USER MOD reduce.3.24.130724 H: found=0, std=0, add=1272, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1271 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 134 LYS NZ :NH3+ -155:sc= 0 (180deg=0) USER MOD Set 1.2: A 137 CYS SG : rot 67:sc= 0.465 USER MOD Set 2.1: A 99 THR OG1 : rot 180:sc= -0.349 USER MOD Set 2.2: A 103 GLN : amide:sc=-0.00873 K(o=-0.36,f=-1.4) USER MOD Set 3.1: A 91 SER OG : rot 180:sc= 0.0926 USER MOD Set 3.2: A 94 ASN : amide:sc= -0.104 X(o=-0.011,f=0.093) USER MOD Set 4.1: A 75 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 139 ASN : amide:sc= -0.0793 K(o=-0.079,f=-1.5!) USER MOD Set 5.1: A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 5.2: A 84 GLN : amide:sc= 0.638 K(o=0.64,f=0) USER MOD Set 6.1: A 31 ASN : amide:sc= -0.242 K(o=-0.26,f=-2.2!) USER MOD Set 6.2: A 34 THR OG1 : rot -150:sc= -0.0137 USER MOD Set 7.1: A 24 ASN : amide:sc= 0.205 K(o=0.26,f=-3!) USER MOD Set 7.2: A 26 GLN : amide:sc= 0.0521 K(o=0.26,f=-1.4!) USER MOD Set 8.1: A 21 ASN : amide:sc= 0.586 K(o=1.4,f=-4.4!) USER MOD Set 8.2: A 113 ASN : amide:sc= 0.832 K(o=1.4,f=-9.5!) USER MOD Set 9.1: A 1 MET N :NH3+ 166:sc= 1.03 (180deg=-0.0866) USER MOD Set 9.2: A 4 SER OG : rot -48:sc= 2.21 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ -168:sc= -0.0304 (180deg=-0.217) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl -167:sc= 0 (180deg=-0.223) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.058) USER MOD Single : A 56 ASN : amide:sc= 0.392 X(o=0.39,f=0) USER MOD Single : A 61 TYR OH : rot -58:sc= 1.03 USER MOD Single : A 64 LYS NZ :NH3+ -111:sc= 1.14 (180deg=-1.03) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ -133:sc= 1.21 (180deg=0.815) USER MOD Single : A 72 THR OG1 : rot 150:sc=0.000361 USER MOD Single : A 73 LYS NZ :NH3+ -172:sc= -0.208 (180deg=-0.25) USER MOD Single : A 76 HIS : no HD1:sc= -1.98 K(o=-2,f=-2.8!) USER MOD Single : A 78 ASN : amide:sc= -1.14 K(o=-1.1,f=-6.2!) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 CYS SG : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ -126:sc= 1.4 (180deg=0.0912) USER MOD Single : A 100 LYS NZ :NH3+ -149:sc= 1.17 (180deg=0.301) USER MOD Single : A 101 THR OG1 : rot -162:sc= 1.83 USER MOD Single : A 106 GLN : amide:sc= -0.487 X(o=-0.49,f=-0.98) USER MOD Single : A 107 SER OG : rot -150:sc= 0 USER MOD Single : A 116 GLN : amide:sc= -0.105 K(o=-0.11,f=-1.7) USER MOD Single : A 119 HIS : no HE2:sc= 0.178 K(o=0.18,f=-1.7) USER MOD Single : A 129 TYR OH : rot 180:sc= 0 USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD Single : A 131 LYS NZ :NH3+ -110:sc= 0.849 (180deg=-0.929) USER MOD Single : A 135 LYS NZ :NH3+ 165:sc= 0.34 (180deg=0.164) USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 144 THR OG1 : rot 19:sc= 1.54 USER MOD Single : A 145 LYS NZ :NH3+ -135:sc= 1.19 (180deg=-0.914) USER MOD Single : A 146 LYS NZ :NH3+ -178:sc= 1.05 (180deg=1.05) USER MOD Single : A 147 TYR OH : rot 180:sc= 0 USER MOD Single : A 150 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -21.099 -6.014 8.255 1.00 3.26 N ATOM 2 CA MET A 1 -20.983 -4.770 9.044 1.00 1.22 C ATOM 3 C MET A 1 -21.386 -3.540 8.243 1.00 1.01 C ATOM 4 O MET A 1 -21.383 -3.575 7.020 1.00 1.19 O ATOM 5 CB MET A 1 -19.591 -4.634 9.674 1.00 1.45 C ATOM 6 CG MET A 1 -19.678 -5.167 11.098 1.00 2.47 C ATOM 7 SD MET A 1 -20.787 -4.169 12.125 1.00 4.03 S ATOM 8 CE MET A 1 -20.574 -5.013 13.713 1.00 5.47 C ATOM 0 H1 MET A 1 -20.600 -6.784 8.745 1.00 3.26 H new ATOM 0 H2 MET A 1 -22.103 -6.265 8.148 1.00 3.26 H new ATOM 0 H3 MET A 1 -20.677 -5.870 7.316 1.00 3.26 H new ATOM 0 HA MET A 1 -21.696 -4.839 9.865 1.00 1.22 H new ATOM 0 HB2 MET A 1 -18.854 -5.195 9.099 1.00 1.45 H new ATOM 0 HB3 MET A 1 -19.270 -3.592 9.674 1.00 1.45 H new ATOM 0 HG2 MET A 1 -20.031 -6.198 11.079 1.00 2.47 H new ATOM 0 HG3 MET A 1 -18.683 -5.178 11.543 1.00 2.47 H new ATOM 0 HE1 MET A 1 -21.190 -4.526 14.469 1.00 5.47 H new ATOM 0 HE2 MET A 1 -20.876 -6.056 13.614 1.00 5.47 H new ATOM 0 HE3 MET A 1 -19.527 -4.966 14.013 1.00 5.47 H new ATOM 20 N ALA A 2 -21.753 -2.442 8.912 1.00 0.89 N ATOM 21 CA ALA A 2 -22.169 -1.231 8.211 1.00 0.71 C ATOM 22 C ALA A 2 -21.046 -0.754 7.293 1.00 0.58 C ATOM 23 O ALA A 2 -21.242 -0.608 6.087 1.00 0.67 O ATOM 24 CB ALA A 2 -22.568 -0.150 9.215 1.00 0.76 C ATOM 0 H ALA A 2 -21.769 -2.370 9.929 1.00 0.89 H new ATOM 0 HA ALA A 2 -23.041 -1.449 7.595 1.00 0.71 H new ATOM 0 HB1 ALA A 2 -22.876 0.748 8.680 1.00 0.76 H new ATOM 0 HB2 ALA A 2 -23.395 -0.509 9.827 1.00 0.76 H new ATOM 0 HB3 ALA A 2 -21.717 0.083 9.855 1.00 0.76 H new ATOM 30 N ALA A 3 -19.846 -0.596 7.856 1.00 0.49 N ATOM 31 CA ALA A 3 -18.660 -0.273 7.074 1.00 0.41 C ATOM 32 C ALA A 3 -18.492 -1.277 5.940 1.00 0.34 C ATOM 33 O ALA A 3 -18.210 -0.898 4.813 1.00 0.31 O ATOM 34 CB ALA A 3 -17.420 -0.277 7.968 1.00 0.47 C ATOM 0 H ALA A 3 -19.674 -0.688 8.857 1.00 