 24 24.873 -25.397 -2.370 1.00 0.92 H new ATOM 0 HA LYS A 24 24.459 -27.859 -1.237 1.00 1.18 H new ATOM 0 HB2 LYS A 24 25.158 -27.051 -4.082 1.00 1.40 H new ATOM 0 HB3 LYS A 24 24.688 -28.685 -3.658 1.00 1.40 H new ATOM 0 HG2 LYS A 24 22.510 -27.845 -2.814 1.00 2.00 H new ATOM 0 HG3 LYS A 24 22.981 -26.207 -3.222 1.00 2.00 H new ATOM 0 HD2 LYS A 24 22.871 -28.456 -5.270 1.00 2.68 H new ATOM 0 HD3 LYS A 24 21.510 -27.404 -4.935 1.00 2.68 H new ATOM 0 HE2 LYS A 24 22.426 -26.190 -6.649 1.00 3.24 H new ATOM 0 HE3 LYS A 24 23.361 -25.495 -5.339 1.00 3.24 H new ATOM 0 HZ1 LYS A 24 24.396 -26.653 -7.549 1.00 3.58 H new ATOM 0 HZ2 LYS A 24 25.239 -26.410 -6.095 1.00 3.58 H new ATOM 0 HZ3 LYS A 24 24.518 -27.913 -6.417 1.00 3.58 H new ATOM 258 N GLU A 25 27.501 -27.617 -2.515 1.00 1.18 N ATOM 259 CA GLU A 25 28.827 -28.202 -2.507 1.00 1.40 C ATOM 260 C GLU A 25 29.343 -28.389 -1.082 1.00 1.37 C ATOM 261 O GLU A 25 29.832 -29.463 -0.729 1.00 1.59 O ATOM 262 CB GLU A 25 29.772 -27.318 -3.317 1.00 1.58 C ATOM 263 CG GLU A 25 29.739 -27.599 -4.814 1.00 2.34 C ATOM 264 CD GLU A 25 28.429 -27.180 -5.462 1.00 2.86 C ATOM 265 OE1 GLU A 25 27.407 -27.866 -5.244 1.00 3.45 O ATOM 266 OE2 GLU A 25 28.423 -26.165 -6.190 1.00 3.26 O ATOM 0 H GLU A 25 27.425 -26.760 -3.062 1.00 1.18 H new ATOM 0 HA GLU A 25 28.779 -29.191 -2.963 1.00 1.40 H new ATOM 0 HB2 GLU A 25 29.514 -26.273 -3.146 1.00 1.58 H new ATOM 0 HB3 GLU A 25 30.789 -27.458 -2.952 1.00 1.58 H new ATOM 0 HG2 GLU A 25 30.563 -27.073 -5.296 1.00 2.34 H new ATOM 0 HG3 GLU A 25 29.899 -28.664 -4.983 1.00 2.34 H new ATOM 273 N LYS A 26 29.225 -27.350 -0.259 1.00 1.19 N ATOM 274 CA LYS A 26 29.677 -27.434 1.127 1.00 1.29 C ATOM 275 C LYS A 26 28.856 -28.474 1.881 1.00 1.31 C ATOM 276 O LYS A 26 29.406 -29.309 2.597 1.00 1.49 O ATOM 277 CB LYS A 26 29.593 -26.068 1.809 1.00 1.34 C ATOM 278 CG LYS A 26 30.091 -26.067 3.248 1.00 1.63 C ATOM 279 CD LYS A 26 28.975 -26.353 4.242 1.00 2.01 C ATOM 280 CE LYS A 26 29.523 -26.896 5.555 1.00 2.27 C ATOM 281 NZ LYS A 26 30.446 -28.047 5.340 1.00 2.77 N ATOM 0 H LYS A 26 28.825 -26.450 -0.524 1.00 1.19 H new ATOM 0 HA LYS A 26 30.722 -27.745 1.137 1.00 1.29 H new ATOM 0 HB2 LYS A 26 30.175 -25.348 1.233 1.00 1.34 H new ATOM 0 HB3 LYS A 26 28.558 -25.727 1.793 1.00 1.34 H new ATOM 0 HG2 LYS A 26 30.876 -26.815 3.360 1.00 1.63 H new ATOM 0 HG3 LYS A 26 30.539 -25.099 3.475 1.00 1.63 H new ATOM 0 HD2 LYS A 26 28.412 -25.439 4.432 1.00 2.01 H new ATOM 0 HD3 LYS A 26 28.279 -27.073 3.812 1.00 2.01 H new ATOM 0 HE2 LYS A 26 30.050 -26.102 6.084 1.00 2.27 H new ATOM 0 HE3 LYS A 26 28.696 -27.209 6.192 1.00 2.27 H new ATOM 0 HZ1 LYS A 26 30.503 -28.614 6.210 1.00 2.77 H new ATOM 0 HZ2 LYS A 26 30.087 -28.639 4.564 1.00 2.77 H new ATOM 0 HZ3 LYS A 26 31.392 -27.692 5.096 1.00 2.77 H new ATOM 295 N LYS A 27 27.536 -28.438 1.694 1.00 1.25 N ATOM 296 CA LYS A 27 26.650 -29.400 2.338 1.00 1.48 C ATOM 297 C LYS A 27 27.186 -30.813 2.127 1.00 1.65 C ATOM 298 O LYS A 27 27.196 -31.631 3.047 1.00 1.84 O ATOM 299 CB LYS A 27 25.230 -29.280 1.775 1.00 1.61 C ATOM 300 CG LYS A 27 24.198 -30.117 2.520 1.00 2.10 C ATOM 301 CD LYS A 27 23.970 -31.462 1.841 1.00 2.50 C ATOM 302 CE LYS A 27 23.685 -32.564 2.853 1.00 3.05 C ATOM 303 NZ LYS A 27 24.832 -32.785 3.777 1.00 3.62 N ATOM 0 H LYS A 27 27.061 -27.755 1.104 1.00 1.25 H new ATOM 0 HA LYS A 27 26.614 -29.188 3.407 1.00 1.48 H new ATOM 0 HB2 LYS A 27 24.925 -28.234 1.805 1.00 1.61 H new ATOM 0 HB3 LYS A 27 25.239 -29.580 0.727 1.00 1.61 H new ATOM 0 HG2 LYS A 27 24.531 -30.278 3.545 1.00 2.10 H new ATOM 0 HG3 LYS A 27 23.256 -29.571 2.573 1.00 2.10 H new ATOM 0 HD2 LYS A 27 23.134 -31.381 1.146 1.00 2.50 H new ATOM 0 HD3 LYS A 27 24.849 -31.726 1.253 1.00 2.50 H new ATOM 0 HE2 LYS A 27 22.799 -32.304 3.432 1.00 3.05 H new ATOM 0 HE3 LYS A 27 23.461 -33.491 2.326 1.00 3.05 H new ATOM 0 HZ1 LYS A 27 25.254 -33.717 3.590 1.00 3.62 H new ATOM 0 HZ2 LYS A 27 25.547 -32.045 3.627 1.00 3.62 H new ATOM 0 HZ3 LYS A 27 24.497 -32.748 4.761 1.00 3.62 H new ATOM 317 N LEU A 28 27.647 -31.088 0.904 1.00 1.65 N ATOM 318 CA LEU A 28 28.203 -32.394 0.576 1.00 1.92 C ATOM 319 C LEU A 28 29.363 -32.718 1.513 1.00 1.96 C ATOM 320 O LEU A 28 29.470 -33.834 2.022 1.00 2.16 O ATOM 321 CB LEU A 28 28.676 -32.425 -0.884 1.00 2.05 C ATOM 322 CG LEU A 28 29.106 -33.801 -1.414 1.00 2.51 C ATOM 323 CD1 LEU A 28 30.504 -34.158 -0.924 1.00 3.19 C ATOM 324 CD2 LEU A 28 28.103 -34.875 -1.013 1.00 2.78 C ATOM 0 H LEU A 28 27.644 -30.423 0.130 1.00 1.65 H new ATOM 0 HA LEU A 28 27.425 -33.147 0.703 1.00 1.92 H new ATOM 0 HB2 LEU A 28 27.872 -32.048 -1.516 1.00 2.05 H new ATOM 0 HB3 LEU A 28 29.514 -31.737 -0.990 1.00 2.05 H new ATOM 0 HG LEU A 28 29.131 -33.750 -2.503 1.00 2.51 H new ATOM 0 HD11 LEU A 28 30.787 -35.137 -1.312 1.00 3.19 H new ATOM 0 HD12 LEU A 28 31.215 -33.409 -1.274 1.00 3.19 H new ATOM 0 HD13 LEU A 28 30.512 -34.184 0.166 1.00 3.19 H new ATOM 0 HD21 LEU A 28 28.429 -35.840 -1.400 1.00 2.78 H new ATOM 0 HD22 LEU A 28 28.037 -34.923 0.074 1.00 2.78 H new ATOM 0 HD23 LEU A 28 27.124 -34.631 -1.426 1.00 2.78 H new ATOM 336 N LEU A 29 30.224 -31.726 1.743 1.00 1.84 N ATOM 337 CA LEU A 29 31.369 -31.903 2.631 1.00 2.00 C ATOM 338 C LEU A 29 30.906 -32.382 4.002 1.00 2.03 C ATOM 339 O LEU A 29 31.495 -33.292 4.578 1.00 2.24 O ATOM 340 CB LEU A 29 32.165 -30.599 2.769 1.00 2.00 C ATOM 341 CG LEU A 29 32.534 -29.915 1.447 1.00 2.43 C ATOM 342 CD1 LEU A 29 33.191 -28.564 1.708 1.00 3.02 C ATOM 343 CD2 LEU A 29 33.452 -30.805 0.618 1.00 3.08 C ATOM 0 H LEU A 29 30.150 -30.797 1.328 1.00 1.84 H new ATOM 0 HA LEU A 29 32.023 -32.658 2.193 1.00 2.00 H new ATOM 0 HB2 LEU A 29 31.585 -29.900 3.371 1.00 2.00 H new ATOM 0 HB3 LEU A 29 33.082 -30.809 3.319 1.00 2.00 H new ATOM 0 HG LEU A 29 31.617 -29.748 0.881 1.00 2.43 H new ATOM 0 HD11 LEU A 29 33.446 -28.094 0.758 1.00 3.02 H new ATOM 0 HD12 LEU A 29 32.500 -27.923 2.256 1.00 3.02 H new ATOM 0 HD13 LEU A 29 34.097 -28.708 2.296 1.00 3.02 H new ATOM 0 HD21 LEU A 29 33.702 -30.301 -0.316 1.00 3.08 H new ATOM 0 HD22 LEU A 29 34.366 -31.006 1.177 1.00 3.08 H new ATOM 0 HD23 LEU A 29 32.946 -31.745 0.399 1.00 3.08 H new ATOM 355 N VAL A 30 29.835 -31.780 4.512 1.00 1.90 N ATOM 356 CA VAL A 30 29.293 -32.172 5.811 1.00 2.05 C ATOM 357 C VAL A 30 29.019 -33.673 5.831 1.00 2.27 C ATOM 358 O VAL A 30 29.253 -34.346 6.834 1.00 2.48 O ATOM 359 CB VAL A 30 27.984 -31.421 6.149 1.00 2.03 C ATOM 360 CG1 VAL A 30 27.591 -31.658 7.601 1.00 2.35 C ATOM 361 CG2 VAL A 30 28.120 -29.930 5.867 1.00 2.26 C ATOM 0 H VAL A 30 29.328 -31.025 4.050 1.00 1.90 H new ATOM 0 HA VAL A 30 30.040 -31.910 6.561 1.00 2.05 H new ATOM 0 HB VAL A 30 27.195 -31.814 5.508 1.00 2.03 H new ATOM 0 HG11 VAL A 30 26.668 -31.122 7.820 1.00 2.35 H new ATOM 0 HG12 VAL A 30 27.439 -32.724 7.767 1.00 2.35 H new ATOM 0 HG13 VAL A 30 28.384 -31.298 8.256 1.00 2.35 H new ATOM 0 HG21 VAL A 30 27.185 -29.426 6.113 1.00 2.26 H new ATOM 0 HG22 VAL A 30 28.926 -29.517 6.474 1.00 2.26 H new ATOM 0 HG23 VAL A 30 28.346 -29.778 4.812 1.00 2.26 H new ATOM 371 N SER A 31 28.521 -34.182 4.706 1.00 2.30 N ATOM 372 CA SER A 31 28.212 -35.602 4.565 1.00 2.61 C ATOM 373 C SER A 31 29.491 -36.438 4.531 1.00 2.74 C ATOM 374 O SER A 31 29.485 -37.611 4.905 1.00 3.01 O ATOM 375 CB SER A 31 27.395 -35.843 3.289 1.00 2.70 C ATOM 376 OG SER A 31 26.846 -34.634 2.795 1.00 2.71 O ATOM 0 H SER A 31 28.322 -33.627 3.874 1.00 2.30 H new ATOM 0 HA SER A 31 27.623 -35.908 5.429 1.00 2.61 H new ATOM 0 HB2 SER A 31 28.031 -36.295 2.527 1.00 2.70 H new ATOM 0 HB3 SER A 31 26.593 -36.552 3.496 1.00 2.70 H new ATOM 0 HG SER A 31 25.997 -34.821 2.343 1.00 2.71 H new ATOM 382 N SER A 32 30.580 -35.828 4.070 1.00 2.63 N ATOM 383 CA SER A 32 31.869 -36.515 3.983 1.00 2.85 C ATOM 384 C SER A 32 32.571 -36.535 5.340 1.00 2.93 C ATOM 385 O SER A 32 33.263 -37.498 5.677 1.00 3.19 O ATOM 386 CB SER A 32 32.762 -35.843 2.933 1.00 2.84 C ATOM 387 OG SER A 32 33.531 -34.797 3.499 1.00 3.16 O ATOM 0 H SER A 32 30.597 -34.859 3.751 1.00 2.63 H new ATOM 0 HA SER A 32 31.684 -37.546 3.680 1.00 2.85 H new ATOM 0 HB2 SER A 32 33.426 -36.585 2.490 1.00 2.84 H new ATOM 0 HB3 SER A 32 32.144 -35.447 2.128 1.00 2.84 H new ATOM 0 HG SER A 32 32.944 -34.196 4.004 1.00 3.16 H new ATOM 393 N GLU A 33 32.397 -35.454 6.102 1.00 2.79 N ATOM 394 CA GLU A 33 33.018 -35.315 7.419 1.00 2.95 C ATOM 395 C GLU A 33 32.287 -36.136 8.486 1.00 3.13 C ATOM 396 O GLU A 33 32.289 -35.777 9.666 1.00 3.53 O ATOM 397 CB GLU A 33 33.045 -33.838 7.830 1.00 3.57 C ATOM 398 CG GLU A 33 33.795 -32.942 6.853 1.00 3.89 C ATOM 399 CD GLU A 33 34.656 -33.725 5.875 1.00 3.97 C ATOM 400 OE1 GLU A 33 35.399 -34.625 6.320 1.00 4.15 O ATOM 401 OE2 GLU A 33 34.589 -33.431 4.663 1.00 4.37 O ATOM 0 H GLU A 33 31.826 -34.656 5.826 1.00 2.79 H new ATOM 0 HA GLU A 33 34.036 -35.698 7.345 1.00 2.95 H new ATOM 0 HB2 GLU A 33 32.021 -33.478 7.925 1.00 3.57 H new ATOM 0 HB3 GLU A 33 33.506 -33.753 8.814 1.00 3.57 H new ATOM 0 HG2 GLU A 33 33.078 -32.339 6.296 1.00 3.89 H new ATOM 0 HG3 GLU A 33 34.426 -32.251 7.412 1.00 3.89 H new ATOM 408 N ASP A 34 31.675 -37.242 8.073 1.00 3.39 N ATOM 409 CA ASP A 34 30.955 -38.111 8.997 1.00 4.20 C ATOM 410 C ASP A 34 31.921 -39.064 9.692 1.00 4.34 C ATOM 411 O ASP A 34 32.110 -40.202 9.258 1.00 4.57 O ATOM 412 CB ASP A 34 29.870 -38.900 8.256 1.00 4.70 C ATOM 413 CG ASP A 34 30.332 -40.291 7.864 1.00 4.63 C ATOM 414 OD1 ASP A 34 30.621 -41.098 8.770 1.00 