USER MOD reduce.3.24.130724 H: found=0, std=0, add=732, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 730 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 90 GLN :FLIP amide:sc= -1.08 F(o=-2.3!,f=-1.1) USER MOD Set 1.2: A 94 HIS : no HD1:sc= -0.0684 X(o=-1.1,f=-1.4) USER MOD Set 2.1: A 27 LYS NZ :NH3+ -129:sc= 0.416 (180deg=-1.03) USER MOD Set 2.2: A 31 SER OG : rot 77:sc= 1.24 USER MOD Set 3.1: A 21 SER OG : rot 103:sc= 0.765 USER MOD Set 3.2: A 24 LYS NZ :NH3+ 149:sc= -2.88! (180deg=-5.72!) USER MOD Single : A 10 HIS : no HD1:sc= -0.43 X(o=-0.43,f=-0.1) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=-0.029) USER MOD Single : A 16 MET CE :methyl 164:sc=-6.89e-05 (180deg=-0.144) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 70:sc= 0.837 USER MOD Single : A 43 GLN :FLIP amide:sc= 1.05 F(o=-0.14,f=1.1) USER MOD Single : A 44 ASN :FLIP amide:sc= -0.34 F(o=-1.8,f=-0.34) USER MOD Single : A 47 LYS NZ :NH3+ 155:sc= -0.16 (180deg=-0.694) USER MOD Single : A 48 LYS NZ :NH3+ -133:sc= -0.0349 (180deg=-2.96!) USER MOD Single : A 49 HIS : no HD1:sc= -0.398 K(o=-0.4,f=-1.3) USER MOD Single : A 50 LYS NZ :NH3+ -128:sc= 1.01 (180deg=-0.0282) USER MOD Single : A 59 HIS : no HD1:sc= -19.9! C(o=-20!,f=-25!) USER MOD Single : A 64 GLN : amide:sc= -8.23! C(o=-8.2!,f=-8.7!) USER MOD Single : A 69 THR OG1 : rot 81:sc= 1.05 USER MOD Single : A 71 LYS NZ :NH3+ 128:sc= 0.854 (180deg=-0.632!) USER MOD Single : A 72 LYS NZ :NH3+ 161:sc= -0.145 (180deg=-0.542) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -0.402 X(o=-0.4,f=-0.0074) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ -165:sc= 1.73 (180deg=1.41) USER MOD Single : A 85 GLN : amide:sc= -0.238 X(o=-0.24,f=-0.24) USER MOD Single : A 86 GLN : amide:sc= 0.18 K(o=0.18,f=-1.9!) USER MOD Single : A 96 LYS NZ :NH3+ -112:sc= 0.894 (180deg=-0.0863) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN : amide:sc= -0.517 K(o=-0.52,f=-3.2!) USER MOD Single : A 107 GLN : amide:sc= -0.0145 X(o=-0.015,f=-0.39) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 10 22.716 -8.678 -14.935 1.00 1.70 N ATOM 2 CA HIS A 10 22.978 -9.955 -15.589 1.00 1.73 C ATOM 3 C HIS A 10 23.965 -10.798 -14.785 1.00 1.58 C ATOM 4 O HIS A 10 23.746 -11.992 -14.577 1.00 1.52 O ATOM 5 CB HIS A 10 23.507 -9.718 -17.007 1.00 2.04 C ATOM 6 CG HIS A 10 22.947 -8.485 -17.651 1.00 2.54 C ATOM 7 ND1 HIS A 10 23.688 -7.612 -18.418 1.00 3.19 N ATOM 8 CD2 HIS A 10 21.687 -7.977 -17.619 1.00 3.29 C ATOM 9 CE1 HIS A 10 22.875 -6.621 -18.815 1.00 4.01 C ATOM 10 NE2 HIS A 10 21.651 -6.796 -18.357 1.00 4.11 N ATOM 0 HA HIS A 10 22.040 -10.507 -15.646 1.00 1.73 H new ATOM 0 HB2 HIS A 10 24.594 -9.640 -16.974 1.00 2.04 H new ATOM 0 HB3 HIS A 10 23.268 -10.583 -17.626 1.00 2.04 H new ATOM 0 HD2 HIS A 10 20.847 -8.419 -17.103 1.00 3.29 H new ATOM 0 HE1 HIS A 10 23.183 -5.788 -19.430 1.00 4.01 H new ATOM 0 HE2 HIS A 10 20.844 -6.191 -18.511 1.00 4.11 H new ATOM 18 N GLN A 11 25.047 -10.172 -14.326 1.00 1.60 N ATOM 19 CA GLN A 11 26.050 -10.875 -13.538 1.00 1.56 C ATOM 20 C GLN A 11 25.458 -11.321 -12.213 1.00 1.29 C ATOM 21 O GLN A 11 25.618 -12.472 -11.808 1.00 1.26 O ATOM 22 CB GLN A 11 27.269 -9.988 -13.285 1.00 1.75 C ATOM 23 CG GLN A 11 28.183 -9.848 -14.493 1.00 2.28 C ATOM 24 CD GLN A 11 27.757 -8.721 -15.413 1.00 3.08 C ATOM 25 OE1 GLN A 11 27.731 -7.559 -15.014 1.00 3.64 O ATOM 26 NE2 GLN A 11 27.419 -9.061 -16.652 1.00 3.73 N ATOM 0 H GLN A 11 25.249 -9.185 -14.486 1.00 1.60 H new ATOM 0 HA GLN A 11 26.370 -11.750 -14.104 1.00 1.56 H new ATOM 0 HB2 GLN A 11 26.930 -8.998 -12.980 1.00 1.75 H new ATOM 0 HB3 GLN A 11 27.841 -10.400 -12.453 1.00 1.75 H new ATOM 0 HG2 GLN A 11 29.204 -9.671 -14.154 1.00 2.28 H new ATOM 0 HG3 GLN A 11 28.190 -10.785 -15.050 1.00 2.28 H new ATOM 0 HE21 GLN A 11 27.455 -10.039 -16.940 1.00 3.73 H new ATOM 0 HE22 GLN A 11 27.123 -8.344 -17.315 1.00 3.73 H new ATOM 35 N PHE A 12 24.771 -10.410 -11.528 1.00 1.14 N ATOM 36 CA PHE A 12 24.175 -10.753 -10.247 1.00 0.98 C ATOM 37 C PHE A 12 23.290 -11.976 -10.405 1.00 0.94 C ATOM 38 O PHE A 12 23.295 -12.856 -9.557 1.00 0.91 O ATOM 39 CB PHE A 12 23.374 -9.594 -9.643 1.00 0.98 C ATOM 40 CG PHE A 12 22.831 -9.920 -8.274 1.00 0.86 C ATOM 41 CD1 PHE A 12 23.689 -10.254 -7.232 1.00 0.83 C ATOM 42 CD2 PHE A 12 21.466 -9.923 -8.034 1.00 0.86 C ATOM 43 CE1 PHE A 12 23.194 -10.577 -5.984 1.00 0.77 C ATOM 44 CE2 PHE A 12 20.967 -10.249 -6.784 1.00 0.82 C ATOM 45 CZ PHE A 12 21.834 -10.575 -5.759 1.00 0.76 C ATOM 0 H PHE A 12 24.617 -9.449 -11.833 1.00 1.14 H new ATOM 0 HA PHE A 12 24.989 -10.971 -9.555 1.00 0.98 H new ATOM 0 HB2 PHE A 12 24.011 -8.712 -9.577 1.00 0.98 H new ATOM 0 HB3 PHE A 12 22.548 -9.342 -10.308 1.00 0.98 H new ATOM 0 HD1 PHE A 12 24.756 -10.261 -7.401 1.00 0.83 H new ATOM 0 HD2 PHE A 12 20.783 -9.668 -8.831 1.00 0.86 H new ATOM 0 HE1 PHE A 12 23.873 -10.831 -5.184 1.00 0.77 H new ATOM 0 HE2 PHE A 12 19.901 -10.248 -6.611 1.00 0.82 H new ATOM 0 HZ PHE A 12 21.447 -10.828 -4.783 1.00 0.76 H new ATOM 55 N PHE A 13 22.548 -12.047 -11.512 1.00 1.03 N ATOM 56 CA PHE A 13 21.687 -13.197 -11.763 1.00 1.16 C ATOM 57 C PHE A 13 22.472 -14.477 -11.521 1.00 1.12 C ATOM 58 O PHE A 13 22.063 -15.337 -10.738 1.00 1.08 O ATOM 59 CB PHE A 13 21.144 -13.169 -13.197 1.00 1.42 C ATOM 60 CG PHE A 13 19.878 -13.961 -13.369 1.00 1.67 C ATOM 61 CD1 PHE A 13 19.888 -15.342 -13.252 1.00 2.16 C ATOM 62 CD2 PHE A 13 18.676 -13.325 -13.638 1.00 1.91 C ATOM 63 CE1 PHE A 13 18.723 -16.073 -13.397 1.00 2.70 C ATOM 64 CE2 PHE A 13 17.510 -14.051 -13.786 1.00 2.42 C ATOM 65 CZ PHE A 13 17.534 -15.426 -13.666 1.00 2.77 C ATOM 0 H PHE A 13 22.527 -11.331 -12.238 1.00 1.03 H new ATOM 0 HA PHE A 13 20.837 -13.158 -11.081 1.00 1.16 H new ATOM 0 HB2 PHE A 13 20.960 -12.135 -13.488 1.00 1.42 H new ATOM 0 HB3 PHE A 13 21.904 -13.560 -13.874 1.00 1.42 H new ATOM 0 HD1 PHE A 13 20.817 -15.853 -13.045 1.00 2.16 H new ATOM 0 HD2 PHE A 13 18.651 -12.249 -13.733 1.00 1.91 H new ATOM 0 HE1 PHE A 13 18.744 -17.148 -13.300 1.00 2.70 H new ATOM 0 HE2 PHE A 13 16.580 -13.543 -13.995 1.00 2.42 H new ATOM 0 HZ PHE A 13 16.623 -15.995 -13.782 1.00 2.77 H new ATOM 75 N ARG A 14 23.629 -14.579 -12.174 1.00 1.21 N ATOM 76 CA ARG A 14 24.494 -15.737 -12.004 1.00 1.30 C ATOM 77 C ARG A 14 24.896 -15.858 -10.540 1.00 1.14 C ATOM 78 O ARG A 14 24.711 -16.903 -9.927 1.00 1.12 O ATOM 79 CB ARG A 14 25.736 -15.628 -12.899 1.00 1.55 C ATOM 80 CG ARG A 14 26.732 -16.770 -12.726 1.00 1.71 C ATOM 81 CD ARG A 14 28.156 -16.253 -12.590 1.00 2.48 C ATOM 82 NE ARG A 14 28.406 -15.681 -11.267 1.00 2.80 N ATOM 83 CZ ARG A 14 28.845 -16.382 -10.225 1.00 3.53 C ATOM 84 NH1 ARG A 14 29.073 -17.681 -10.352 1.00 3.79 N ATOM 85 NH2 ARG A 14 29.059 -15.786 -9.058 1.00 4.35 N ATOM 0 H ARG A 14 23.984 -13.876 -12.822 1.00 1.21 H new ATOM 0 HA ARG A 14 23.949 -16.633 -12.301 1.00 1.30 H new ATOM 0 HB2 ARG A 14 25.418 -15.593 -13.941 1.00 1.55 H new ATOM 0 HB3 ARG A 14 26.241 -14.685 -12.688 1.00 1.55 H new ATOM 0 HG2 ARG A 14 26.469 -17.352 -11.843 1.00 1.71 H new ATOM 0 HG3 ARG A 14 26.668 -17.442 -13.582 1.00 1.71 H new ATOM 0 HD2 ARG A 14 28.857 -17.068 -12.771 1.00 2.48 H new ATOM 0 HD3 ARG A 14 28.342 -15.497 -13.353 1.00 2.48 H new ATOM 0 HE ARG A 14 28.233 -14.684 -11.135 1.00 2.80 H new ATOM 0 HH11 ARG A 14 28.912 -18.142 -11.248 1.00 3.79 H new ATOM 0 HH12 ARG A 14 29.410 -18.220 -9.554 1.00 3.79 H new ATOM 0 HH21 ARG A 14 28.887 -14.786 -8.957 1.00 4.35 H new ATOM 0 HH22 ARG A 14 29.396 -16.328 -8.262 1.00 4.35 H new ATOM 99 N ASP A 15 25.431 -14.774 -9.977 1.00 1.12 N ATOM 100 CA ASP A 15 25.838 -14.764 -8.572 1.00 1.14 C ATOM 101 C ASP A 15 24.734 -15.353 -7.691 1.00 1.00 C ATOM 102 O ASP A 15 24.997 -16.160 -6.800 1.00 1.05 O ATOM 103 CB ASP A 15 26.165 -13.339 -8.107 1.00 1.29 C ATOM 104 CG ASP A 15 27.068 -12.585 -9.072 1.00 1.49 C ATOM 105 OD1 ASP A 15 27.698 -13.232 -9.936 1.00 2.10 O ATOM 106 OD2 ASP A 15 27.153 -11.344 -8.954 1.00 1.84 O ATOM 0 H ASP A 15 25.592 -13.896 -10.470 1.00 1.12 H new ATOM 0 HA ASP A 15 26.735 -15.376 -8.479 1.00 1.14 H new ATOM 0 HB2 ASP A 15 25.236 -12.783 -7.980 1.00 1.29 H new ATOM 0 HB3 ASP A 15 26.646 -13.384 -7.130 1.00 1.29 H new ATOM 111 N MET A 16 23.492 -14.949 -7.955 1.00 0.93 N ATOM 112 CA MET A 16 22.347 -15.438 -7.198 1.00 0.98 C ATOM 113 C MET A 16 22.337 -16.961 -7.201 1.00 0.88 C ATOM 114 O MET A 16 22.424 -17.592 -6.151 1.00 0.88 O ATOM 115 CB MET A 16 21.042 -14.892 -7.790 1.00 1.15 C ATOM 116 CG MET A 16 20.132 -14.234 -6.763 1.00 1.45 C ATOM 117 SD MET A 16 18.490 -14.979 -6.712 1.00 1.92 S ATOM 118 CE MET A 16 18.880 -16.623 -6.118 1.00 2.23 C ATOM 0 H MET A 16 23.256 -14.282 -8.690 1.00 0.93 H new ATOM 0 HA MET A 16 22.428 -15.088 -6.169 1.00 0.98 H new ATOM 0 HB2 MET A 16 21.282 -14.167 -8.567 1.00 1.15 H new ATOM 0 HB3 MET A 16 20.502 -15.708 -8.271 1.00 1.15 H new ATOM 0 HG2 MET A 16 20.591 -14.307 -5.777 1.00 1.45 H new ATOM 0 HG3 MET A 16 20.038 -13.173 -6.993 1.00 1.45 H new ATOM 0 HE1 MET A 16 17.970 -17.108 -5.765 1.00 2.23 H new ATOM 0 HE2 MET A 16 19.313 -17.209 -6.928 1.00 2.23 H new ATOM 0 HE3 MET A 16 19.595 -16.554 -5.298 1.00 2.23 H new ATOM 128 N ASP A 17 22.268 -17.547 -8.393 1.00 0.91 N ATOM 129 CA ASP A 17 22.288 -18.997 -8.522 1.00 0.97 C ATOM 130 C ASP A 17 23.510 -19.555 -7.809 1.00 0.88 C ATOM 131 O ASP A 17 23.413 -20.516 -7.055 1.00 0.86 O ATOM 132 CB ASP A 17 22.310 -19.414 -9.998 1.00 1.19 C ATOM 133 CG ASP A 17 22.069 -20.902 -10.187 1.00 1.80 C ATOM 134 OD1 ASP A 17 22.851 -21.708 -9.635 1.00 2.44 O ATOM 135 OD2 ASP A 17 21.100 -21.264 -10.889 1.00 2.46 O ATOM 0 H ASP A 17 22.198 -17.042 -9.277 1.00 0.91 H new ATOM 0 HA ASP A 17 21.383 -19.399 -8.066 1.00 0.97 H new ATOM 0 HB2 ASP A 17 21.549 -18.854 -10.541 1.00 1.19 H new ATOM 0 HB3 ASP A 17 23.273 -19.147 -10.433 1.00 1.19 H new ATOM 140 N ASP A 18 24.659 -18.922 -8.041 1.00 0.95 N ATOM 141 CA ASP A 18 25.906 -19.335 -7.410 1.00 1.09 C ATOM 142 C ASP A 18 25.688 -19.569 -5.920 1.00 1.01 C ATOM 143 O ASP A 18 26.181 -20.543 -5.359 1.00 1.05 O ATOM 144 CB ASP A 18 26.993 -18.273 -7.626 1.00 1.33 C ATOM 145 CG ASP A 18 26.431 -16.869 -7.780 1.00 1.90 C ATOM 146 OD1 ASP A 18 25.297 -16.621 -7.322 1.00 2.48 O ATOM 147 OD2 ASP A 18 27.136 -16.011 -8.350 1.00 2.49 O ATOM 0 H ASP A 18 24.749 -18.119 -8.664 1.00 0.95 H new ATOM 0 HA ASP A 18 26.236 -20.267 -7.868 1.00 1.09 H new ATOM 0 HB2 ASP A 18 27.683 -18.291 -6.783 1.00 1.33 H new ATOM 0 HB3 ASP A 18 27.569 -18.527 -8.516 1.00 1.33 H new ATOM 152 N