0.49 H new ATOM 0 HA ALA A 3 -18.781 0.723 6.648 1.00 0.41 H new ATOM 0 HB1 ALA A 3 -16.541 -0.034 7.371 1.00 0.47 H new ATOM 0 HB2 ALA A 3 -17.539 0.465 8.758 1.00 0.47 H new ATOM 0 HB3 ALA A 3 -17.295 -1.264 8.413 1.00 0.47 H new ATOM 40 N SER A 4 -18.701 -2.561 6.225 1.00 0.40 N ATOM 41 CA SER A 4 -18.513 -3.636 5.264 1.00 0.40 C ATOM 42 C SER A 4 -19.319 -3.416 3.996 1.00 0.41 C ATOM 43 O SER A 4 -18.897 -3.812 2.920 1.00 0.37 O ATOM 44 CB SER A 4 -18.838 -4.981 5.910 1.00 0.42 C ATOM 45 OG SER A 4 -20.159 -5.454 5.732 1.00 1.38 O ATOM 0 H SER A 4 -19.009 -2.884 7.142 1.00 0.40 H new ATOM 0 HA SER A 4 -17.465 -3.640 4.965 1.00 0.40 H new ATOM 0 HB2 SER A 4 -18.150 -5.727 5.513 1.00 0.42 H new ATOM 0 HB3 SER A 4 -18.642 -4.904 6.980 1.00 0.42 H new ATOM 0 HG SER A 4 -20.794 -4.737 5.939 1.00 1.38 H new ATOM 51 N ARG A 5 -20.498 -2.805 4.116 1.00 0.53 N ATOM 52 CA ARG A 5 -21.304 -2.512 2.942 1.00 0.63 C ATOM 53 C ARG A 5 -20.555 -1.570 2.016 1.00 0.60 C ATOM 54 O ARG A 5 -20.512 -1.787 0.806 1.00 0.68 O ATOM 55 CB ARG A 5 -22.637 -1.897 3.365 1.00 0.80 C ATOM 56 CG ARG A 5 -23.344 -2.844 4.337 1.00 1.00 C ATOM 57 CD ARG A 5 -24.853 -2.585 4.340 1.00 1.39 C ATOM 58 NE ARG A 5 -25.591 -3.735 4.889 1.00 1.88 N ATOM 59 CZ ARG A 5 -25.790 -4.900 4.254 1.00 2.45 C ATOM 60 NH1 ARG A 5 -26.434 -5.897 4.863 1.00 2.91 N ATOM 61 NH2 ARG A 5 -25.337 -5.074 3.011 1.00 3.34 N ATOM 0 H ARG A 5 -20.907 -2.509 5.002 1.00 0.53 H new ATOM 0 HA ARG A 5 -21.502 -3.440 2.406 1.00 0.63 H new ATOM 0 HB2 ARG A 5 -22.470 -0.929 3.838 1.00 0.80 H new ATOM 0 HB3 ARG A 5 -23.263 -1.721 2.490 1.00 0.80 H new ATOM 0 HG2 ARG A 5 -23.148 -3.878 4.053 1.00 1.00 H new ATOM 0 HG3 ARG A 5 -22.944 -2.708 5.342 1.00 1.00 H new ATOM 0 HD2 ARG A 5 -25.070 -1.695 4.930 1.00 1.39 H new ATOM 0 HD3 ARG A 5 -25.192 -2.384 3.324 1.00 1.39 H new ATOM 0 HE ARG A 5 -25.982 -3.638 5.826 1.00 1.88 H new ATOM 0 HH11 ARG A 5 -26.778 -5.776 5.816 1.00 2.91 H new ATOM 0 HH12 ARG A 5 -26.583 -6.781 4.376 1.00 2.91 H new ATOM 0 HH21 ARG A 5 -24.837 -4.320 2.540 1.00 3.34 H new ATOM 0 HH22 ARG A 5 -25.490 -5.961 2.532 1.00 3.34 H new ATOM 75 N ARG A 6 -19.972 -0.524 2.600 1.00 0.51 N ATOM 76 CA ARG A 6 -19.175 0.439 1.859 1.00 0.56 C ATOM 77 C ARG A 6 -18.023 -0.315 1.218 1.00 0.43 C ATOM 78 O ARG A 6 -17.866 -0.276 0.011 1.00 0.46 O ATOM 79 CB ARG A 6 -18.690 1.573 2.774 1.00 0.62 C ATOM 80 CG ARG A 6 -19.861 2.315 3.441 1.00 0.78 C ATOM 81 CD ARG A 6 -20.305 3.545 2.644 1.00 1.61 C ATOM 82 NE ARG A 6 -19.292 4.617 2.675 1.00 1.86 N ATOM 83 CZ ARG A 6 -19.440 5.840 2.150 1.00 2.19 C ATOM 84 NH1 ARG A 6 -18.458 6.737 2.253 1.00 2.90 N ATOM 85 NH2 ARG A 6 -20.568 6.166 1.519 1.00 2.55 N ATOM 0 H ARG A 6 -20.042 -0.325 3.598 1.00 0.51 H new ATOM 0 HA ARG A 6 -19.772 0.917 1.082 1.00 0.56 H new ATOM 0 HB2 ARG A 6 -18.035 1.164 3.543 1.00 0.62 H new ATOM 0 HB3 ARG A 6 -18.097 2.279 2.193 1.00 0.62 H new ATOM 0 HG2 ARG A 6 -20.704 1.633 3.550 1.00 0.78 H new ATOM 0 HG3 ARG A 6 -19.568 2.623 4.445 1.00 0.78 H new ATOM 0 HD2 ARG A 6 -20.497 3.257 1.610 1.00 1.61 H new ATOM 0 HD3 ARG A 6 -21.244 3.921 3.050 1.00 1.61 H new ATOM 0 HE ARG A 6 -18.405 4.409 3.134 1.00 1.86 H new ATOM 0 HH11 ARG A 6 -17.592 6.492 2.733 1.00 2.90 H new ATOM 0 HH12 ARG A 6 -18.573 7.668 1.852 1.00 2.90 H new ATOM 0 HH21 ARG A 6 -21.321 5.483 1.435 1.00 2.55 H new ATOM 0 HH22 ARG A 6 -20.678 7.098 1.120 1.00 2.55 H new ATOM 99 N LEU A 7 -17.251 -1.040 2.020 1.00 0.38 N ATOM 100 CA LEU A 7 -16.019 -1.690 1.605 1.00 0.32 C ATOM 101 C LEU A 7 -16.269 -2.671 0.470 1.00 0.33 C ATOM 102 O LEU A 7 -15.465 -2.742 -0.443 1.00 0.38 O ATOM 103 CB LEU A 7 -15.372 -2.409 2.793 1.00 0.24 C ATOM 104 CG LEU A 7 -14.970 -1.453 3.924 1.00 0.29 C ATOM 105 CD1 LEU A 7 -14.530 -2.287 5.126 1.00 0.40 C ATOM 106 CD2 LEU A 7 -13.836 -0.505 3.540 1.00 0.40 C ATOM 0 H LEU A 7 -17.473 -1.194 3.003 1.00 0.38 H new ATOM 0 HA LEU A 7 -15.338 -0.920 1.242 1.00 0.32 H new ATOM 0 HB2 LEU A 7 -16.067 -3.153 3.183 1.00 0.24 H new ATOM 0 HB3 LEU A 7 -14.489 -2.947 2.448 1.00 0.24 H new ATOM 0 HG LEU A 7 -15.838 -0.834 4.152 1.00 0.29 H new ATOM 0 HD11 LEU A 7 -14.240 -1.625 5.942 1.00 0.40 H new ATOM 0 HD12 LEU A 7 -15.355 -2.922 5.450 1.00 0.40 H new ATOM 0 HD13 LEU A 7 -13.681 -2.910 4.845 1.00 0.40 H new ATOM 0 HD21 LEU A 7 -13.602 0.143 4.385 1.00 0.40 H new ATOM 0 HD22 LEU A 7 -12.953 -1.084 3.271 1.00 0.40 H new ATOM 0 HD23 LEU A 7 -14.143 0.104 2.690 1.00 0.40 H new ATOM 118 N MET A 8 -17.357 -3.436 0.516 1.00 0.34 N ATOM 119 CA MET A 8 -17.695 -4.401 -0.518 1.00 0.37 C ATOM 120 C MET A 8 -18.006 -3.678 -1.820 1.00 0.34 C ATOM 121 O MET A 8 -17.480 -4.049 -2.868 1.00 0.32 O ATOM 122 CB MET A 8 -18.872 -5.272 -0.048 1.00 0.41 C ATOM 123 CG MET A 8 -19.359 -6.228 -1.143 1.00 0.57 C ATOM 124 SD MET A 8 -18.117 -7.427 -1.690 1.00 2.79 S ATOM 125 CE MET A 8 -18.982 -8.118 -3.127 1.00 