4.83 O ATOM 415 OD2 ASP A 34 30.412 -40.571 6.649 1.00 4.85 O ATOM 0 H ASP A 34 31.664 -37.558 7.103 1.00 3.39 H new ATOM 0 HA ASP A 34 30.476 -37.489 9.753 1.00 4.20 H new ATOM 0 HB2 ASP A 34 28.986 -38.979 8.889 1.00 4.70 H new ATOM 0 HB3 ASP A 34 29.574 -38.353 7.361 1.00 4.70 H new ATOM 420 N TYR A 35 32.536 -38.587 10.772 1.00 4.62 N ATOM 421 CA TYR A 35 33.486 -39.388 11.544 1.00 5.01 C ATOM 422 C TYR A 35 33.970 -38.620 12.774 1.00 4.75 C ATOM 423 O TYR A 35 34.527 -39.213 13.697 1.00 5.05 O ATOM 424 CB TYR A 35 34.684 -39.798 10.675 1.00 5.66 C ATOM 425 CG TYR A 35 35.483 -38.627 10.146 1.00 6.44 C ATOM 426 CD1 TYR A 35 36.441 -38.006 10.938 1.00 6.97 C ATOM 427 CD2 TYR A 35 35.279 -38.140 8.861 1.00 6.95 C ATOM 428 CE1 TYR A 35 37.173 -36.936 10.465 1.00 7.94 C ATOM 429 CE2 TYR A 35 36.007 -37.068 8.382 1.00 7.93 C ATOM 430 CZ TYR A 35 36.952 -36.470 9.187 1.00 8.40 C ATOM 431 OH TYR A 35 37.679 -35.404 8.712 1.00 9.52 O ATOM 0 H TYR A 35 32.393 -37.644 11.135 1.00 4.62 H new ATOM 0 HA TYR A 35 32.971 -40.289 11.877 1.00 5.01 H new ATOM 0 HB2 TYR A 35 35.342 -40.441 11.260 1.00 5.66 H new ATOM 0 HB3 TYR A 35 34.325 -40.391 9.834 1.00 5.66 H new ATOM 0 HD1 TYR A 35 36.616 -38.367 11.941 1.00 6.97 H new ATOM 0 HD2 TYR A 35 34.540 -38.607 8.227 1.00 6.95 H new ATOM 0 HE1 TYR A 35 37.915 -36.466 11.093 1.00 7.94 H new ATOM 0 HE2 TYR A 35 35.836 -36.700 7.381 1.00 7.93 H new ATOM 0 HH TYR A 35 37.402 -35.202 7.794 1.00 9.52 H new ATOM 441 N GLY A 36 33.739 -37.301 12.771 1.00 4.65 N ATOM 442 CA GLY A 36 34.135 -36.439 13.883 1.00 4.85 C ATOM 443 C GLY A 36 35.263 -36.992 14.736 1.00 4.72 C ATOM 444 O GLY A 36 36.436 -36.812 14.415 1.00 4.78 O ATOM 0 H GLY A 36 33.278 -36.809 12.006 1.00 4.65 H new ATOM 0 HA2 GLY A 36 34.438 -35.470 13.486 1.00 4.85 H new ATOM 0 HA3 GLY A 36 33.267 -36.265 14.519 1.00 4.85 H new ATOM 448 N ARG A 37 34.892 -37.653 15.836 1.00 4.88 N ATOM 449 CA ARG A 37 35.849 -38.243 16.783 1.00 4.91 C ATOM 450 C ARG A 37 37.163 -38.665 16.110 1.00 4.57 C ATOM 451 O ARG A 37 38.237 -38.488 16.684 1.00 4.62 O ATOM 452 CB ARG A 37 35.194 -39.433 17.512 1.00 5.47 C ATOM 453 CG ARG A 37 36.103 -40.637 17.742 1.00 5.76 C ATOM 454 CD ARG A 37 35.878 -41.725 16.696 1.00 5.57 C ATOM 455 NE ARG A 37 34.640 -42.468 16.936 1.00 6.10 N ATOM 456 CZ ARG A 37 33.479 -42.207 16.332 1.00 6.73 C ATOM 457 NH1 ARG A 37 33.389 -41.241 15.428 1.00 7.28 N ATOM 458 NH2 ARG A 37 32.403 -42.920 16.630 1.00 7.03 N ATOM 0 H ARG A 37 33.917 -37.796 16.098 1.00 4.88 H new ATOM 0 HA ARG A 37 36.111 -37.474 17.510 1.00 4.91 H new ATOM 0 HB2 ARG A 37 34.825 -39.088 18.478 1.00 5.47 H new ATOM 0 HB3 ARG A 37 34.327 -39.758 16.937 1.00 5.47 H new ATOM 0 HG2 ARG A 37 37.144 -40.317 17.715 1.00 5.76 H new ATOM 0 HG3 ARG A 37 35.921 -41.045 18.736 1.00 5.76 H new ATOM 0 HD2 ARG A 37 35.843 -41.273 15.705 1.00 5.57 H new ATOM 0 HD3 ARG A 37 36.722 -42.415 16.703 1.00 5.57 H new ATOM 0 HE ARG A 37 34.666 -43.235 17.608 1.00 6.10 H new ATOM 0 HH11 ARG A 37 34.212 -40.689 15.188 1.00 7.28 H new ATOM 0 HH12 ARG A 37 32.496 -41.050 14.973 1.00 7.28 H new ATOM 0 HH21 ARG A 37 32.462 -43.668 17.321 1.00 7.03 H new ATOM 0 HH22 ARG A 37 31.515 -42.721 16.169 1.00 7.03 H new ATOM 472 N ASP A 38 37.072 -39.225 14.905 1.00 4.69 N ATOM 473 CA ASP A 38 38.257 -39.664 14.157 1.00 4.86 C ATOM 474 C ASP A 38 39.257 -40.417 15.045 1.00 4.66 C ATOM 475 O ASP A 38 40.458 -40.409 14.782 1.00 4.86 O ATOM 476 CB ASP A 38 38.944 -38.451 13.518 1.00 5.43 C ATOM 477 CG ASP A 38 39.766 -38.814 12.296 1.00 5.48 C ATOM 478 OD1 ASP A 38 39.167 -39.196 11.269 1.00 5.43 O ATOM 479 OD2 ASP A 38 41.008 -38.706 12.361 1.00 5.96 O ATOM 0 H ASP A 38 36.189 -39.387 14.421 1.00 4.69 H new ATOM 0 HA ASP A 38 37.920 -40.354 13.384 1.00 4.86 H new ATOM 0 HB2 ASP A 38 38.188 -37.718 13.236 1.00 5.43 H new ATOM 0 HB3 ASP A 38 39.590 -37.975 14.256 1.00 5.43 H new ATOM 484 N LEU A 39 38.748 -41.063 16.090 1.00 4.60 N ATOM 485 CA LEU A 39 39.576 -41.824 17.026 1.00 4.67 C ATOM 486 C LEU A 39 40.786 -41.013 17.512 1.00 4.33 C ATOM 487 O LEU A 39 41.788 -41.579 17.951 1.00 4.41 O ATOM 488 CB LEU A 39 40.029 -43.138 16.383 1.00 4.84 C ATOM 489 CG LEU A 39 40.555 -44.198 17.360 1.00 5.16 C ATOM 490 CD1 LEU A 39 39.456 -45.187 17.724 1.00 5.40 C ATOM 491 CD2 LEU A 39 41.753 -44.925 16.764 1.00 5.47 C ATOM 0 H LEU A 39 37.753 -41.075 16.313 1.00 4.60 H new ATOM 0 HA LEU A 39 38.966 -42.048 17.901 1.00 4.67 H new ATOM 0 HB2 LEU A 39 39.190 -43.561 15.830 1.00 4.84 H new ATOM 0 HB3 LEU A 39 40.811 -42.917 15.656 1.00 4.84 H new ATOM 0 HG LEU A 39 40.876 -43.694 18.272 1.00 5.16 H new ATOM 0 HD11 LEU A 39 39.850 -45.930 18.417 1.00 5.40 H new ATOM 0 HD12 LEU A 39 38.629 -44.655 18.194 1.00 5.40 H new ATOM 0 HD13 LEU A 39 39.101 -45.685 16.822 1.00 5.40 H new ATOM 0 HD21 LEU A 39 42.113 -45.673 17.470 1.00 5.47 H new ATOM 0 HD22 LEU A 39 41.457 -45.415 15.836 1.00 5.47 H new ATOM 0 HD23 LEU A 39 42.548 -44.208 16.558 1.00 5.47 H new ATOM 503 N THR A 40 40.676 -39.688 17.447 1.00 4.12 N ATOM 504 CA THR A 40 41.743 -38.793 17.890 1.00 3.95 C ATOM 505 C THR A 40 41.247 -37.351 17.899 1.00 3.81 C ATOM 506 O THR A 40 41.408 -36.622 16.924 1.00 3.56 O ATOM 507 CB THR A 40 42.981 -38.928 16.990 1.00 3.89 C ATOM 508 OG1 THR A 40 43.952 -37.951 17.328 1.00 4.22 O ATOM 509 CG2 THR A 40 42.680 -38.785 15.510 1.00 3.59 C ATOM 0 H THR A 40 39.851 -39.207 17.089 1.00 4.12 H new ATOM 0 HA THR A 40 42.029 -39.075 18.903 1.00 3.95 H new ATOM 0 HB THR A 40 43.351 -39.938 17.166 1.00 3.89 H new ATOM 0 HG1 THR A 40 44.829 -38.233 16.994 1.00 4.22 H new ATOM 0 HG21 THR A 40 43.602 -38.892 14.939 1.00 3.59 H new ATOM 0 HG22 THR A 40 41.973 -39.557 15.206 1.00 3.59 H new ATOM 0 HG23 THR A 40 42.248 -37.803 15.320 1.00 3.59 H new ATOM 517 N GLY A 41 40.626 -36.952 19.006 1.00 4.04 N ATOM 518 CA GLY A 41 40.095 -35.603 19.123 1.00 4.02 C ATOM 519 C GLY A 41 41.112 -34.518 18.812 1.00 3.78 C ATOM 520 O GLY A 41 40.909 -33.716 17.903 1.00 3.57 O ATOM 0 H GLY A 41 40.480 -37.540 19.827 1.00 4.04 H new ATOM 0 HA2 GLY A 41 39.245 -35.497 18.449 1.00 4.02 H new ATOM 0 HA3 GLY A 41 39.719 -35.457 20.135 1.00 4.02 H new ATOM 524 N VAL A 42 42.199 -34.479 19.577 1.00 3.86 N ATOM 525 CA VAL A 42 43.241 -33.464 19.393 1.00 3.76 C ATOM 526 C VAL A 42 43.640 -33.292 17.928 1.00 3.39 C ATOM 527 O VAL A 42 43.505 -32.202 17.366 1.00 3.25 O ATOM 528 CB VAL A 42 44.503 -33.791 20.222 1.00 3.99 C ATOM 529 CG1 VAL A 42 45.366 -32.548 20.395 1.00 4.39 C ATOM 530 CG2 VAL A 42 44.126 -34.380 21.575 1.00 4.39 C ATOM 0 H VAL A 42 42.385 -35.138 20.333 1.00 3.86 H new ATOM 0 HA VAL A 42 42.807 -32.528 19.744 1.00 3.76 H new ATOM 0 HB VAL A 42 45.083 -34.538 19.680 1.00 3.99 H new ATOM 0 HG11 VAL A 42 46.250 -32.798 20.981 1.00 4.39 H new ATOM 0 HG12 VAL A 42 45.672 -32.178 19.416 1.00 4.39 H new ATOM 0 HG13 VAL A 42 44.794 -31.777 20.911 1.00 4.39 H new ATOM 0 HG21 VAL A 42 45.031 -34.602 22.140 1.00 4.39 H new ATOM 0 HG22 VAL A 42 43.520 -33.663 22.128 1.00 4.39 H new ATOM 0 HG23 VAL A 42 43.557 -35.298 21.426 1.00 4.39 H new ATOM 540 N GLN A 43 44.139 -34.358 17.310 1.00 3.28 N ATOM 541 CA GLN A 43 44.559 -34.295 15.914 1.00 3.01 C ATOM 542 C GLN A 43 43.375 -33.998 15.005 1.00 2.82 C ATOM 543 O GLN A 43 43.509 -33.287 14.011 1.00 2.61 O ATOM 544 CB GLN A 43 45.234 -35.603 15.499 1.00 3.07 C ATOM 545 CG GLN A 43 46.364 -36.031 16.425 1.00 3.47 C ATOM 546 CD GLN A 43 47.447 -34.976 16.554 1.00 3.77 C ATOM 547 OE1 GLN A 43 47.206 -33.977 17.395 1.00 4.06 O flip ATOM 548 NE2 GLN A 43 48.489 -35.059 15.904 1.00 4.24 N flip ATOM 0 H GLN A 43 44.262 -35.270 17.750 1.00 3.28 H new ATOM 0 HA GLN A 43 45.279 -33.483 15.812 1.00 3.01 H new ATOM 0 HB2 GLN A 43 44.484 -36.394 15.466 1.00 3.07 H new ATOM 0 HB3 GLN A 43 45.627 -35.494 14.488 1.00 3.07 H new ATOM 0 HG2 GLN A 43 45.956 -36.250 17.412 1.00 3.47 H new ATOM 0 HG3 GLN A 43 46.805 -36.955 16.050 1.00 3.47 H new ATOM 0 HE21 GLN A 43 48.633 -35.844 15.269 1.00 4.24 H new ATOM 0 HE22 GLN A 43 49.209 -34.343 16.000 1.00 4.24 H new ATOM 557 N ASN A 44 42.213 -34.533 15.360 1.00 2.97 N ATOM 558 CA ASN A 44 41.000 -34.312 14.581 1.00 2.93 C ATOM 559 C ASN A 44 40.607 -32.842 14.621 1.00 2.82 C ATOM 560 O ASN A 44 40.056 -32.312 13.660 1.00 2.66 O ATOM 561 CB ASN A 44 39.852 -35.172 15.114 1.00 3.26 C ATOM 562 CG ASN A 44 38.538 -34.882 14.414 1.00 3.37 C ATOM 563 OD1 ASN A 44 38.427 -35.013 13.195 1.00 3.42 O ATOM 564 ND2 ASN A 44 37.533 -34.480 15.185 1.00 3.83 N ATOM 0 H ASN A 44 42.085 -35.123 16.182 1.00 2.97 H new ATOM 0 HA ASN A 44 41.201 -34.599 13.549 1.00 2.93 H new ATOM 0 HB2 ASN A 44 40.102 -36.225 14.989 1.00 3.26 H new ATOM 0 HB3 ASN A 44 39.737 -34.997 16.184 1.00 3.26 H new ATOM 0 HD21 ASN A 44 36.626 -34.267 14.770 1.00 3.83 H new ATOM 0 HD22 ASN A 44 37.669 -34.385 16.191 1.00 3.83 H new ATOM 571 N LEU A 45 40.897 -32.188 15.742 1.00 3.00 N ATOM 572 CA LEU A 45 40.581 -30.778 15.907 1.00 3.01 C ATOM 573 C LEU A 45 41.396 -29.940 14.928 1.00 2.73 C ATOM 574 O LEU A 45 40.838 -29.259 14.068 1.00 2.57 O ATOM 575 CB LEU A 45 40.858 -30.342 17.351 1.00 3.36 C ATOM 576 CG LEU A 45 39.965 -29.215 17.882 1.00 3.84 C ATOM 577 CD1 LEU A 45 38.492 -29.552 17.691 1.00 4.23 C ATOM 578 CD2 LEU A 45 40.265 -28.948 19.351 1.00 4.27 C ATOM 0 H LEU A 45 41.351 -32.615 16.549 1.00 3.00 H new ATOM 0 HA LEU A 45 39.523 -30.624 15.696 1.00 3.01 H new ATOM 0 HB2 LEU A 45 40.745 -31.209 18.002 1.00 3.36 H new ATOM 0 HB3 LEU A 45 41.898 -30.023 17.423 