GLU A 19 24.933 -18.670 -5.292 1.00 1.02 N ATOM 153 CA GLU A 19 24.633 -18.777 -3.867 1.00 1.12 C ATOM 154 C GLU A 19 24.063 -20.146 -3.539 1.00 0.89 C ATOM 155 O GLU A 19 24.711 -20.975 -2.904 1.00 0.88 O ATOM 156 CB GLU A 19 23.578 -17.734 -3.517 1.00 1.38 C ATOM 157 CG GLU A 19 24.011 -16.312 -3.762 1.00 2.04 C ATOM 158 CD GLU A 19 24.915 -16.184 -4.971 1.00 2.53 C ATOM 159 OE1 GLU A 19 24.388 -16.093 -6.100 1.00 3.02 O ATOM 160 OE2 GLU A 19 26.152 -16.189 -4.791 1.00 3.07 O ATOM 0 H GLU A 19 24.517 -17.858 -5.749 1.00 1.02 H new ATOM 0 HA GLU A 19 25.552 -18.624 -3.302 1.00 1.12 H new ATOM 0 HB2 GLU A 19 22.679 -17.934 -4.099 1.00 1.38 H new ATOM 0 HB3 GLU A 19 23.309 -17.844 -2.467 1.00 1.38 H new ATOM 0 HG2 GLU A 19 23.130 -15.686 -3.903 1.00 2.04 H new ATOM 0 HG3 GLU A 19 24.532 -15.937 -2.881 1.00 2.04 H new ATOM 167 N GLU A 20 22.858 -20.383 -4.020 1.00 0.84 N ATOM 168 CA GLU A 20 22.193 -21.666 -3.812 1.00 0.84 C ATOM 169 C GLU A 20 23.120 -22.794 -4.233 1.00 0.73 C ATOM 170 O GLU A 20 23.168 -23.851 -3.599 1.00 0.78 O ATOM 171 CB GLU A 20 20.880 -21.731 -4.599 1.00 1.03 C ATOM 172 CG GLU A 20 19.698 -21.100 -3.875 1.00 1.61 C ATOM 173 CD GLU A 20 18.959 -22.085 -2.986 1.00 1.98 C ATOM 174 OE1 GLU A 20 18.771 -23.243 -3.410 1.00 2.50 O ATOM 175 OE2 GLU A 20 18.572 -21.695 -1.864 1.00 2.49 O ATOM 0 H GLU A 20 22.315 -19.708 -4.558 1.00 0.84 H new ATOM 0 HA GLU A 20 21.956 -21.773 -2.753 1.00 0.84 H new ATOM 0 HB2 GLU A 20 21.017 -21.230 -5.557 1.00 1.03 H new ATOM 0 HB3 GLU A 20 20.648 -22.774 -4.814 1.00 1.03 H new ATOM 0 HG2 GLU A 20 20.052 -20.266 -3.269 1.00 1.61 H new ATOM 0 HG3 GLU A 20 19.005 -20.689 -4.609 1.00 1.61 H new ATOM 182 N SER A 21 23.872 -22.550 -5.299 1.00 0.75 N ATOM 183 CA SER A 21 24.820 -23.526 -5.799 1.00 0.89 C ATOM 184 C SER A 21 25.889 -23.789 -4.748 1.00 0.84 C ATOM 185 O SER A 21 26.350 -24.920 -4.603 1.00 0.91 O ATOM 186 CB SER A 21 25.449 -23.045 -7.109 1.00 1.14 C ATOM 187 OG SER A 21 24.805 -23.634 -8.227 1.00 1.59 O ATOM 0 H SER A 21 23.840 -21.681 -5.832 1.00 0.75 H new ATOM 0 HA SER A 21 24.294 -24.458 -6.005 1.00 0.89 H new ATOM 0 HB2 SER A 21 25.378 -21.959 -7.174 1.00 1.14 H new ATOM 0 HB3 SER A 21 26.510 -23.296 -7.121 1.00 1.14 H new ATOM 0 HG SER A 21 24.197 -22.983 -8.635 1.00 1.59 H new ATOM 193 N TRP A 22 26.259 -22.752 -3.985 1.00 0.91 N ATOM 194 CA TRP A 22 27.255 -22.922 -2.935 1.00 1.05 C ATOM 195 C TRP A 22 26.817 -24.035 -2.014 1.00 0.87 C ATOM 196 O TRP A 22 27.523 -25.014 -1.853 1.00 0.92 O ATOM 197 CB TRP A 22 27.474 -21.659 -2.083 1.00 1.38 C ATOM 198 CG TRP A 22 28.349 -21.969 -0.903 1.00 1.53 C ATOM 199 CD1 TRP A 22 27.964 -22.481 0.302 1.00 2.19 C ATOM 200 CD2 TRP A 22 29.766 -21.846 -0.844 1.00 1.39 C ATOM 201 NE1 TRP A 22 29.067 -22.702 1.091 1.00 2.16 N ATOM 202 CE2 TRP A 22 30.186 -22.314 0.404 1.00 1.65 C ATOM 203 CE3 TRP A 22 30.716 -21.387 -1.735 1.00 1.73 C ATOM 204 CZ2 TRP A 22 31.529 -22.342 0.769 1.00 1.79 C ATOM 205 CZ3 TRP A 22 32.045 -21.404 -1.379 1.00 2.24 C ATOM 206 CH2 TRP A 22 32.441 -21.886 -0.134 1.00 2.11 C ATOM 0 H TRP A 22 25.888 -21.806 -4.077 1.00 0.91 H new ATOM 0 HA TRP A 22 28.196 -23.148 -3.436 1.00 1.05 H new ATOM 0 HB2 TRP A 22 27.934 -20.879 -2.690 1.00 1.38 H new ATOM 0 HB3 TRP A 22 26.514 -21.273 -1.740 1.00 1.38 H new ATOM 0 HD1 TRP A 22 26.944 -22.683 0.592 1.00 2.19 H new ATOM 0 HE1 TRP A 22 29.054 -23.091 2.034 1.00 2.16 H new ATOM 0 HE3 TRP A 22 30.418 -21.017 -2.705 1.00 1.73 H new ATOM 0 HZ2 TRP A 22 31.837 -22.713 1.735 1.00 1.79 H new ATOM 0 HZ3 TRP A 22 32.789 -21.040 -2.072 1.00 2.24 H new ATOM 0 HH2 TRP A 22 33.491 -21.898 0.120 1.00 2.11 H new ATOM 217 N ILE A 23 25.647 -23.867 -1.400 1.00 0.80 N ATOM 218 CA ILE A 23 25.131 -24.873 -0.481 1.00 0.90 C ATOM 219 C ILE A 23 25.421 -26.280 -1.000 1.00 0.87 C ATOM 220 O ILE A 23 26.037 -27.089 -0.307 1.00 0.95 O ATOM 221 CB ILE A 23 23.609 -24.709 -0.252 1.00 1.16 C ATOM 222 CG1 ILE A 23 23.275 -23.283 0.214 1.00 1.34 C ATOM 223 CG2 ILE A 23 23.110 -25.732 0.760 1.00 1.46 C ATOM 224 CD1 ILE A 23 23.994 -22.860 1.478 1.00 1.92 C ATOM 0 H ILE A 23 25.046 -23.052 -1.522 1.00 0.80 H new ATOM 0 HA ILE A 23 25.640 -24.728 0.472 1.00 0.90 H new ATOM 0 HB ILE A 23 23.102 -24.883 -1.201 1.00 1.16 H new ATOM 0 HG12 ILE A 23 23.525 -22.584 -0.584 1.00 1.34 H new ATOM 0 HG13 ILE A 23 22.200 -23.209 0.378 1.00 1.34 H new ATOM 0 HG21 ILE A 23 22.038 -25.603 0.910 1.00 1.46 H new ATOM 0 HG22 ILE A 23 23.306 -26.738 0.388 1.00 1.46 H new ATOM 0 HG23 ILE A 23 23.628 -25.589 1.708 1.00 1.46 H new ATOM 0 HD11 ILE A 23 23.703 -21.842 1.739 1.00 1.92 H new ATOM 0 HD12 ILE A 23 23.726 -23.534 2.292 1.00 1.92 H new ATOM 0 HD13 ILE A 23 25.071 -22.899 1.314 1.00 1.92 H new ATOM 236 N LYS A 24 24.991 -26.561 -2.224 1.00 0.92 N ATOM 237 CA LYS A 24 25.219 -27.872 -2.830 1.00 1.18 C ATOM 238 C LYS A 24 26.708 -28.209 -2.861 1.00 1.21 C ATOM 239 O LYS A 24 27.124 -29.284 -2.432 1.00 1.38 O ATOM 240 CB LYS A 24 24.657 -27.918 -4.260 1.00 1.40 C ATOM 241 CG LYS A 24 23.634 -26.835 -4.565 1.00 2.00 C ATOM 242 CD LYS A 24 23.073 -26.958 -5.979 1.00 2.68 C ATOM 243 CE LYS A 24 24.158 -27.244 -7.013 1.00 3.24 C ATOM 244 NZ LYS A 24 25.294 -26.286 -6.922 1.00 3.58 N ATOM 0 H LYS A 24 24.484 -25.903 -2.816 1.00 0.92 H new ATOM 0 HA LYS A 24 24.701 -28.610 -2.218 1.00 1.18 H new ATOM 0 HB2 LYS A 24 25.483 -27.830 -4.966 1.00 1.40 H new ATOM 0 HB3 LYS A 24 24.198 -28.892 -4.426 1.00 1.40 H new ATOM 0 HG2 LYS A 24 22.818 -26.895 -3.845 1.00 2.00 H new ATOM 0 HG3 LYS A 24 24.096 -25.855 -4.443 1.00 2.00 H new ATOM 0 HD2 LYS A 24 22.331 -27.756 -6.004 1.00 2.68 H new ATOM 0 HD3 LYS A 24 22.557 -26.035 -6.244 1.00 2.68 H new ATOM 0 HE2 LYS A 24 24.530 -28.259 -6.874 1.00 3.24 H new ATOM 0 HE3 LYS A 24 23.725 -27.197 -8.012 1.00 3.24 H new ATOM 0 HZ1 LYS A 24 26.173 -26.762 -7.210 1.00 3.58 H new ATOM 0 HZ2 LYS A 24 25.117 -25.476 -7.550 1.00 3.58 H new ATOM 0 HZ3 LYS A 24 25.387 -25.950 -5.942 1.00 3.58 H new ATOM 258 N GLU A 25 27.500 -27.282 -3.384 1.00 1.18 N ATOM 259 CA GLU A 25 28.943 -27.462 -3.498 1.00 1.40 C ATOM 260 C GLU A 25 29.591 -27.734 -2.141 1.00 1.37 C ATOM 261 O GLU A 25 30.478 -28.582 -2.028 1.00 1.59 O ATOM 262 CB GLU A 25 29.563 -26.223 -4.150 1.00 1.58 C ATOM 263 CG GLU A 25 29.685 -26.332 -5.662 1.00 2.34 C ATOM 264 CD GLU A 25 28.335 -26.420 -6.350 1.00 2.86 C ATOM 265 OE1 GLU A 25 27.718 -27.506 -6.313 1.00 3.26 O ATOM 266 OE2 GLU A 25 27.892 -25.404 -6.922 1.00 3.45 O ATOM 0 H GLU A 25 27.163 -26.388 -3.740 1.00 1.18 H new ATOM 0 HA GLU A 25 29.129 -28.335 -4.123 1.00 1.40 H new ATOM 0 HB2 GLU A 25 28.957 -25.351 -3.904 1.00 1.58 H new ATOM 0 HB3 GLU A 25 30.552 -26.054 -3.724 1.00 1.58 H new ATOM 0 HG2 GLU A 25 30.227 -25.466 -6.043 1.00 2.34 H new ATOM 0 HG3 GLU A 25 30.275 -27.213 -5.913 1.00 2.34 H new ATOM 273 N LYS A 26 29.141 -27.021 -1.115 1.00 1.19 N ATOM 274 CA LYS A 26 29.673 -27.194 0.227 1.00 1.29 C ATOM 275 C LYS A 26 29.250 -28.552 0.781 1.00 1.31 C ATOM 276 O LYS A 26 30.074 -29.304 1.303 1.00 1.49 O ATOM 277 CB LYS A 26 29.202 -26.049 1.133 1.00 1.34 C ATOM 278 CG LYS A 26 29.813 -26.071 2.528 1.00 1.63 C ATOM 279 CD LYS A 26 28.922 -26.803 3.522 1.00 2.01 C ATOM 280 CE LYS A 26 29.737 -27.635 4.500 1.00 2.27 C ATOM 281 NZ LYS A 26 30.458 -26.789 5.488 1.00 2.77 N ATOM 0 H LYS A 26 28.407 -26.317 -1.190 1.00 1.19 H new ATOM 0 HA LYS A 26 30.762 -27.166 0.192 1.00 1.29 H new ATOM 0 HB2 LYS A 26 29.444 -25.099 0.656 1.00 1.34 H new ATOM 0 HB3 LYS A 26 28.117 -26.093 1.222 1.00 1.34 H new ATOM 0 HG2 LYS A 26 30.789 -26.554 2.490 1.00 1.63 H new ATOM 0 HG3 LYS A 26 29.976 -25.049 2.870 1.00 1.63 H new ATOM 0 HD2 LYS A 26 28.320 -26.080 4.073 1.00 2.01 H new ATOM 0 HD3 LYS A 26 28.230 -27.449 2.983 1.00 2.01 H new ATOM 0 HE2 LYS A 26 29.077 -28.324 5.027 1.00 2.27 H new ATOM 0 HE3 LYS A 26 30.456 -28.241 3.949 1.00 2.27 H new ATOM 0 HZ1 LYS A 26 31.000 -27.396 6.135 1.00 2.77 H new ATOM 0 HZ2 LYS A 26 31.107 -26.148 4.988 1.00 2.77 H new ATOM 0 HZ3 LYS A 26 29.771 -26.230 6.033 1.00 2.77 H new ATOM 295 N LYS A 27 27.964 -28.879 0.636 1.00 1.25 N ATOM 296 CA LYS A 27 27.446 -30.162 1.100 1.00 1.48 C ATOM 297 C LYS A 27 28.224 -31.302 0.449 1.00 1.65 C ATOM 298 O LYS A 27 28.495 -32.326 1.076 1.00 1.84 O ATOM 299 CB LYS A 27 25.956 -30.286 0.765 1.00 1.61 C ATOM 300 CG LYS A 27 25.342 -31.621 1.170 1.00 2.10 C ATOM 301 CD LYS A 27 25.315 -31.798 2.684 1.00 2.50 C ATOM 302 CE LYS A 27 26.038 -33.066 3.119 1.00 3.05 C ATOM 303 NZ LYS A 27 25.607 -34.255 2.331 1.00 3.62 N ATOM 0 H LYS A 27 27.267 -28.274 0.202 1.00 1.25 H new ATOM 0 HA LYS A 27 27.567 -30.219 2.182 1.00 1.48 H new ATOM 0 HB2 LYS A 27 25.414 -29.482 1.262 1.00 1.61 H new ATOM 0 HB3 LYS A 27 25.822 -30.146 -0.308 1.00 1.61 H new ATOM 0 HG2 LYS A 27 24.327 -31.687 0.779 1.00 2.10 H new ATOM 0 HG3 LYS A 27 25.911 -32.434 0.719 1.00 2.10 H new ATOM 0 HD2 LYS A 27 25.779 -30.934 3.159 1.00 2.50 H new ATOM 0 HD3 LYS A 27 24.281 -31.833 3.027 1.00 2.50 H new ATOM 0 HE2 LYS A 27 27.113 -32.927 3.006 1.00 3.05 H new ATOM 0 HE3 LYS A 27 25.850 -33.245 4.178 1.00 3.05 H new ATOM 0 HZ1 LYS A 27 25.346 -35.025 2.979 1.00 3.62 H new ATOM 0 HZ2 LYS A 27 24.786 -34.003 1.744 1.00 3.62 H new ATOM 0 HZ3 LYS A 27 26.388 -34.568 1.719 1.00 3.62 H new ATOM 317 N LEU A 28 28.587 -31.107 -0.817 1.00 1.65 N ATOM 318 CA LEU A 28 29.344 -32.107 -1.558 1.00 1.92 C ATOM 319 C LEU A 28 30.712 -32.300 -0.917 1.00 1.96 C ATOM 320 O LEU A 28 31.159 -33.427 -0.710 1.00 2.16 O ATOM 321 CB LEU A 28 29.499 -31.681 -3.024 1.00 2.05 C ATOM 322 CG LEU A 28 29.714 -32.826 -4.022 1.00 2.51 C ATOM 323 CD1 LEU A 28 30.986 -33.597 -3.697 1.00 3.19 C ATOM 324 CD2 LEU A 28 28.509 -33.757 -4.037 1.00 2.78 C ATOM 0 H LEU A 28 28.368 -30.265 -1.349 1.00 1.65 H new ATOM 0 HA LEU A 28 28.802 -33.053 -1.529 1.00 1.92 H new ATOM 0 HB2 LEU A 28 28.609 -31.126 -3.320 1.00 2.05 H new ATOM 0 HB3 LEU A 28 30.342 -30.994 -3.098 1.00 2.05 H new ATOM 0 HG LEU A 28 29.826 -32.394 -5.016 1.00 2.51 H new ATOM 0 HD11 LEU A 28 31.117 -34.404 -4.418 1.00 3.19 H new ATOM 0 HD12 LEU A 28 31.842 -32.924 -3.746 1.00 3.19 H new ATOM 0 HD13 LEU A 28 30.911 -34.016 -2.694 1.00 3.19 H new ATOM 0 HD21 LEU A 28 28.681 -34.563 -4.751 1.00 2.78 H new ATOM 0 HD22 LEU A 28 28.362 -34.178 -3.043 1.00 2.78 H new ATOM 0 HD23 LEU A 28 27.620 -33.197 -4.328 1.00 2.78 H new ATOM 336 N LEU A 29 31.365 -31.187 -0.593 1.00 1.84 N ATOM 337 CA LEU A 29 32.680 -31.225 0.037 1.00 2.00 C ATOM 338 C LEU A 29 32.651 -32.127 1.264 1.00 2.03 