2.74 C ATOM 0 H MET A 8 -18.032 -3.401 1.280 1.00 0.34 H new ATOM 0 HA MET A 8 -16.847 -5.060 -0.703 1.00 0.37 H new ATOM 0 HB2 MET A 8 -18.569 -5.848 0.826 1.00 0.41 H new ATOM 0 HB3 MET A 8 -19.696 -4.629 0.263 1.00 0.41 H new ATOM 0 HG2 MET A 8 -20.232 -6.768 -0.776 1.00 0.57 H new ATOM 0 HG3 MET A 8 -19.685 -5.642 -2.002 1.00 0.57 H new ATOM 0 HE1 MET A 8 -18.359 -8.881 -3.594 1.00 2.74 H new ATOM 0 HE2 MET A 8 -19.923 -8.564 -2.805 1.00 2.74 H new ATOM 0 HE3 MET A 8 -19.184 -7.324 -3.846 1.00 2.74 H new ATOM 135 N LYS A 9 -18.860 -2.650 -1.775 1.00 0.37 N ATOM 136 CA LYS A 9 -19.205 -1.925 -2.996 1.00 0.39 C ATOM 137 C LYS A 9 -17.945 -1.334 -3.614 1.00 0.33 C ATOM 138 O LYS A 9 -17.675 -1.534 -4.792 1.00 0.33 O ATOM 139 CB LYS A 9 -20.238 -0.824 -2.718 1.00 0.61 C ATOM 140 CG LYS A 9 -21.649 -1.267 -3.106 1.00 1.50 C ATOM 141 CD LYS A 9 -22.283 -2.265 -2.135 1.00 2.01 C ATOM 142 CE LYS A 9 -23.652 -2.717 -2.665 1.00 2.97 C ATOM 143 NZ LYS A 9 -24.591 -1.588 -2.859 1.00 3.41 N ATOM 0 H LYS A 9 -19.314 -2.310 -0.927 1.00 0.37 H new ATOM 0 HA LYS A 9 -19.655 -2.626 -3.699 1.00 0.39 H new ATOM 0 HB2 LYS A 9 -20.216 -0.562 -1.660 1.00 0.61 H new ATOM 0 HB3 LYS A 9 -19.972 0.075 -3.275 1.00 0.61 H new ATOM 0 HG2 LYS A 9 -22.288 -0.387 -3.173 1.00 1.50 H new ATOM 0 HG3 LYS A 9 -21.617 -1.714 -4.099 1.00 1.50 H new ATOM 0 HD2 LYS A 9 -21.629 -3.128 -2.010 1.00 2.01 H new ATOM 0 HD3 LYS A 9 -22.397 -1.807 -1.153 1.00 2.01 H new ATOM 0 HE2 LYS A 9 -23.516 -3.238 -3.613 1.00 2.97 H new ATOM 0 HE3 LYS A 9 -24.089 -3.432 -1.968 1.00 2.97 H new ATOM 0 HZ1 LYS A 9 -25.550 -1.958 -3.019 1.00 3.41 H new ATOM 0 HZ2 LYS A 9 -24.589 -0.985 -2.011 1.00 3.41 H new ATOM 0 HZ3 LYS A 9 -24.294 -1.027 -3.683 1.00 3.41 H new ATOM 157 N GLU A 10 -17.175 -0.633 -2.791 1.00 0.34 N ATOM 158 CA GLU A 10 -15.921 0.002 -3.139 1.00 0.34 C ATOM 159 C GLU A 10 -14.998 -1.016 -3.778 1.00 0.29 C ATOM 160 O GLU A 10 -14.419 -0.741 -4.811 1.00 0.34 O ATOM 161 CB GLU A 10 -15.265 0.571 -1.877 1.00 0.40 C ATOM 162 CG GLU A 10 -16.010 1.798 -1.345 1.00 0.63 C ATOM 163 CD GLU A 10 -15.793 3.032 -2.208 1.00 1.17 C ATOM 164 OE1 GLU A 10 -14.621 3.354 -2.480 1.00 1.86 O ATOM 165 OE2 GLU A 10 -16.805 3.705 -2.508 1.00 1.92 O ATOM 0 H GLU A 10 -17.426 -0.488 -1.813 1.00 0.34 H new ATOM 0 HA GLU A 10 -16.109 0.812 -3.844 1.00 0.34 H new ATOM 0 HB2 GLU A 10 -15.236 -0.198 -1.105 1.00 0.40 H new ATOM 0 HB3 GLU A 10 -14.232 0.841 -2.096 1.00 0.40 H new ATOM 0 HG2 GLU A 10 -17.076 1.578 -1.294 1.00 0.63 H new ATOM 0 HG3 GLU A 10 -15.679 2.007 -0.328 1.00 0.63 H new ATOM 172 N LEU A 11 -14.840 -2.189 -3.172 1.00 0.26 N ATOM 173 CA LEU A 11 -13.899 -3.200 -3.621 1.00 0.24 C ATOM 174 C LEU A 11 -14.252 -3.674 -5.014 1.00 0.25 C ATOM 175 O LEU A 11 -13.377 -3.821 -5.867 1.00 0.24 O ATOM 176 CB LEU A 11 -13.913 -4.375 -2.647 1.00 0.24 C ATOM 177 CG LEU A 11 -12.741 -5.317 -2.930 1.00 0.21 C ATOM 178 CD1 LEU A 11 -12.244 -5.869 -1.604 1.00 0.31 C ATOM 179 CD2 LEU A 11 -13.137 -6.487 -3.836 1.00 0.24 C ATOM 0 H LEU A 11 -15.370 -2.464 -2.345 1.00 0.26 H new ATOM 0 HA LEU A 11 -12.900 -2.766 -3.651 1.00 0.24 H new ATOM 0 HB2 LEU A 11 -13.853 -4.007 -1.623 1.00 0.24 H new ATOM 0 HB3 LEU A 11 -14.854 -4.918 -2.736 1.00 0.24 H new ATOM 0 HG LEU A 11 -11.967 -4.750 -3.447 1.00 0.21 H new ATOM 0 HD11 LEU A 11 -11.407 -6.544 -1.782 1.00 0.31 H new ATOM 0 HD12 LEU A 11 -11.918 -5.047 -0.967 1.00 0.31 H new ATOM 0 HD13 LEU A 11 -13.050 -6.412 -1.111 1.00 0.31 H new ATOM 0 HD21 LEU A 11 -12.270 -7.125 -4.006 1.00 0.24 H new ATOM 0 HD22 LEU A 11 -13.926 -7.067 -3.357 1.00 0.24 H new ATOM 0 HD23 LEU A 11 -13.497 -6.103 -4.790 1.00 0.24 H new ATOM 191 N GLU A 12 -15.537 -3.934 -5.231 1.00 0.29 N ATOM 192 CA GLU A 12 -16.011 -4.340 -6.538 1.00 0.33 C ATOM 193 C GLU A 12 -15.678 -3.243 -7.547 1.00 0.33 C ATOM 194 O GLU A 12 -15.071 -3.521 -8.580 1.00 0.34 O ATOM 195 CB GLU A 12 -17.503 -4.682 -6.469 1.00 0.41 C ATOM 196 CG GLU A 12 -17.973 -5.260 -7.807 1.00 0.47 C ATOM 197 CD GLU A 12 -19.322 -5.964 -7.672 1.00 0.82 C ATOM 198 OE1 GLU A 12 -19.326 -7.068 -7.082 1.00 1.49 O ATOM 199 OE2 GLU A 12 -20.315 -5.416 -8.196 1.00 2.21 O ATOM 0 H GLU A 12 -16.263 -3.869 -4.517 1.00 0.29 H new ATOM 0 HA GLU A 12 -15.509 -5.248 -6.874 1.00 0.33 H new ATOM 0 HB2 GLU A 12 -17.683 -5.401 -5.670 1.00 0.41 H new ATOM 0 HB3 GLU A 12 -18.078 -3.788 -6.228 1.00 0.41 H new ATOM 0 HG2 GLU A 12 -18.052 -4.459 -8.542 1.00 0.47 H new ATOM 0 HG3 GLU A 12 -17.230 -5.964 -8.181 1.00 0.47 H new ATOM 206 N GLU A 13 -16.008 -1.991 -7.223 1.00 0.33 N ATOM 207 CA GLU A 13 -15.680 -0.829 -8.038 1.00 0.34 C ATOM 208 C GLU A 13 -14.178 -0.723 -8.291 1.00 0.31 C ATOM 209 O GLU A 13 -13.783 -0.369 -9.394 1.00 0.36 O ATOM 210 CB GLU A 13 -16.221 0.462 -7.400 1.00 0.40 C ATOM 211 CG GLU A 13 -17.529 0.871 -8.083 1.00 0.66 C ATOM 212 CD GLU A 13 -18.116 2.147 -7.475 1.00 