1.00 3.36 H new ATOM 0 HG LEU A 45 40.182 -28.312 17.312 1.00 3.84 H new ATOM 0 HD11 LEU A 45 37.879 -28.737 18.076 1.00 4.23 H new ATOM 0 HD12 LEU A 45 38.285 -29.692 16.630 1.00 4.23 H new ATOM 0 HD13 LEU A 45 38.256 -30.469 18.230 1.00 4.23 H new ATOM 0 HD21 LEU A 45 39.623 -28.145 19.713 1.00 4.27 H new ATOM 0 HD22 LEU A 45 40.078 -29.852 19.931 1.00 4.27 H new ATOM 0 HD23 LEU A 45 41.309 -28.655 19.462 1.00 4.27 H new ATOM 590 N ARG A 46 42.720 -30.014 15.044 1.00 2.73 N ATOM 591 CA ARG A 46 43.600 -29.270 14.147 1.00 2.59 C ATOM 592 C ARG A 46 43.336 -29.675 12.699 1.00 2.28 C ATOM 593 O ARG A 46 43.418 -28.855 11.783 1.00 2.17 O ATOM 594 CB ARG A 46 45.067 -29.515 14.510 1.00 2.76 C ATOM 595 CG ARG A 46 45.592 -28.575 15.587 1.00 2.97 C ATOM 596 CD ARG A 46 44.951 -28.847 16.940 1.00 3.51 C ATOM 597 NE ARG A 46 43.759 -28.026 17.162 1.00 4.06 N ATOM 598 CZ ARG A 46 43.376 -27.585 18.359 1.00 4.80 C ATOM 599 NH1 ARG A 46 44.074 -27.896 19.444 1.00 5.15 N ATOM 600 NH2 ARG A 46 42.286 -26.838 18.472 1.00 5.49 N ATOM 0 H ARG A 46 43.204 -30.577 15.744 1.00 2.73 H new ATOM 0 HA ARG A 46 43.392 -28.206 14.258 1.00 2.59 H new ATOM 0 HB2 ARG A 46 45.182 -30.544 14.850 1.00 2.76 H new ATOM 0 HB3 ARG A 46 45.678 -29.405 13.614 1.00 2.76 H new ATOM 0 HG2 ARG A 46 46.673 -28.685 15.669 1.00 2.97 H new ATOM 0 HG3 ARG A 46 45.398 -27.543 15.294 1.00 2.97 H new ATOM 0 HD2 ARG A 46 44.682 -29.901 17.007 1.00 3.51 H new ATOM 0 HD3 ARG A 46 45.677 -28.652 17.730 1.00 3.51 H new ATOM 0 HE ARG A 46 43.189 -27.778 16.353 1.00 4.06 H new ATOM 0 HH11 ARG A 46 44.909 -28.476 19.364 1.00 5.15 H new ATOM 0 HH12 ARG A 46 43.775 -27.555 20.358 1.00 5.15 H new ATOM 0 HH21 ARG A 46 41.742 -26.602 17.643 1.00 5.49 H new ATOM 0 HH22 ARG A 46 41.992 -26.500 19.388 1.00 5.49 H new ATOM 614 N LYS A 47 43.009 -30.949 12.507 1.00 2.24 N ATOM 615 CA LYS A 47 42.718 -31.482 11.183 1.00 2.12 C ATOM 616 C LYS A 47 41.471 -30.822 10.608 1.00 2.02 C ATOM 617 O LYS A 47 41.485 -30.318 9.484 1.00 1.89 O ATOM 618 CB LYS A 47 42.534 -33.000 11.267 1.00 2.32 C ATOM 619 CG LYS A 47 42.148 -33.661 9.953 1.00 2.70 C ATOM 620 CD LYS A 47 40.755 -34.276 10.017 1.00 3.12 C ATOM 621 CE LYS A 47 40.777 -35.651 10.673 1.00 3.66 C ATOM 622 NZ LYS A 47 40.140 -36.686 9.814 1.00 4.30 N ATOM 0 H LYS A 47 42.939 -31.635 13.259 1.00 2.24 H new ATOM 0 HA LYS A 47 43.555 -31.264 10.519 1.00 2.12 H new ATOM 0 HB2 LYS A 47 43.461 -33.447 11.625 1.00 2.32 H new ATOM 0 HB3 LYS A 47 41.767 -33.220 12.009 1.00 2.32 H new ATOM 0 HG2 LYS A 47 42.183 -32.924 9.151 1.00 2.70 H new ATOM 0 HG3 LYS A 47 42.876 -34.434 9.707 1.00 2.70 H new ATOM 0 HD2 LYS A 47 40.091 -33.616 10.576 1.00 3.12 H new ATOM 0 HD3 LYS A 47 40.347 -34.360 9.010 1.00 3.12 H new ATOM 0 HE2 LYS A 47 41.808 -35.937 10.882 1.00 3.66 H new ATOM 0 HE3 LYS A 47 40.259 -35.605 11.631 1.00 3.66 H new ATOM 0 HZ1 LYS A 47 40.265 -37.623 10.248 1.00 4.30 H new ATOM 0 HZ2 LYS A 47 39.125 -36.481 9.719 1.00 4.30 H new ATOM 0 HZ3 LYS A 47 40.585 -36.678 8.874 1.00 4.30 H new ATOM 636 N LYS A 48 40.398 -30.805 11.394 1.00 2.17 N ATOM 637 CA LYS A 48 39.154 -30.182 10.966 1.00 2.20 C ATOM 638 C LYS A 48 39.401 -28.712 10.664 1.00 2.02 C ATOM 639 O LYS A 48 38.931 -28.192 9.655 1.00 1.90 O ATOM 640 CB LYS A 48 38.072 -30.331 12.043 1.00 2.54 C ATOM 641 CG LYS A 48 36.801 -29.538 11.752 1.00 3.02 C ATOM 642 CD LYS A 48 36.011 -30.136 10.594 1.00 3.19 C ATOM 643 CE LYS A 48 35.196 -29.077 9.860 1.00 3.73 C ATOM 644 NZ LYS A 48 35.871 -28.618 8.614 1.00 4.17 N ATOM 0 H LYS A 48 40.367 -31.215 12.328 1.00 2.17 H new ATOM 0 HA LYS A 48 38.801 -30.681 10.064 1.00 2.20 H new ATOM 0 HB2 LYS A 48 37.816 -31.386 12.144 1.00 2.54 H new ATOM 0 HB3 LYS A 48 38.479 -30.008 13.001 1.00 2.54 H new ATOM 0 HG2 LYS A 48 36.175 -29.514 12.644 1.00 3.02 H new ATOM 0 HG3 LYS A 48 37.062 -28.506 11.519 1.00 3.02 H new ATOM 0 HD2 LYS A 48 36.696 -30.616 9.896 1.00 3.19 H new ATOM 0 HD3 LYS A 48 35.344 -30.912 10.971 1.00 3.19 H new ATOM 0 HE2 LYS A 48 34.215 -29.482 9.613 1.00 3.73 H new ATOM 0 HE3 LYS A 48 35.032 -28.224 10.519 1.00 3.73 H new ATOM 0 HZ1 LYS A 48 35.247 -27.962 8.102 1.00 4.17 H new ATOM 0 HZ2 LYS A 48 36.758 -28.132 8.858 1.00 4.17 H new ATOM 0 HZ3 LYS A 48 36.081 -29.438 8.010 1.00 4.17 H new ATOM 658 N HIS A 49 40.152 -28.056 11.549 1.00 2.10 N ATOM 659 CA HIS A 49 40.484 -26.646 11.390 1.00 2.10 C ATOM 660 C HIS A 49 41.049 -26.376 10.002 1.00 1.82 C ATOM 661 O HIS A 49 40.562 -25.504 9.289 1.00 1.72 O ATOM 662 CB HIS A 49 41.502 -26.211 12.449 1.00 2.37 C ATOM 663 CG HIS A 49 40.998 -26.318 13.852 1.00 2.66 C ATOM 664 ND1 HIS A 49 39.741 -26.768 14.184 1.00 2.97 N ATOM 665 CD2 HIS A 49 41.610 -26.015 15.024 1.00 3.22 C ATOM 666 CE1 HIS A 49 39.628 -26.723 15.516 1.00 3.47 C ATOM 667 NE2 HIS A 49 40.736 -26.273 16.074 1.00 3.60 N ATOM 0 H HIS A 49 40.543 -28.485 12.388 1.00 2.10 H new ATOM 0 HA HIS A 49 39.567 -26.071 11.516 1.00 2.10 H new ATOM 0 HB2 HIS A 49 42.400 -26.821 12.348 1.00 2.37 H new ATOM 0 HB3 HIS A 49 41.794 -25.179 12.256 1.00 2.37 H new ATOM 0 HD1 HIS A 49 39.023 -27.080 13.531 1.00 2.97 H new ATOM 0 HD2 HIS A 49 42.616 -25.634 15.125 1.00 3.22 H new ATOM 0 HE1 HIS A 49 38.745 -27.017 16.064 1.00 3.47 H new ATOM 675 N LYS A 50 42.089 -27.122 9.625 1.00 1.76 N ATOM 676 CA LYS A 50 42.714 -26.948 8.323 1.00 1.67 C ATOM 677 C LYS A 50 41.665 -26.930 7.216 1.00 1.49 C ATOM 678 O LYS A 50 41.685 -26.064 6.340 1.00 1.46 O ATOM 679 CB LYS A 50 43.732 -28.064 8.075 1.00 1.79 C ATOM 680 CG LYS A 50 44.522 -27.892 6.788 1.00 2.13 C ATOM 681 CD LYS A 50 45.342 -26.606 6.787 1.00 2.64 C ATOM 682 CE LYS A 50 46.305 -26.540 7.966 1.00 3.07 C ATOM 683 NZ LYS A 50 45.777 -25.696 9.074 1.00 3.17 N ATOM 0 H LYS A 50 42.511 -27.848 10.204 1.00 1.76 H new ATOM 0 HA LYS A 50 43.232 -25.989 8.315 1.00 1.67 H new ATOM 0 HB2 LYS A 50 44.426 -28.105 8.915 1.00 1.79 H new ATOM 0 HB3 LYS A 50 43.210 -29.021 8.046 1.00 1.79 H new ATOM 0 HG2 LYS A 50 45.187 -28.746 6.654 1.00 2.13 H new ATOM 0 HG3 LYS A 50 43.837 -27.885 5.940 1.00 2.13 H new ATOM 0 HD2 LYS A 50 45.904 -26.536 5.856 1.00 2.64 H new ATOM 0 HD3 LYS A 50 44.670 -25.748 6.819 1.00 2.64 H new ATOM 0 HE2 LYS A 50 46.493 -27.548 8.337 1.00 3.07 H new ATOM 0 HE3 LYS A 50 47.262 -26.140 7.630 1.00 3.07 H new ATOM 0 HZ1 LYS A 50 46.571 -25.302 9.619 1.00 3.17 H new ATOM 0 HZ2 LYS A 50 45.209 -24.920 8.679 1.00 3.17 H new ATOM 0 HZ3 LYS A 50 45.182 -26.276 9.700 1.00 3.17 H new ATOM 697 N ARG A 51 40.739 -27.881 7.271 1.00 1.50 N ATOM 698 CA ARG A 51 39.674 -27.964 6.279 1.00 1.50 C ATOM 699 C ARG A 51 38.725 -26.780 6.417 1.00 1.38 C ATOM 700 O ARG A 51 38.191 -26.277 5.428 1.00 1.27 O ATOM 701 CB ARG A 51 38.905 -29.280 6.431 1.00 1.77 C ATOM 702 CG ARG A 51 39.088 -30.231 5.257 1.00 2.17 C ATOM 703 CD ARG A 51 37.981 -31.271 5.195 1.00 2.52 C ATOM 704 NE ARG A 51 36.652 -30.666 5.276 1.00 2.87 N ATOM 705 CZ ARG A 51 36.076 -30.001 4.279 1.00 3.47 C ATOM 706 NH1 ARG A 51 36.699 -29.865 3.115 1.00 4.13 N ATOM 707 NH2 ARG A 51 34.873 -29.471 4.447 1.00 3.79 N ATOM 0 H ARG A 51 40.704 -28.603 7.990 1.00 1.50 H new ATOM 0 HA ARG A 51 40.124 -27.935 5.287 1.00 1.50 H new ATOM 0 HB2 ARG A 51 39.230 -29.777 7.345 1.00 1.77 H new ATOM 0 HB3 ARG A 51 37.844 -29.060 6.548 1.00 1.77 H new ATOM 0 HG2 ARG A 51 39.105 -29.662 4.327 1.00 2.17 H new ATOM 0 HG3 ARG A 51 40.053 -30.731 5.342 1.00 2.17 H new ATOM 0 HD2 ARG A 51 38.066 -31.835 4.266 1.00 2.52 H new ATOM 0 HD3 ARG A 51 38.106 -31.982 6.012 1.00 2.52 H new ATOM 0 HE ARG A 51 36.136 -30.760 6.151 1.00 2.87 H new ATOM 0 HH11 ARG A 51 37.625 -30.272 2.981 1.00 4.13 H new ATOM 0 HH12 ARG A 51 36.252 -29.354 2.354 1.00 4.13 H new ATOM 0 HH21 ARG A 51 34.391 -29.574 5.340 1.00 3.79 H new ATOM 0 HH22 ARG A 51 34.429 -28.960 3.683 1.00 3.79 H new ATOM 721 N LEU A 52 38.528 -26.336 7.653 1.00 1.51 N ATOM 722 CA LEU A 52 37.650 -25.206 7.934 1.00 1.55 C ATOM 723 C LEU A 52 38.211 -23.933 7.316 1.00 1.33 C ATOM 724 O LEU A 52 37.477 -23.148 6.727 1.00 1.22 O ATOM 725 CB LEU A 52 37.474 -25.030 9.445 1.00 1.88 C ATOM 726 CG LEU A 52 36.401 -24.018 9.864 1.00 2.21 C ATOM 727 CD1 LEU A 52 35.023 -24.470 9.398 1.00 2.58 C ATOM 728 CD2 LEU A 52 36.417 -23.818 11.373 1.00 2.90 C ATOM 0 H LEU A 52 38.966 -26.743 8.479 1.00 1.51 H new ATOM 0 HA LEU A 52 36.674 -25.407 7.492 1.00 1.55 H new ATOM 0 HB2 LEU A 52 37.228 -25.998 9.881 1.00 1.88 H new ATOM 0 HB3 LEU A 52 38.428 -24.722 9.872 1.00 1.88 H new ATOM 0 HG LEU A 52 36.626 -23.064 9.388 1.00 2.21 H new ATOM 0 HD11 LEU A 52 34.277 -23.738 9.706 1.00 2.58 H new ATOM 0 HD12 LEU A 52 35.017 -24.559 8.312 1.00 2.58 H new ATOM 0 HD13 LEU A 52 34.788 -25.437 9.843 1.00 2.58 H new ATOM 0 HD21 LEU A 52 35.649 -23.097 11.653 1.00 2.90 H new ATOM 0 HD22 LEU A 52 36.219 -24.769 11.868 1.00 2.90 H new ATOM 0 HD23 LEU A 52 37.394 -23.445 11.680 1.00 2.90 H new ATOM 740 N GLU A 53 39.521 -23.741 7.438 1.00 1.38 N ATOM 741 CA GLU A 53 40.171 -22.566 6.873 1.00 1.39 C ATOM 742 C GLU A 53 39.882 -22.477 5.381 1.00 1.16 C ATOM 743 O GLU A 53 39.423 -21.446 4.888 1.00 1.13 O ATOM 744 CB GLU A 53 41.682 -22.615 7.120 1.00 1.66 C ATOM 745 CG GLU A 53 42.066 -22.525 8.591 1.00 2.20 C ATOM 746 CD GLU A 53 41.243 -21.500 9.349 1.00 2.62 C ATOM 747 OE1 GLU A 53 40.005 -21.492 9.181 1.00 3.17 O ATOM 748 OE2 GLU A 53 41.833 -20.710 10.115 1.00 3.08 O ATOM 0 H GLU A 53 40.150 -24.382 7.921 1.00 1.38 H new ATOM 0 HA GLU A 53 39.772 -21.678 7.364 1.00 1.39 H new ATOM 0 HB2 GLU