C ATOM 339 O LEU A 29 33.514 -32.989 1.442 1.00 2.24 O ATOM 340 CB LEU A 29 33.119 -29.813 0.437 1.00 2.00 C ATOM 341 CG LEU A 29 34.633 -29.577 0.441 1.00 2.43 C ATOM 342 CD1 LEU A 29 35.163 -29.481 -0.982 1.00 3.08 C ATOM 343 CD2 LEU A 29 34.975 -28.320 1.230 1.00 3.02 C ATOM 0 H LEU A 29 31.004 -30.247 -0.757 1.00 1.84 H new ATOM 0 HA LEU A 29 33.396 -31.627 -0.680 1.00 2.00 H new ATOM 0 HB2 LEU A 29 32.658 -29.099 -0.246 1.00 2.00 H new ATOM 0 HB3 LEU A 29 32.731 -29.598 1.433 1.00 2.00 H new ATOM 0 HG LEU A 29 35.113 -30.427 0.927 1.00 2.43 H new ATOM 0 HD11 LEU A 29 36.240 -29.313 -0.959 1.00 3.08 H new ATOM 0 HD12 LEU A 29 34.952 -30.410 -1.512 1.00 3.08 H new ATOM 0 HD13 LEU A 29 34.678 -28.651 -1.496 1.00 3.08 H new ATOM 0 HD21 LEU A 29 36.054 -28.168 1.222 1.00 3.02 H new ATOM 0 HD22 LEU A 29 34.484 -27.460 0.775 1.00 3.02 H new ATOM 0 HD23 LEU A 29 34.632 -28.431 2.259 1.00 3.02 H new ATOM 355 N VAL A 30 31.643 -31.924 2.106 1.00 1.90 N ATOM 356 CA VAL A 30 31.481 -32.714 3.320 1.00 2.05 C ATOM 357 C VAL A 30 31.373 -34.198 2.991 1.00 2.27 C ATOM 358 O VAL A 30 32.047 -35.028 3.597 1.00 2.48 O ATOM 359 CB VAL A 30 30.228 -32.282 4.111 1.00 2.03 C ATOM 360 CG1 VAL A 30 30.195 -32.953 5.479 1.00 2.35 C ATOM 361 CG2 VAL A 30 30.171 -30.766 4.253 1.00 2.26 C ATOM 0 H VAL A 30 30.923 -31.215 1.968 1.00 1.90 H new ATOM 0 HA VAL A 30 32.364 -32.540 3.934 1.00 2.05 H new ATOM 0 HB VAL A 30 29.349 -32.603 3.552 1.00 2.03 H new ATOM 0 HG11 VAL A 30 29.304 -32.634 6.019 1.00 2.35 H new ATOM 0 HG12 VAL A 30 30.175 -34.036 5.353 1.00 2.35 H new ATOM 0 HG13 VAL A 30 31.083 -32.670 6.045 1.00 2.35 H new ATOM 0 HG21 VAL A 30 29.279 -30.486 4.814 1.00 2.26 H new ATOM 0 HG22 VAL A 30 31.057 -30.417 4.783 1.00 2.26 H new ATOM 0 HG23 VAL A 30 30.136 -30.309 3.264 1.00 2.26 H new ATOM 371 N SER A 31 30.513 -34.522 2.030 1.00 2.30 N ATOM 372 CA SER A 31 30.299 -35.907 1.619 1.00 2.61 C ATOM 373 C SER A 31 31.567 -36.523 1.034 1.00 2.74 C ATOM 374 O SER A 31 31.748 -37.740 1.075 1.00 3.01 O ATOM 375 CB SER A 31 29.161 -35.983 0.599 1.00 2.70 C ATOM 376 OG SER A 31 28.054 -35.199 1.010 1.00 2.71 O ATOM 0 H SER A 31 29.951 -33.842 1.519 1.00 2.30 H new ATOM 0 HA SER A 31 30.029 -36.479 2.507 1.00 2.61 H new ATOM 0 HB2 SER A 31 29.515 -35.637 -0.372 1.00 2.70 H new ATOM 0 HB3 SER A 31 28.850 -37.020 0.474 1.00 2.70 H new ATOM 0 HG SER A 31 28.247 -34.252 0.850 1.00 2.71 H new ATOM 382 N SER A 32 32.442 -35.681 0.492 1.00 2.63 N ATOM 383 CA SER A 32 33.689 -36.157 -0.096 1.00 2.85 C ATOM 384 C SER A 32 34.699 -36.508 0.989 1.00 2.93 C ATOM 385 O SER A 32 35.227 -37.619 1.021 1.00 3.19 O ATOM 386 CB SER A 32 34.275 -35.102 -1.037 1.00 2.84 C ATOM 387 OG SER A 32 33.326 -34.706 -2.010 1.00 3.16 O ATOM 0 H SER A 32 32.311 -34.670 0.448 1.00 2.63 H new ATOM 0 HA SER A 32 33.470 -37.057 -0.670 1.00 2.85 H new ATOM 0 HB2 SER A 32 34.595 -34.233 -0.461 1.00 2.84 H new ATOM 0 HB3 SER A 32 35.161 -35.501 -1.530 1.00 2.84 H new ATOM 0 HG SER A 32 32.610 -34.194 -1.579 1.00 3.16 H new ATOM 393 N GLU A 33 34.956 -35.552 1.876 1.00 2.79 N ATOM 394 CA GLU A 33 35.900 -35.750 2.970 1.00 2.95 C ATOM 395 C GLU A 33 35.169 -35.805 4.309 1.00 3.13 C ATOM 396 O GLU A 33 34.908 -34.773 4.923 1.00 3.53 O ATOM 397 CB GLU A 33 36.939 -34.622 2.983 1.00 3.57 C ATOM 398 CG GLU A 33 38.005 -34.775 4.060 1.00 3.89 C ATOM 399 CD GLU A 33 37.519 -34.344 5.432 1.00 3.97 C ATOM 400 OE1 GLU A 33 37.278 -33.134 5.624 1.00 4.37 O ATOM 401 OE2 GLU A 33 37.371 -35.216 6.313 1.00 4.15 O ATOM 0 H GLU A 33 34.522 -34.629 1.858 1.00 2.79 H new ATOM 0 HA GLU A 33 36.411 -36.701 2.816 1.00 2.95 H new ATOM 0 HB2 GLU A 33 37.425 -34.578 2.008 1.00 3.57 H new ATOM 0 HB3 GLU A 33 36.426 -33.671 3.126 1.00 3.57 H new ATOM 0 HG2 GLU A 33 38.325 -35.816 4.103 1.00 3.89 H new ATOM 0 HG3 GLU A 33 38.879 -34.184 3.787 1.00 3.89 H new ATOM 540 N GLN A 43 43.296 -38.521 12.169 1.00 3.28 N ATOM 541 CA GLN A 43 43.909 -37.835 11.034 1.00 3.01 C ATOM 542 C GLN A 43 42.842 -37.174 10.169 1.00 2.82 C ATOM 543 O GLN A 43 43.038 -36.076 9.650 1.00 2.61 O ATOM 544 CB GLN A 43 44.739 -38.809 10.191 1.00 3.07 C ATOM 545 CG GLN A 43 45.645 -39.718 11.011 1.00 3.47 C ATOM 546 CD GLN A 43 45.045 -41.095 11.229 1.00 3.77 C ATOM 547 OE1 GLN A 43 45.628 -42.108 10.597 1.00 4.06 O flip ATOM 548 NE2 GLN A 43 44.067 -41.246 11.958 1.00 4.24 N flip ATOM 0 HA GLN A 43 44.573 -37.064 11.425 1.00 3.01 H new ATOM 0 HB2 GLN A 43 44.065 -39.425 9.596 1.00 3.07 H new ATOM 0 HB3 GLN A 43 45.350 -38.239 9.491 1.00 3.07 H new ATOM 0 HG2 GLN A 43 46.605 -39.820 10.506 1.00 3.47 H new ATOM 0 HG3 GLN A 43 45.841 -39.254 11.977 1.00 3.47 H new ATOM 0 HE21 GLN A 43 43.650 -40.441 12.425 1.00 4.24 H new ATOM 0 HE22 GLN A 43 43.673 -42.177 12.096 1.00 4.24 H new ATOM 557 N ASN A 44 41.704 -37.849 10.030 1.00 2.97 N ATOM 558 CA ASN A 44 40.593 -37.330 9.242 1.00 2.93 C ATOM 559 C ASN A 44 40.025 -36.082 9.900 1.00 2.82 C ATOM 560 O ASN A 44 39.733 -35.097 9.227 1.00 2.66 O ATOM 561 CB ASN A 44 39.496 -38.390 9.089 1.00 3.26 C ATOM 562 CG ASN A 44 38.424 -37.983 8.097 1.00 3.37 C ATOM 563 OD1 ASN A 44 37.668 -36.945 8.434 1.00 3.42 O flip ATOM 564 ND2 ASN A 44 38.276 -38.596 7.041 1.00 3.83 N flip ATOM 0 H ASN A 44 41.528 -38.759 10.455 1.00 2.97 H new ATOM 0 HA ASN A 44 40.964 -37.072 8.250 1.00 2.93 H new ATOM 0 HB2 ASN A 44 39.946 -39.329 8.767 1.00 3.26 H new ATOM 0 HB3 ASN A 44 39.036 -38.574 10.060 1.00 3.26 H new ATOM 0 HD21 ASN A 44 38.880 -39.388 6.822 1.00 3.83 H new ATOM 0 HD22 ASN A 44 37.549 -38.312 6.384 1.00 3.83 H new ATOM 571 N LEU A 45 39.886 -36.126 11.223 1.00 3.00 N ATOM 572 CA LEU A 45 39.374 -34.987 11.974 1.00 3.01 C ATOM 573 C LEU A 45 40.243 -33.769 11.696 1.00 2.73 C ATOM 574 O LEU A 45 39.750 -32.716 11.287 1.00 2.57 O ATOM 575 CB LEU A 45 39.348 -35.300 13.474 1.00 3.36 C ATOM 576 CG LEU A 45 38.286 -34.545 14.282 1.00 3.84 C ATOM 577 CD1 LEU A 45 36.887 -35.022 13.912 1.00 4.27 C ATOM 578 CD2 LEU A 45 38.533 -34.717 15.774 1.00 4.23 C ATOM 0 H LEU A 45 40.121 -36.938 11.795 1.00 3.00 H new ATOM 0 HA LEU A 45 38.352 -34.778 11.657 1.00 3.01 H new ATOM 0 HB2 LEU A 45 39.186 -36.370 13.602 1.00 3.36 H new ATOM 0 HB3 LEU A 45 40.329 -35.074 13.893 1.00 3.36 H new ATOM 0 HG LEU A 45 38.359 -33.485 14.039 1.00 3.84 H new ATOM 0 HD11 LEU A 45 36.149 -34.473 14.497 1.00 4.27 H new ATOM 0 HD12 LEU A 45 36.712 -34.847 12.851 1.00 4.27 H new ATOM 0 HD13 LEU A 45 36.798 -36.088 14.123 1.00 4.27 H new ATOM 0 HD21 LEU A 45 37.771 -34.175 16.334 1.00 4.23 H new ATOM 0 HD22 LEU A 45 38.488 -35.775 16.031 1.00 4.23 H new ATOM 0 HD23 LEU A 45 39.517 -34.324 16.028 1.00 4.23 H new ATOM 590 N ARG A 46 41.553 -33.928 11.888 1.00 2.73 N ATOM 591 CA ARG A 46 42.492 -32.846 11.621 1.00 2.59 C ATOM 592 C ARG A 46 42.314 -32.376 10.182 1.00 2.28 C ATOM 593 O ARG A 46 42.337 -31.180 9.892 1.00 2.17 O ATOM 594 CB ARG A 46 43.933 -33.311 11.857 1.00 2.76 C ATOM 595 CG ARG A 46 44.822 -32.253 12.498 1.00 2.97 C ATOM 596 CD ARG A 46 45.097 -31.091 11.551 1.00 3.51 C ATOM 597 NE ARG A 46 44.556 -29.830 12.060 1.00 4.06 N ATOM 598 CZ ARG A 46 44.205 -28.805 11.286 1.00 4.80 C ATOM 599 NH1 ARG A 46 44.335 -28.891 9.969 1.00 5.49 N ATOM 600 NH2 ARG A 46 43.721 -27.695 11.825 1.00 5.15 N ATOM 0 H ARG A 46 41.982 -34.790 12.225 1.00 2.73 H new ATOM 0 HA ARG A 46 42.291 -32.019 12.302 1.00 2.59 H new ATOM 0 HB2 ARG A 46 43.920 -34.196 12.493 1.00 2.76 H new ATOM 0 HB3 ARG A 46 44.369 -33.610 10.904 1.00 2.76 H new ATOM 0 HG2 ARG A 46 44.345 -31.878 13.403 1.00 2.97 H new ATOM 0 HG3 ARG A 46 45.766 -32.707 12.800 1.00 2.97 H new ATOM 0 HD2 ARG A 46 46.172 -30.991 11.403 1.00 3.51 H new ATOM 0 HD3 ARG A 46 44.659 -31.306 10.576 1.00 3.51 H new ATOM 0 HE ARG A 46 44.441 -29.730 13.069 1.00 4.06 H new ATOM 0 HH11 ARG A 46 44.704 -29.743 9.548 1.00 5.49 H new ATOM 0 HH12 ARG A 46 44.066 -28.105 9.378 1.00 5.49 H new ATOM 0 HH21 ARG A 46 43.616 -27.623 12.837 1.00 5.15 H new ATOM 0 HH22 ARG A 46 43.454 -26.913 11.228 1.00 5.15 H new ATOM 614 N LYS A 47 42.110 -33.341 9.286 1.00 2.24 N ATOM 615 CA LYS A 47 41.893 -33.053 7.876 1.00 2.12 C ATOM 616 C LYS A 47 40.695 -32.123 7.720 1.00 2.02 C ATOM 617 O LYS A 47 40.757 -31.123 7.004 1.00 1.89 O ATOM 618 CB LYS A 47 41.649 -34.356 7.106 1.00 2.32 C ATOM 619 CG LYS A 47 42.573 -34.560 5.915 1.00 2.70 C ATOM 620 CD LYS A 47 43.423 -35.814 6.072 1.00 3.12 C ATOM 621 CE LYS A 47 42.675 -37.058 5.619 1.00 3.66 C ATOM 622 NZ LYS A 47 42.321 -36.999 4.174 1.00 4.30 N ATOM 0 H LYS A 47 42.091 -34.334 9.518 1.00 2.24 H new ATOM 0 HA LYS A 47 42.779 -32.565 7.470 1.00 2.12 H new ATOM 0 HB2 LYS A 47 41.766 -35.196 7.790 1.00 2.32 H new ATOM 0 HB3 LYS A 47 40.616 -34.371 6.757 1.00 2.32 H new ATOM 0 HG2 LYS A 47 41.981 -34.633 5.003 1.00 2.70 H new ATOM 0 HG3 LYS A 47 43.222 -33.691 5.805 1.00 2.70 H new ATOM 0 HD2 LYS A 47 44.339 -35.708 5.491 1.00 3.12 H new ATOM 0 HD3 LYS A 47 43.718 -35.926 7.115 1.00 3.12 H new ATOM 0 HE2 LYS A 47 43.289 -37.939 5.806 1.00 3.66 H new ATOM 0 HE3 LYS A 47 41.767 -37.171 6.211 1.00 3.66 H new ATOM 0 HZ1 LYS A 47 42.212 -37.965 3.804 1.00 4.30 H new ATOM 0 HZ2 LYS A 47 41.427 -36.480 4.056 1.00 4.30 H new ATOM 0 HZ3 LYS A 47 43.076 -36.511 3.651 1.00 4.30 H new ATOM 636 N LYS A 48 39.611 -32.454 8.419 1.00 2.17 N ATOM 637 CA LYS A 48 38.398 -31.650 8.380 1.00 2.20 C ATOM 638 C LYS A 48 38.707 -30.223 8.803 1.00 2.02 C ATOM 639 O LYS A 48 38.346 -29.275 8.114 1.00 1.90 O ATOM 640 CB LYS A 48 37.320 -32.252 9.288 1.00 2.54 C ATOM 641 CG LYS A 48 36.055 -31.410 9.382 1.00 3.02 C ATOM 642 CD LYS A 48 35.316 -31.343 8.052 1.00 3.19 C ATOM 643 CE LYS A 48 34.392 -32.536 7.860 1.00 3.73 C ATOM 644 NZ LYS A 48 35.141 -33.773 7.504 1.00 4.17 N ATOM 0 H LYS A 48 39.551 -33.276 9.020 1.00 2.17 H new ATOM 0 HA LYS A 48 38.019 -31.643 7.358 1.00 2.20 H new ATOM 0 HB2 LYS A 48 37.059 -33.243 8.918 1.00 2.54 H new ATOM 0 HB3 LYS A 48 37.733 -32.384 10.288 1.00 2.54 H new ATOM 0 HG2 LYS A 48 35.396 -31.829 10.143 1.00 3.02 H new ATOM 0 HG3 LYS A 48 36.314 -30.401 9.705 1.00 3.02 H new ATOM 0 HD2 LYS A 48 34.735 -30.422 8.005 1.00 3.19 H new ATOM 0 HD3 LYS A 48 36.038 -31.307 7.236 1.00 3.19 H new ATOM 0 HE2 LYS A 48 33.826 -32.706 8.776 1.00 3.73 H new ATOM 0 HE3 LYS A 48 33.669 -32.312 7.075 1.00 3.73 H new ATOM 0 HZ1 LYS A 48 34.677 -34.240 6.699 1.00 4.17 H new ATOM 0 HZ2 LYS A 48 36.117 -33.525 7.245 1.00 4.17 H new ATOM 0 HZ3 LYS A 48 35.153 -34.419 8.319 1.00 4.17 H new ATOM 658 N HIS A 49 39.391 -30.080 9.936 1.00 2.10 N