1.95 C ATOM 213 OE1 GLU A 13 -19.047 2.016 -6.649 1.00 2.73 O ATOM 214 OE2 GLU A 13 -17.640 3.236 -7.862 1.00 3.44 O ATOM 0 H GLU A 13 -16.519 -1.757 -6.372 1.00 0.33 H new ATOM 0 HA GLU A 13 -16.166 -0.962 -9.004 1.00 0.34 H new ATOM 0 HB2 GLU A 13 -16.389 0.309 -6.334 1.00 0.40 H new ATOM 0 HB3 GLU A 13 -15.486 1.261 -7.495 1.00 0.40 H new ATOM 0 HG2 GLU A 13 -17.350 1.025 -9.147 1.00 0.66 H new ATOM 0 HG3 GLU A 13 -18.253 0.061 -7.995 1.00 0.66 H new ATOM 221 N ILE A 14 -13.331 -1.030 -7.307 1.00 0.26 N ATOM 222 CA ILE A 14 -11.888 -0.908 -7.419 1.00 0.23 C ATOM 223 C ILE A 14 -11.425 -1.889 -8.485 1.00 0.24 C ATOM 224 O ILE A 14 -10.777 -1.494 -9.454 1.00 0.26 O ATOM 225 CB ILE A 14 -11.198 -1.102 -6.045 1.00 0.21 C ATOM 226 CG1 ILE A 14 -11.354 0.196 -5.230 1.00 0.22 C ATOM 227 CG2 ILE A 14 -9.693 -1.335 -6.233 1.00 0.24 C ATOM 228 CD1 ILE A 14 -10.721 0.099 -3.841 1.00 0.23 C ATOM 0 H ILE A 14 -13.640 -1.375 -6.398 1.00 0.26 H new ATOM 0 HA ILE A 14 -11.601 0.097 -7.728 1.00 0.23 H new ATOM 0 HB ILE A 14 -11.652 -1.956 -5.543 1.00 0.21 H new ATOM 0 HG12 ILE A 14 -10.897 1.021 -5.777 1.00 0.22 H new ATOM 0 HG13 ILE A 14 -12.413 0.430 -5.127 1.00 0.22 H new ATOM 0 HG21 ILE A 14 -9.221 -1.470 -5.260 1.00 0.24 H new ATOM 0 HG22 ILE A 14 -9.536 -2.227 -6.839 1.00 0.24 H new ATOM 0 HG23 ILE A 14 -9.251 -0.474 -6.734 1.00 0.24 H new ATOM 0 HD11 ILE A 14 -10.861 1.041 -3.311 1.00 0.23 H new ATOM 0 HD12 ILE A 14 -11.195 -0.706 -3.280 1.00 0.23 H new ATOM 0 HD13 ILE A 14 -9.655 -0.107 -3.940 1.00 0.23 H new ATOM 240 N ARG A 15 -11.772 -3.171 -8.340 1.00 0.25 N ATOM 241 CA ARG A 15 -11.390 -4.169 -9.329 1.00 0.30 C ATOM 242 C ARG A 15 -11.846 -3.724 -10.716 1.00 0.34 C ATOM 243 O ARG A 15 -11.051 -3.725 -11.657 1.00 0.40 O ATOM 244 CB ARG A 15 -11.985 -5.539 -8.999 1.00 0.40 C ATOM 245 CG ARG A 15 -11.205 -6.231 -7.879 1.00 0.95 C ATOM 246 CD ARG A 15 -11.641 -7.695 -7.767 1.00 0.81 C ATOM 247 NE ARG A 15 -11.255 -8.461 -8.963 1.00 1.01 N ATOM 248 CZ ARG A 15 -11.613 -9.723 -9.226 1.00 1.17 C ATOM 249 NH1 ARG A 15 -11.265 -10.280 -10.386 1.00 1.93 N ATOM 250 NH2 ARG A 15 -12.317 -10.418 -8.333 1.00 1.39 N ATOM 0 H ARG A 15 -12.311 -3.534 -7.554 1.00 0.25 H new ATOM 0 HA ARG A 15 -10.304 -4.262 -9.313 1.00 0.30 H new ATOM 0 HB2 ARG A 15 -13.027 -5.423 -8.701 1.00 0.40 H new ATOM 0 HB3 ARG A 15 -11.977 -6.165 -9.891 1.00 0.40 H new ATOM 0 HG2 ARG A 15 -10.135 -6.176 -8.081 1.00 0.95 H new ATOM 0 HG3 ARG A 15 -11.378 -5.718 -6.933 1.00 0.95 H new ATOM 0 HD2 ARG A 15 -11.189 -8.145 -6.883 1.00 0.81 H new ATOM 0 HD3 ARG A 15 -12.722 -7.746 -7.633 1.00 0.81 H new ATOM 0 HE ARG A 15 -10.665 -7.990 -9.649 1.00 1.01 H new ATOM 0 HH11 ARG A 15 -10.728 -9.744 -11.068 1.00 1.93 H new ATOM 0 HH12 ARG A 15 -11.535 -11.242 -10.591 1.00 1.93 H new ATOM 0 HH21 ARG A 15 -12.584 -9.988 -7.447 1.00 1.39 H new ATOM 0 HH22 ARG A 15 -12.589 -11.380 -8.535 1.00 1.39 H new ATOM 264 N LYS A 16 -13.125 -3.352 -10.831 1.00 0.33 N ATOM 265 CA LYS A 16 -13.729 -2.898 -12.080 1.00 0.40 C ATOM 266 C LYS A 16 -12.980 -1.692 -12.647 1.00 0.40 C ATOM 267 O LYS A 16 -12.888 -1.560 -13.863 1.00 0.45 O ATOM 268 CB LYS A 16 -15.214 -2.540 -11.879 1.00 0.50 C ATOM 269 CG LYS A 16 -16.189 -3.655 -12.279 1.00 0.72 C ATOM 270 CD LYS A 16 -16.127 -4.897 -11.388 1.00 0.99 C ATOM 271 CE LYS A 16 -17.275 -5.836 -11.779 1.00 1.20 C ATOM 272 NZ LYS A 16 -16.908 -7.260 -11.640 1.00 1.99 N ATOM 0 H LYS A 16 -13.776 -3.359 -10.046 1.00 0.33 H new ATOM 0 HA LYS A 16 -13.659 -3.720 -12.792 1.00 0.40 H new ATOM 0 HB2 LYS A 16 -15.377 -2.289 -10.831 1.00 0.50 H new ATOM 0 HB3 LYS A 16 -15.443 -1.647 -12.460 1.00 0.50 H new ATOM 0 HG2 LYS A 16 -17.204 -3.258 -12.259 1.00 0.72 H new ATOM 0 HG3 LYS A 16 -15.983 -3.950 -13.308 1.00 0.72 H new ATOM 0 HD2 LYS A 16 -15.168 -5.401 -11.508 1.00 0.99 H new ATOM 0 HD3 LYS A 16 -16.210 -4.614 -10.339 1.00 0.99 H new ATOM 0 HE2 LYS A 16 -18.143 -5.624 -11.155 1.00 1.20 H new ATOM 0 HE3 LYS A 16 -17.568 -5.638 -12.810 1.00 1.20 H new ATOM 0 HZ1 LYS A 16 -17.715 -7.855 -11.915 1.00 1.99 H new ATOM 0 HZ2 LYS A 16 -16.096 -7.471 -12.255 1.00 1.99 H new ATOM 0 HZ3 LYS A 16 -16.654 -7.458 -10.651 1.00 1.99 H new ATOM 286 N CYS A 17 -12.461 -0.812 -11.790 1.00 0.39 N ATOM 287 CA CYS A 17 -11.803 0.417 -12.202 1.00 0.43 C ATOM 288 C CYS A 17 -10.551 0.088 -13.006 1.00 0.41 C ATOM 289 O CYS A 17 -10.142 0.869 -13.862 1.00 0.57 O ATOM 290 CB CYS A 17 -11.439 1.256 -10.969 1.00 0.44 C ATOM 291 SG CYS A 17 -11.118 2.969 -11.470 1.00 0.80 S ATOM 0 H CYS A 17 -12.489 -0.939 -10.778 1.00 0.39 H new ATOM 0 HA CYS A 17 -12.483 0.994 -12.829 1.00 0.43 H new ATOM 0 HB2 CYS A 17 -12.252 1.225 -10.243 1.00 0.44 H new ATOM 0 HB3 CYS A 17 -10.559 0.839 -10.480 1.00 0.44 H new ATOM 0 HG CYS A 17 -10.812 3.677 -10.424 1.00 0.80 H new ATOM 297 N GLY A 18 -9.932 -1.058 -12.717 1.00 0.31 N ATOM 298 CA GLY A 18 -8.823 -1.573 -13.489 1.00 0.32 C ATOM 299 C GLY A 18 -7.746 -2.041 -12.535 1.00 0.27 C ATOM 300 O GLY A 18 -6.813 -1.296 -12.253 1.00 0.28 O ATOM 0 H GLY A 18 -10.196 -1.653 -11.932 1.00 0.31 H new ATOM 0 HA2 GLY A 18 -9.153 -2.398 -14.121 1.00 0.32 H new ATOM 0 HA3 GLY A 18 -8.432 -0.800 -14.151 1.00 0.32 H new ATOM 304 N MET A 19 -7.881 -3.272 -12.035 1.00 0.27 N ATOM 305 CA MET A 19 -6.916 -3.910 -11.147 1.00 0.24 C ATOM 306 C MET A 19 -5.558 -4.116 -11.825 1.00 0.26 C ATOM 307 O MET A 19 -5.247 -5.200 -12.316 1.00 0.32 O ATOM 308 CB MET A 19 -7.530 -5.206 -10.612 1.00 0.35 C ATOM 309 CG MET A 19 -7.814 -6.260 -11.690 1.00 0.73 C ATOM 310 SD MET A 19 -9.437 -7.060 -11.557 1.00 1.68 S ATOM 311 CE MET A 19 -10.135 -6.492 -13.133 1.00 2.98 C ATOM 0 H MET A 19 -8.685 -3.864 -12.244 1.00 0.27 H new ATOM 0 HA MET A 19 -6.704 -3.255 -10.302 1.00 0.24 H new ATOM 0 HB2 MET A 19 -6.857 -5.634 -9.870 1.00 0.35 H new ATOM 0 HB3 MET A 19 -8.461 -4.968 -10.098 1.00 0.35 H new ATOM 0 HG2 MET A 19 -7.735 -5.789 -12.670 1.00 0.73 H new ATOM 0 HG3 MET A 19 -7.041 -7.027 -11.642 1.00 0.73 H new ATOM 0 HE1 MET A 19 -11.208 -6.681 -13.145 1.00 2.98 H new ATOM 0 HE2 MET A 19 -9.954 -5.423 -13.247 1.00 2.98 H new ATOM 0 HE3 MET A 19 -9.663 -7.030 -13.955 1.00 2.98 H new ATOM 321 N LYS A 20 -4.776 -3.038 -11.903 1.00 0.25 N ATOM 322 CA LYS A 20 -3.481 -2.972 -12.562 1.00 0.27 C ATOM 323 C LYS A 20 -2.383 -2.833 -11.520 1.00 0.26 C ATOM 324 O LYS A 20 -1.769 -3.819 -11.127 1.00 0.37 O ATOM 325 CB LYS A 20 -3.523 -1.848 -13.612 1.00 0.29 C ATOM 326 CG LYS A 20 -3.252 -2.376 -15.021 1.00 1.14 C ATOM 327 CD LYS A 20 -3.893 -1.412 -16.018 1.00 1.61 C ATOM 328 CE LYS A 20 -3.182 -1.507 -17.371 1.00 1.85 C ATOM 329 NZ LYS A 20 -3.735 -0.548 -18.352 1.00 2.57 N ATOM 0 H LYS A 20 -5.046 -2.147 -11.487 1.00 0.25 H new ATOM 0 HA LYS A 20 -3.250 -3.890 -13.102 1.00 0.27 H new ATOM 0 HB2 LYS A 20 -4.499 -1.364 -13.587 1.00 0.29 H new ATOM 0 HB3 LYS A 20 -2.783 -1.088 -13.360 1.00 0.29 H new ATOM 0 HG2 LYS A 20 -2.179 -2.452 -15.200 1.00 1.14 H new ATOM 0 HG3 LYS A 20 -3.666 -3.377 -15.139 1.00 1.14 H new ATOM 0 HD2 LYS A 20 -4.950 -1.648 -16.136 1.00 1.61 H new ATOM 0 HD3 LYS A 20 -3.835 -0.392 -15.638 1.00 1.61 H new ATOM 0 HE2 LYS A 20 -2.117 -1.315 -17.236 1.00 1.85 H new ATOM 0 HE3 LYS A 20 -3.277 -2.521 -17.761 1.00 1.85 H new ATOM 0 HZ1 LYS A 20 -3.227 -0.643 -19.255 1.00 2.57 H new ATOM 0 HZ2 LYS A 20 -4.745 -0.746 -18.500 1.00 2.57 H new ATOM 0 HZ3 LYS A 20 -3.622 0.421 -17.992 1.00 2.57 H new ATOM 343 N ASN A 21 -2.190 -1.612 -11.007 1.00 0.27 N ATOM 344 CA ASN A 21 -1.226 -1.363 -9.940 1.00 0.26 C ATOM 345 C ASN A 21 -1.673 -2.030 -8.638 1.00 0.22 C ATOM 346 O ASN A 21 -0.921 -2.070 -7.672 1.00 0.27 O ATOM 347 CB ASN A 21 -1.029 0.137 -9.680 1.00 0.33 C ATOM 348 CG ASN A 21 0.018 0.794 -10.580 1.00 0.65 C ATOM 349 OD1 ASN A 21 1.048 1.271 -10.108 1.00 2.29 O ATOM 350 ND2 ASN A 21 -0.241 0.871 -11.875 1.00 1.26 N ATOM 0 H ASN A 21 -2.693 -0.781 -11.318 1.00 0.27 H new ATOM 0 HA ASN A 21 -0.279 -1.789 -10.272 1.00 0.26 H new ATOM 0 HB2 ASN A 21 -1.982 0.647 -9.818 1.00 0.33 H new ATOM 0 HB3 ASN A 21 -0.739 0.279 -8.639 1.00 0.33 H new ATOM 0 HD21 ASN A 21 0.419 1.332 -12.501 1.00 1.26 H new ATOM 0 HD22 ASN A 21 -1.101 0.469 -12.248 1.00 1.26 H new ATOM 357 N PHE A 22 -2.900 -2.542 -8.578 1.00 0.23 N ATOM 358 CA PHE A 22 -3.443 -3.241 -7.437 1.00 0.21 C ATOM 359 C PHE A 22 -4.097 -4.498 -7.993 1.00 0.26 C ATOM 360 O PHE A 22 -4.959 -4.410 -8.865 1.00 0.50 O ATOM 361 CB PHE A 22 -4.420 -2.320 -6.692 1.00 0.18 C ATOM 362 CG PHE A 22 -5.395 -1.570 -7.578 1.00 0.19 C ATOM 363 CD1 PHE A 22 -6.662 -2.110 -7.856 1.00 0.18 C ATOM 364 CD2 PHE A 22 -5.015 -0.345 -8.159 1.00 0.27 C ATOM 365 CE1 PHE A 22 -7.527 -1.440 -8.736 1.00 0.23 C ATOM 366 CE2 PHE A 22 -5.886 0.327 -9.032 1.00 0.32 C ATOM 367 CZ PHE A 22 -7.143 -0.223 -9.325 1.00 0.28 C ATOM 0 H PHE A 22 -3.559 -2.474 -9.354 1.00 0.23 H new ATOM 0 HA PHE A 22 -2.688 -3.523 -6.703 1.00 0.21 H new ATOM 0 HB2 PHE A 22 -4.987 -2.918 -5.978 1.00 0.18 H new ATOM 0 HB3 PHE A 22 -3.845 -1.595 -6.115 1.00 0.18 H new ATOM 0 HD1 PHE A 22 -6.969 -3.037 -7.395 1.00 0.18 H new ATOM 0 HD2 PHE A 22 -4.048 0.080 -7.932 1.00 0.27 H new ATOM 0 HE1 PHE A 22 -8.495 -1.863 -8.962 1.00 0.23 H new ATOM 0 HE2 PHE A 22 -5.589 1.265 -9.477 1.00 0.32 H new ATOM 0 HZ PHE A 22 -7.813 0.287 -10.001 1.00 0.28 H new ATOM 377 N ARG A 23 -3.666 -5.671 -7.531 1.00 0.19 N ATOM 378 CA ARG A 23 -4.242 -6.949 -7.923 1.00 0.24 C ATOM 379 C ARG A 23 -4.234 -7.862 -6.711 1.00 0.23 C ATOM 380 O ARG A 23 -3.882 -7.450 -5.612 1.00 0.22 O ATOM 381 CB ARG A 23 -3.453 -7.575 -9.095 1.00 0.37 C ATOM 382 CG ARG A 23 -4.058 -7.235 -10.464 1.00 0.99 C ATOM 383 CD ARG A 23 -4.261 -8.484 -11.335 1.00 1.40 C ATOM 384 NE ARG A 23 -5.308 -9.377 -10.803 1.00 2.97 N ATOM 385 CZ ARG A 23 -5.451 -10.676 -11.112 