A 53 42.079 -23.542 6.706 1.00 1.66 H new ATOM 0 HB3 GLU A 53 42.156 -21.796 6.579 1.00 1.66 H new ATOM 0 HG2 GLU A 53 41.939 -23.503 9.056 1.00 2.20 H new ATOM 0 HG3 GLU A 53 43.122 -22.268 8.672 1.00 2.20 H new ATOM 755 N ALA A 54 40.130 -23.574 4.668 1.00 1.13 N ATOM 756 CA ALA A 54 39.868 -23.622 3.237 1.00 1.16 C ATOM 757 C ALA A 54 38.406 -23.288 2.968 1.00 0.99 C ATOM 758 O ALA A 54 38.088 -22.436 2.136 1.00 1.03 O ATOM 759 CB ALA A 54 40.218 -24.993 2.678 1.00 1.35 C ATOM 0 H ALA A 54 40.510 -24.436 5.059 1.00 1.13 H new ATOM 0 HA ALA A 54 40.494 -22.883 2.737 1.00 1.16 H new ATOM 0 HB1 ALA A 54 40.016 -25.012 1.607 1.00 1.35 H new ATOM 0 HB2 ALA A 54 41.274 -25.198 2.852 1.00 1.35 H new ATOM 0 HB3 ALA A 54 39.615 -25.753 3.174 1.00 1.35 H new ATOM 765 N GLU A 55 37.524 -23.959 3.702 1.00 0.99 N ATOM 766 CA GLU A 55 36.088 -23.739 3.579 1.00 1.06 C ATOM 767 C GLU A 55 35.761 -22.253 3.714 1.00 0.88 C ATOM 768 O GLU A 55 35.108 -21.669 2.849 1.00 0.90 O ATOM 769 CB GLU A 55 35.349 -24.549 4.650 1.00 1.35 C ATOM 770 CG GLU A 55 35.048 -25.980 4.230 1.00 1.84 C ATOM 771 CD GLU A 55 34.454 -26.810 5.353 1.00 1.93 C ATOM 772 OE1 GLU A 55 35.167 -27.065 6.347 1.00 2.60 O ATOM 773 OE2 GLU A 55 33.276 -27.208 5.239 1.00 2.20 O ATOM 0 H GLU A 55 37.782 -24.664 4.393 1.00 0.99 H new ATOM 0 HA GLU A 55 35.761 -24.071 2.593 1.00 1.06 H new ATOM 0 HB2 GLU A 55 35.948 -24.565 5.560 1.00 1.35 H new ATOM 0 HB3 GLU A 55 34.413 -24.046 4.893 1.00 1.35 H new ATOM 0 HG2 GLU A 55 34.356 -25.969 3.388 1.00 1.84 H new ATOM 0 HG3 GLU A 55 35.967 -26.452 3.882 1.00 1.84 H new ATOM 780 N LEU A 56 36.231 -21.648 4.805 1.00 0.90 N ATOM 781 CA LEU A 56 36.006 -20.232 5.070 1.00 0.98 C ATOM 782 C LEU A 56 36.397 -19.378 3.869 1.00 0.91 C ATOM 783 O LEU A 56 35.672 -18.461 3.487 1.00 0.99 O ATOM 784 CB LEU A 56 36.802 -19.794 6.302 1.00 1.26 C ATOM 785 CG LEU A 56 36.480 -18.388 6.819 1.00 2.02 C ATOM 786 CD1 LEU A 56 35.028 -18.301 7.271 1.00 2.67 C ATOM 787 CD2 LEU A 56 37.420 -18.006 7.953 1.00 2.55 C ATOM 0 H LEU A 56 36.775 -22.125 5.524 1.00 0.90 H new ATOM 0 HA LEU A 56 34.942 -20.089 5.258 1.00 0.98 H new ATOM 0 HB2 LEU A 56 36.622 -20.509 7.105 1.00 1.26 H new ATOM 0 HB3 LEU A 56 37.865 -19.842 6.065 1.00 1.26 H new ATOM 0 HG LEU A 56 36.625 -17.681 6.002 1.00 2.02 H new ATOM 0 HD11 LEU A 56 34.820 -17.295 7.635 1.00 2.67 H new ATOM 0 HD12 LEU A 56 34.371 -18.526 6.431 1.00 2.67 H new ATOM 0 HD13 LEU A 56 34.852 -19.020 8.072 1.00 2.67 H new ATOM 0 HD21 LEU A 56 37.175 -17.004 8.307 1.00 2.55 H new ATOM 0 HD22 LEU A 56 37.310 -18.717 8.772 1.00 2.55 H new ATOM 0 HD23 LEU A 56 38.449 -18.023 7.594 1.00 2.55 H new ATOM 799 N ALA A 57 37.550 -19.679 3.285 1.00 0.92 N ATOM 800 CA ALA A 57 38.040 -18.935 2.131 1.00 1.14 C ATOM 801 C ALA A 57 36.967 -18.805 1.051 1.00 1.08 C ATOM 802 O ALA A 57 36.664 -17.704 0.600 1.00 1.22 O ATOM 803 CB ALA A 57 39.286 -19.599 1.562 1.00 1.37 C ATOM 0 H ALA A 57 38.164 -20.434 3.592 1.00 0.92 H new ATOM 0 HA ALA A 57 38.296 -17.931 2.468 1.00 1.14 H new ATOM 0 HB1 ALA A 57 39.640 -19.032 0.701 1.00 1.37 H new ATOM 0 HB2 ALA A 57 40.065 -19.625 2.324 1.00 1.37 H new ATOM 0 HB3 ALA A 57 39.047 -20.617 1.253 1.00 1.37 H new ATOM 809 N ALA A 58 36.406 -19.938 0.638 1.00 1.03 N ATOM 810 CA ALA A 58 35.373 -19.959 -0.401 1.00 1.19 C ATOM 811 C ALA A 58 34.238 -18.971 -0.119 1.00 1.03 C ATOM 812 O ALA A 58 33.673 -18.394 -1.047 1.00 1.17 O ATOM 813 CB ALA A 58 34.818 -21.367 -0.559 1.00 1.43 C ATOM 0 H ALA A 58 36.648 -20.858 1.006 1.00 1.03 H new ATOM 0 HA ALA A 58 35.846 -19.646 -1.332 1.00 1.19 H new ATOM 0 HB1 ALA A 58 34.051 -21.371 -1.334 1.00 1.43 H new ATOM 0 HB2 ALA A 58 35.623 -22.046 -0.842 1.00 1.43 H new ATOM 0 HB3 ALA A 58 34.382 -21.694 0.385 1.00 1.43 H new ATOM 819 N HIS A 59 33.892 -18.791 1.152 1.00 0.87 N ATOM 820 CA HIS A 59 32.819 -17.878 1.523 1.00 0.90 C ATOM 821 C HIS A 59 33.144 -16.446 1.128 1.00 0.80 C ATOM 822 O HIS A 59 32.249 -15.661 0.841 1.00 0.89 O ATOM 823 CB HIS A 59 32.551 -17.935 3.025 1.00 1.13 C ATOM 824 CG HIS A 59 32.271 -19.310 3.526 1.00 1.46 C ATOM 825 ND1 HIS A 59 33.246 -20.238 3.783 1.00 2.16 N ATOM 826 CD2 HIS A 59 31.093 -19.907 3.830 1.00 1.68 C ATOM 827 CE1 HIS A 59 32.652 -21.349 4.228 1.00 2.61 C ATOM 828 NE2 HIS A 59 31.345 -21.199 4.285 1.00 2.36 N ATOM 0 H HIS A 59 34.338 -19.264 1.939 1.00 0.87 H new ATOM 0 HA HIS A 59 31.928 -18.198 0.983 1.00 0.90 H new ATOM 0 HB2 HIS A 59 33.414 -17.532 3.556 1.00 1.13 H new ATOM 0 HB3 HIS A 59 31.703 -17.291 3.260 1.00 1.13 H new ATOM 0 HD2 HIS A 59 30.117 -19.454 3.735 1.00 1.68 H new ATOM 0 HE1 HIS A 59 33.175 -22.252 4.505 1.00 2.61 H new ATOM 0 HE2 HIS A 59 30.659 -21.886 4.598 1.00 2.36 H new ATOM 836 N GLU A 60 34.420 -16.088 1.131 1.00 0.87 N ATOM 837 CA GLU A 60 34.785 -14.725 0.779 1.00 1.09 C ATOM 838 C GLU A 60 34.356 -14.411 -0.658 1.00 1.11 C ATOM 839 O GLU A 60 33.487 -13.576 -0.868 1.00 1.12 O ATOM 840 CB GLU A 60 36.289 -14.501 0.974 1.00 1.39 C ATOM 841 CG GLU A 60 36.651 -13.884 2.317 1.00 1.92 C ATOM 842 CD GLU A 60 37.487 -14.813 3.177 1.00 2.39 C ATOM 843 OE1 GLU A 60 37.029 -15.941 3.453 1.00 2.70 O ATOM 844 OE2 GLU A 60 38.602 -14.413 3.573 1.00 3.01 O ATOM 0 H GLU A 60 35.199 -16.702 1.366 1.00 0.87 H new ATOM 0 HA GLU A 60 34.259 -14.040 1.444 1.00 1.09 H new ATOM 0 HB2 GLU A 60 36.805 -15.456 0.873 1.00 1.39 H new ATOM 0 HB3 GLU A 60 36.656 -13.854 0.177 1.00 1.39 H new ATOM 0 HG2 GLU A 60 37.199 -12.956 2.151 1.00 1.92 H new ATOM 0 HG3 GLU A 60 35.737 -13.623 2.851 1.00 1.92 H new ATOM 851 N PRO A 61 34.934 -15.074 -1.675 1.00 1.23 N ATOM 852 CA PRO A 61 34.560 -14.820 -3.069 1.00 1.42 C ATOM 853 C PRO A 61 33.082 -15.071 -3.361 1.00 1.32 C ATOM 854 O PRO A 61 32.460 -14.328 -4.121 1.00 1.44 O ATOM 855 CB PRO A 61 35.418 -15.811 -3.867 1.00 1.60 C ATOM 856 CG PRO A 61 36.541 -16.175 -2.963 1.00 1.59 C ATOM 857 CD PRO A 61 35.998 -16.091 -1.566 1.00 1.29 C ATOM 0 HA PRO A 61 34.723 -13.773 -3.325 1.00 1.42 H new ATOM 0 HB2 PRO A 61 34.841 -16.691 -4.151 1.00 1.60 H new ATOM 0 HB3 PRO A 61 35.785 -15.360 -4.789 1.00 1.60 H new ATOM 0 HG2 PRO A 61 36.905 -17.179 -3.179 1.00 1.59 H new ATOM 0 HG3 PRO A 61 37.383 -15.495 -3.095 1.00 1.59 H new ATOM 0 HD2 PRO A 61 35.605 -17.050 -1.229 1.00 1.29 H new ATOM 0 HD3 PRO A 61 36.767 -15.794 -0.853 1.00 1.29 H new ATOM 865 N ALA A 62 32.533 -16.132 -2.783 1.00 1.18 N ATOM 866 CA ALA A 62 31.136 -16.495 -3.021 1.00 1.22 C ATOM 867 C ALA A 62 30.153 -15.614 -2.254 1.00 1.00 C ATOM 868 O ALA A 62 29.195 -15.099 -2.830 1.00 1.06 O ATOM 869 CB ALA A 62 30.908 -17.959 -2.672 1.00 1.31 C ATOM 0 H ALA A 62 33.030 -16.756 -2.147 1.00 1.18 H new ATOM 0 HA ALA A 62 30.945 -16.333 -4.082 1.00 1.22 H new ATOM 0 HB1 ALA A 62 29.865 -18.218 -2.853 1.00 1.31 H new ATOM 0 HB2 ALA A 62 31.550 -18.585 -3.292 1.00 1.31 H new ATOM 0 HB3 ALA A 62 31.146 -18.124 -1.621 1.00 1.31 H new ATOM 875 N ILE A 63 30.368 -15.469 -0.955 1.00 0.82 N ATOM 876 CA ILE A 63 29.465 -14.679 -0.121 1.00 0.73 C ATOM 877 C ILE A 63 29.680 -13.176 -0.302 1.00 0.73 C ATOM 878 O ILE A 63 28.709 -12.418 -0.343 1.00 0.73 O ATOM 879 CB ILE A 63 29.591 -15.052 1.381 1.00 0.79 C ATOM 880 CG1 ILE A 63 29.683 -16.578 1.569 1.00 1.08 C ATOM 881 CG2 ILE A 63 28.415 -14.498 2.175 1.00 0.96 C ATOM 882 CD1 ILE A 63 28.368 -17.303 1.415 1.00 0.67 C ATOM 0 H ILE A 63 31.154 -15.884 -0.455 1.00 0.82 H new ATOM 0 HA ILE A 63 28.456 -14.922 -0.455 1.00 0.73 H new ATOM 0 HB ILE A 63 30.511 -14.604 1.757 1.00 0.79 H new ATOM 0 HG12 ILE A 63 30.393 -16.979 0.846 1.00 1.08 H new ATOM 0 HG13 ILE A 63 30.086 -16.787 2.560 1.00 1.08 H new ATOM 0 HG21 ILE A 63 28.524 -14.771 3.225 1.00 0.96 H new ATOM 0 HG22 ILE A 63 28.393 -13.412 2.083 1.00 0.96 H new ATOM 0 HG23 ILE A 63 27.485 -14.914 1.786 1.00 0.96 H new ATOM 0 HD11 ILE A 63 28.522 -18.372 1.563 1.00 0.67 H new ATOM 0 HD12 ILE A 63 27.659 -16.933 2.156 1.00 0.67 H new ATOM 0 HD13 ILE A 63 27.971 -17.129 0.415 1.00 0.67 H new ATOM 894 N GLN A 64 30.935 -12.733 -0.433 1.00 0.83 N ATOM 895 CA GLN A 64 31.197 -11.306 -0.622 1.00 0.95 C ATOM 896 C GLN A 64 30.644 -10.850 -1.961 1.00 0.95 C ATOM 897 O GLN A 64 29.947 -9.845 -2.040 1.00 0.92 O ATOM 898 CB GLN A 64 32.692 -10.977 -0.538 1.00 1.17 C ATOM 899 CG GLN A 64 33.318 -11.287 0.816 1.00 1.62 C ATOM 900 CD GLN A 64 34.819 -11.060 0.832 1.00 2.58 C ATOM 901 OE1 GLN A 64 35.489 -11.168 -0.195 1.00 3.24 O ATOM 902 NE2 GLN A 64 35.356 -10.741 2.004 1.00 3.27 N ATOM 0 H GLN A 64 31.765 -13.326 -0.412 1.00 0.83 H new ATOM 0 HA GLN A 64 30.697 -10.773 0.186 1.00 0.95 H new ATOM 0 HB2 GLN A 64 33.221 -11.538 -1.309 1.00 1.17 H new ATOM 0 HB3 GLN A 64 32.834 -9.919 -0.759 1.00 1.17 H new ATOM 0 HG2 GLN A 64 32.852 -10.663 1.579 1.00 1.62 H new ATOM 0 HG3 GLN A 64 33.108 -12.324 1.080 1.00 1.62 H new ATOM 0 HE21 GLN A 64 34.765 -10.662 2.831 1.00 3.27 H new ATOM 0 HE22 GLN A 64 36.360 -10.575 2.077 1.00 3.27 H new ATOM 911 N GLY A 65 30.947 -11.603 -3.014 1.00 1.05 N ATOM 912 CA GLY A 65 30.454 -11.258 -4.332 1.00 1.14 C ATOM 913 C GLY A 65 28.989 -10.870 -4.307 1.00 0.94 C ATOM 914 O GLY A 65 28.606 -9.828 -4.840 1.00 0.94 O ATOM 0 H GLY A 65 31.524 -12.443 -2.977 1.00 1.05 H new ATOM 0 HA2 GLY A 65 31.041 -10.432 -4.734 1.00 1.14 H new ATOM 0 HA3 GLY A 65 30.593 -12.105 -5.004 1.00 1.14 H new ATOM 918 N VAL A 66 28.166 -11.701 -3.670 1.00 0.83 N ATOM 919 CA VAL A 66 26.737 -11.433 -3.580 1.00 0.72 C ATOM 920 C VAL A 66 26.449 -10.138 -2.822 1.00 0.59 C ATOM 921 O VAL