ATOM 659 CA HIS A 49 39.763 -28.763 10.439 1.00 2.10 C ATOM 660 C HIS A 49 40.462 -27.971 9.337 1.00 1.82 C ATOM 661 O HIS A 49 40.098 -26.829 9.049 1.00 1.72 O ATOM 662 CB HIS A 49 40.676 -28.891 11.661 1.00 2.37 C ATOM 663 CG HIS A 49 40.610 -27.709 12.578 1.00 2.66 C ATOM 664 ND1 HIS A 49 41.111 -26.465 12.265 1.00 2.97 N ATOM 665 CD2 HIS A 49 40.069 -27.594 13.818 1.00 3.22 C ATOM 666 CE1 HIS A 49 40.864 -25.650 13.300 1.00 3.47 C ATOM 667 NE2 HIS A 49 40.234 -26.286 14.268 1.00 3.60 N ATOM 0 H HIS A 49 39.697 -30.858 10.520 1.00 2.10 H new ATOM 0 HA HIS A 49 38.860 -28.234 10.743 1.00 2.10 H new ATOM 0 HB2 HIS A 49 40.404 -29.788 12.217 1.00 2.37 H new ATOM 0 HB3 HIS A 49 41.704 -29.024 11.325 1.00 2.37 H new ATOM 0 HD2 HIS A 49 39.588 -28.389 14.368 1.00 3.22 H new ATOM 0 HE1 HIS A 49 41.145 -24.608 13.336 1.00 3.47 H new ATOM 0 HE2 HIS A 49 39.930 -25.900 15.162 1.00 3.60 H new ATOM 675 N LYS A 50 41.457 -28.597 8.710 1.00 1.76 N ATOM 676 CA LYS A 50 42.191 -27.963 7.621 1.00 1.67 C ATOM 677 C LYS A 50 41.222 -27.539 6.526 1.00 1.49 C ATOM 678 O LYS A 50 41.342 -26.455 5.953 1.00 1.46 O ATOM 679 CB LYS A 50 43.245 -28.916 7.052 1.00 1.79 C ATOM 680 CG LYS A 50 44.506 -28.211 6.566 1.00 2.13 C ATOM 681 CD LYS A 50 44.384 -27.777 5.110 1.00 2.64 C ATOM 682 CE LYS A 50 44.910 -26.365 4.896 1.00 3.07 C ATOM 683 NZ LYS A 50 43.917 -25.333 5.303 1.00 3.17 N ATOM 0 H LYS A 50 41.771 -29.540 8.938 1.00 1.76 H new ATOM 0 HA LYS A 50 42.701 -27.082 8.010 1.00 1.67 H new ATOM 0 HB2 LYS A 50 43.517 -29.642 7.818 1.00 1.79 H new ATOM 0 HB3 LYS A 50 42.809 -29.474 6.224 1.00 1.79 H new ATOM 0 HG2 LYS A 50 44.699 -27.339 7.191 1.00 2.13 H new ATOM 0 HG3 LYS A 50 45.361 -28.878 6.677 1.00 2.13 H new ATOM 0 HD2 LYS A 50 44.936 -28.471 4.476 1.00 2.64 H new ATOM 0 HD3 LYS A 50 43.340 -27.827 4.802 1.00 2.64 H new ATOM 0 HE2 LYS A 50 45.828 -26.230 5.467 1.00 3.07 H new ATOM 0 HE3 LYS A 50 45.165 -26.228 3.845 1.00 3.07 H new ATOM 0 HZ1 LYS A 50 43.780 -24.657 4.525 1.00 3.17 H new ATOM 0 HZ2 LYS A 50 43.011 -25.792 5.526 1.00 3.17 H new ATOM 0 HZ3 LYS A 50 44.265 -24.828 6.143 1.00 3.17 H new ATOM 697 N ARG A 51 40.247 -28.402 6.258 1.00 1.50 N ATOM 698 CA ARG A 51 39.233 -28.127 5.249 1.00 1.50 C ATOM 699 C ARG A 51 38.365 -26.958 5.695 1.00 1.38 C ATOM 700 O ARG A 51 37.899 -26.174 4.875 1.00 1.27 O ATOM 701 CB ARG A 51 38.363 -29.367 5.012 1.00 1.77 C ATOM 702 CG ARG A 51 37.724 -29.412 3.632 1.00 2.17 C ATOM 703 CD ARG A 51 36.662 -30.498 3.541 1.00 2.52 C ATOM 704 NE ARG A 51 35.365 -30.041 4.039 1.00 2.87 N ATOM 705 CZ ARG A 51 34.444 -30.844 4.571 1.00 3.47 C ATOM 706 NH1 ARG A 51 34.682 -32.144 4.701 1.00 4.13 N ATOM 707 NH2 ARG A 51 33.288 -30.341 4.980 1.00 3.79 N ATOM 0 H ARG A 51 40.139 -29.301 6.728 1.00 1.50 H new ATOM 0 HA ARG A 51 39.730 -27.868 4.314 1.00 1.50 H new ATOM 0 HB2 ARG A 51 38.973 -30.260 5.149 1.00 1.77 H new ATOM 0 HB3 ARG A 51 37.578 -29.399 5.767 1.00 1.77 H new ATOM 0 HG2 ARG A 51 37.276 -28.444 3.406 1.00 2.17 H new ATOM 0 HG3 ARG A 51 38.493 -29.590 2.880 1.00 2.17 H new ATOM 0 HD2 ARG A 51 36.559 -30.818 2.504 1.00 2.52 H new ATOM 0 HD3 ARG A 51 36.984 -31.368 4.113 1.00 2.52 H new ATOM 0 HE ARG A 51 35.152 -29.046 3.975 1.00 2.87 H new ATOM 0 HH11 ARG A 51 35.573 -32.533 4.393 1.00 4.13 H new ATOM 0 HH12 ARG A 51 33.973 -32.754 5.109 1.00 4.13 H new ATOM 0 HH21 ARG A 51 33.105 -29.342 4.887 1.00 3.79 H new ATOM 0 HH22 ARG A 51 32.581 -30.953 5.388 1.00 3.79 H new ATOM 721 N LEU A 52 38.166 -26.849 7.007 1.00 1.51 N ATOM 722 CA LEU A 52 37.366 -25.773 7.580 1.00 1.55 C ATOM 723 C LEU A 52 37.983 -24.423 7.248 1.00 1.33 C ATOM 724 O LEU A 52 37.313 -23.536 6.725 1.00 1.22 O ATOM 725 CB LEU A 52 37.247 -25.946 9.098 1.00 1.88 C ATOM 726 CG LEU A 52 35.914 -25.492 9.702 1.00 2.21 C ATOM 727 CD1 LEU A 52 34.831 -26.533 9.453 1.00 2.90 C ATOM 728 CD2 LEU A 52 36.068 -25.225 11.193 1.00 2.58 C ATOM 0 H LEU A 52 38.551 -27.497 7.695 1.00 1.51 H new ATOM 0 HA LEU A 52 36.366 -25.815 7.147 1.00 1.55 H new ATOM 0 HB2 LEU A 52 37.399 -26.998 9.341 1.00 1.88 H new ATOM 0 HB3 LEU A 52 38.053 -25.389 9.576 1.00 1.88 H new ATOM 0 HG LEU A 52 35.614 -24.564 9.216 1.00 2.21 H new ATOM 0 HD11 LEU A 52 33.892 -26.193 9.889 1.00 2.90 H new ATOM 0 HD12 LEU A 52 34.702 -26.675 8.380 1.00 2.90 H new ATOM 0 HD13 LEU A 52 35.122 -27.478 9.911 1.00 2.90 H new ATOM 0 HD21 LEU A 52 35.112 -24.903 11.606 1.00 2.58 H new ATOM 0 HD22 LEU A 52 36.391 -26.137 11.694 1.00 2.58 H new ATOM 0 HD23 LEU A 52 36.811 -24.443 11.348 1.00 2.58 H new ATOM 740 N GLU A 53 39.274 -24.279 7.538 1.00 1.38 N ATOM 741 CA GLU A 53 39.978 -23.037 7.249 1.00 1.39 C ATOM 742 C GLU A 53 39.781 -22.656 5.786 1.00 1.16 C ATOM 743 O GLU A 53 39.385 -21.533 5.473 1.00 1.13 O ATOM 744 CB GLU A 53 41.471 -23.175 7.559 1.00 1.66 C ATOM 745 CG GLU A 53 41.770 -23.642 8.980 1.00 2.20 C ATOM 746 CD GLU A 53 40.981 -22.881 10.032 1.00 2.62 C ATOM 747 OE1 GLU A 53 39.844 -22.457 9.738 1.00 3.08 O ATOM 748 OE2 GLU A 53 41.500 -22.715 11.156 1.00 3.17 O ATOM 0 H GLU A 53 39.849 -25.003 7.970 1.00 1.38 H new ATOM 0 HA GLU A 53 39.567 -22.251 7.883 1.00 1.39 H new ATOM 0 HB2 GLU A 53 41.914 -23.880 6.855 1.00 1.66 H new ATOM 0 HB3 GLU A 53 41.956 -22.213 7.394 1.00 1.66 H new ATOM 0 HG2 GLU A 53 41.544 -24.705 9.063 1.00 2.20 H new ATOM 0 HG3 GLU A 53 42.836 -23.526 9.178 1.00 2.20 H new ATOM 755 N ALA A 54 40.045 -23.610 4.894 1.00 1.13 N ATOM 756 CA ALA A 54 39.877 -23.381 3.465 1.00 1.16 C ATOM 757 C ALA A 54 38.436 -22.988 3.165 1.00 0.99 C ATOM 758 O ALA A 54 38.177 -22.046 2.417 1.00 1.03 O ATOM 759 CB ALA A 54 40.271 -24.625 2.678 1.00 1.35 C ATOM 0 H ALA A 54 40.375 -24.544 5.137 1.00 1.13 H new ATOM 0 HA ALA A 54 40.530 -22.564 3.160 1.00 1.16 H new ATOM 0 HB1 ALA A 54 40.140 -24.438 1.612 1.00 1.35 H new ATOM 0 HB2 ALA A 54 41.315 -24.867 2.878 1.00 1.35 H new ATOM 0 HB3 ALA A 54 39.640 -25.461 2.980 1.00 1.35 H new ATOM 765 N GLU A 55 37.503 -23.712 3.777 1.00 0.99 N ATOM 766 CA GLU A 55 36.082 -23.446 3.608 1.00 1.06 C ATOM 767 C GLU A 55 35.780 -21.982 3.904 1.00 0.88 C ATOM 768 O GLU A 55 35.173 -21.289 3.088 1.00 0.90 O ATOM 769 CB GLU A 55 35.258 -24.343 4.544 1.00 1.35 C ATOM 770 CG GLU A 55 34.368 -25.346 3.821 1.00 1.84 C ATOM 771 CD GLU A 55 34.588 -25.347 2.316 1.00 1.93 C ATOM 772 OE1 GLU A 55 35.760 -25.270 1.883 1.00 2.20 O ATOM 773 OE2 GLU A 55 33.589 -25.423 1.567 1.00 2.60 O ATOM 0 H GLU A 55 37.711 -24.493 4.399 1.00 0.99 H new ATOM 0 HA GLU A 55 35.811 -23.664 2.575 1.00 1.06 H new ATOM 0 HB2 GLU A 55 35.938 -24.885 5.202 1.00 1.35 H new ATOM 0 HB3 GLU A 55 34.635 -23.712 5.179 1.00 1.35 H new ATOM 0 HG2 GLU A 55 34.560 -26.345 4.213 1.00 1.84 H new ATOM 0 HG3 GLU A 55 33.323 -25.117 4.031 1.00 1.84 H new ATOM 780 N LEU A 56 36.200 -21.526 5.083 1.00 0.90 N ATOM 781 CA LEU A 56 35.970 -20.148 5.504 1.00 0.98 C ATOM 782 C LEU A 56 36.609 -19.157 4.539 1.00 0.91 C ATOM 783 O LEU A 56 36.069 -18.077 4.298 1.00 0.99 O ATOM 784 CB LEU A 56 36.513 -19.926 6.920 1.00 1.26 C ATOM 785 CG LEU A 56 35.448 -19.736 8.006 1.00 2.02 C ATOM 786 CD1 LEU A 56 34.626 -18.482 7.738 1.00 2.67 C ATOM 787 CD2 LEU A 56 34.548 -20.960 8.097 1.00 2.55 C ATOM 0 H LEU A 56 36.703 -22.094 5.765 1.00 0.90 H new ATOM 0 HA LEU A 56 34.894 -19.976 5.502 1.00 0.98 H new ATOM 0 HB2 LEU A 56 37.136 -20.778 7.190 1.00 1.26 H new ATOM 0 HB3 LEU A 56 37.160 -19.048 6.910 1.00 1.26 H new ATOM 0 HG LEU A 56 35.954 -19.614 8.963 1.00 2.02 H new ATOM 0 HD11 LEU A 56 33.876 -18.365 8.520 1.00 2.67 H new ATOM 0 HD12 LEU A 56 35.282 -17.612 7.731 1.00 2.67 H new ATOM 0 HD13 LEU A 56 34.131 -18.571 6.771 1.00 2.67 H new ATOM 0 HD21 LEU A 56 33.799 -20.804 8.874 1.00 2.55 H new ATOM 0 HD22 LEU A 56 34.051 -21.118 7.140 1.00 2.55 H new ATOM 0 HD23 LEU A 56 35.149 -21.836 8.343 1.00 2.55 H new ATOM 799 N ALA A 57 37.763 -19.527 3.998 1.00 0.92 N ATOM 800 CA ALA A 57 38.471 -18.670 3.061 1.00 1.14 C ATOM 801 C ALA A 57 37.637 -18.450 1.806 1.00 1.08 C ATOM 802 O ALA A 57 37.559 -17.341 1.287 1.00 1.22 O ATOM 803 CB ALA A 57 39.820 -19.278 2.709 1.00 1.37 C ATOM 0 H ALA A 57 38.227 -20.414 4.193 1.00 0.92 H new ATOM 0 HA ALA A 57 38.640 -17.702 3.532 1.00 1.14 H new ATOM 0 HB1 ALA A 57 40.340 -18.627 2.007 1.00 1.37 H new ATOM 0 HB2 ALA A 57 40.417 -19.387 3.614 1.00 1.37 H new ATOM 0 HB3 ALA A 57 39.670 -20.257 2.254 1.00 1.37 H new ATOM 809 N ALA A 58 37.013 -19.523 1.330 1.00 1.03 N ATOM 810 CA ALA A 58 36.179 -19.465 0.134 1.00 1.19 C ATOM 811 C ALA A 58 34.788 -18.915 0.446 1.00 1.03 C ATOM 812 O ALA A 58 34.100 -18.408 -0.442 1.00 1.17 O ATOM 813 CB ALA A 58 36.069 -20.850 -0.487 1.00 1.43 C ATOM 0 H ALA A 58 37.070 -20.448 1.757 1.00 1.03 H new ATOM 0 HA ALA A 58 36.652 -18.786 -0.575 1.00 1.19 H new ATOM 0 HB1 ALA A 58 35.445 -20.800 -1.379 1.00 1.43 H new ATOM 0 HB2 ALA A 58 37.062 -21.207 -0.758 1.00 1.43 H new ATOM 0 HB3 ALA A 58 35.620 -21.536 0.231 1.00 1.43 H new ATOM 819 N HIS A 59 34.376 -19.034 1.705 1.00 0.87 N ATOM 820 CA HIS A 59 33.068 -18.561 2.137 1.00 0.90 C ATOM 821 C HIS A 59 33.005 -17.043 2.149 1.00 0.80 C ATOM 822 O HIS A 59 32.000 -16.457 1.755 1.00 0.89 O ATOM 823 CB HIS A 59 32.748 -19.072 3.543 1.00 1.13 C ATOM 824 CG HIS A 59 32.197 -20.463 3.596 1.00 1.46 C ATOM 825 ND1 HIS A 59 32.876 -21.535 4.130 1.00 2.16 N ATOM 826 CD2 HIS A 59 30.987 -20.941 3.209 1.00 1.68 C ATOM 827 CE1 HIS A 59 32.080 -22.605 4.059 1.00 2.61 C ATOM 828 NE2 HIS A 59 30.923 -22.300 3.511 1.00 2.36 N ATOM 0 H HIS A 59 34.934 -19.457 2.447 1.00 0.87 H new ATOM 0 HA HIS A 59 32.337 -18.945 1.425 1.00 0.90 H new ATOM 0 HB2 HIS A 59 33.657 -19.033 4.144 1.00 1.13 H new ATOM 0 HB3 HIS A 59 32.031 -18.394 4.006 1.00 1.13 H new ATOM 0 HD2 HIS A 59 30.202 -20.363 2.743 1.00 1.68 H new ATOM 0 HE1 HIS A 59 32.350 -23.591 4.406 1.00 2.61 H new ATOM 0 HE2 HIS A 59 30.139 -22.930 3.342 1.00 2.36 H new ATOM 836 N GLU A 60 34.062 -16.413 2.648 1.00 0.87 N ATOM 837 CA GLU A 60 34.095 -14.961 2.748 1.00 1.09 C ATOM 838 C GLU A 60 33.868 -14.298 1.387 1.00 1.11 C ATOM 839 O GLU A 60 32.907 -13.552 1.231 1.00 1.12 O ATOM 840 CB GLU A 60 35.399 -14.483 3.410 1.00 1.39 C ATOM 841 CG GLU A 60 35.736 -13.018 3.145 1.00 1.92 C ATOM 842 CD GLU A 60 35.033 -12.067 4.096 1.00 2.39 C ATOM 843 OE1 GLU A 60 33.786 -11.999 4.056 1.00 2.70 O ATOM 844 OE2 GLU A 60 35.729 -11.388 4.879 1.00 3.01 O ATOM 0 H GLU A 60 34.902 -16.882 2.987 1.00 0.87 H new ATOM 0 HA GLU A 60 33.271 -14.652 3.391 1.00 1.09 H new ATOM 0 HB2 GLU A 60 35.325 -14.638 4.486 1.00 