1.00 3.74 C ATOM 386 NH1 ARG A 23 -6.441 -11.391 -10.568 1.00 5.63 N ATOM 387 NH2 ARG A 23 -4.609 -11.264 -11.962 1.00 2.99 N ATOM 0 H ARG A 23 -2.897 -5.758 -6.866 1.00 0.19 H new ATOM 0 HA ARG A 23 -5.265 -6.804 -8.270 1.00 0.24 H new ATOM 0 HB2 ARG A 23 -2.421 -7.225 -9.061 1.00 0.37 H new ATOM 0 HB3 ARG A 23 -3.427 -8.658 -8.973 1.00 0.37 H new ATOM 0 HG2 ARG A 23 -5.015 -6.734 -10.322 1.00 0.99 H new ATOM 0 HG3 ARG A 23 -3.405 -6.534 -10.984 1.00 0.99 H new ATOM 0 HD2 ARG A 23 -4.528 -8.179 -12.347 1.00 1.40 H new ATOM 0 HD3 ARG A 23 -3.321 -9.032 -11.405 1.00 1.40 H new ATOM 0 HE ARG A 23 -5.978 -8.975 -10.147 1.00 2.97 H new ATOM 0 HH11 ARG A 23 -7.090 -10.950 -9.916 1.00 5.63 H new ATOM 0 HH12 ARG A 23 -6.547 -12.377 -10.805 1.00 5.63 H new ATOM 0 HH21 ARG A 23 -3.850 -10.727 -12.382 1.00 2.99 H new ATOM 0 HH22 ARG A 23 -4.723 -12.251 -12.192 1.00 2.99 H new ATOM 401 N ASN A 24 -4.673 -9.106 -6.901 1.00 0.26 N ATOM 402 CA ASN A 24 -4.893 -10.040 -5.811 1.00 0.26 C ATOM 403 C ASN A 24 -5.761 -9.393 -4.728 1.00 0.25 C ATOM 404 O ASN A 24 -5.605 -9.698 -3.558 1.00 0.30 O ATOM 405 CB ASN A 24 -3.538 -10.528 -5.273 1.00 0.29 C ATOM 406 CG ASN A 24 -3.639 -11.866 -4.557 1.00 0.52 C ATOM 407 OD1 ASN A 24 -3.820 -11.946 -3.351 1.00 2.26 O ATOM 408 ND2 ASN A 24 -3.534 -12.965 -5.290 1.00 1.74 N ATOM 0 H ASN A 24 -4.885 -9.490 -7.822 1.00 0.26 H new ATOM 0 HA ASN A 24 -5.437 -10.914 -6.169 1.00 0.26 H new ATOM 0 HB2 ASN A 24 -2.833 -10.615 -6.100 1.00 0.29 H new ATOM 0 HB3 ASN A 24 -3.134 -9.783 -4.587 1.00 0.29 H new ATOM 0 HD21 ASN A 24 -3.604 -13.882 -4.848 1.00 1.74 H new ATOM 0 HD22 ASN A 24 -3.383 -12.894 -6.296 1.00 1.74 H new ATOM 415 N ILE A 25 -6.672 -8.488 -5.101 1.00 0.22 N ATOM 416 CA ILE A 25 -7.615 -7.916 -4.154 1.00 0.22 C ATOM 417 C ILE A 25 -8.450 -9.087 -3.634 1.00 0.27 C ATOM 418 O ILE A 25 -9.116 -9.753 -4.428 1.00 0.33 O ATOM 419 CB ILE A 25 -8.454 -6.808 -4.847 1.00 0.21 C ATOM 420 CG1 ILE A 25 -7.862 -5.417 -4.548 1.00 0.22 C ATOM 421 CG2 ILE A 25 -9.919 -6.826 -4.408 1.00 0.32 C ATOM 422 CD1 ILE A 25 -8.684 -4.272 -5.129 1.00 0.24 C ATOM 0 H ILE A 25 -6.771 -8.140 -6.055 1.00 0.22 H new ATOM 0 HA ILE A 25 -7.129 -7.421 -3.313 1.00 0.22 H new ATOM 0 HB ILE A 25 -8.415 -7.013 -5.917 1.00 0.21 H new ATOM 0 HG12 ILE A 25 -7.784 -5.288 -3.468 1.00 0.22 H new ATOM 0 HG13 ILE A 25 -6.849 -5.367 -4.949 1.00 0.22 H new ATOM 0 HG21 ILE A 25 -10.462 -6.032 -4.921 1.00 0.32 H new ATOM 0 HG22 ILE A 25 -10.362 -7.790 -4.659 1.00 0.32 H new ATOM 0 HG23 ILE A 25 -9.978 -6.669 -3.331 1.00 0.32 H new ATOM 0 HD11 ILE A 25 -8.211 -3.322 -4.881 1.00 0.24 H new ATOM 0 HD12 ILE A 25 -8.740 -4.378 -6.212 1.00 0.24 H new ATOM 0 HD13 ILE A 25 -9.690 -4.297 -4.709 1.00 0.24 H new ATOM 434 N GLN A 26 -8.411 -9.348 -2.324 1.00 0.26 N ATOM 435 CA GLN A 26 -9.257 -10.345 -1.687 1.00 0.30 C ATOM 436 C GLN A 26 -9.829 -9.751 -0.406 1.00 0.31 C ATOM 437 O GLN A 26 -9.266 -8.810 0.160 1.00 0.32 O ATOM 438 CB GLN A 26 -8.514 -11.647 -1.376 1.00 0.34 C ATOM 439 CG GLN A 26 -7.507 -12.001 -2.470 1.00 0.34 C ATOM 440 CD GLN A 26 -7.228 -13.488 -2.583 1.00 0.54 C ATOM 441 OE1 GLN A 26 -8.020 -14.340 -2.201 1.00 1.42 O ATOM 442 NE2 GLN A 26 -6.098 -13.831 -3.172 1.00 1.08 N ATOM 0 H GLN A 26 -7.786 -8.867 -1.677 1.00 0.26 H new ATOM 0 HA GLN A 26 -10.053 -10.604 -2.385 1.00 0.30 H new ATOM 0 HB2 GLN A 26 -7.996 -11.551 -0.422 1.00 0.34 H new ATOM 0 HB3 GLN A 26 -9.233 -12.459 -1.267 1.00 0.34 H new ATOM 0 HG2 GLN A 26 -7.880 -11.636 -3.427 1.00 0.34 H new ATOM 0 HG3 GLN A 26 -6.571 -11.478 -2.273 1.00 0.34 H new ATOM 0 HE21 GLN A 26 -5.447 -13.111 -3.485 1.00 1.08 H new ATOM 0 HE22 GLN A 26 -5.875 -14.816 -3.314 1.00 1.08 H new ATOM 451 N VAL A 27 -10.941 -10.322 0.050 1.00 0.34 N ATOM 452 CA VAL A 27 -11.635 -9.927 1.257 1.00 0.35 C ATOM 453 C VAL A 27 -12.139 -11.223 1.887 1.00 0.40 C ATOM 454 O VAL A 27 -12.631 -12.091 1.167 1.00 0.53 O ATOM 455 CB VAL A 27 -12.728 -8.912 0.874 1.00 0.40 C ATOM 456 CG1 VAL A 27 -13.774 -9.460 -0.106 1.00 0.50 C ATOM 457 CG2 VAL A 27 -13.452 -8.372 2.100 1.00 0.62 C ATOM 0 H VAL A 27 -11.393 -11.098 -0.433 1.00 0.34 H new ATOM 0 HA VAL A 27 -11.017 -9.417 1.996 1.00 0.35 H new ATOM 0 HB VAL A 27 -12.186 -8.111 0.371 1.00 0.40 H new ATOM 0 HG11 VAL A 27 -14.508 -8.685 -0.326 1.00 0.50 H new ATOM 0 HG12 VAL A 27 -13.282 -9.766 -1.029 1.00 0.50 H new ATOM 0 HG13 VAL A 27 -14.276 -10.319 0.340 1.00 0.50 H new ATOM 0 HG21 VAL A 27 -14.215 -7.659 1.787 1.00 0.62 H new ATOM 0 HG22 VAL A 27 -13.923 -9.196 2.637 1.00 0.62 H new ATOM 0 HG23 VAL A 27 -12.737 -7.874 2.755 1.00 0.62 H new ATOM 467 N ASP A 28 -11.940 -11.410 3.192 1.00 0.38 N ATOM 468 CA ASP A 28 -12.331 -12.649 3.858 1.00 0.45 C ATOM 469 C ASP A 28 -13.835 -12.636 4.130 1.00 0.53 C ATOM 470 O ASP A 28 -14.454 -11.574 4.117 1.00 0.64 O ATOM 471 CB ASP A 28 -11.530 -12.804 5.148 1.00 0.54 C ATOM 