A 66 25.819 -9.226 -3.360 1.00 0.56 O ATOM 922 CB VAL A 66 25.993 -12.607 -2.908 1.00 0.77 C ATOM 923 CG1 VAL A 66 24.501 -12.321 -2.808 1.00 1.46 C ATOM 924 CG2 VAL A 66 26.245 -13.903 -3.671 1.00 1.22 C ATOM 0 H VAL A 66 28.465 -12.561 -3.211 1.00 0.83 H new ATOM 0 HA VAL A 66 26.372 -11.319 -4.601 1.00 0.72 H new ATOM 0 HB VAL A 66 26.380 -12.722 -1.896 1.00 0.77 H new ATOM 0 HG11 VAL A 66 24.000 -13.163 -2.331 1.00 1.46 H new ATOM 0 HG12 VAL A 66 24.342 -11.421 -2.214 1.00 1.46 H new ATOM 0 HG13 VAL A 66 24.091 -12.174 -3.807 1.00 1.46 H new ATOM 0 HG21 VAL A 66 25.714 -14.721 -3.184 1.00 1.22 H new ATOM 0 HG22 VAL A 66 25.888 -13.797 -4.696 1.00 1.22 H new ATOM 0 HG23 VAL A 66 27.313 -14.119 -3.679 1.00 1.22 H new ATOM 934 N LEU A 67 26.911 -10.053 -1.577 1.00 0.58 N ATOM 935 CA LEU A 67 26.684 -8.856 -0.767 1.00 0.62 C ATOM 936 C LEU A 67 27.148 -7.596 -1.499 1.00 0.69 C ATOM 937 O LEU A 67 26.456 -6.579 -1.493 1.00 0.71 O ATOM 938 CB LEU A 67 27.375 -8.981 0.601 1.00 0.74 C ATOM 939 CG LEU A 67 28.835 -8.513 0.665 1.00 1.29 C ATOM 940 CD1 LEU A 67 28.915 -6.994 0.776 1.00 2.13 C ATOM 941 CD2 LEU A 67 29.556 -9.173 1.832 1.00 1.90 C ATOM 0 H LEU A 67 27.440 -10.790 -1.110 1.00 0.58 H new ATOM 0 HA LEU A 67 25.611 -8.767 -0.598 1.00 0.62 H new ATOM 0 HB2 LEU A 67 26.799 -8.410 1.330 1.00 0.74 H new ATOM 0 HB3 LEU A 67 27.335 -10.025 0.911 1.00 0.74 H new ATOM 0 HG LEU A 67 29.328 -8.812 -0.260 1.00 1.29 H new ATOM 0 HD11 LEU A 67 29.960 -6.687 0.820 1.00 2.13 H new ATOM 0 HD12 LEU A 67 28.440 -6.540 -0.093 1.00 2.13 H new ATOM 0 HD13 LEU A 67 28.403 -6.668 1.681 1.00 2.13 H new ATOM 0 HD21 LEU A 67 30.590 -8.830 1.862 1.00 1.90 H new ATOM 0 HD22 LEU A 67 29.058 -8.907 2.765 1.00 1.90 H new ATOM 0 HD23 LEU A 67 29.537 -10.256 1.706 1.00 1.90 H new ATOM 953 N ASP A 68 28.318 -7.669 -2.130 1.00 0.79 N ATOM 954 CA ASP A 68 28.867 -6.535 -2.868 1.00 0.94 C ATOM 955 C ASP A 68 27.902 -6.070 -3.950 1.00 0.86 C ATOM 956 O ASP A 68 27.593 -4.881 -4.043 1.00 0.91 O ATOM 957 CB ASP A 68 30.218 -6.903 -3.488 1.00 1.12 C ATOM 958 CG ASP A 68 30.749 -5.812 -4.400 1.00 1.55 C ATOM 959 OD1 ASP A 68 31.378 -4.863 -3.887 1.00 2.04 O ATOM 960 OD2 ASP A 68 30.530 -5.904 -5.626 1.00 2.24 O ATOM 0 H ASP A 68 28.905 -8.503 -2.145 1.00 0.79 H new ATOM 0 HA ASP A 68 29.014 -5.715 -2.165 1.00 0.94 H new ATOM 0 HB2 ASP A 68 30.940 -7.093 -2.694 1.00 1.12 H new ATOM 0 HB3 ASP A 68 30.115 -7.829 -4.054 1.00 1.12 H new ATOM 965 N THR A 69 27.422 -7.005 -4.768 1.00 0.80 N ATOM 966 CA THR A 69 26.488 -6.666 -5.830 1.00 0.80 C ATOM 967 C THR A 69 25.202 -6.103 -5.231 1.00 0.67 C ATOM 968 O THR A 69 24.720 -5.047 -5.646 1.00 0.73 O ATOM 969 CB THR A 69 26.191 -7.893 -6.690 1.00 0.86 C ATOM 970 OG1 THR A 69 27.395 -8.544 -7.054 1.00 1.02 O ATOM 971 CG2 THR A 69 25.445 -7.567 -7.966 1.00 0.94 C ATOM 0 H THR A 69 27.664 -7.994 -4.714 1.00 0.80 H new ATOM 0 HA THR A 69 26.938 -5.905 -6.468 1.00 0.80 H new ATOM 0 HB THR A 69 25.559 -8.533 -6.075 1.00 0.86 H new ATOM 0 HG1 THR A 69 27.719 -9.079 -6.299 1.00 1.02 H new ATOM 0 HG21 THR A 69 25.267 -8.484 -8.528 1.00 0.94 H new ATOM 0 HG22 THR A 69 24.491 -7.101 -7.721 1.00 0.94 H new ATOM 0 HG23 THR A 69 26.039 -6.881 -8.570 1.00 0.94 H new ATOM 979 N GLY A 70 24.661 -6.800 -4.232 1.00 0.57 N ATOM 980 CA GLY A 70 23.450 -6.334 -3.580 1.00 0.59 C ATOM 981 C GLY A 70 23.594 -4.899 -3.109 1.00 0.69 C ATOM 982 O GLY A 70 22.688 -4.080 -3.279 1.00 0.79 O ATOM 0 H GLY A 70 25.038 -7.674 -3.865 1.00 0.57 H new ATOM 0 HA2 GLY A 70 22.610 -6.410 -4.271 1.00 0.59 H new ATOM 0 HA3 GLY A 70 23.222 -6.977 -2.730 1.00 0.59 H new ATOM 986 N LYS A 71 24.751 -4.588 -2.523 1.00 0.76 N ATOM 987 CA LYS A 71 25.025 -3.242 -2.039 1.00 0.94 C ATOM 988 C LYS A 71 24.996 -2.253 -3.199 1.00 0.99 C ATOM 989 O LYS A 71 24.509 -1.131 -3.059 1.00 1.12 O ATOM 990 CB LYS A 71 26.387 -3.198 -1.334 1.00 1.05 C ATOM 991 CG LYS A 71 26.534 -2.043 -0.352 1.00 1.35 C ATOM 992 CD LYS A 71 27.221 -0.845 -0.990 1.00 1.91 C ATOM 993 CE LYS A 71 26.676 0.469 -0.452 1.00 2.53 C ATOM 994 NZ LYS A 71 25.266 0.702 -0.872 1.00 3.25 N ATOM 0 H LYS A 71 25.511 -5.252 -2.374 1.00 0.76 H new ATOM 0 HA LYS A 71 24.254 -2.962 -1.321 1.00 0.94 H new ATOM 0 HB2 LYS A 71 26.541 -4.137 -0.802 1.00 1.05 H new ATOM 0 HB3 LYS A 71 27.173 -3.126 -2.086 1.00 1.05 H new ATOM 0 HG2 LYS A 71 25.550 -1.747 0.011 1.00 1.35 H new ATOM 0 HG3 LYS A 71 27.108 -2.373 0.514 1.00 1.35 H new ATOM 0 HD2 LYS A 71 28.293 -0.898 -0.802 1.00 1.91 H new ATOM 0 HD3 LYS A 71 27.084 -0.880 -2.071 1.00 1.91 H new ATOM 0 HE2 LYS A 71 26.734 0.467 0.636 1.00 2.53 H new ATOM 0 HE3 LYS A 71 27.300 1.291 -0.803 1.00 2.53 H new ATOM 0 HZ1 LYS A 71 25.146 1.698 -1.148 1.00 3.25 H new ATOM 0 HZ2 LYS A 71 25.039 0.089 -1.681 1.00 3.25 H new ATOM 0 HZ3 LYS A 71 24.627 0.483 -0.081 1.00 3.25 H new ATOM 1008 N LYS A 72 25.509 -2.686 -4.350 1.00 0.95 N ATOM 1009 CA LYS A 72 25.532 -1.849 -5.548 1.00 1.08 C ATOM 1010 C LYS A 72 24.111 -1.491 -5.969 1.00 1.06 C ATOM 1011 O LYS A 72 23.827 -0.346 -6.316 1.00 1.26 O ATOM 1012 CB LYS A 72 26.261 -2.563 -6.692 1.00 1.14 C ATOM 1013 CG LYS A 72 27.666 -2.031 -6.948 1.00 1.49 C ATOM 1014 CD LYS A 72 28.673 -3.155 -7.156 1.00 2.07 C ATOM 1015 CE LYS A 72 29.997 -2.858 -6.469 1.00 2.89 C ATOM 1016 NZ LYS A 72 29.847 -2.772 -4.989 1.00 3.71 N ATOM 0 H LYS A 72 25.915 -3.613 -4.478 1.00 0.95 H new ATOM 0 HA LYS A 72 26.072 -0.931 -5.316 1.00 1.08 H new ATOM 0 HB2 LYS A 72 26.321 -3.627 -6.465 1.00 1.14 H new ATOM 0 HB3 LYS A 72 25.673 -2.464 -7.604 1.00 1.14 H new ATOM 0 HG2 LYS A 72 27.655 -1.387 -7.827 1.00 1.49 H new ATOM 0 HG3 LYS A 72 27.979 -1.415 -6.105 1.00 1.49 H new ATOM 0 HD2 LYS A 72 28.263 -4.087 -6.768 1.00 2.07 H new ATOM 0 HD3 LYS A 72 28.841 -3.300 -8.223 1.00 2.07 H new ATOM 0 HE2 LYS A 72 30.717 -3.638 -6.716 1.00 2.89 H new ATOM 0 HE3 LYS A 72 30.400 -1.919 -6.848 1.00 2.89 H new ATOM 0 HZ1 LYS A 72 30.575 -3.357 -4.532 1.00 3.71 H new ATOM 0 HZ2 LYS A 72 29.957 -1.783 -4.686 1.00 3.71 H new ATOM 0 HZ3 LYS A 72 28.904 -3.116 -4.715 1.00 3.71 H new ATOM 1030 N LEU A 73 23.219 -2.479 -5.932 1.00 0.89 N ATOM 1031 CA LEU A 73 21.823 -2.255 -6.299 1.00 0.98 C ATOM 1032 C LEU A 73 21.233 -1.149 -5.433 1.00 1.14 C ATOM 1033 O LEU A 73 20.507 -0.281 -5.917 1.00 1.32 O ATOM 1034 CB LEU A 73 20.996 -3.536 -6.133 1.00 0.97 C ATOM 1035 CG LEU A 73 21.610 -4.811 -6.724 1.00 0.92 C ATOM 1036 CD1 LEU A 73 20.556 -5.909 -6.820 1.00 0.96 C ATOM 1037 CD2 LEU A 73 22.226 -4.538 -8.090 1.00 1.52 C ATOM 0 H LEU A 73 23.436 -3.436 -5.654 1.00 0.89 H new ATOM 0 HA LEU A 73 21.790 -1.958 -7.347 1.00 0.98 H new ATOM 0 HB2 LEU A 73 20.823 -3.699 -5.069 1.00 0.97 H new ATOM 0 HB3 LEU A 73 20.021 -3.378 -6.594 1.00 0.97 H new ATOM 0 HG LEU A 73 22.405 -5.147 -6.059 1.00 0.92 H new ATOM 0 HD11 LEU A 73 21.005 -6.809 -7.241 1.00 0.96 H new ATOM 0 HD12 LEU A 73 20.168 -6.129 -5.825 1.00 0.96 H new ATOM 0 HD13 LEU A 73 19.741 -5.576 -7.462 1.00 0.96 H new ATOM 0 HD21 LEU A 73 22.654 -5.459 -8.487 1.00 1.52 H new ATOM 0 HD22 LEU A 73 21.456 -4.174 -8.770 1.00 1.52 H new ATOM 0 HD23 LEU A 73 23.009 -3.786 -7.992 1.00 1.52 H new ATOM 1049 N SER A 74 21.558 -1.194 -4.143 1.00 1.13 N ATOM 1050 CA SER A 74 21.073 -0.205 -3.188 1.00 1.36 C ATOM 1051 C SER A 74 21.545 1.197 -3.561 1.00 1.52 C ATOM 1052 O SER A 74 20.750 2.138 -3.592 1.00 1.76 O ATOM 1053 CB SER A 74 21.546 -0.559 -1.776 1.00 1.37 C ATOM 1054 OG SER A 74 21.283 -1.920 -1.476 1.00 1.67 O ATOM 0 H SER A 74 22.159 -1.910 -3.735 1.00 1.13 H new ATOM 0 HA SER A 74 19.983 -0.216 -3.214 1.00 1.36 H new ATOM 0 HB2 SER A 74 22.615 -0.364 -1.687 1.00 1.37 H new ATOM 0 HB3 SER A 74 21.044 0.080 -1.050 1.00 1.37 H new ATOM 0 HG SER A 74 21.596 -2.122 -0.569 1.00 1.67 H new ATOM 1060 N ASP A 75 22.842 1.331 -3.841 1.00 1.47 N ATOM 1061 CA ASP A 75 23.416 2.622 -4.214 1.00 1.71 C ATOM 1062 C ASP A 75 22.616 3.255 -5.346 1.00 1.86 C ATOM 1063 O ASP A 75 22.361 4.460 -5.343 1.00 2.14 O ATOM 1064 CB ASP A 75 24.879 2.462 -4.639 1.00 1.72 C ATOM 1065 CG ASP A 75 25.770 2.020 -3.494 1.00 1.79 C ATOM 1066 OD1 ASP A 75 25.930 2.797 -2.531 1.00 2.15 O ATOM 1067 OD2 ASP A 75 26.307 0.894 -3.560 1.00 2.34 O ATOM 0 H ASP A 75 23.513 0.563 -3.816 1.00 1.47 H new ATOM 0 HA ASP A 75 23.374 3.275 -3.342 1.00 1.71 H new ATOM 0 HB2 ASP A 75 24.942 1.733 -5.447 1.00 1.72 H new ATOM 0 HB3 ASP A 75 25.245 3.409 -5.035 1.00 1.72 H new ATOM 1072 N ASP A 76 22.221 2.429 -6.309 1.00 1.77 N ATOM 1073 CA ASP A 76 21.440 2.899 -7.449 1.00 2.01 C ATOM 1074 C ASP A 76 19.986 3.115 -7.036 1.00 1.98 C ATOM 1075 O ASP A 76 19.307 3.996 -7.562 1.00 2.28 O ATOM 1076 CB ASP A 76 21.536 1.896 -8.609 1.00 2.20 C ATOM 1077 CG ASP A 76 22.925 1.307 -8.781 1.00 2.36 C ATOM 1078 OD1 ASP A 76 23.800 2.002 -9.333 1.00 2.64 O ATOM 1079 OD2 ASP A 76 23.137 0.147 -8.374 1.00 2.89 O ATOM 0 H ASP A 76 22.429 1.430 -6.323 1.00 1.77 H new ATOM 0 HA ASP A 76 21.846 3.852 -7.788 1.00 2.01 H new ATOM 0 HB2 ASP A 76 20.824 1.088 -8.441 1.00 2.20 H new ATOM 0 HB3 ASP A 76 21.242 2.392 -9.534 1.00 2.20 H new ATOM 1084 N ASN A 77 19.526 2.296 -6.090 1.00 1.87 N ATOM 1085 CA ASN A 77 18.157 2.368 -5.577 1.00 2.13 C ATOM 1086 C ASN A 77 17.171 1.738 -6.554 1.00 1.92 C ATOM 1087 O ASN A 77 16.244 2.394 -7.033 1.00 2.30 O ATOM 1088 CB ASN A 77 17.757 3.819 -5.271 1.00 3.00 C ATOM 1089 CG ASN A 77 16.524 3.911 -4.390 1.00 3.68 C ATOM 1090 OD1 ASN A 77 16.156 2.953 -3.709 1.00 3.93 O ATOM 1091 ND2 ASN A 77 15.877 5.070 -4.398 1.00 4.42 