1.39 H new ATOM 0 HB3 GLU A 60 36.222 -15.103 3.055 1.00 1.39 H new ATOM 0 HG2 GLU A 60 36.814 -12.878 3.230 1.00 1.92 H new ATOM 0 HG3 GLU A 60 35.462 -12.767 2.120 1.00 1.92 H new ATOM 851 N PRO A 61 34.730 -14.547 0.379 1.00 1.23 N ATOM 852 CA PRO A 61 34.563 -13.940 -0.946 1.00 1.42 C ATOM 853 C PRO A 61 33.230 -14.302 -1.593 1.00 1.32 C ATOM 854 O PRO A 61 32.519 -13.432 -2.089 1.00 1.44 O ATOM 855 CB PRO A 61 35.723 -14.516 -1.767 1.00 1.60 C ATOM 856 CG PRO A 61 36.715 -14.989 -0.762 1.00 1.59 C ATOM 857 CD PRO A 61 35.919 -15.414 0.436 1.00 1.29 C ATOM 0 HA PRO A 61 34.567 -12.852 -0.886 1.00 1.42 H new ATOM 0 HB2 PRO A 61 35.387 -15.334 -2.404 1.00 1.60 H new ATOM 0 HB3 PRO A 61 36.156 -13.760 -2.422 1.00 1.60 H new ATOM 0 HG2 PRO A 61 37.303 -15.819 -1.154 1.00 1.59 H new ATOM 0 HG3 PRO A 61 37.417 -14.196 -0.503 1.00 1.59 H new ATOM 0 HD2 PRO A 61 35.650 -16.469 0.386 1.00 1.29 H new ATOM 0 HD3 PRO A 61 36.477 -15.271 1.361 1.00 1.29 H new ATOM 865 N ALA A 62 32.903 -15.593 -1.593 1.00 1.18 N ATOM 866 CA ALA A 62 31.658 -16.070 -2.193 1.00 1.22 C ATOM 867 C ALA A 62 30.443 -15.345 -1.625 1.00 1.00 C ATOM 868 O ALA A 62 29.640 -14.776 -2.363 1.00 1.06 O ATOM 869 CB ALA A 62 31.511 -17.573 -1.991 1.00 1.31 C ATOM 0 H ALA A 62 33.482 -16.327 -1.185 1.00 1.18 H new ATOM 0 HA ALA A 62 31.707 -15.855 -3.260 1.00 1.22 H new ATOM 0 HB1 ALA A 62 30.579 -17.912 -2.444 1.00 1.31 H new ATOM 0 HB2 ALA A 62 32.350 -18.087 -2.460 1.00 1.31 H new ATOM 0 HB3 ALA A 62 31.499 -17.797 -0.924 1.00 1.31 H new ATOM 875 N ILE A 63 30.311 -15.383 -0.307 1.00 0.82 N ATOM 876 CA ILE A 63 29.191 -14.750 0.379 1.00 0.73 C ATOM 877 C ILE A 63 29.226 -13.231 0.227 1.00 0.73 C ATOM 878 O ILE A 63 28.279 -12.629 -0.286 1.00 0.73 O ATOM 879 CB ILE A 63 29.188 -15.126 1.883 1.00 0.79 C ATOM 880 CG1 ILE A 63 28.643 -16.550 2.099 1.00 1.08 C ATOM 881 CG2 ILE A 63 28.381 -14.119 2.688 1.00 0.96 C ATOM 882 CD1 ILE A 63 29.120 -17.567 1.079 1.00 0.67 C ATOM 0 H ILE A 63 30.972 -15.850 0.315 1.00 0.82 H new ATOM 0 HA ILE A 63 28.276 -15.119 -0.085 1.00 0.73 H new ATOM 0 HB ILE A 63 30.220 -15.103 2.234 1.00 0.79 H new ATOM 0 HG12 ILE A 63 28.932 -16.889 3.094 1.00 1.08 H new ATOM 0 HG13 ILE A 63 27.554 -16.516 2.077 1.00 1.08 H new ATOM 0 HG21 ILE A 63 28.392 -14.402 3.741 1.00 0.96 H new ATOM 0 HG22 ILE A 63 28.819 -13.127 2.574 1.00 0.96 H new ATOM 0 HG23 ILE A 63 27.353 -14.105 2.327 1.00 0.96 H new ATOM 0 HD11 ILE A 63 28.688 -18.541 1.307 1.00 0.67 H new ATOM 0 HD12 ILE A 63 28.808 -17.256 0.082 1.00 0.67 H new ATOM 0 HD13 ILE A 63 30.207 -17.635 1.114 1.00 0.67 H new ATOM 894 N GLN A 64 30.315 -12.613 0.682 1.00 0.83 N ATOM 895 CA GLN A 64 30.460 -11.163 0.595 1.00 0.95 C ATOM 896 C GLN A 64 30.140 -10.679 -0.812 1.00 0.95 C ATOM 897 O GLN A 64 29.398 -9.718 -0.990 1.00 0.92 O ATOM 898 CB GLN A 64 31.877 -10.731 0.989 1.00 1.17 C ATOM 899 CG GLN A 64 32.042 -10.444 2.475 1.00 1.62 C ATOM 900 CD GLN A 64 31.381 -11.485 3.362 1.00 2.58 C ATOM 901 OE1 GLN A 64 30.244 -11.313 3.801 1.00 3.24 O ATOM 902 NE2 GLN A 64 32.091 -12.573 3.629 1.00 3.27 N ATOM 0 H GLN A 64 31.106 -13.092 1.113 1.00 0.83 H new ATOM 0 HA GLN A 64 29.754 -10.712 1.293 1.00 0.95 H new ATOM 0 HB2 GLN A 64 32.579 -11.513 0.700 1.00 1.17 H new ATOM 0 HB3 GLN A 64 32.145 -9.838 0.424 1.00 1.17 H new ATOM 0 HG2 GLN A 64 33.105 -10.395 2.713 1.00 1.62 H new ATOM 0 HG3 GLN A 64 31.619 -9.464 2.698 1.00 1.62 H new ATOM 0 HE21 GLN A 64 33.030 -12.676 3.245 1.00 3.27 H new ATOM 0 HE22 GLN A 64 31.698 -13.307 4.218 1.00 3.27 H new ATOM 911 N GLY A 65 30.701 -11.359 -1.809 1.00 1.05 N ATOM 912 CA GLY A 65 30.457 -10.990 -3.187 1.00 1.14 C ATOM 913 C GLY A 65 28.990 -10.723 -3.453 1.00 0.94 C ATOM 914 O GLY A 65 28.630 -9.649 -3.940 1.00 0.94 O ATOM 0 H GLY A 65 31.321 -12.160 -1.683 1.00 1.05 H new ATOM 0 HA2 GLY A 65 31.037 -10.101 -3.432 1.00 1.14 H new ATOM 0 HA3 GLY A 65 30.805 -11.788 -3.843 1.00 1.14 H new ATOM 918 N VAL A 66 28.134 -11.686 -3.116 1.00 0.83 N ATOM 919 CA VAL A 66 26.701 -11.513 -3.329 1.00 0.72 C ATOM 920 C VAL A 66 26.194 -10.281 -2.588 1.00 0.59 C ATOM 921 O VAL A 66 25.546 -9.416 -3.177 1.00 0.56 O ATOM 922 CB VAL A 66 25.889 -12.749 -2.885 1.00 0.77 C ATOM 923 CG1 VAL A 66 24.403 -12.518 -3.125 1.00 1.46 C ATOM 924 CG2 VAL A 66 26.371 -14.000 -3.609 1.00 1.22 C ATOM 0 H VAL A 66 28.402 -12.579 -2.702 1.00 0.83 H new ATOM 0 HA VAL A 66 26.557 -11.384 -4.402 1.00 0.72 H new ATOM 0 HB VAL A 66 26.044 -12.901 -1.817 1.00 0.77 H new ATOM 0 HG11 VAL A 66 23.842 -13.397 -2.808 1.00 1.46 H new ATOM 0 HG12 VAL A 66 24.073 -11.651 -2.553 1.00 1.46 H new ATOM 0 HG13 VAL A 66 24.229 -12.340 -4.186 1.00 1.46 H new ATOM 0 HG21 VAL A 66 25.785 -14.859 -3.281 1.00 1.22 H new ATOM 0 HG22 VAL A 66 26.250 -13.868 -4.684 1.00 1.22 H new ATOM 0 HG23 VAL A 66 27.423 -14.170 -3.381 1.00 1.22 H new ATOM 934 N LEU A 67 26.506 -10.198 -1.299 1.00 0.58 N ATOM 935 CA LEU A 67 26.086 -9.061 -0.482 1.00 0.62 C ATOM 936 C LEU A 67 26.455 -7.739 -1.150 1.00 0.69 C ATOM 937 O LEU A 67 25.607 -6.860 -1.316 1.00 0.71 O ATOM 938 CB LEU A 67 26.717 -9.143 0.913 1.00 0.74 C ATOM 939 CG LEU A 67 25.950 -8.407 2.018 1.00 1.29 C ATOM 940 CD1 LEU A 67 24.681 -9.163 2.389 1.00 1.90 C ATOM 941 CD2 LEU A 67 26.833 -8.213 3.243 1.00 2.13 C ATOM 0 H LEU A 67 27.047 -10.902 -0.797 1.00 0.58 H new ATOM 0 HA LEU A 67 25.001 -9.101 -0.382 1.00 0.62 H new ATOM 0 HB2 LEU A 67 26.808 -10.193 1.193 1.00 0.74 H new ATOM 0 HB3 LEU A 67 27.728 -8.738 0.862 1.00 0.74 H new ATOM 0 HG LEU A 67 25.664 -7.426 1.639 1.00 1.29 H new ATOM 0 HD11 LEU A 67 24.152 -8.623 3.175 1.00 1.90 H new ATOM 0 HD12 LEU A 67 24.039 -9.248 1.512 1.00 1.90 H new ATOM 0 HD13 LEU A 67 24.942 -10.159 2.746 1.00 1.90 H new ATOM 0 HD21 LEU A 67 26.272 -7.689 4.017 1.00 2.13 H new ATOM 0 HD22 LEU A 67 27.150 -9.185 3.620 1.00 2.13 H new ATOM 0 HD23 LEU A 67 27.710 -7.626 2.970 1.00 2.13 H new ATOM 953 N ASP A 68 27.722 -7.605 -1.534 1.00 0.79 N ATOM 954 CA ASP A 68 28.198 -6.390 -2.189 1.00 0.94 C ATOM 955 C ASP A 68 27.338 -6.075 -3.403 1.00 0.86 C ATOM 956 O ASP A 68 26.871 -4.950 -3.567 1.00 0.91 O ATOM 957 CB ASP A 68 29.672 -6.535 -2.603 1.00 1.12 C ATOM 958 CG ASP A 68 30.567 -6.988 -1.458 1.00 1.55 C ATOM 959 OD1 ASP A 68 31.015 -6.121 -0.676 1.00 2.24 O ATOM 960 OD2 ASP A 68 30.808 -8.208 -1.335 1.00 2.04 O ATOM 0 H ASP A 68 28.436 -8.321 -1.403 1.00 0.79 H new ATOM 0 HA ASP A 68 28.121 -5.566 -1.480 1.00 0.94 H new ATOM 0 HB2 ASP A 68 29.746 -7.252 -3.421 1.00 1.12 H new ATOM 0 HB3 ASP A 68 30.033 -5.579 -2.984 1.00 1.12 H new ATOM 965 N THR A 69 27.137 -7.076 -4.255 1.00 0.80 N ATOM 966 CA THR A 69 26.332 -6.899 -5.452 1.00 0.80 C ATOM 967 C THR A 69 24.930 -6.421 -5.087 1.00 0.67 C ATOM 968 O THR A 69 24.449 -5.422 -5.620 1.00 0.73 O ATOM 969 CB THR A 69 26.262 -8.202 -6.247 1.00 0.86 C ATOM 970 OG1 THR A 69 27.496 -8.896 -6.185 1.00 1.02 O ATOM 971 CG2 THR A 69 25.930 -7.992 -7.708 1.00 0.94 C ATOM 0 H THR A 69 27.520 -8.014 -4.137 1.00 0.80 H new ATOM 0 HA THR A 69 26.804 -6.139 -6.075 1.00 0.80 H new ATOM 0 HB THR A 69 25.461 -8.779 -5.785 1.00 0.86 H new ATOM 0 HG1 THR A 69 27.554 -9.385 -5.338 1.00 1.02 H new ATOM 0 HG21 THR A 69 25.896 -8.956 -8.216 1.00 0.94 H new ATOM 0 HG22 THR A 69 24.960 -7.502 -7.794 1.00 0.94 H new ATOM 0 HG23 THR A 69 26.695 -7.367 -8.169 1.00 0.94 H new ATOM 979 N GLY A 70 24.276 -7.134 -4.165 1.00 0.57 N ATOM 980 CA GLY A 70 22.941 -6.745 -3.742 1.00 0.59 C ATOM 981 C GLY A 70 22.888 -5.282 -3.352 1.00 0.69 C ATOM 982 O GLY A 70 21.953 -4.564 -3.710 1.00 0.79 O ATOM 0 H GLY A 70 24.646 -7.967 -3.708 1.00 0.57 H new ATOM 0 HA2 GLY A 70 22.233 -6.934 -4.549 1.00 0.59 H new ATOM 0 HA3 GLY A 70 22.632 -7.360 -2.897 1.00 0.59 H new ATOM 986 N LYS A 71 23.907 -4.830 -2.626 1.00 0.76 N ATOM 987 CA LYS A 71 23.978 -3.437 -2.210 1.00 0.94 C ATOM 988 C LYS A 71 24.081 -2.543 -3.443 1.00 0.99 C ATOM 989 O LYS A 71 23.421 -1.507 -3.535 1.00 1.12 O ATOM 990 CB LYS A 71 25.185 -3.210 -1.291 1.00 1.05 C ATOM 991 CG LYS A 71 24.890 -2.309 -0.100 1.00 1.35 C ATOM 992 CD LYS A 71 24.528 -0.896 -0.538 1.00 1.91 C ATOM 993 CE LYS A 71 25.446 0.142 0.087 1.00 2.53 C ATOM 994 NZ LYS A 71 25.186 1.505 -0.453 1.00 3.25 N ATOM 0 H LYS A 71 24.690 -5.406 -2.316 1.00 0.76 H new ATOM 0 HA LYS A 71 23.074 -3.186 -1.655 1.00 0.94 H new ATOM 0 HB2 LYS A 71 25.538 -4.174 -0.926 1.00 1.05 H new ATOM 0 HB3 LYS A 71 25.996 -2.773 -1.873 1.00 1.05 H new ATOM 0 HG2 LYS A 71 24.070 -2.731 0.481 1.00 1.35 H new ATOM 0 HG3 LYS A 71 25.761 -2.275 0.555 1.00 1.35 H new ATOM 0 HD2 LYS A 71 24.587 -0.826 -1.624 1.00 1.91 H new ATOM 0 HD3 LYS A 71 23.496 -0.683 -0.260 1.00 1.91 H new ATOM 0 HE2 LYS A 71 25.307 0.147 1.168 1.00 2.53 H new ATOM 0 HE3 LYS A 71 26.485 -0.131 -0.100 1.00 2.53 H new ATOM 0 HZ1 LYS A 71 25.041 2.169 0.335 1.00 3.25 H new ATOM 0 HZ2 LYS A 71 26.000 1.815 -1.021 1.00 3.25 H new ATOM 0 HZ3 LYS A 71 24.335 1.485 -1.050 1.00 3.25 H new ATOM 1008 N LYS A 72 24.904 -2.972 -4.398 1.00 0.95 N ATOM 1009 CA LYS A 72 25.101 -2.233 -5.642 1.00 1.08 C ATOM 1010 C LYS A 72 23.806 -2.174 -6.444 1.00 1.06 C ATOM 1011 O LYS A 72 23.535 -1.192 -7.132 1.00 1.26 O ATOM 1012 CB LYS A 72 26.210 -2.884 -6.475 1.00 1.14 C ATOM 1013 CG LYS A 72 27.587 -2.790 -5.835 1.00 1.49 C ATOM 1014 CD LYS A 72 28.256 -1.458 -6.138 1.00 2.07 C ATOM 1015 CE LYS A 72 29.683 -1.417 -5.616 1.00 2.89 C ATOM 1016 NZ LYS A 72 30.490 -2.570 -6.105 1.00 3.71 N ATOM 0 H LYS A 72 25.448 -3.833 -4.332 1.00 0.95 H new ATOM 0 HA LYS A 72 25.399 -1.214 -5.393 1.00 1.08 H new ATOM 0 HB2 LYS A 72 25.964 -3.934 -6.635 1.00 1.14 H new ATOM 0 HB3 LYS A 72 26.241 -2.410 -7.456 1.00 1.14 H new ATOM 0 HG2 LYS A 72 27.497 -2.915 -4.756 1.00 1.49 H new ATOM 0 HG3 LYS A 72 28.214 -3.604 -6.199 1.00 1.49 H new ATOM 0 HD2 LYS A 72 28.257 -1.287 -7.215 1.00 2.07 H new ATOM 0 HD3 LYS A 72 27.680 -0.650 -5.687 1.00 2.07 H new ATOM 0 HE2 LYS A 72 30.156 -0.486 -5.927 1.00 2.89 H new ATOM 0 HE3 LYS A 72 29.670 -1.420 -4.526 1.00 2.89 H new ATOM 0 HZ1 LYS A 72 31.502 -2.351 -6.008 1.00 3.71 H new ATOM 0 HZ2 LYS A 72 30.263 -3.416 -5.544 1.00 3.71 H new ATOM 0 HZ3 LYS A 72 30.269 -2.749 -7.105 1.00 3.71 H new ATOM 1030 N LEU A 73 23.009 -3.233 -6.345 1.00 0.89 N ATOM 1031 CA LEU A 73 21.735 -3.303 -7.050 1.00 0.98 C ATOM 1032 C LEU A 73 20.819 -2.179 -6.580 1.00 1.14 C ATOM 1033 O LEU A 73 20.157 -1.526 -7.382 1.00 1.32 O ATOM 1034 CB LEU A 73 21.068 -4.660 -6.808 1.00 0.97 C ATOM 1035 CG LEU A 73 21.089 -5.616 -8.003 1.00 0.92 C ATOM 