472 CG ASP A 28 -11.786 -14.167 5.777 1.00 0.66 C ATOM 473 OD1 ASP A 28 -12.609 -14.219 6.717 1.00 1.13 O ATOM 474 OD2 ASP A 28 -11.206 -15.147 5.268 1.00 1.42 O ATOM 0 H ASP A 28 -11.511 -10.719 3.807 1.00 0.38 H new ATOM 0 HA ASP A 28 -12.115 -13.503 3.217 1.00 0.45 H new ATOM 0 HB2 ASP A 28 -10.467 -12.688 4.938 1.00 0.54 H new ATOM 0 HB3 ASP A 28 -11.804 -12.016 5.850 1.00 0.54 H new ATOM 479 N GLU A 29 -14.451 -13.795 4.369 1.00 0.60 N ATOM 480 CA GLU A 29 -15.881 -13.847 4.649 1.00 0.70 C ATOM 481 C GLU A 29 -16.178 -13.281 6.037 1.00 0.71 C ATOM 482 O GLU A 29 -17.096 -12.478 6.207 1.00 0.75 O ATOM 483 CB GLU A 29 -16.431 -15.274 4.479 1.00 0.84 C ATOM 484 CG GLU A 29 -15.686 -16.364 5.267 1.00 2.40 C ATOM 485 CD GLU A 29 -16.390 -17.714 5.128 1.00 2.93 C ATOM 486 OE1 GLU A 29 -17.479 -17.853 5.729 1.00 3.60 O ATOM 487 OE2 GLU A 29 -15.837 -18.587 4.423 1.00 3.42 O ATOM 0 H GLU A 29 -13.984 -14.702 4.374 1.00 0.60 H new ATOM 0 HA GLU A 29 -16.396 -13.221 3.921 1.00 0.70 H new ATOM 0 HB2 GLU A 29 -17.478 -15.281 4.783 1.00 0.84 H new ATOM 0 HB3 GLU A 29 -16.405 -15.532 3.420 1.00 0.84 H new ATOM 0 HG2 GLU A 29 -14.661 -16.445 4.904 1.00 2.40 H new ATOM 0 HG3 GLU A 29 -15.631 -16.085 6.319 1.00 2.40 H new ATOM 494 N ALA A 30 -15.408 -13.699 7.040 1.00 0.72 N ATOM 495 CA ALA A 30 -15.572 -13.241 8.407 1.00 0.79 C ATOM 496 C ALA A 30 -14.851 -11.911 8.550 1.00 0.69 C ATOM 497 O ALA A 30 -15.432 -10.907 8.960 1.00 0.75 O ATOM 498 CB ALA A 30 -14.999 -14.285 9.371 1.00 0.91 C ATOM 0 H ALA A 30 -14.649 -14.370 6.920 1.00 0.72 H new ATOM 0 HA ALA A 30 -16.627 -13.107 8.647 1.00 0.79 H new ATOM 0 HB1 ALA A 30 -15.123 -13.939 10.397 1.00 0.91 H new ATOM 0 HB2 ALA A 30 -15.527 -15.230 9.240 1.00 0.91 H new ATOM 0 HB3 ALA A 30 -13.939 -14.430 9.162 1.00 0.91 H new ATOM 504 N ASN A 31 -13.573 -11.890 8.180 1.00 0.58 N ATOM 505 CA ASN A 31 -12.729 -10.713 8.277 1.00 0.57 C ATOM 506 C ASN A 31 -12.878 -9.852 7.023 1.00 0.40 C ATOM 507 O ASN A 31 -11.904 -9.342 6.478 1.00 0.37 O ATOM 508 CB ASN A 31 -11.279 -11.167 8.539 1.00 0.65 C ATOM 509 CG ASN A 31 -10.536 -10.217 9.464 1.00 1.41 C ATOM 510 OD1 ASN A 31 -11.138 -9.531 10.282 1.00 2.02 O ATOM 511 ND2 ASN A 31 -9.213 -10.203 9.388 1.00 2.32 N ATOM 0 H ASN A 31 -13.092 -12.705 7.799 1.00 0.58 H new ATOM 0 HA ASN A 31 -13.033 -10.082 9.112 1.00 0.57 H new ATOM 0 HB2 ASN A 31 -11.287 -12.165 8.977 1.00 0.65 H new ATOM 0 HB3 ASN A 31 -10.746 -11.239 7.591 1.00 0.65 H new ATOM 0 HD21 ASN A 31 -8.672 -9.612 10.019 1.00 2.32 H new ATOM 0 HD22 ASN A 31 -8.736 -10.783 8.698 1.00 2.32 H new ATOM 518 N LEU A 32 -14.122 -9.660 6.581 1.00 0.40 N ATOM 519 CA LEU A 32 -14.480 -8.827 5.440 1.00 0.43 C ATOM 520 C LEU A 32 -14.078 -7.376 5.705 1.00 0.47 C ATOM 521 O LEU A 32 -13.731 -6.628 4.797 1.00 0.52 O ATOM 522 CB LEU A 32 -15.973 -9.048 5.112 1.00 0.78 C ATOM 523 CG LEU A 32 -16.864 -7.812 4.935 1.00 0.52 C ATOM 524 CD1 LEU A 32 -16.594 -7.046 3.634 1.00 0.49 C ATOM 525 CD2 LEU A 32 -18.318 -8.299 4.929 1.00 0.77 C ATOM 0 H LEU A 32 -14.931 -10.095 7.024 1.00 0.40 H new ATOM 0 HA LEU A 32 -13.928 -9.110 4.544 1.00 0.43 H new ATOM 0 HB2 LEU A 32 -16.030 -9.634 4.195 1.00 0.78 H new ATOM 0 HB3 LEU A 32 -16.402 -9.658 5.907 1.00 0.78 H new ATOM 0 HG LEU A 32 -16.652 -7.121 5.751 1.00 0.52 H new ATOM 0 HD11 LEU A 32 -17.259 -6.184 3.574 1.00 0.49 H new ATOM 0 HD12 LEU A 32 -15.558 -6.707 3.620 1.00 0.49 H new ATOM 0 HD13 LEU A 32 -16.773 -7.702 2.782 1.00 0.49 H new ATOM 0 HD21 LEU A 32 -18.987 -7.447 4.805 1.00 0.77 H new ATOM 0 HD22 LEU A 32 -18.464 -8.998 4.106 1.00 0.77 H new ATOM 0 HD23 LEU A 32 -18.538 -8.798 5.872 1.00 0.77 H new ATOM 537 N LEU A 33 -14.020 -6.987 6.977 1.00 0.50 N ATOM 538 CA LEU A 33 -13.431 -5.729 7.415 1.00 0.53 C ATOM 539 C LEU A 33 -11.900 -5.742 7.314 1.00 0.78 C ATOM 540 O LEU A 33 -11.211 -5.015 8.032 1.00 1.94 O ATOM 541 CB LEU A 33 -13.871 -5.499 8.863 1.00 0.48 C ATOM 542 CG LEU A 33 -15.374 -5.227 8.984 1.00 0.38 C ATOM 543 CD1 LEU A 33 -15.700 -5.165 10.468 1.00 0.43 C ATOM 544 CD2 LEU A 33 -15.806 -3.904 8.349 1.00 0.42 C ATOM 0 H LEU A 33 -14.388 -7.549 7.744 1.00 0.50 H new ATOM 0 HA LEU A 33 -13.773 -4.922 6.767 1.00 0.53 H new ATOM 0 HB2 LEU A 33 -13.614 -6.374 9.461 1.00 0.48 H new ATOM 0 HB3 LEU A 33 -13.318 -4.656 9.278 1.00 0.48 H new ATOM 0 HG LEU A 33 -15.903 -6.022 8.458 1.00 0.38 H new ATOM 0 HD11 LEU A 33 -16.765 -4.972 10.599 1.00 0.43 H new ATOM 0 HD12 LEU A 33 -15.443 -6.115 10.937 1.00 0.43 H new ATOM 0 HD13 LEU A 33 -15.126 -4.364 10.933 1.00 0.43 H new ATOM 0 HD21 LEU A 33 -16.882 -3.776 8.471 1.00 0.42 H new ATOM 0 HD22 LEU A 33 -15.285 -3.080 8.835 1.00 0.42 H new ATOM 0 HD23 LEU A 33 -15.560 -3.913 7.287 1.00 0.42 H new ATOM 556 N THR A 34 -11.310 -6.561 6.449 1.00 0.35 N ATOM 557 CA THR A 34 -9.884 -6.589 6.228 1.00 0.25 C ATOM 558 C THR A 34 -9.655 -6.936 4.763 1.00 0.27 C ATOM 