N ATOM 0 H ASN A 77 20.091 1.565 -5.658 1.00 1.87 H new ATOM 0 HA ASN A 77 18.124 1.801 -4.646 1.00 2.13 H new ATOM 0 HB2 ASN A 77 18.588 4.325 -4.780 1.00 3.00 H new ATOM 0 HB3 ASN A 77 17.571 4.346 -6.207 1.00 3.00 H new ATOM 0 HD21 ASN A 77 15.042 5.192 -3.826 1.00 4.42 H new ATOM 0 HD22 ASN A 77 16.215 5.839 -4.977 1.00 4.42 H new ATOM 1098 N THR A 78 17.375 0.455 -6.842 1.00 2.42 N ATOM 1099 CA THR A 78 16.502 -0.275 -7.755 1.00 3.13 C ATOM 1100 C THR A 78 15.151 -0.542 -7.098 1.00 3.07 C ATOM 1101 O THR A 78 15.090 -0.981 -5.948 1.00 3.33 O ATOM 1102 CB THR A 78 17.143 -1.603 -8.173 1.00 4.02 C ATOM 1103 OG1 THR A 78 18.536 -1.595 -7.913 1.00 4.29 O ATOM 1104 CG2 THR A 78 16.950 -1.926 -9.640 1.00 4.87 C ATOM 0 H THR A 78 18.138 -0.100 -6.455 1.00 2.42 H new ATOM 0 HA THR A 78 16.353 0.339 -8.644 1.00 3.13 H new ATOM 0 HB THR A 78 16.637 -2.365 -7.580 1.00 4.02 H new ATOM 0 HG1 THR A 78 18.951 -2.380 -8.327 1.00 4.29 H new ATOM 0 HG21 THR A 78 17.428 -2.879 -9.869 1.00 4.87 H new ATOM 0 HG22 THR A 78 15.885 -1.992 -9.861 1.00 4.87 H new ATOM 0 HG23 THR A 78 17.398 -1.140 -10.248 1.00 4.87 H new ATOM 1112 N ILE A 79 14.074 -0.275 -7.829 1.00 3.06 N ATOM 1113 CA ILE A 79 12.730 -0.493 -7.310 1.00 3.21 C ATOM 1114 C ILE A 79 12.477 -1.982 -7.098 1.00 2.90 C ATOM 1115 O ILE A 79 12.126 -2.704 -8.033 1.00 3.08 O ATOM 1116 CB ILE A 79 11.653 0.086 -8.255 1.00 3.81 C ATOM 1117 CG1 ILE A 79 11.917 1.575 -8.516 1.00 4.11 C ATOM 1118 CG2 ILE A 79 10.262 -0.117 -7.668 1.00 4.49 C ATOM 1119 CD1 ILE A 79 11.634 2.001 -9.940 1.00 4.56 C ATOM 0 H ILE A 79 14.106 0.092 -8.780 1.00 3.06 H new ATOM 0 HA ILE A 79 12.661 0.028 -6.355 1.00 3.21 H new ATOM 0 HB ILE A 79 11.704 -0.445 -9.205 1.00 3.81 H new ATOM 0 HG12 ILE A 79 11.302 2.168 -7.839 1.00 4.11 H new ATOM 0 HG13 ILE A 79 12.957 1.798 -8.279 1.00 4.11 H new ATOM 0 HG21 ILE A 79 9.517 0.297 -8.347 1.00 4.49 H new ATOM 0 HG22 ILE A 79 10.077 -1.182 -7.531 1.00 4.49 H new ATOM 0 HG23 ILE A 79 10.196 0.389 -6.705 1.00 4.49 H new ATOM 0 HD11 ILE A 79 11.843 3.065 -10.050 1.00 4.56 H new ATOM 0 HD12 ILE A 79 12.268 1.434 -10.622 1.00 4.56 H new ATOM 0 HD13 ILE A 79 10.587 1.811 -10.175 1.00 4.56 H new ATOM 1131 N GLY A 80 12.673 -2.435 -5.862 1.00 2.87 N ATOM 1132 CA GLY A 80 12.479 -3.836 -5.537 1.00 2.77 C ATOM 1133 C GLY A 80 13.606 -4.385 -4.686 1.00 2.49 C ATOM 1134 O GLY A 80 13.468 -5.442 -4.067 1.00 2.38 O ATOM 0 H GLY A 80 12.964 -1.852 -5.077 1.00 2.87 H new ATOM 0 HA2 GLY A 80 11.534 -3.957 -5.008 1.00 2.77 H new ATOM 0 HA3 GLY A 80 12.406 -4.415 -6.458 1.00 2.77 H new ATOM 1138 N LYS A 81 14.724 -3.659 -4.651 1.00 2.47 N ATOM 1139 CA LYS A 81 15.889 -4.068 -3.868 1.00 2.30 C ATOM 1140 C LYS A 81 15.482 -4.594 -2.490 1.00 2.13 C ATOM 1141 O LYS A 81 16.027 -5.586 -2.013 1.00 1.92 O ATOM 1142 CB LYS A 81 16.869 -2.900 -3.721 1.00 2.45 C ATOM 1143 CG LYS A 81 16.312 -1.728 -2.928 1.00 2.98 C ATOM 1144 CD LYS A 81 17.369 -0.670 -2.663 1.00 3.54 C ATOM 1145 CE LYS A 81 16.922 0.305 -1.584 1.00 4.27 C ATOM 1146 NZ LYS A 81 15.549 0.821 -1.837 1.00 4.40 N ATOM 0 H LYS A 81 14.847 -2.782 -5.158 1.00 2.47 H new ATOM 0 HA LYS A 81 16.381 -4.880 -4.404 1.00 2.30 H new ATOM 0 HB2 LYS A 81 17.776 -3.258 -3.234 1.00 2.45 H new ATOM 0 HB3 LYS A 81 17.156 -2.552 -4.713 1.00 2.45 H new ATOM 0 HG2 LYS A 81 15.481 -1.282 -3.475 1.00 2.98 H new ATOM 0 HG3 LYS A 81 15.913 -2.088 -1.980 1.00 2.98 H new ATOM 0 HD2 LYS A 81 18.299 -1.151 -2.358 1.00 3.54 H new ATOM 0 HD3 LYS A 81 17.579 -0.125 -3.583 1.00 3.54 H new ATOM 0 HE2 LYS A 81 16.951 -0.190 -0.613 1.00 4.27 H new ATOM 0 HE3 LYS A 81 17.621 1.140 -1.537 1.00 4.27 H new ATOM 0 HZ1 LYS A 81 15.176 1.256 -0.969 1.00 4.40 H new ATOM 0 HZ2 LYS A 81 15.580 1.532 -2.595 1.00 4.40 H new ATOM 0 HZ3 LYS A 81 14.930 0.036 -2.124 1.00 4.40 H new ATOM 1160 N GLU A 82 14.519 -3.929 -1.857 1.00 2.24 N ATOM 1161 CA GLU A 82 14.042 -4.339 -0.540 1.00 2.14 C ATOM 1162 C GLU A 82 13.654 -5.816 -0.548 1.00 1.94 C ATOM 1163 O GLU A 82 14.135 -6.601 0.271 1.00 1.76 O ATOM 1164 CB GLU A 82 12.850 -3.479 -0.108 1.00 2.37 C ATOM 1165 CG GLU A 82 13.248 -2.123 0.467 1.00 2.74 C ATOM 1166 CD GLU A 82 13.358 -1.034 -0.587 1.00 2.68 C ATOM 1167 OE1 GLU A 82 13.588 -1.364 -1.769 1.00 2.89 O ATOM 1168 OE2 GLU A 82 13.224 0.155 -0.228 1.00 3.00 O ATOM 0 H GLU A 82 14.054 -3.104 -2.235 1.00 2.24 H new ATOM 0 HA GLU A 82 14.850 -4.196 0.177 1.00 2.14 H new ATOM 0 HB2 GLU A 82 12.197 -3.322 -0.966 1.00 2.37 H new ATOM 0 HB3 GLU A 82 12.271 -4.024 0.638 1.00 2.37 H new ATOM 0 HG2 GLU A 82 12.514 -1.823 1.215 1.00 2.74 H new ATOM 0 HG3 GLU A 82 14.204 -2.220 0.981 1.00 2.74 H new ATOM 1175 N GLU A 83 12.790 -6.193 -1.489 1.00 2.03 N ATOM 1176 CA GLU A 83 12.357 -7.581 -1.611 1.00 1.94 C ATOM 1177 C GLU A 83 13.568 -8.484 -1.810 1.00 1.73 C ATOM 1178 O GLU A 83 13.691 -9.533 -1.177 1.00 1.57 O ATOM 1179 CB GLU A 83 11.381 -7.737 -2.781 1.00 2.17 C ATOM 1180 CG GLU A 83 10.633 -9.065 -2.782 1.00 2.39 C ATOM 1181 CD GLU A 83 11.168 -10.045 -3.810 1.00 2.51 C ATOM 1182 OE1 GLU A 83 12.405 -10.149 -3.949 1.00 2.93 O ATOM 1183 OE2 GLU A 83 10.350 -10.716 -4.472 1.00 2.94 O ATOM 0 H GLU A 83 12.379 -5.559 -2.174 1.00 2.03 H new ATOM 0 HA GLU A 83 11.843 -7.871 -0.694 1.00 1.94 H new ATOM 0 HB2 GLU A 83 10.657 -6.923 -2.750 1.00 2.17 H new ATOM 0 HB3 GLU A 83 11.931 -7.639 -3.717 1.00 2.17 H new ATOM 0 HG2 GLU A 83 10.699 -9.514 -1.791 1.00 2.39 H new ATOM 0 HG3 GLU A 83 9.577 -8.881 -2.979 1.00 2.39 H new ATOM 1190 N ILE A 84 14.468 -8.058 -2.691 1.00 1.75 N ATOM 1191 CA ILE A 84 15.683 -8.813 -2.973 1.00 1.60 C ATOM 1192 C ILE A 84 16.432 -9.118 -1.677 1.00 1.38 C ATOM 1193 O ILE A 84 16.865 -10.247 -1.444 1.00 1.22 O ATOM 1194 CB ILE A 84 16.617 -8.046 -3.935 1.00 1.73 C ATOM 1195 CG1 ILE A 84 15.865 -7.663 -5.216 1.00 2.03 C ATOM 1196 CG2 ILE A 84 17.845 -8.881 -4.267 1.00 1.57 C ATOM 1197 CD1 ILE A 84 16.704 -6.886 -6.209 1.00 2.47 C ATOM 0 H ILE A 84 14.378 -7.192 -3.223 1.00 1.75 H new ATOM 0 HA ILE A 84 15.384 -9.745 -3.452 1.00 1.60 H new ATOM 0 HB ILE A 84 16.948 -7.132 -3.441 1.00 1.73 H new ATOM 0 HG12 ILE A 84 15.499 -8.570 -5.696 1.00 2.03 H new ATOM 0 HG13 ILE A 84 14.991 -7.068 -4.949 1.00 2.03 H new ATOM 0 HG21 ILE A 84 18.491 -8.324 -4.946 1.00 1.57 H new ATOM 0 HG22 ILE A 84 18.390 -9.107 -3.351 1.00 1.57 H new ATOM 0 HG23 ILE A 84 17.535 -9.811 -4.743 1.00 1.57 H new ATOM 0 HD11 ILE A 84 16.104 -6.652 -7.088 1.00 2.47 H new ATOM 0 HD12 ILE A 84 17.049 -5.960 -5.748 1.00 2.47 H new ATOM 0 HD13 ILE A 84 17.564 -7.486 -6.507 1.00 2.47 H new ATOM 1209 N GLN A 85 16.569 -8.102 -0.828 1.00 1.45 N ATOM 1210 CA GLN A 85 17.251 -8.263 0.451 1.00 1.35 C ATOM 1211 C GLN A 85 16.668 -9.452 1.204 1.00 1.19 C ATOM 1212 O GLN A 85 17.404 -10.318 1.673 1.00 1.05 O ATOM 1213 CB GLN A 85 17.126 -6.991 1.293 1.00 1.56 C ATOM 1214 CG GLN A 85 18.142 -6.903 2.424 1.00 1.77 C ATOM 1215 CD GLN A 85 18.299 -5.493 2.962 1.00 2.36 C ATOM 1216 OE1 GLN A 85 17.276 -4.666 2.775 1.00 2.80 O flip ATOM 1217 NE2 GLN A 85 19.329 -5.150 3.542 1.00 3.13 N flip ATOM 0 H GLN A 85 16.217 -7.161 -1.003 1.00 1.45 H new ATOM 0 HA GLN A 85 18.309 -8.446 0.261 1.00 1.35 H new ATOM 0 HB2 GLN A 85 17.242 -6.123 0.644 1.00 1.56 H new ATOM 0 HB3 GLN A 85 16.122 -6.942 1.714 1.00 1.56 H new ATOM 0 HG2 GLN A 85 17.836 -7.565 3.234 1.00 1.77 H new ATOM 0 HG3 GLN A 85 19.108 -7.261 2.068 1.00 1.77 H new ATOM 0 HE21 GLN A 85 20.091 -5.816 3.665 1.00 3.13 H new ATOM 0 HE22 GLN A 85 19.420 -4.199 3.900 1.00 3.13 H new ATOM 1226 N GLN A 86 15.340 -9.497 1.300 1.00 1.26 N ATOM 1227 CA GLN A 86 14.661 -10.596 1.981 1.00 1.18 C ATOM 1228 C GLN A 86 15.079 -11.930 1.370 1.00 1.03 C ATOM 1229 O GLN A 86 15.448 -12.863 2.085 1.00 0.90 O ATOM 1230 CB GLN A 86 13.140 -10.428 1.893 1.00 1.37 C ATOM 1231 CG GLN A 86 12.394 -11.005 3.087 1.00 1.47 C ATOM 1232 CD GLN A 86 12.461 -10.107 4.307 1.00 2.31 C ATOM 1233 OE1 GLN A 86 11.693 -9.153 4.432 1.00 2.90 O ATOM 1234 NE2 GLN A 86 13.382 -10.408 5.215 1.00 3.09 N ATOM 0 H GLN A 86 14.716 -8.788 0.916 1.00 1.26 H new ATOM 0 HA GLN A 86 14.949 -10.582 3.032 1.00 1.18 H new ATOM 0 HB2 GLN A 86 12.904 -9.367 1.806 1.00 1.37 H new ATOM 0 HB3 GLN A 86 12.781 -10.910 0.983 1.00 1.37 H new ATOM 0 HG2 GLN A 86 11.351 -11.165 2.816 1.00 1.47 H new ATOM 0 HG3 GLN A 86 12.812 -11.980 3.335 1.00 1.47 H new ATOM 0 HE21 GLN A 86 13.998 -11.208 5.071 1.00 3.09 H new ATOM 0 HE22 GLN A 86 13.473 -9.839 6.057 1.00 3.09 H new ATOM 1243 N ARG A 87 15.028 -12.007 0.039 1.00 1.11 N ATOM 1244 CA ARG A 87 15.415 -13.222 -0.677 1.00 1.09 C ATOM 1245 C ARG A 87 16.826 -13.645 -0.283 1.00 0.91 C ATOM 1246 O ARG A 87 17.066 -14.796 0.080 1.00 0.87 O ATOM 1247 CB ARG A 87 15.337 -13.005 -2.193 1.00 1.29 C ATOM 1248 CG ARG A 87 13.978 -12.521 -2.676 1.00 1.78 C ATOM 1249 CD ARG A 87 13.110 -13.673 -3.158 1.00 2.22 C ATOM 1250 NE ARG A 87 11.848 -13.208 -3.729 1.00 2.81 N ATOM 1251 CZ ARG A 87 10.848 -14.017 -4.070 1.00 3.73 C ATOM 1252 NH1 ARG A 87 10.963 -15.326 -3.895 1.00 4.21 N ATOM 1253 NH2 ARG A 87 9.732 -13.518 -4.585 1.00 4.43 N ATOM 0 H ARG A 87 14.723 -11.243 -0.564 1.00 1.11 H new ATOM 0 HA ARG A 87 14.719 -14.015 -0.402 1.00 1.09 H new ATOM 0 HB2 ARG A 87 16.096 -12.279 -2.486 1.00 1.29 H new ATOM 0 HB3 ARG A 87 15.579 -13.941 -2.697 1.00 1.29 H new ATOM 0 HG2 ARG A 87 13.470 -11.996 -1.867 1.00 1.78 H new ATOM 0 HG3 ARG A 87 14.114 -11.804 -3.486 1.00 1.78 H new ATOM 0 HD2 ARG A 87 13.655 -14.249 -3.906 1.00 2.22 H new ATOM 0 HD3 ARG