1036 CD1 LEU A 73 22.507 -6.092 -8.285 1.00 1.52 C ATOM 1037 CD2 LEU A 73 20.163 -6.800 -7.755 1.00 0.96 C ATOM 0 H LEU A 73 23.224 -4.056 -5.782 1.00 0.89 H new ATOM 0 HA LEU A 73 21.918 -3.190 -8.119 1.00 0.98 H new ATOM 0 HB2 LEU A 73 21.562 -5.145 -5.966 1.00 0.97 H new ATOM 0 HB3 LEU A 73 20.032 -4.491 -6.516 1.00 0.97 H new ATOM 0 HG LEU A 73 20.730 -5.078 -8.880 1.00 0.92 H new ATOM 0 HD11 LEU A 73 22.500 -6.771 -9.138 1.00 1.52 H new ATOM 0 HD12 LEU A 73 23.141 -5.234 -8.509 1.00 1.52 H new ATOM 0 HD13 LEU A 73 22.897 -6.613 -7.410 1.00 1.52 H new ATOM 0 HD21 LEU A 73 20.190 -7.470 -8.615 1.00 0.96 H new ATOM 0 HD22 LEU A 73 20.491 -7.338 -6.865 1.00 0.96 H new ATOM 0 HD23 LEU A 73 19.145 -6.441 -7.607 1.00 0.96 H new ATOM 1049 N SER A 74 20.796 -1.963 -5.269 1.00 1.13 N ATOM 1050 CA SER A 74 19.977 -0.916 -4.672 1.00 1.36 C ATOM 1051 C SER A 74 20.593 0.459 -4.925 1.00 1.52 C ATOM 1052 O SER A 74 19.884 1.458 -5.053 1.00 1.76 O ATOM 1053 CB SER A 74 19.836 -1.154 -3.166 1.00 1.37 C ATOM 1054 OG SER A 74 19.578 -2.521 -2.886 1.00 1.67 O ATOM 0 H SER A 74 21.340 -2.504 -4.596 1.00 1.13 H new ATOM 0 HA SER A 74 18.990 -0.945 -5.133 1.00 1.36 H new ATOM 0 HB2 SER A 74 20.749 -0.842 -2.658 1.00 1.37 H new ATOM 0 HB3 SER A 74 19.026 -0.540 -2.772 1.00 1.37 H new ATOM 0 HG SER A 74 19.494 -2.646 -1.918 1.00 1.67 H new ATOM 1060 N ASP A 75 21.920 0.498 -4.982 1.00 1.47 N ATOM 1061 CA ASP A 75 22.650 1.741 -5.208 1.00 1.71 C ATOM 1062 C ASP A 75 22.424 2.276 -6.618 1.00 1.86 C ATOM 1063 O ASP A 75 22.330 3.485 -6.823 1.00 2.14 O ATOM 1064 CB ASP A 75 24.148 1.521 -4.970 1.00 1.72 C ATOM 1065 CG ASP A 75 24.486 1.285 -3.509 1.00 1.79 C ATOM 1066 OD1 ASP A 75 23.560 1.284 -2.670 1.00 2.15 O ATOM 1067 OD2 ASP A 75 25.683 1.102 -3.202 1.00 2.34 O ATOM 0 H ASP A 75 22.516 -0.323 -4.874 1.00 1.47 H new ATOM 0 HA ASP A 75 22.272 2.481 -4.502 1.00 1.71 H new ATOM 0 HB2 ASP A 75 24.482 0.666 -5.558 1.00 1.72 H new ATOM 0 HB3 ASP A 75 24.699 2.390 -5.329 1.00 1.72 H new ATOM 1072 N ASP A 76 22.357 1.372 -7.590 1.00 1.77 N ATOM 1073 CA ASP A 76 22.157 1.763 -8.982 1.00 2.01 C ATOM 1074 C ASP A 76 20.683 1.720 -9.364 1.00 1.98 C ATOM 1075 O ASP A 76 20.171 2.637 -10.003 1.00 2.28 O ATOM 1076 CB ASP A 76 22.952 0.847 -9.913 1.00 2.20 C ATOM 1077 CG ASP A 76 23.452 -0.400 -9.210 1.00 2.36 C ATOM 1078 OD1 ASP A 76 22.613 -1.227 -8.797 1.00 2.89 O ATOM 1079 OD2 ASP A 76 24.683 -0.547 -9.063 1.00 2.64 O ATOM 0 H ASP A 76 22.438 0.366 -7.441 1.00 1.77 H new ATOM 0 HA ASP A 76 22.513 2.788 -9.090 1.00 2.01 H new ATOM 0 HB2 ASP A 76 22.325 0.558 -10.756 1.00 2.20 H new ATOM 0 HB3 ASP A 76 23.801 1.396 -10.320 1.00 2.20 H new ATOM 1084 N ASN A 77 20.013 0.642 -8.974 1.00 1.87 N ATOM 1085 CA ASN A 77 18.593 0.455 -9.280 1.00 2.13 C ATOM 1086 C ASN A 77 17.741 0.567 -8.021 1.00 1.92 C ATOM 1087 O ASN A 77 18.266 0.667 -6.913 1.00 2.30 O ATOM 1088 CB ASN A 77 18.369 -0.910 -9.943 1.00 3.00 C ATOM 1089 CG ASN A 77 19.638 -1.470 -10.564 1.00 3.68 C ATOM 1090 OD1 ASN A 77 20.086 -2.560 -10.211 1.00 3.93 O ATOM 1091 ND2 ASN A 77 20.222 -0.724 -11.494 1.00 4.42 N ATOM 0 H ASN A 77 20.430 -0.122 -8.442 1.00 1.87 H new ATOM 0 HA ASN A 77 18.290 1.243 -9.970 1.00 2.13 H new ATOM 0 HB2 ASN A 77 17.990 -1.613 -9.201 1.00 3.00 H new ATOM 0 HB3 ASN A 77 17.603 -0.815 -10.712 1.00 3.00 H new ATOM 0 HD21 ASN A 77 21.077 -1.049 -11.946 1.00 4.42 H new ATOM 0 HD22 ASN A 77 19.816 0.174 -11.756 1.00 4.42 H new ATOM 1098 N THR A 78 16.423 0.555 -8.203 1.00 2.42 N ATOM 1099 CA THR A 78 15.487 0.661 -7.084 1.00 3.13 C ATOM 1100 C THR A 78 14.532 -0.531 -7.046 1.00 3.07 C ATOM 1101 O THR A 78 13.643 -0.590 -6.197 1.00 3.33 O ATOM 1102 CB THR A 78 14.686 1.960 -7.193 1.00 4.02 C ATOM 1103 OG1 THR A 78 14.374 2.246 -8.546 1.00 4.29 O ATOM 1104 CG2 THR A 78 15.409 3.164 -6.626 1.00 4.87 C ATOM 0 H THR A 78 15.977 0.473 -9.117 1.00 2.42 H new ATOM 0 HA THR A 78 16.066 0.665 -6.160 1.00 3.13 H new ATOM 0 HB THR A 78 13.784 1.789 -6.605 1.00 4.02 H new ATOM 0 HG1 THR A 78 13.860 3.079 -8.594 1.00 4.29 H new ATOM 0 HG21 THR A 78 14.783 4.050 -6.737 1.00 4.87 H new ATOM 0 HG22 THR A 78 15.619 2.998 -5.569 1.00 4.87 H new ATOM 0 HG23 THR A 78 16.346 3.312 -7.163 1.00 4.87 H new ATOM 1112 N ILE A 79 14.715 -1.473 -7.970 1.00 3.06 N ATOM 1113 CA ILE A 79 13.863 -2.657 -8.039 1.00 3.21 C ATOM 1114 C ILE A 79 13.765 -3.352 -6.679 1.00 2.90 C ATOM 1115 O ILE A 79 14.647 -4.120 -6.297 1.00 3.08 O ATOM 1116 CB ILE A 79 14.365 -3.660 -9.106 1.00 3.81 C ATOM 1117 CG1 ILE A 79 13.468 -4.905 -9.143 1.00 4.11 C ATOM 1118 CG2 ILE A 79 15.816 -4.052 -8.848 1.00 4.49 C ATOM 1119 CD1 ILE A 79 12.030 -4.611 -9.514 1.00 4.56 C ATOM 0 H ILE A 79 15.446 -1.438 -8.681 1.00 3.06 H new ATOM 0 HA ILE A 79 12.870 -2.314 -8.329 1.00 3.21 H new ATOM 0 HB ILE A 79 14.315 -3.170 -10.078 1.00 3.81 H new ATOM 0 HG12 ILE A 79 13.880 -5.617 -9.858 1.00 4.11 H new ATOM 0 HG13 ILE A 79 13.490 -5.387 -8.165 1.00 4.11 H new ATOM 0 HG21 ILE A 79 16.144 -4.757 -9.612 1.00 4.49 H new ATOM 0 HG22 ILE A 79 16.445 -3.162 -8.882 1.00 4.49 H new ATOM 0 HG23 ILE A 79 15.898 -4.517 -7.866 1.00 4.49 H new ATOM 0 HD11 ILE A 79 11.459 -5.539 -9.519 1.00 4.56 H new ATOM 0 HD12 ILE A 79 11.599 -3.924 -8.786 1.00 4.56 H new ATOM 0 HD13 ILE A 79 11.995 -4.158 -10.505 1.00 4.56 H new ATOM 1131 N GLY A 80 12.678 -3.061 -5.961 1.00 2.87 N ATOM 1132 CA GLY A 80 12.444 -3.647 -4.647 1.00 2.77 C ATOM 1133 C GLY A 80 13.715 -3.966 -3.882 1.00 2.49 C ATOM 1134 O GLY A 80 13.930 -5.108 -3.478 1.00 2.38 O ATOM 0 H GLY A 80 11.947 -2.421 -6.272 1.00 2.87 H new ATOM 0 HA2 GLY A 80 11.838 -2.960 -4.056 1.00 2.77 H new ATOM 0 HA3 GLY A 80 11.864 -4.562 -4.766 1.00 2.77 H new ATOM 1138 N LYS A 81 14.555 -2.955 -3.670 1.00 2.47 N ATOM 1139 CA LYS A 81 15.811 -3.141 -2.942 1.00 2.30 C ATOM 1140 C LYS A 81 15.595 -3.924 -1.643 1.00 2.13 C ATOM 1141 O LYS A 81 16.319 -4.877 -1.363 1.00 1.92 O ATOM 1142 CB LYS A 81 16.469 -1.790 -2.644 1.00 2.45 C ATOM 1143 CG LYS A 81 15.501 -0.720 -2.156 1.00 2.98 C ATOM 1144 CD LYS A 81 15.144 0.266 -3.261 1.00 3.54 C ATOM 1145 CE LYS A 81 13.756 0.854 -3.062 1.00 4.27 C ATOM 1146 NZ LYS A 81 12.685 -0.068 -3.534 1.00 4.40 N ATOM 0 H LYS A 81 14.391 -2.001 -3.990 1.00 2.47 H new ATOM 0 HA LYS A 81 16.477 -3.723 -3.579 1.00 2.30 H new ATOM 0 HB2 LYS A 81 17.244 -1.934 -1.891 1.00 2.45 H new ATOM 0 HB3 LYS A 81 16.964 -1.432 -3.547 1.00 2.45 H new ATOM 0 HG2 LYS A 81 14.593 -1.194 -1.784 1.00 2.98 H new ATOM 0 HG3 LYS A 81 15.946 -0.182 -1.319 1.00 2.98 H new ATOM 0 HD2 LYS A 81 15.880 1.070 -3.284 1.00 3.54 H new ATOM 0 HD3 LYS A 81 15.191 -0.237 -4.227 1.00 3.54 H new ATOM 0 HE2 LYS A 81 13.604 1.075 -2.005 1.00 4.27 H new ATOM 0 HE3 LYS A 81 13.683 1.800 -3.599 1.00 4.27 H new ATOM 0 HZ1 LYS A 81 11.790 0.455 -3.620 1.00 4.40 H new ATOM 0 HZ2 LYS A 81 12.948 -0.459 -4.461 1.00 4.40 H new ATOM 0 HZ3 LYS A 81 12.569 -0.844 -2.851 1.00 4.40 H new ATOM 1160 N GLU A 82 14.596 -3.523 -0.859 1.00 2.24 N ATOM 1161 CA GLU A 82 14.291 -4.198 0.401 1.00 2.14 C ATOM 1162 C GLU A 82 13.979 -5.672 0.162 1.00 1.94 C ATOM 1163 O GLU A 82 14.449 -6.539 0.894 1.00 1.76 O ATOM 1164 CB GLU A 82 13.109 -3.521 1.104 1.00 2.37 C ATOM 1165 CG GLU A 82 13.149 -1.999 1.053 1.00 2.74 C ATOM 1166 CD GLU A 82 12.219 -1.423 0.001 1.00 2.68 C ATOM 1167 OE1 GLU A 82 12.396 -1.749 -1.191 1.00 3.00 O ATOM 1168 OE2 GLU A 82 11.315 -0.644 0.368 1.00 2.89 O ATOM 0 H GLU A 82 13.985 -2.735 -1.074 1.00 2.24 H new ATOM 0 HA GLU A 82 15.169 -4.126 1.042 1.00 2.14 H new ATOM 0 HB2 GLU A 82 12.181 -3.866 0.647 1.00 2.37 H new ATOM 0 HB3 GLU A 82 13.088 -3.839 2.146 1.00 2.37 H new ATOM 0 HG2 GLU A 82 12.877 -1.600 2.030 1.00 2.74 H new ATOM 0 HG3 GLU A 82 14.169 -1.673 0.848 1.00 2.74 H new ATOM 1175 N GLU A 83 13.187 -5.952 -0.870 1.00 2.03 N ATOM 1176 CA GLU A 83 12.829 -7.326 -1.204 1.00 1.94 C ATOM 1177 C GLU A 83 14.089 -8.151 -1.442 1.00 1.73 C ATOM 1178 O GLU A 83 14.264 -9.220 -0.861 1.00 1.57 O ATOM 1179 CB GLU A 83 11.928 -7.360 -2.443 1.00 2.17 C ATOM 1180 CG GLU A 83 10.963 -8.536 -2.466 1.00 2.39 C ATOM 1181 CD GLU A 83 11.673 -9.877 -2.465 1.00 2.51 C ATOM 1182 OE1 GLU A 83 12.371 -10.178 -3.456 1.00 2.94 O ATOM 1183 OE2 GLU A 83 11.529 -10.627 -1.475 1.00 2.93 O ATOM 0 H GLU A 83 12.783 -5.248 -1.487 1.00 2.03 H new ATOM 0 HA GLU A 83 12.279 -7.757 -0.367 1.00 1.94 H new ATOM 0 HB2 GLU A 83 11.358 -6.432 -2.492 1.00 2.17 H new ATOM 0 HB3 GLU A 83 12.553 -7.397 -3.335 1.00 2.17 H new ATOM 0 HG2 GLU A 83 10.305 -8.477 -1.599 1.00 2.39 H new ATOM 0 HG3 GLU A 83 10.331 -8.465 -3.351 1.00 2.39 H new ATOM 1190 N ILE A 84 14.980 -7.638 -2.283 1.00 1.75 N ATOM 1191 CA ILE A 84 16.229 -8.332 -2.570 1.00 1.60 C ATOM 1192 C ILE A 84 17.008 -8.552 -1.277 1.00 1.38 C ATOM 1193 O ILE A 84 17.510 -9.644 -1.012 1.00 1.22 O ATOM 1194 CB ILE A 84 17.104 -7.546 -3.571 1.00 1.73 C ATOM 1195 CG1 ILE A 84 16.320 -7.271 -4.862 1.00 2.03 C ATOM 1196 CG2 ILE A 84 18.386 -8.313 -3.875 1.00 1.57 C ATOM 1197 CD1 ILE A 84 17.120 -6.539 -5.920 1.00 2.47 C ATOM 0 H ILE A 84 14.862 -6.752 -2.774 1.00 1.75 H new ATOM 0 HA ILE A 84 15.978 -9.291 -3.022 1.00 1.60 H new ATOM 0 HB ILE A 84 17.375 -6.591 -3.121 1.00 1.73 H new ATOM 0 HG12 ILE A 84 15.973 -8.219 -5.274 1.00 2.03 H new ATOM 0 HG13 ILE A 84 15.434 -6.685 -4.620 1.00 2.03 H new ATOM 0 HG21 ILE A 84 18.991 -7.745 -4.582 1.00 1.57 H new ATOM 0 HG22 ILE A 84 18.949 -8.461 -2.953 1.00 1.57 H new ATOM 0 HG23 ILE A 84 18.136 -9.282 -4.308 1.00 1.57 H new ATOM 0 HD11 ILE A 84 16.499 -6.381 -6.802 1.00 2.47 H new ATOM 0 HD12 ILE A 84 17.445 -5.575 -5.528 1.00 2.47 H new ATOM 0 HD13 ILE A 84 17.992 -7.133 -6.192 1.00 2.47 H new ATOM 1209 N GLN A 85 17.089 -7.497 -0.473 1.00 1.45 N ATOM 1210 CA GLN A 85 17.789 -7.544 0.803 1.00 1.35 C ATOM 1211 C GLN A 85 17.272 -8.692 1.669 1.00 1.19 C ATOM 1212 O GLN A 85 18.058 -9.492 2.179 1.00 1.05 O ATOM 1213 CB GLN A 85 17.628 -6.205 1.533 1.00 1.56 C ATOM 1214 CG GLN A 85 18.653 -5.158 1.121 1.00 1.77 C ATOM 1215 CD GLN A 85 20.077 -5.566 1.448 1.00 2.36 C ATOM 1216 OE1 GLN A 85 20.409 -5.832 2.602 1.00 2.80 O ATOM 1217 NE2 GLN A 85 20.927 -5.617 0.428 1.00 3.13 N ATOM 0 H GLN A 85 16.673 -6.590 -0.687 1.00 1.45 H new ATOM 0 HA GLN A 85 18.848 -7.721 0.612 1.00 1.35 H new ATOM 0 HB2 GLN A 85 16.628 -5.816 1.344 1.00 1.56 H new ATOM 0 HB3 GLN A 85 17.706 -6.375 2.607 1.00 1.56 H new ATOM 0 HG2 GLN A 85 18.569 -4.977 0.049 1.00 1.77 H new ATOM 0 HG3 GLN A 85 18.426 -4.217 1.622 1.00 1.77 H new ATOM 0 HE21 GLN A 85 20.608 -5.388 -0.513 1.00 3.13 H new ATOM 0 HE22 GLN A 85 21.898 -5.885 0.586 1.00 3.13 H new ATOM 1226 N GLN A 86 15.951 -8.779 1.825 1.00 1.26 N ATOM 1227 CA GLN A 86 15.354 -9.844 2.628 1.00 1.18 C ATOM 1228 C GLN A 86 15.719 -11.214 2.056 1.00 1.03 C ATOM 1229 O GLN A 86 16.062 -12.134 2.799 1.00 0.90 O ATOM 1230 CB GLN A 86 13.827 -9.672 2.725 1.00 1.37 C ATOM 1231 CG GLN A 86 13.032 -10.339 1.605 1.00 1.47 C ATOM 1232 CD GLN A 86 12.475 -11.697 1.992 1.00 2.31 C ATOM 1233 OE1 GLN A 86 12.759 -12.218 3.070 1.00 2.90 O ATOM 1234 NE2 GLN A 86 11.679 -12.279 1.103 1.00 3.09 N ATOM 0 H GLN A 86 15.281 -8.132 1.410 1.00 1.26 H new ATOM 0 HA GLN A 86 15.758 -9.779 3.638 1.00 1.18 H new ATOM 0 HB2 GLN A 86 13.491 -10.076 3.680 1.00 1.37 H new ATOM 0 HB3 GLN A 86 13.596 -8.607 2.730 1.00 1.37 H new ATOM 0 HG2 GLN A 86 12.209 -9.686 1.314 1.00 1.47 H new ATOM 0 HG3 GLN A 86 13.673 -10.453 0.731 1.00 1.47 H new ATOM 0 HE21 GLN A 86 11.470 -11.810 0.221 1.00 3.09 H new ATOM 0 HE22 GLN A 86 11.276 -13.195 1.302 1.00 3.09 H new ATOM 1243 N ARG A 87 15.656 -11.337 0.732 1.00 1.11 N ATOM 1244 CA ARG A 87 15.989 -12.588 0.062 1.00 1.09 C ATOM 1245 C ARG A 87 17.428 -12.995 0.362 1.00 0.91 C ATOM 1246 O ARG A 87 17.695 -14.133 0.747 1.00 0.87 O ATOM 1247 CB ARG A 87 15.791 -12.453 -1.451 1.00 1.29 C ATOM 1248 CG ARG A 87 14.987 -13.589 -2.069 1.00 1.78 C ATOM 1249 CD ARG A 87 13.553 -13.170 -2.359 1.00 2.22 C ATOM 1250 NE ARG A 87 12.880 -14.102 -3.258 1.00 2.81 N ATOM 1251 CZ ARG A 87 11.722 -13.841 -3.858 1.00 3.73 C ATOM 1252 NH1 ARG A 87 11.111 -12.682 -3.654 1.00 4.43 N ATOM 1253 NH2 ARG A 87 11.176 -14.739 -4.665 1.00 4.21 N ATOM 0 H ARG A 87 15.377 -10.584 0.103 1.00 1.11 H new ATOM 0 HA ARG A 87 15.321 -13.362 0.440 1.00 1.09 H new ATOM 0 HB2 ARG A 87 15.288 -11.509 -1.659 1.00 1.29 H new ATOM 0 HB3 ARG A 87 16.767 -12.407 -1.933 1.00 1.29 H new ATOM 0 HG2 ARG A 87 15.466 -13.913 -2.993 1.00 1.78 H new ATOM 0 HG3 ARG A 87 14.987 -14.444 -1.393 1.00 1.78 H new ATOM 0 HD2 ARG A 87 12.998 -13.105 -1.423 1.00 2.22 H new ATOM 0 HD3 ARG A 87 13.549 -12.174 -2.801 1.00 2.22 H new ATOM 0 HE ARG A 87 13.322 -15.004 -3.436 1.00 2.81 H new ATOM 0 HH11 ARG A 87 11.529 -11.987 -3.035 1.00 4.43 H new ATOM 0 HH12 ARG A 87 10.223 -12.485 -4.116 1.00 4.43 H new ATOM 0 HH21 ARG A 87 11.644 -15.631 -4.826 1.00 4.21 H new ATOM 0 HH22 ARG A 87 10.288 -14.538 -5.125 1.00 4.21 H new ATOM 1267 N LEU A 88 18.359 -12.062 0.177 1.00 0.87 N ATOM 1268 CA LEU A 88 19.767 -12.336 0.429 1.00 0.78 C ATOM 1269 C LEU A 88 19.982 -12.776 1.876 1.00 0.71 C ATOM 1270 O LEU A 88 20.761 -13.691 2.151 1.00 0.67 O ATOM 1271 CB LEU A 88 20.611 -11.096 0.124 1.00 0.86 C ATOM 1272 CG LEU A 88 21.948 -11.376 -0.570 1.00 1.04 C ATOM 1273 CD1 LEU A 88 22.421 -10.144 -1.328 1.00 1.90 C ATOM 1274 CD2 LEU A 88 22.994 -11.825 0.441 1.00 1.15 C ATOM 0 H LEU A 88 18.163 -11.114 -0.145 1.00 0.87 H new ATOM 0 HA LEU A 88 20.081 -13.147 -0.228 1.00 0.78 H new ATOM 0 HB2 LEU A 88 20.027 -10.423 -0.504 1.00 0.86 H new ATOM 0 HB3 LEU A 88 20.807 -10.570 1.058 1.00 0.86 H new ATOM 0 HG LEU A 88 21.803 -12.184 -1.287 1.00 1.04 H new ATOM 0 HD11 LEU A 88 23.372 -10.359 -1.815 1.00 1.90 H new ATOM 0 HD12 LEU A 88 21.681 -9.873 -2.081 1.00 1.90 H new ATOM 0 HD13 LEU A 88 22.550 -9.315 -0.632 1.00 1.90 H new ATOM 0 HD21 LEU A 88 23.936 -12.019 -0.072 1.00 1.15 H new ATOM 0 HD22 LEU A 88 23.140 -11.042 1.185 1.00 1.15 H new ATOM 0 HD23 LEU A 88 22.656 -12.736 0.935 1.00 1.15 H new ATOM 1286 N ALA A 89 19.280 -12.120 2.797 1.00 0.77 N ATOM 1287 CA ALA A 89 19.385 -12.439 4.219 1.00 0.81 C ATOM 1288 C ALA A 89 19.020 -13.895 4.491 1.00 0.74 C ATOM 1289 O ALA A 89 19.536 -14.506 5.429 1.00 0.77 O ATOM 1290 CB ALA A 89 18.500 -11.510 5.038 1.00 0.97 C ATOM 0 H ALA A 89 18.631 -11.363 2.583 1.00 0.77 H new ATOM 0 HA ALA A 89 20.423 -12.293 4.518 1.00 0.81 H new ATOM 0 HB1 ALA A 89 18.589 -11.761 6.095 1.00 0.97 H new ATOM 0 HB2 ALA A 89 18.813 -10.478 4.882 1.00 0.97 H new ATOM 0 HB3 ALA A 89 17.463 -11.626 4.724 1.00 0.97 H new ATOM 1296 N GLN A 90 18.127 -14.448 3.673 1.00 0.73 N ATOM 1297 CA GLN A 90 17.703 -15.834 3.836 1.00 0.79 C ATOM 1298 C GLN A 90 18.862 -16.782 3.545 1.00 0.73 C ATOM 1299 O GLN A 90 19.117 -17.722 4.300 1.00 0.79 O ATOM 1300 CB GLN A 90 16.513 -16.149 2.920 1.00 0.90 C ATOM 1301 CG GLN A 90 15.839 -17.484 3.214 1.00 1.35 C ATOM 1302 CD GLN A 90 15.667 -17.752 4.698 1.00 1.96 C ATOM 1303 OE1 GLN A 90 15.959 -18.978 5.114 1.00 2.38 O flip ATOM 1304 NE2 GLN A 90 15.274 -16.870 5.462 1.00 2.72 N flip ATOM 0 H GLN A 90 17.685 -13.959 2.894 1.00 0.73 H new ATOM 0 HA GLN A 90 17.387 -15.976 4.870 1.00 0.79 H new ATOM 0 HB2 GLN A 90 15.775 -15.353 3.014 1.00 0.90 H new ATOM 0 HB3 GLN A 90 16.854 -16.146 1.885 1.00 0.90 H new ATOM 0 HG2 GLN A 90 14.862 -17.504 2.732 1.00 1.35 H new ATOM 0 HG3 GLN A 90 16.429 -18.287 2.772 1.00 1.35 H new ATOM 0 HE21 GLN A 90 15.060 -15.940 5.101 1.00 2.72 H new ATOM 0 HE22 GLN A 90 15.162 -17.069 6.456 1.00 2.72 H new ATOM 1313 N PHE A 91 19.567 -16.527 2.446 1.00 0.66 N ATOM 1314 CA PHE A 91 20.707 -17.354 2.062 1.00 0.67 C ATOM 1315 C PHE A 91 21.692 -17.446 3.217 1.00 0.67 C ATOM 1316 O PHE A 91 22.126 -18.533 3.599 1.00 0.74 O ATOM 1317 CB PHE A 91 21.394 -16.774 0.819 1.00 0.65 C ATOM 1318 CG PHE A 91 22.695 -17.436 0.466 1.00 0.66 C ATOM 1319 CD1 PHE A 91 22.701 -18.584 -0.296 1.00 0.93 C ATOM 1320 CD2 PHE A 91 23.913 -16.901 0.867 1.00 1.03 C ATOM 1321 CE1 PHE A 91 23.876 -19.187 -0.648 1.00 0.92 C ATOM 1322 CE2 PHE A 91 25.095 -17.504 0.502 1.00 1.19 C ATOM 1323 CZ PHE A 91 25.073 -18.650 -0.256 1.00 0.90 C ATOM 0 H PHE A 91 19.370 -15.757 1.807 1.00 0.66 H new ATOM 0 HA PHE A 91 20.351 -18.356 1.821 1.00 0.67 H new ATOM 0 HB2 PHE A 91 20.715 -16.858 -0.030 1.00 0.65 H new ATOM 0 HB3 PHE A 91 21.573 -15.711 0.980 1.00 0.65 H new ATOM 0 HD1 PHE A 91 21.764 -19.013 -0.620 1.00 0.93 H new ATOM 0 HD2 PHE A 91 23.932 -16.005 1.470 1.00 1.03 H new ATOM 0 HE1 PHE A 91 23.860 -20.091 -1.238 1.00 0.92 H new ATOM 0 HE2 PHE A 91 26.038 -17.077 0.811 1.00 1.19 H new ATOM 0 HZ PHE A 91 25.999 -19.127 -0.542 1.00 0.90 H new ATOM 1333 N VAL A 92 22.026 -16.294 3.789 1.00 0.64 N ATOM 1334 CA VAL A 92 22.944 -16.251 4.915 1.00 0.72 C ATOM 1335 C VAL A 92 22.428 -17.127 6.048 1.00 0.77 C ATOM 1336 O VAL A 92 23.154 -17.968 6.563 1.00 0.86 O ATOM 1337 CB VAL A 92 23.149 -14.812 5.432 1.00 0.77 C ATOM 1338 CG1 VAL A 92 24.351 -14.743 6.366 1.00 0.86 C ATOM 1339 CG2 VAL A 92 23.311 -13.843 4.268 1.00 1.37 C ATOM 0 H VAL A 92 21.675 -15.384 3.491 1.00 0.64 H new ATOM 0 HA VAL A 92 23.905 -16.627 4.565 1.00 0.72 H new ATOM 0 HB VAL A 92 22.264 -14.520 5.997 1.00 0.77 H new ATOM 0 HG11 VAL A 92 24.479 -13.720 6.720 1.00 0.86 H new ATOM 0 HG12 VAL A 92 24.189 -15.404 7.218 1.00 0.86 H new ATOM 0 HG13 VAL A 92 25.247 -15.056 5.830 1.00 0.86 H new ATOM 0 HG21 VAL A 92 23.454 -12.833 4.652 1.00 1.37 H new ATOM 0 HG22 VAL A 92 24.177 -14.131 3.673 1.00 1.37 H new ATOM 0 HG23 VAL A 92 22.417 -13.870 3.645 1.00 1.37 H new ATOM 1349 N ASP A 93 21.159 -16.945 6.409 1.00 0.77 N ATOM 1350 CA ASP A 93 20.544 -17.744 7.468 1.00 0.86 C ATOM 1351 C ASP A 93 20.781 -19.230 7.214 1.00 0.91 C ATOM 1352 O ASP A 93 21.301 -19.942 8.073 1.00 1.00 O ATOM 1353 CB ASP A 93 19.040 -17.455 7.559 1.00 0.90 C ATOM 1354 CG ASP A 93 18.257 -18.604 8.174 1.00 1.10 C ATOM 1355 OD1 ASP A 93 18.574 -18.994 9.317 1.00 1.55 O ATOM 1356 OD2 ASP A 93 17.332 -19.116 7.511 1.00 1.71 O ATOM 0 H ASP A 93 20.539 -16.255 5.986 1.00 0.77 H new ATOM 0 HA ASP A 93 21.006 -17.471 8.417 1.00 0.86 H new ATOM 0 HB2 ASP A 93 18.883 -16.555 8.153 1.00 0.90 H new ATOM 0 HB3 ASP A 93 18.653 -17.250 6.561 1.00 0.90 H new ATOM 1361 N HIS A 94 20.425 -19.688 6.017 1.00 0.89 N ATOM 1362 CA HIS A 94 20.621 -21.087 5.656 1.00 0.98 C ATOM 1363 C HIS A 94 22.072 -21.488 5.889 1.00 1.00 C ATOM 1364 O HIS A 94 22.356 -22.418 6.642 1.00 1.12 O ATOM 1365 CB HIS A 94 20.258 -21.316 4.189 1.00 1.00 C ATOM 1366 CG HIS A 94 18.785 -21.345 3.924 1.00 1.35 C ATOM 1367 ND1 HIS A 94 17.870 -21.986 4.731 1.00 2.17 N ATOM 1368 CD2 HIS A 94 18.069 -20.795 2.910 1.00 1.73 C ATOM 1369 CE1 HIS A 94 16.656 -21.812 4.192 1.00 2.46 C ATOM 1370 NE2 HIS A 94 16.722 -21.095 3.086 1.00 2.14 N ATOM 0 H HIS A 94 20.003 -19.115 5.286 1.00 0.89 H new ATOM 0 HA HIS A 94 19.971 -21.699 6.282 1.00 0.98 H new ATOM 0 HB2 HIS A 94 20.710 -20.528 3.586 1.00 1.00 H new ATOM 0 HB3 HIS A 94 20.695 -22.259 3.860 1.00 1.00 H new ATOM 0 HD2 HIS A 94 18.480 -20.216 2.096 1.00 1.73 H new ATOM 0 HE1 HIS A 94 15.741 -22.207 4.609 1.00 2.46 H new ATOM 0 HE2 HIS A 94 15.946 -20.818 2.485 1.00 2.14 H new ATOM 1378 N TRP A 95 22.987 -20.762 5.250 1.00 0.93 N ATOM 1379 CA TRP A 95 24.412 -21.026 5.393 1.00 1.00 C ATOM 1380 C TRP A 95 24.802 -21.080 6.867 1.00 1.06 C ATOM 1381 O TRP A 95 25.545 -21.964 7.294 1.00 1.16 O ATOM 1382 CB TRP A 95 25.213 -19.942 4.676 1.00 0.97 C ATOM 1383 CG TRP A 95 26.690 -20.161 4.734 1.00 1.09 C ATOM 1384 CD1 TRP A 95 27.364 -21.274 4.341 1.00 2.01 C ATOM 1385 CD2 TRP A 95 27.674 -19.245 5.221 1.00 1.04 C ATOM 1386 NE1 TRP A 95 28.704 -21.110 4.564 1.00 1.88 N ATOM 1387 CE2 TRP A 95 28.920 -19.867 5.103 1.00 1.04 C ATOM 1388 CE3 TRP A 95 27.616 -17.959 5.745 1.00 2.03 C ATOM 1389 CZ2 TRP A 95 30.103 -19.241 5.497 1.00 1.13 C ATOM 1390 CZ3 TRP A 95 28.783 -17.335 6.135 1.00 2.64 C ATOM 1391 CH2 TRP A 95 30.015 -17.978 6.011 1.00 2.05 C ATOM 0 H TRP A 95 22.764 -19.985 4.628 1.00 0.93 H new ATOM 0 HA TRP A 95 24.636 -21.993 4.943 1.00 1.00 H new ATOM 0 HB2 TRP A 95 24.900 -19.899 3.633 1.00 0.97 H new ATOM 0 HB3 TRP A 95 24.979 -18.974 5.119 1.00 0.97 H new ATOM 0 HD1 TRP A 95 26.909 -22.157 3.916 1.00 2.01 H new ATOM 0 HE1 TRP A 95 29.426 -21.801 4.362 1.00 1.88 H new ATOM 0 HE3 TRP A 95 26.667 -17.453 5.846 1.00 2.03 H new ATOM 0 HZ2 TRP A 95 31.057 -19.738 5.399 1.00 1.13 H new ATOM 0 HZ3 TRP A 95 28.742 -16.335 6.542 1.00 2.64 H new ATOM 0 HH2 TRP A 95 30.914 -17.469 6.326 1.00 2.05 H new ATOM 1402 N LYS A 96 24.287 -20.127 7.638 1.00 1.03 N ATOM 1403 CA LYS A 96 24.559 -20.057 9.068 1.00 1.12 C ATOM 1404 C LYS A 96 24.259 -21.396 9.734 1.00 1.21 C ATOM 1405 O LYS A 96 25.086 -21.926 10.474 1.00 1.32 O ATOM 1406 CB LYS A 96 23.741 -18.921 9.706 1.00 1.12 C ATOM 1407 CG LYS A 96 23.407 -19.126 11.180 1.00 1.49 C ATOM 1408 CD LYS A 96 22.154 -18.363 11.587 1.00 1.83 C ATOM 1409 CE LYS A 96 21.042 -19.306 12.026 1.00 2.36 C ATOM 1410 NZ LYS A 96 20.634 -20.235 10.935 1.00 2.86 N ATOM 0 H LYS A 96 23.675 -19.388 7.292 1.00 1.03 H new ATOM 0 HA LYS A 96 25.617 -19.840 9.218 1.00 1.12 H new ATOM 0 HB2 LYS A 96 24.295 -17.988 9.599 1.00 1.12 H new ATOM 0 HB3 LYS A 96 22.811 -18.805 9.150 1.00 1.12 H new ATOM 0 HG2 LYS A 96 23.265 -20.189 11.376 1.00 1.49 H new ATOM 0 HG3 LYS A 96 24.247 -18.798 11.792 1.00 1.49 H new ATOM 0 HD2 LYS A 96 22.393 -17.677 12.400 1.00 1.83 H new ATOM 0 HD3 LYS A 96 21.808 -17.757 10.750 1.00 1.83 H new ATOM 0 HE2 LYS A 96 21.376 -19.884 12.888 1.00 2.36 H new ATOM 0 HE3 LYS A 96 20.179 -18.723 12.348 1.00 2.36 H new ATOM 0 HZ1 LYS A 96 19.669 -20.002 10.624 1.00 2.86 H new ATOM 0 HZ2 LYS A 96 21.289 -20.138 10.133 1.00 2.86 H new ATOM 0 HZ3 LYS A 96 20.658 -21.214 11.285 1.00 2.86 H new ATOM 1424 N GLU A 97 23.078 -21.944 9.462 1.00 1.20 N ATOM 1425 CA GLU A 97 22.684 -23.231 10.031 1.00 1.32 C ATOM 1426 C GLU A 97 23.754 -24.287 9.757 1.00 1.36 C ATOM 1427 O GLU A 97 24.237 -24.955 10.674 1.00 1.47 O ATOM 1428 CB GLU A 97 21.343 -23.681 9.446 1.00 1.36 C ATOM 1429 CG GLU A 97 20.878 -25.036 9.958 1.00 1.86 C ATOM 1430 CD GLU A 97 20.218 -24.948 11.321 1.00 2.35 C ATOM 1431 OE1 GLU A 97 20.950 -24.873 12.330 1.00 3.03 O ATOM 1432 OE2 GLU A 97 18.970 -24.951 11.379 1.00 2.68 O ATOM 0 H GLU A 97 22.378 -21.519 8.853 1.00 1.20 H new ATOM 0 HA GLU A 97 22.578 -23.113 11.109 1.00 1.32 H new ATOM 0 HB2 GLU A 97 20.585 -22.934 9.681 1.00 1.36 H new ATOM 0 HB3 GLU A 97 21.425 -23.721 8.360 1.00 1.36 H new ATOM 0 HG2 GLU A 97 20.176 -25.468 9.245 1.00 1.86 H new ATOM 0 HG3 GLU A 97 21.731 -25.712 10.014 1.00 1.86 H new ATOM 1439 N LEU A 98 24.119 -24.431 8.485 1.00 1.31 N ATOM 1440 CA LEU A 98 25.133 -25.402 8.081 1.00 1.37 C ATOM 1441 C LEU A 98 26.415 -25.191 8.876 1.00 1.42 C ATOM 1442 O LEU A 98 27.002 -26.141 9.394 1.00 1.54 O ATOM 1443 CB LEU A 98 25.422 -25.291 6.582 1.00 1.31 C ATOM 1444 CG LEU A 98 24.187 -25.176 5.683 1.00 1.61 C ATOM 1445 CD1 LEU A 98 24.600 -25.002 4.230 1.00 2.07 C ATOM 1446 CD2 LEU A 98 23.290 -26.396 5.841 1.00 2.38 C ATOM 0 H LEU A 98 23.727 -23.887 7.716 1.00 1.31 H new ATOM 0 HA LEU A 98 24.749 -26.401 8.287 1.00 1.37 H new ATOM 0 HB2 LEU A 98 26.055 -24.420 6.415 1.00 1.31 H new ATOM 0 HB3 LEU A 98 25.995 -26.165 6.274 1.00 1.31 H new ATOM 0 HG LEU A 98 23.622 -24.295 5.989 1.00 1.61 H new ATOM 0 HD11 LEU A 98 23.710 -24.922 3.606 1.00 2.07 H new ATOM 0 HD12 LEU A 98 25.198 -24.096 4.128 1.00 2.07 H new ATOM 0 HD13 LEU A 98 25.189 -25.863 3.914 1.00 2.07 H new ATOM 0 HD21 LEU A 98 22.419 -26.294 5.194 1.00 2.38 H new ATOM 0 HD22 LEU A 98 23.844 -27.293 5.565 1.00 2.38 H new ATOM 0 HD23 LEU A 98 22.964 -26.476 6.878 1.00 2.38 H new ATOM 1458 N LYS A 99 26.839 -23.934 8.982 1.00 1.38 N ATOM 1459 CA LYS A 99 28.042 -23.594 9.730 1.00 1.47 C ATOM 1460 C LYS A 99 27.910 -24.103 11.161 1.00 1.60 C ATOM 1461 O LYS A 99 28.799 -24.779 11.680 1.00 1.74 O ATOM 1462 CB LYS A 99 28.261 -22.078 9.720 1.00 1.45 C ATOM 1463 CG LYS A 99 29.627 -21.654 9.201 1.00 1.90 C ATOM 1464 CD LYS A 99 29.851 -22.095 7.760 1.00 2.41 C ATOM 1465 CE LYS A 99 31.286 -22.544 7.527 1.00 3.14 C ATOM 1466 NZ LYS A 99 31.499 -23.964 7.923 1.00 4.07 N ATOM 0 H LYS A 99 26.366 -23.136 8.559 1.00 1.38 H new ATOM 0 HA LYS A 99 28.904 -24.068 9.261 1.00 1.47 H new ATOM 0 HB2 LYS A 99 27.490 -21.614 9.105 1.00 1.45 H new ATOM 0 HB3 LYS A 99 28.134 -21.696 10.733 1.00 1.45 H new ATOM 0 HG2 LYS A 99 29.720 -20.570 9.267 1.00 1.90 H new ATOM 0 HG3 LYS A 99 30.404 -22.080 9.836 1.00 1.90 H new ATOM 0 HD2 LYS A 99 29.170 -22.911 7.519 1.00 2.41 H new ATOM 0 HD3 LYS A 99 29.613 -21.272 7.086 1.00 2.41 H new ATOM 0 HE2 LYS A 99 31.538 -22.420 6.474 1.00 3.14 H new ATOM 0 HE3 LYS A 99 31.962 -21.904 8.094 1.00 3.14 H new ATOM 0 HZ1 LYS A 99 32.489 -24.228 7.748 1.00 4.07 H new ATOM 0 HZ2 LYS A 99 31.284 -24.078 8.934 1.00 4.07 H new ATOM 0 HZ3 LYS A 99 30.873 -24.578 7.364 1.00 4.07 H new ATOM 1480 N GLN A 100 26.774 -23.789 11.778 1.00 1.58 N ATOM 1481 CA GLN A 100 26.485 -24.222 13.140 1.00 1.72 C ATOM 1482 C GLN A 100 26.732 -25.721 13.278 1.00 1.81 C ATOM 1483 O GLN A 100 27.499 -26.159 14.137 1.00 1.95 O ATOM 1484 CB GLN A 100 25.032 -23.879 13.497 1.00 1.71 C ATOM 1485 CG GLN A 100 24.897 -22.879 14.638 1.00 1.93 C ATOM 1486 CD GLN A 100 23.734 -21.924 14.440 1.00 2.66 C ATOM 1487 OE1 GLN A 100 23.643 -21.241 13.419 1.00 3.23 O ATOM 1488 NE2 GLN A 100 22.837 -21.869 15.418 1.00 3.33 N ATOM 0 H GLN A 100 26.034 -23.232 11.351 1.00 1.58 H new ATOM 0 HA GLN A 100 27.147 -23.700 13.830 1.00 1.72 H new ATOM 0 HB2 GLN A 100 24.536 -23.477 12.614 1.00 1.71 H new ATOM 0 HB3 GLN A 100 24.508 -24.796 13.767 1.00 1.71 H new ATOM 0 HG2 GLN A 100 24.764 -23.419 15.576 1.00 1.93 H new ATOM 0 HG3 GLN A 100 25.821 -22.308 14.727 1.00 1.93 H new ATOM 0 HE21 GLN A 100 22.950 -22.452 16.247 1.00 3.33 H new ATOM 0 HE22 GLN A 100 22.035 -21.244 15.340 1.00 3.33 H new ATOM 1497 N LEU A 101 26.091 -26.503 12.413 1.00 1.77 N ATOM 1498 CA LEU A 101 26.258 -27.952 12.422 1.00 1.89 C ATOM 1499 C LEU A 101 27.739 -28.311 12.381 1.00 1.96 C ATOM 1500 O LEU A 101 28.233 -29.064 13.219 1.00 2.12 O ATOM 1501 CB LEU A 101 25.535 -28.580 11.224 1.00 1.86 C ATOM 1502 CG LEU A 101 25.796 -30.078 11.013 1.00 2.09 C ATOM 1503 CD1 LEU A 101 25.051 -30.906 12.052 1.00 2.56 C ATOM 1504 CD2 LEU A 101 25.398 -30.500 9.604 1.00 2.59 C ATOM 0 H LEU A 101 25.452 -26.157 11.698 1.00 1.77 H new ATOM 0 HA LEU A 101 25.823 -28.345 13.341 1.00 1.89 H new ATOM 0 HB2 LEU A 101 24.463 -28.429 11.347 1.00 1.86 H new ATOM 0 HB3 LEU A 101 25.831 -28.046 10.321 1.00 1.86 H new ATOM 0 HG LEU A 101 26.864 -30.258 11.135 1.00 2.09 H new ATOM 0 HD11 LEU A 101 25.250 -31.965 11.884 1.00 2.56 H new ATOM 0 HD12 LEU A 101 25.389 -30.627 13.050 1.00 2.56 H new ATOM 0 HD13 LEU A 101 23.980 -30.720 11.966 1.00 2.56 H new ATOM 0 HD21 LEU A 101 25.591 -31.565 9.475 1.00 2.59 H new ATOM 0 HD22 LEU A 101 24.337 -30.302 9.451 1.00 2.59 H new ATOM 0 HD23 LEU A 101 25.981 -29.935 8.877 1.00 2.59 H new ATOM 1516 N ALA A 102 28.443 -27.755 11.396 1.00 1.86 N ATOM 1517 CA ALA A 102 29.871 -28.004 11.237 1.00 1.95 C ATOM 1518 C ALA A 102 30.613 -27.795 12.552 1.00 2.09 C ATOM 1519 O ALA A 102 31.445 -28.614 12.943 1.00 2.24 O ATOM 1520 CB ALA A 102 30.444 -27.103 10.152 1.00 1.85 C ATOM 0 H ALA A 102 28.045 -27.129 10.696 1.00 1.86 H new ATOM 0 HA ALA A 102 30.005 -29.044 10.938 1.00 1.95 H new ATOM 0 HB1 ALA A 102 31.511 -27.298 10.043 1.00 1.85 H new ATOM 0 HB2 ALA A 102 29.939 -27.305 9.207 1.00 1.85 H new ATOM 0 HB3 ALA A 102 30.293 -26.059 10.428 1.00 1.85 H new ATOM 1526 N ALA A 103 30.311 -26.690 13.228 1.00 2.07 N ATOM 1527 CA ALA A 103 30.951 -26.377 14.501 1.00 2.24 C ATOM 1528 C ALA A 103 30.809 -27.539 15.477 1.00 2.38 C ATOM 1529 O ALA A 103 31.794 -27.999 16.057 1.00 2.56 O ATOM 1530 CB ALA A 103 30.363 -25.105 15.093 1.00 2.21 C ATOM 0 H ALA A 103 29.629 -25.998 12.916 1.00 2.07 H new ATOM 0 HA ALA A 103 32.013 -26.214 14.320 1.00 2.24 H new ATOM 0 HB1 ALA A 103 30.852 -24.886 16.042 1.00 2.21 H new ATOM 0 HB2 ALA A 103 30.521 -24.276 14.404 1.00 2.21 H new ATOM 0 HB3 ALA A 103 29.294 -25.241 15.258 1.00 2.21 H new ATOM 1536 N ALA A 104 29.578 -28.018 15.647 1.00 2.34 N ATOM 1537 CA ALA A 104 29.314 -29.137 16.546 1.00 2.50 C ATOM 1538 C ALA A 104 30.118 -30.360 16.123 1.00 2.58 C ATOM 1539 O ALA A 104 30.674 -31.071 16.959 1.00 2.74 O ATOM 1540 CB ALA A 104 27.826 -29.458 16.578 1.00 2.48 C ATOM 0 H ALA A 104 28.752 -27.650 15.176 1.00 2.34 H new ATOM 0 HA ALA A 104 29.624 -28.853 17.552 1.00 2.50 H new ATOM 0 HB1 ALA A 104 27.649 -30.295 17.254 1.00 2.48 H new ATOM 0 HB2 ALA A 104 27.273 -28.586 16.928 1.00 2.48 H new ATOM 0 HB3 ALA A 104 27.489 -29.723 15.576 1.00 2.48 H new ATOM 1546 N ARG A 105 30.179 -30.591 14.813 1.00 2.50 N ATOM 1547 CA ARG A 105 30.920 -31.722 14.265 1.00 2.60 C ATOM 1548 C ARG A 105 32.367 -31.682 14.743 1.00 2.72 C ATOM 1549 O ARG A 105 32.931 -32.700 15.143 1.00 2.88 O ATOM 1550 CB ARG A 105 30.866 -31.697 12.732 1.00 2.49 C ATOM 1551 CG ARG A 105 30.806 -33.078 12.093 1.00 2.62 C ATOM 1552 CD ARG A 105 30.147 -33.028 10.721 1.00 2.76 C ATOM 1553 NE ARG A 105 30.155 -34.329 10.056 1.00 3.19 N ATOM 1554 CZ ARG A 105 29.357 -35.340 10.389 1.00 3.86 C ATOM 1555 NH1 ARG A 105 28.487 -35.192 11.377 1.00 4.42 N ATOM 1556 NH2 ARG A 105 29.431 -36.495 9.742 1.00 4.39 N ATOM 0 H ARG A 105 29.723 -30.008 14.111 1.00 2.50 H new ATOM 0 HA ARG A 105 30.461 -32.646 14.616 1.00 2.60 H new ATOM 0 HB2 ARG A 105 29.993 -31.124 12.418 1.00 2.49 H new ATOM 0 HB3 ARG A 105 31.744 -31.172 12.356 1.00 2.49 H new ATOM 0 HG2 ARG A 105 31.814 -33.481 11.999 1.00 2.62 H new ATOM 0 HG3 ARG A 105 30.250 -33.756 12.741 1.00 2.62 H new ATOM 0 HD2 ARG A 105 29.119 -32.682 10.826 1.00 2.76 H new ATOM 0 HD3 ARG A 105 30.666 -32.300 10.097 1.00 2.76 H new ATOM 0 HE ARG A 105 30.813 -34.471 9.289 1.00 3.19 H new ATOM 0 HH11 ARG A 105 28.431 -34.306 11.879 1.00 4.42 H new ATOM 0 HH12 ARG A 105 27.873 -35.964 11.636 1.00 4.42 H new ATOM 0 HH21 ARG A 105 30.103 -36.613 8.984 1.00 4.39 H new ATOM 0 HH22 ARG A 105 28.816 -37.266 10.003 1.00 4.39 H new ATOM 1570 N GLY A 106 32.958 -30.488 14.702 1.00 2.67 N ATOM 1571 CA GLY A 106 34.334 -30.316 15.132 1.00 2.83 C ATOM 1572 C GLY A 106 34.573 -30.877 16.519 1.00 3.06 C ATOM 1573 O GLY A 106 35.462 -31.706 16.714 1.00 3.27 O ATOM 0 H GLY A 106 32.504 -29.634 14.377 1.00 2.67 H new ATOM 0 HA2 GLY A 106 34.999 -30.809 14.423 1.00 2.83 H new ATOM 0 HA3 GLY A 106 34.586 -29.256 15.122 1.00 2.83 H new ATOM 1577 N GLN A 107 33.770 -30.430 17.483 1.00 3.06 N ATOM 1578 CA GLN A 107 33.893 -30.902 18.858 1.00 3.32 C ATOM 1579 C GLN A 107 33.708 -32.414 18.913 1.00 3.48 C ATOM 1580 O GLN A 107 34.509 -33.118 19.524 1.00 3.75 O ATOM 1581 CB GLN A 107 32.855 -30.215 19.751 1.00 3.32 C ATOM 1582 CG GLN A 107 33.311 -28.873 20.303 1.00 3.59 C ATOM 1583 CD GLN A 107 33.255 -27.767 19.267 1.00 3.56 C ATOM 1584 OE1 GLN A 107 32.190 -27.450 18.739 1.00 3.65 O ATOM 1585 NE2 GLN A 107 34.406 -27.172 18.973 1.00 4.07 N ATOM 0 H GLN A 107 33.030 -29.744 17.337 1.00 3.06 H new ATOM 0 HA GLN A 107 34.890 -30.654 19.223 1.00 3.32 H new ATOM 0 HB2 GLN A 107 31.938 -30.070 19.180 1.00 3.32 H new ATOM 0 HB3 GLN A 107 32.611 -30.876 20.583 1.00 3.32 H new ATOM 0 HG2 GLN A 107 32.684 -28.602 21.153 1.00 3.59 H new ATOM 0 HG3 GLN A 107 34.331 -28.965 20.676 1.00 3.59 H new ATOM 0 HE21 GLN A 107 35.266 -27.467 19.436 1.00 4.07 H new ATOM 0 HE22 GLN A 107 34.430 -26.420 18.285 1.00 4.07 H new