A 87 12.905 -14.345 -2.325 1.00 2.22 H new ATOM 0 HE ARG A 87 11.727 -12.206 -3.875 1.00 2.81 H new ATOM 0 HH11 ARG A 87 11.819 -15.714 -3.498 1.00 4.21 H new ATOM 0 HH12 ARG A 87 10.196 -15.945 -4.157 1.00 4.21 H new ATOM 0 HH21 ARG A 87 9.639 -12.511 -4.721 1.00 4.43 H new ATOM 0 HH22 ARG A 87 8.967 -14.141 -4.845 1.00 4.43 H new ATOM 1267 N LEU A 88 17.760 -12.703 -0.357 1.00 0.87 N ATOM 1268 CA LEU A 88 19.146 -12.977 0.003 1.00 0.78 C ATOM 1269 C LEU A 88 19.227 -13.420 1.463 1.00 0.71 C ATOM 1270 O LEU A 88 20.039 -14.275 1.822 1.00 0.67 O ATOM 1271 CB LEU A 88 20.010 -11.730 -0.229 1.00 0.86 C ATOM 1272 CG LEU A 88 21.525 -11.915 -0.046 1.00 1.04 C ATOM 1273 CD1 LEU A 88 21.925 -11.697 1.408 1.00 1.15 C ATOM 1274 CD2 LEU A 88 21.972 -13.289 -0.528 1.00 1.90 C ATOM 0 H LEU A 88 17.583 -11.746 -0.662 1.00 0.87 H new ATOM 0 HA LEU A 88 19.525 -13.781 -0.628 1.00 0.78 H new ATOM 0 HB2 LEU A 88 19.828 -11.370 -1.241 1.00 0.86 H new ATOM 0 HB3 LEU A 88 19.675 -10.948 0.453 1.00 0.86 H new ATOM 0 HG LEU A 88 22.029 -11.165 -0.655 1.00 1.04 H new ATOM 0 HD11 LEU A 88 23.001 -11.833 1.514 1.00 1.15 H new ATOM 0 HD12 LEU A 88 21.656 -10.685 1.712 1.00 1.15 H new ATOM 0 HD13 LEU A 88 21.405 -12.416 2.040 1.00 1.15 H new ATOM 0 HD21 LEU A 88 23.048 -13.392 -0.387 1.00 1.90 H new ATOM 0 HD22 LEU A 88 21.455 -14.061 0.043 1.00 1.90 H new ATOM 0 HD23 LEU A 88 21.733 -13.399 -1.586 1.00 1.90 H new ATOM 1286 N ALA A 89 18.371 -12.835 2.299 1.00 0.77 N ATOM 1287 CA ALA A 89 18.333 -13.166 3.719 1.00 0.81 C ATOM 1288 C ALA A 89 18.083 -14.656 3.925 1.00 0.74 C ATOM 1289 O ALA A 89 18.541 -15.239 4.906 1.00 0.77 O ATOM 1290 CB ALA A 89 17.268 -12.341 4.431 1.00 0.97 C ATOM 0 H ALA A 89 17.693 -12.128 2.015 1.00 0.77 H new ATOM 0 HA ALA A 89 19.304 -12.924 4.150 1.00 0.81 H new ATOM 0 HB1 ALA A 89 17.254 -12.601 5.489 1.00 0.97 H new ATOM 0 HB2 ALA A 89 17.495 -11.281 4.321 1.00 0.97 H new ATOM 0 HB3 ALA A 89 16.292 -12.550 3.993 1.00 0.97 H new ATOM 1296 N GLN A 90 17.360 -15.270 2.986 1.00 0.73 N ATOM 1297 CA GLN A 90 17.066 -16.698 3.071 1.00 0.79 C ATOM 1298 C GLN A 90 18.343 -17.505 2.866 1.00 0.73 C ATOM 1299 O GLN A 90 18.657 -18.402 3.648 1.00 0.79 O ATOM 1300 CB GLN A 90 16.009 -17.107 2.040 1.00 0.90 C ATOM 1301 CG GLN A 90 14.612 -16.593 2.362 1.00 1.35 C ATOM 1302 CD GLN A 90 13.956 -15.895 1.187 1.00 1.96 C ATOM 1303 OE1 GLN A 90 13.438 -14.697 1.424 1.00 2.38 O flip ATOM 1304 NE2 GLN A 90 13.912 -16.430 0.078 1.00 2.72 N flip ATOM 0 H GLN A 90 16.971 -14.804 2.166 1.00 0.73 H new ATOM 0 HA GLN A 90 16.666 -16.906 4.063 1.00 0.79 H new ATOM 0 HB2 GLN A 90 16.307 -16.735 1.060 1.00 0.90 H new ATOM 0 HB3 GLN A 90 15.980 -18.195 1.973 1.00 0.90 H new ATOM 0 HG2 GLN A 90 13.987 -17.428 2.678 1.00 1.35 H new ATOM 0 HG3 GLN A 90 14.669 -15.902 3.203 1.00 1.35 H new ATOM 0 HE21 GLN A 90 14.324 -17.353 -0.060 1.00 2.72 H new ATOM 0 HE22 GLN A 90 13.464 -15.950 -0.702 1.00 2.72 H new ATOM 1313 N PHE A 91 19.088 -17.171 1.812 1.00 0.66 N ATOM 1314 CA PHE A 91 20.340 -17.863 1.526 1.00 0.67 C ATOM 1315 C PHE A 91 21.229 -17.820 2.765 1.00 0.67 C ATOM 1316 O PHE A 91 21.779 -18.837 3.192 1.00 0.74 O ATOM 1317 CB PHE A 91 21.061 -17.225 0.327 1.00 0.65 C ATOM 1318 CG PHE A 91 22.510 -17.608 0.228 1.00 0.66 C ATOM 1319 CD1 PHE A 91 23.461 -16.992 1.025 1.00 1.03 C ATOM 1320 CD2 PHE A 91 22.918 -18.593 -0.654 1.00 0.93 C ATOM 1321 CE1 PHE A 91 24.789 -17.350 0.944 1.00 1.19 C ATOM 1322 CE2 PHE A 91 24.246 -18.954 -0.740 1.00 0.92 C ATOM 1323 CZ PHE A 91 25.183 -18.333 0.060 1.00 0.90 C ATOM 0 H PHE A 91 18.848 -16.433 1.150 1.00 0.66 H new ATOM 0 HA PHE A 91 20.122 -18.899 1.268 1.00 0.67 H new ATOM 0 HB2 PHE A 91 20.552 -17.518 -0.591 1.00 0.65 H new ATOM 0 HB3 PHE A 91 20.984 -16.140 0.402 1.00 0.65 H new ATOM 0 HD1 PHE A 91 23.158 -16.222 1.718 1.00 1.03 H new ATOM 0 HD2 PHE A 91 22.189 -19.084 -1.281 1.00 0.93 H new ATOM 0 HE1 PHE A 91 25.520 -16.862 1.571 1.00 1.19 H new ATOM 0 HE2 PHE A 91 24.553 -19.723 -1.434 1.00 0.92 H new ATOM 0 HZ PHE A 91 26.223 -18.616 -0.006 1.00 0.90 H new ATOM 1333 N VAL A 92 21.339 -16.632 3.357 1.00 0.64 N ATOM 1334 CA VAL A 92 22.139 -16.445 4.559 1.00 0.72 C ATOM 1335 C VAL A 92 21.707 -17.425 5.643 1.00 0.77 C ATOM 1336 O VAL A 92 22.519 -18.191 6.159 1.00 0.86 O ATOM 1337 CB VAL A 92 22.025 -15.004 5.100 1.00 0.77 C ATOM 1338 CG1 VAL A 92 22.902 -14.819 6.331 1.00 0.86 C ATOM 1339 CG2 VAL A 92 22.395 -13.995 4.021 1.00 1.37 C ATOM 0 H VAL A 92 20.882 -15.785 3.020 1.00 0.64 H new ATOM 0 HA VAL A 92 23.178 -16.631 4.288 1.00 0.72 H new ATOM 0 HB VAL A 92 20.989 -14.830 5.391 1.00 0.77 H new ATOM 0 HG11 VAL A 92 22.806 -13.796 6.696 1.00 0.86 H new ATOM 0 HG12 VAL A 92 22.587 -15.513 7.110 1.00 0.86 H new ATOM 0 HG13 VAL A 92 23.942 -15.015 6.070 1.00 0.86 H new ATOM 0 HG21 VAL A 92 22.308 -12.985 4.422 1.00 1.37 H new ATOM 0 HG22 VAL A 92 23.421 -14.170 3.696 1.00 1.37 H new ATOM 0 HG23 VAL A 92 21.721 -14.107 3.172 1.00 1.37 H new ATOM 1349 N ASP A 93 20.413 -17.415 5.970 1.00 0.77 N ATOM 1350 CA ASP A 93 19.883 -18.325 6.981 1.00 0.86 C ATOM 1351 C ASP A 93 20.358 -19.742 6.691 1.00 0.91 C ATOM 1352 O ASP A 93 20.879 -20.424 7.572 1.00 1.00 O ATOM 1353 CB ASP A 93 18.352 -18.269 7.025 1.00 0.90 C ATOM 1354 CG ASP A 93 17.717 -19.610 6.704 1.00 1.10 C ATOM 1355 OD1 ASP A 93 18.298 -20.363 5.891 1.00 1.71 O ATOM 1356 OD2 ASP A 93 16.639 -19.906 7.262 1.00 1.55 O ATOM 0 H ASP A 93 19.721 -16.793 5.553 1.00 0.77 H new ATOM 0 HA ASP A 93 20.253 -18.015 7.958 1.00 0.86 H new ATOM 0 HB2 ASP A 93 18.031 -17.945 8.015 1.00 0.90 H new ATOM 0 HB3 ASP A 93 17.997 -17.522 6.315 1.00 0.90 H new ATOM 1361 N HIS A 94 20.208 -20.165 5.438 1.00 0.89 N ATOM 1362 CA HIS A 94 20.657 -21.488 5.029 1.00 0.98 C ATOM 1363 C HIS A 94 22.110 -21.683 5.443 1.00 1.00 C ATOM 1364 O HIS A 94 22.427 -22.568 6.233 1.00 1.12 O ATOM 1365 CB HIS A 94 20.511 -21.663 3.519 1.00 1.00 C ATOM 1366 CG HIS A 94 19.868 -22.958 3.138 1.00 1.35 C ATOM 1367 ND1 HIS A 94 20.515 -24.174 3.170 1.00 2.17 N ATOM 1368 CD2 HIS A 94 18.597 -23.221 2.740 1.00 1.73 C ATOM 1369 CE1 HIS A 94 19.637 -25.116 2.798 1.00 2.46 C ATOM 1370 NE2 HIS A 94 18.459 -24.590 2.527 1.00 2.14 N ATOM 0 H HIS A 94 19.781 -19.613 4.694 1.00 0.89 H new ATOM 0 HA HIS A 94 20.038 -22.238 5.520 1.00 0.98 H new ATOM 0 HB2 HIS A 94 19.920 -20.839 3.119 1.00 1.00 H new ATOM 0 HB3 HIS A 94 21.496 -21.603 3.055 1.00 1.00 H new ATOM 0 HD2 HIS A 94 17.817 -22.485 2.609 1.00 1.73 H new ATOM 0 HE1 HIS A 94 19.865 -26.169 2.729 1.00 2.46 H new ATOM 0 HE2 HIS A 94 17.620 -25.084 2.224 1.00 2.14 H new ATOM 1378 N TRP A 95 22.983 -20.812 4.932 1.00 0.93 N ATOM 1379 CA TRP A 95 24.407 -20.856 5.268 1.00 1.00 C ATOM 1380 C TRP A 95 24.579 -21.029 6.775 1.00 1.06 C ATOM 1381 O TRP A 95 25.362 -21.858 7.235 1.00 1.16 O ATOM 1382 CB TRP A 95 25.095 -19.565 4.807 1.00 0.97 C ATOM 1383 CG TRP A 95 26.575 -19.533 5.057 1.00 1.09 C ATOM 1384 CD1 TRP A 95 27.441 -20.585 4.992 1.00 2.01 C ATOM 1385 CD2 TRP A 95 27.363 -18.388 5.412 1.00 1.04 C ATOM 1386 NE1 TRP A 95 28.715 -20.165 5.285 1.00 1.88 N ATOM 1387 CE2 TRP A 95 28.693 -18.819 5.543 1.00 1.04 C ATOM 1388 CE3 TRP A 95 27.070 -17.038 5.629 1.00 2.03 C ATOM 1389 CZ2 TRP A 95 29.729 -17.949 5.880 1.00 1.13 C ATOM 1390 CZ3 TRP A 95 28.096 -16.175 5.966 1.00 2.64 C ATOM 1391 CH2 TRP A 95 29.414 -16.634 6.088 1.00 2.05 C ATOM 0 H TRP A 95 22.728 -20.067 4.283 1.00 0.93 H new ATOM 0 HA TRP A 95 24.866 -21.703 4.758 1.00 1.00 H new ATOM 0 HB2 TRP A 95 24.915 -19.432 3.740 1.00 0.97 H new ATOM 0 HB3 TRP A 95 24.634 -18.719 5.316 1.00 0.97 H new ATOM 0 HD1 TRP A 95 27.165 -21.600 4.746 1.00 2.01 H new ATOM 0 HE1 TRP A 95 29.544 -20.759 5.307 1.00 1.88 H new ATOM 0 HE3 TRP A 95 26.057 -16.675 5.535 1.00 2.03 H new ATOM 0 HZ2 TRP A 95 30.746 -18.301 5.974 1.00 1.13 H new ATOM 0 HZ3 TRP A 95 27.878 -15.131 6.138 1.00 2.64 H new ATOM 0 HH2 TRP A 95 30.196 -15.937 6.351 1.00 2.05 H new ATOM 1402 N LYS A 96 23.826 -20.233 7.531 1.00 1.03 N ATOM 1403 CA LYS A 96 23.862 -20.284 8.990 1.00 1.12 C ATOM 1404 C LYS A 96 23.727 -21.724 9.483 1.00 1.21 C ATOM 1405 O LYS A 96 24.531 -22.194 10.290 1.00 1.32 O ATOM 1406 CB LYS A 96 22.734 -19.424 9.572 1.00 1.12 C ATOM 1407 CG LYS A 96 23.137 -18.612 10.795 1.00 1.49 C ATOM 1408 CD LYS A 96 23.064 -17.112 10.525 1.00 1.83 C ATOM 1409 CE LYS A 96 21.707 -16.532 10.904 1.00 2.36 C ATOM 1410 NZ LYS A 96 20.578 -17.283 10.282 1.00 2.86 N ATOM 0 H LYS A 96 23.179 -19.540 7.153 1.00 1.03 H new ATOM 0 HA LYS A 96 24.822 -19.892 9.326 1.00 1.12 H new ATOM 0 HB2 LYS A 96 22.376 -18.743 8.800 1.00 1.12 H new ATOM 0 HB3 LYS A 96 21.899 -20.072 9.839 1.00 1.12 H new ATOM 0 HG2 LYS A 96 22.484 -18.864 11.630 1.00 1.49 H new ATOM 0 HG3 LYS A 96 24.151 -18.880 11.092 1.00 1.49 H new ATOM 0 HD2 LYS A 96 23.846 -16.603 11.088 1.00 1.83 H new ATOM 0 HD3 LYS A 96 23.257 -16.923 9.469 1.00 1.83 H new ATOM 0 HE2 LYS A 96 21.597 -16.548 11.988 1.00 2.36 H new ATOM 0 HE3 LYS A 96 21.661 -15.488 10.594 1.00 2.36 H new ATOM 0 HZ1 LYS A 96 19.686 -17.014 10.744 1.00 2.86 H new ATOM 0 HZ2 LYS A 96 20.526 -17.055 9.269 1.00 2.86 H new ATOM 0 HZ3 LYS A 96 20.734 -18.305 10.399 1.00 2.86 H new ATOM 1424 N GLU A 97 22.704 -22.415 8.992 1.00 1.20 N ATOM 1425 CA GLU A 97 22.458 -23.800 9.374 1.00 1.32 C ATOM 1426 C GLU A 97 23.700 -24.649 9.136 1.00 1.36 C ATOM 1427 O GLU A 97 24.124 -25.409 10.007 1.00 1.47 O ATOM 1428 CB GLU A 97 21.283 -24.372 8.577 1.00 1.36 C ATOM 1429 CG GLU A 97 20.065 -23.456 8.532 1.00 1.86 C ATOM 1430 CD GLU A 97 19.911 -22.594 9.775 1.00 2.35 C ATOM 1431 OE1 GLU A 97 20.800 -22.633 10.652 1.00 2.68 O ATOM 1432 OE2 GLU A 97 18.888 -21.885 9.877 1.00 3.03 O ATOM 0 H GLU A 97 22.030 -22.037 8.326 1.00 1.20 H new ATOM 0 HA GLU A 97 22.213 -23.822 10.436 1.00 1.32 H new ATOM 0 HB2 GLU A 97 21.612 -24.574 7.558 1.00 1.36 H new ATOM 0 HB3 GLU A 97 20.991 -25.327 9.013 1.00 1.36 H new ATOM 0 HG2 GLU A 97 20.138 -22.810 7.657 1.00 1.86 H new ATOM 0 HG3 GLU A 97 19.168 -24.062 8.406 1.00 1.86 H new ATOM 1439 N LEU A 98 24.275 -24.518 7.944 1.00 1.31 N ATOM 1440 CA LEU A 98 25.469 -25.276 7.584 1.00 1.37 C ATOM 1441 C LEU A 98 26.577 -25.028 8.598 1.00 1.42 C ATOM 1442 O LEU A 98 27.231 -25.961 9.059 1.00 1.54 O ATOM 1443 CB LEU A 98 25.953 -24.904 6.178 1.00 1.31 C ATOM 1444 CG LEU A 98 24.848 -24.655 5.147 1.00 1.61 C ATOM 1445 CD1 LEU A 98 25.451 -24.341 3.785 1.00 2.38 C ATOM 1446 CD2 LEU A 98 23.914 -25.857 5.056 1.00 2.07 C ATOM 0 H LEU A 98 23.934 -23.895 7.212 1.00 1.31 H new ATOM 0 HA LEU A 98 25.211 -26.335 7.589 1.00 1.37 H new ATOM 0 HB2 LEU A 98 26.568 -24.007 6.250 1.00 1.31 H new ATOM 0 HB3 LEU A 98 26.596 -25.704 5.810 1.00 1.31 H new ATOM 0 HG LEU A 98 24.264 -23.794 5.472 1.00 1.61 H new ATOM 0 HD11 LEU A 98 24.652 -24.167 3.065 1.00 2.38 H new ATOM 0 HD12 LEU A 98 26.073 -23.449 3.859 1.00 2.38 H new ATOM 0 HD13 LEU A 98 26.061 -25.182 3.454 1.00 2.38 H new ATOM 0 HD21 LEU A 98 23.137 -25.659 4.318 1.00 2.07 H new ATOM 0 HD22 LEU A 98 24.482 -26.738 4.757 1.00 2.07 H new ATOM 0 HD23 LEU A 98 23.454 -26.035 6.028 1.00 2.07 H new ATOM 1458 N LYS A 99 26.774 -23.760 8.948 1.00 1.38 N ATOM 1459 CA LYS A 99 27.796 -23.384 9.916 1.00 1.47 C ATOM 1460 C LYS A 99 27.565 -24.130 11.227 1.00 1.60 C ATOM 1461 O LYS A 99 28.469 -24.783 11.750 1.00 1.74 O ATOM 1462 CB LYS A 99 27.784 -21.862 10.133 1.00 1.45 C ATOM 1463 CG LYS A 99 28.165 -21.415 11.540 1.00 1.90 C ATOM 1464 CD LYS A 99 26.942 -20.998 12.343 1.00 2.41 C ATOM 1465 CE LYS A 99 27.329 -20.375 13.675 1.00 3.14 C ATOM 1466 NZ LYS A 99 26.184 -19.657 14.301 1.00 4.07 N ATOM 0 H LYS A 99 26.238 -22.976 8.575 1.00 1.38 H new ATOM 0 HA LYS A 99 28.778 -23.661 9.533 1.00 1.47 H new ATOM 0 HB2 LYS A 99 28.471 -21.402 9.422 1.00 1.45 H new ATOM 0 HB3 LYS A 99 26.788 -21.484 9.904 1.00 1.45 H new ATOM 0 HG2 LYS A 99 28.679 -22.227 12.054 1.00 1.90 H new ATOM 0 HG3 LYS A 99 28.864 -20.581 11.481 1.00 1.90 H new ATOM 0 HD2 LYS A 99 26.353 -20.285 11.765 1.00 2.41 H new ATOM 0 HD3 LYS A 99 26.308 -21.867 12.518 1.00 2.41 H new ATOM 0 HE2 LYS A 99 27.684 -21.153 14.351 1.00 3.14 H new ATOM 0 HE3 LYS A 99 28.156 -19.681 13.525 1.00 3.14 H new ATOM 0 HZ1 LYS A 99 26.232 -19.762 15.335 1.00 4.07 H new ATOM 0 HZ2 LYS A 99 26.230 -18.648 14.053 1.00 4.07 H new ATOM 0 HZ3 LYS A 99 25.290 -20.059 13.953 1.00 4.07 H new ATOM 1480 N GLN A 100 26.341 -24.048 11.741 1.00 1.58 N ATOM 1481 CA GLN A 100 25.986 -24.733 12.979 1.00 1.72 C ATOM 1482 C GLN A 100 26.330 -26.216 12.876 1.00 1.81 C ATOM 1483 O GLN A 100 27.031 -26.759 13.727 1.00 1.95 O ATOM 1484 CB GLN A 100 24.494 -24.558 13.287 1.00 1.71 C ATOM 1485 CG GLN A 100 24.170 -23.279 14.049 1.00 1.93 C ATOM 1486 CD GLN A 100 23.514 -22.226 13.175 1.00 2.66 C ATOM 1487 OE1 GLN A 100 24.014 -21.109 13.049 1.00 3.23 O ATOM 1488 NE2 GLN A 100 22.386 -22.577 12.570 1.00 3.33 N ATOM 0 H GLN A 100 25.580 -23.515 11.320 1.00 1.58 H new ATOM 0 HA GLN A 100 26.560 -24.291 13.793 1.00 1.72 H new ATOM 0 HB2 GLN A 100 23.936 -24.563 12.351 1.00 1.71 H new ATOM 0 HB3 GLN A 100 24.150 -25.413 13.868 1.00 1.71 H new ATOM 0 HG2 GLN A 100 23.510 -23.516 14.883 1.00 1.93 H new ATOM 0 HG3 GLN A 100 25.087 -22.872 14.474 1.00 1.93 H new ATOM 0 HE21 GLN A 100 22.007 -23.515 12.702 1.00 3.33 H new ATOM 0 HE22 GLN A 100 21.899 -21.909 11.973 1.00 3.33 H new ATOM 1497 N LEU A 101 25.840 -26.863 11.819 1.00 1.77 N ATOM 1498 CA LEU A 101 26.106 -28.280 11.597 1.00 1.89 C ATOM 1499 C LEU A 101 27.603 -28.566 11.685 1.00 1.96 C ATOM 1500 O LEU A 101 28.026 -29.498 12.369 1.00 2.12 O ATOM 1501 CB LEU A 101 25.569 -28.721 10.231 1.00 1.86 C ATOM 1502 CG LEU A 101 24.201 -29.412 10.264 1.00 2.09 C ATOM 1503 CD1 LEU A 101 23.090 -28.390 10.461 1.00 2.56 C ATOM 1504 CD2 LEU A 101 23.974 -30.212 8.989 1.00 2.59 C ATOM 0 H LEU A 101 25.257 -26.427 11.104 1.00 1.77 H new ATOM 0 HA LEU A 101 25.595 -28.847 12.375 1.00 1.89 H new ATOM 0 HB2 LEU A 101 25.502 -27.846 9.584 1.00 1.86 H new ATOM 0 HB3 LEU A 101 26.291 -29.399 9.776 1.00 1.86 H new ATOM 0 HG LEU A 101 24.185 -30.102 11.108 1.00 2.09 H new ATOM 0 HD11 LEU A 101 22.127 -28.899 10.482 1.00 2.56 H new ATOM 0 HD12 LEU A 101 23.243 -27.864 11.403 1.00 2.56 H new ATOM 0 HD13 LEU A 101 23.104 -27.674 9.639 1.00 2.56 H new ATOM 0 HD21 LEU A 101 22.998 -30.695 9.031 1.00 2.59 H new ATOM 0 HD22 LEU A 101 24.011 -29.544 8.129 1.00 2.59 H new ATOM 0 HD23 LEU A 101 24.750 -30.971 8.893 1.00 2.59 H new ATOM 1516 N ALA A 102 28.400 -27.753 10.992 1.00 1.86 N ATOM 1517 CA ALA A 102 29.852 -27.912 10.993 1.00 1.95 C ATOM 1518 C ALA A 102 30.392 -27.965 12.418 1.00 2.09 C ATOM 1519 O ALA A 102 31.187 -28.842 12.762 1.00 2.24 O ATOM 1520 CB ALA A 102 30.507 -26.774 10.220 1.00 1.85 C ATOM 0 H ALA A 102 28.063 -26.977 10.422 1.00 1.86 H new ATOM 0 HA ALA A 102 30.093 -28.855 10.503 1.00 1.95 H new ATOM 0 HB1 ALA A 102 31.589 -26.904 10.228 1.00 1.85 H new ATOM 0 HB2 ALA A 102 30.149 -26.780 9.191 1.00 1.85 H new ATOM 0 HB3 ALA A 102 30.252 -25.823 10.687 1.00 1.85 H new ATOM 1526 N ALA A 103 29.957 -27.020 13.244 1.00 2.07 N ATOM 1527 CA ALA A 103 30.394 -26.960 14.633 1.00 2.24 C ATOM 1528 C ALA A 103 29.943 -28.201 15.396 1.00 2.38 C ATOM 1529 O ALA A 103 30.698 -28.764 16.190 1.00 2.56 O ATOM 1530 CB ALA A 103 29.863 -25.699 15.297 1.00 2.21 C ATOM 0 H ALA A 103 29.302 -26.285 12.976 1.00 2.07 H new ATOM 0 HA ALA A 103 31.483 -26.930 14.652 1.00 2.24 H new ATOM 0 HB1 ALA A 103 30.196 -25.666 16.334 1.00 2.21 H new ATOM 0 HB2 ALA A 103 30.238 -24.823 14.767 1.00 2.21 H new ATOM 0 HB3 ALA A 103 28.773 -25.703 15.266 1.00 2.21 H new ATOM 1536 N ALA A 104 28.705 -28.621 15.150 1.00 2.34 N ATOM 1537 CA ALA A 104 28.147 -29.797 15.806 1.00 2.50 C ATOM 1538 C ALA A 104 28.964 -31.042 15.479 1.00 2.58 C ATOM 1539 O ALA A 104 29.157 -31.909 16.327 1.00 2.74 O ATOM 1540 CB ALA A 104 26.695 -29.993 15.394 1.00 2.48 C ATOM 0 H ALA A 104 28.068 -28.162 14.499 1.00 2.34 H new ATOM 0 HA ALA A 104 28.188 -29.637 16.883 1.00 2.50 H new ATOM 0 HB1 ALA A 104 26.291 -30.875 15.892 1.00 2.48 H new ATOM 0 HB2 ALA A 104 26.114 -29.117 15.681 1.00 2.48 H new ATOM 0 HB3 ALA A 104 26.638 -30.128 14.314 1.00 2.48 H new ATOM 1546 N ARG A 105 29.436 -31.121 14.238 1.00 2.50 N ATOM 1547 CA ARG A 105 30.232 -32.258 13.788 1.00 2.60 C ATOM 1548 C ARG A 105 31.500 -32.403 14.625 1.00 2.72 C ATOM 1549 O ARG A 105 31.834 -33.496 15.078 1.00 2.88 O ATOM 1550 CB ARG A 105 30.601 -32.099 12.310 1.00 2.49 C ATOM 1551 CG ARG A 105 29.453 -32.393 11.357 1.00 2.62 C ATOM 1552 CD ARG A 105 29.281 -33.886 11.141 1.00 2.76 C ATOM 1553 NE ARG A 105 28.239 -34.190 10.164 1.00 3.19 N ATOM 1554 CZ ARG A 105 27.849 -35.426 9.867 1.00 3.86 C ATOM 1555 NH1 ARG A 105 28.410 -36.464 10.470 1.00 4.42 N ATOM 1556 NH2 ARG A 105 26.897 -35.623 8.964 1.00 4.39 N ATOM 0 H ARG A 105 29.280 -30.409 13.525 1.00 2.50 H new ATOM 0 HA ARG A 105 29.631 -33.159 13.912 1.00 2.60 H new ATOM 0 HB2 ARG A 105 30.951 -31.081 12.140 1.00 2.49 H new ATOM 0 HB3 ARG A 105 31.433 -32.765 12.079 1.00 2.49 H new ATOM 0 HG2 ARG A 105 28.530 -31.973 11.756 1.00 2.62 H new ATOM 0 HG3 ARG A 105 29.638 -31.904 10.400 1.00 2.62 H new ATOM 0 HD2 ARG A 105 30.226 -34.313 10.805 1.00 2.76 H new ATOM 0 HD3 ARG A 105 29.035 -34.362 12.090 1.00 2.76 H new ATOM 0 HE ARG A 105 27.786 -33.412 9.684 1.00 3.19 H new ATOM 0 HH11 ARG A 105 29.143 -36.316 11.164 1.00 4.42 H new ATOM 0 HH12 ARG A 105 28.109 -37.411 10.240 1.00 4.42 H new ATOM 0 HH21 ARG A 105 26.464 -34.826 8.497 1.00 4.39 H new ATOM 0 HH22 ARG A 105 26.598 -36.571 8.737 1.00 4.39 H new ATOM 1570 N GLY A 106 32.206 -31.292 14.817 1.00 2.67 N ATOM 1571 CA GLY A 106 33.439 -31.315 15.588 1.00 2.83 C ATOM 1572 C GLY A 106 33.217 -31.708 17.036 1.00 3.06 C ATOM 1573 O GLY A 106 34.053 -32.382 17.639 1.00 3.27 O ATOM 0 H GLY A 106 31.947 -30.375 14.453 1.00 2.67 H new ATOM 0 HA2 GLY A 106 34.137 -32.015 15.129 1.00 2.83 H new ATOM 0 HA3 GLY A 106 33.905 -30.330 15.550 1.00 2.83 H new ATOM 1577 N GLN A 107 32.091 -31.276 17.597 1.00 3.06 N ATOM 1578 CA GLN A 107 31.760 -31.579 18.988 1.00 3.32 C ATOM 1579 C GLN A 107 31.225 -33.000 19.130 1.00 3.48 C ATOM 1580 O GLN A 107 31.393 -33.635 20.171 1.00 3.75 O ATOM 1581 CB GLN A 107 30.723 -30.582 19.518 1.00 3.32 C ATOM 1582 CG GLN A 107 31.183 -29.131 19.476 1.00 3.59 C ATOM 1583 CD GLN A 107 31.415 -28.548 20.857 1.00 3.56 C ATOM 1584 OE1 GLN A 107 30.885 -27.489 21.192 1.00 3.65 O ATOM 1585 NE2 GLN A 107 32.210 -29.238 21.666 1.00 4.07 N ATOM 0 H GLN A 107 31.392 -30.715 17.111 1.00 3.06 H new ATOM 0 HA GLN A 107 32.675 -31.494 19.574 1.00 3.32 H new ATOM 0 HB2 GLN A 107 29.808 -30.680 18.934 1.00 3.32 H new ATOM 0 HB3 GLN A 107 30.474 -30.844 20.546 1.00 3.32 H new ATOM 0 HG2 GLN A 107 32.105 -29.063 18.898 1.00 3.59 H new ATOM 0 HG3 GLN A 107 30.436 -28.533 18.955 1.00 3.59 H new ATOM 0 HE21 GLN A 107 32.628 -30.112 21.347 1.00 4.07 H new ATOM 0 HE22 GLN A 107 32.402 -28.894 22.607 1.00 4.07 H new TER 1594 GLN A 107