559 O THR A 34 -10.391 -7.722 4.170 1.00 0.37 O ATOM 560 CB THR A 34 -9.224 -7.607 7.171 1.00 0.36 C ATOM 561 OG1 THR A 34 -9.620 -7.407 8.512 1.00 0.57 O ATOM 562 CG2 THR A 34 -7.715 -7.418 7.184 1.00 0.27 C ATOM 0 H THR A 34 -11.825 -7.231 5.877 1.00 0.35 H new ATOM 0 HA THR A 34 -9.431 -5.622 6.445 1.00 0.25 H new ATOM 0 HB THR A 34 -9.523 -8.590 6.807 1.00 0.36 H new ATOM 0 HG1 THR A 34 -8.898 -7.689 9.112 1.00 0.57 H new ATOM 0 HG21 THR A 34 -7.263 -8.147 7.857 1.00 0.27 H new ATOM 0 HG22 THR A 34 -7.322 -7.560 6.177 1.00 0.27 H new ATOM 0 HG23 THR A 34 -7.477 -6.411 7.527 1.00 0.27 H new ATOM 570 N TRP A 35 -8.650 -6.298 4.171 1.00 0.22 N ATOM 571 CA TRP A 35 -8.310 -6.470 2.771 1.00 0.23 C ATOM 572 C TRP A 35 -6.905 -7.030 2.717 1.00 0.19 C ATOM 573 O TRP A 35 -6.054 -6.665 3.528 1.00 0.21 O ATOM 574 CB TRP A 35 -8.322 -5.139 2.014 1.00 0.27 C ATOM 575 CG TRP A 35 -9.597 -4.357 1.988 1.00 0.29 C ATOM 576 CD1 TRP A 35 -10.409 -4.103 3.038 1.00 0.41 C ATOM 577 CD2 TRP A 35 -10.210 -3.693 0.846 1.00 0.25 C ATOM 578 NE1 TRP A 35 -11.513 -3.405 2.613 1.00 0.43 N ATOM 579 CE2 TRP A 35 -11.448 -3.123 1.264 1.00 0.31 C ATOM 580 CE3 TRP A 35 -9.840 -3.516 -0.505 1.00 0.23 C ATOM 581 CZ2 TRP A 35 -12.291 -2.441 0.376 1.00 0.26 C ATOM 582 CZ3 TRP A 35 -10.681 -2.839 -1.405 1.00 0.24 C ATOM 583 CH2 TRP A 35 -11.912 -2.320 -0.969 1.00 0.20 C ATOM 0 H TRP A 35 -8.044 -5.640 4.660 1.00 0.22 H new ATOM 0 HA TRP A 35 -9.043 -7.130 2.307 1.00 0.23 H new ATOM 0 HB2 TRP A 35 -7.549 -4.503 2.445 1.00 0.27 H new ATOM 0 HB3 TRP A 35 -8.032 -5.339 0.983 1.00 0.27 H new ATOM 0 HD1 TRP A 35 -10.219 -4.404 4.058 1.00 0.41 H new ATOM 0 HE1 TRP A 35 -12.285 -3.129 3.220 1.00 0.43 H new ATOM 0 HE3 TRP A 35 -8.895 -3.907 -0.853 1.00 0.23 H new ATOM 0 HZ2 TRP A 35 -13.220 -2.014 0.723 1.00 0.26 H new ATOM 0 HZ3 TRP A 35 -10.380 -2.717 -2.435 1.00 0.24 H new ATOM 0 HH2 TRP A 35 -12.568 -1.827 -1.671 1.00 0.20 H new ATOM 594 N GLN A 36 -6.637 -7.880 1.739 1.00 0.18 N ATOM 595 CA GLN A 36 -5.322 -8.458 1.586 1.00 0.23 C ATOM 596 C GLN A 36 -5.113 -8.701 0.107 1.00 0.40 C ATOM 597 O GLN A 36 -6.036 -9.134 -0.578 1.00 0.56 O ATOM 598 CB GLN A 36 -5.211 -9.724 2.446 1.00 0.41 C ATOM 599 CG GLN A 36 -6.392 -10.694 2.287 1.00 0.59 C ATOM 600 CD GLN A 36 -6.350 -11.763 3.369 1.00 1.34 C ATOM 601 OE1 GLN A 36 -7.005 -11.646 4.396 1.00 3.02 O ATOM 602 NE2 GLN A 36 -5.561 -12.812 3.177 1.00 1.97 N ATOM 0 H GLN A 36 -7.317 -8.182 1.041 1.00 0.18 H new ATOM 0 HA GLN A 36 -4.531 -7.796 1.938 1.00 0.23 H new ATOM 0 HB2 GLN A 36 -4.289 -10.245 2.189 1.00 0.41 H new ATOM 0 HB3 GLN A 36 -5.132 -9.433 3.494 1.00 0.41 H new ATOM 0 HG2 GLN A 36 -7.332 -10.145 2.345 1.00 0.59 H new ATOM 0 HG3 GLN A 36 -6.357 -11.162 1.303 1.00 0.59 H new ATOM 0 HE21 GLN A 36 -5.022 -12.894 2.315 1.00 1.97 H new ATOM 0 HE22 GLN A 36 -5.493 -13.537 3.891 1.00 1.97 H new ATOM 611 N GLY A 37 -3.925 -8.365 -0.385 1.00 0.39 N ATOM 612 CA GLY A 37 -3.615 -8.510 -1.792 1.00 0.41 C ATOM 613 C GLY A 37 -2.218 -7.989 -2.064 1.00 0.36 C ATOM 614 O GLY A 37 -1.378 -7.965 -1.163 1.00 0.43 O ATOM 0 H GLY A 37 -3.162 -7.989 0.178 1.00 0.39 H new ATOM 0 HA2 GLY A 37 -3.686 -9.558 -2.084 1.00 0.41 H new ATOM 0 HA3 GLY A 37 -4.341 -7.962 -2.393 1.00 0.41 H new ATOM 618 N LEU A 38 -1.956 -7.549 -3.291 1.00 0.25 N ATOM 619 CA LEU A 38 -0.687 -6.938 -3.630 1.00 0.22 C ATOM 620 C LEU A 38 -0.924 -5.683 -4.447 1.00 0.23 C ATOM 621 O LEU A 38 -1.999 -5.461 -5.005 1.00 0.28 O ATOM 622 CB LEU A 38 0.270 -7.946 -4.302 1.00 0.22 C ATOM 623 CG LEU A 38 -0.211 -8.600 -5.611 1.00 0.26 C ATOM 624 CD1 LEU A 38 -0.201 -7.650 -6.811 1.00 0.40 C ATOM 625 CD2 LEU A 38 0.707 -9.776 -5.959 1.00 0.25 C ATOM 0 H LEU A 38 -2.614 -7.608 -4.068 1.00 0.25 H new ATOM 0 HA LEU A 38 -0.178 -6.633 -2.716 1.00 0.22 H new ATOM 0 HB2 LEU A 38 1.212 -7.436 -4.504 1.00 0.22 H new ATOM 0 HB3 LEU A 38 0.484 -8.739 -3.586 1.00 0.22 H new ATOM 0 HG LEU A 38 -1.240 -8.911 -5.430 1.00 0.26 H new ATOM 0 HD11 LEU A 38 -0.552 -8.179 -7.697 1.00 0.40 H new ATOM 0 HD12 LEU A 38 -0.858 -6.803 -6.610 1.00 0.40 H new ATOM 0 HD13 LEU A 38 0.814 -7.290 -6.981 1.00 0.40 H new ATOM 0 HD21 LEU A 38 0.368 -10.240 -6.885 1.00 0.25 H new ATOM 0 HD22 LEU A 38 1.728 -9.416 -6.086 1.00 0.25 H new ATOM 0 HD23 LEU A 38 0.679 -10.510 -5.154 1.00 0.25 H new ATOM 637 N ILE A 39 0.109 -4.865 -4.531 1.00 0.21 N ATOM 638 CA ILE A 39 0.156 -3.718 -5.395 1.00 0.21 C ATOM 639 C ILE A 39 1.356 -3.977 -6.290 1.00 0.29 C ATOM 640 O ILE A 39 2.457 -4.241 -5.804 1.00 0.34 O ATOM 641 CB ILE A 39 0.165 -2.408 -4.580 1.00 0.19 C ATOM 642 CG1 ILE A 39 1.203 -2.419 -3.441 1.00 0.19 C ATOM 643 CG2 ILE A 39 -1.238 -2.212 -3.986 1.00 0.18 C ATOM 644 CD1 ILE A 39 1.172 -1.160 -2.573 1.00 0.21 C ATOM 0 H ILE A 39 0.959 -4.991 -3.981 1.00 0.21 H new ATOM 0 HA ILE A 39 -0.726 -3.580 -6.020 1.00 0.21 H new ATOM 0 HB ILE A 39 0.440 -1.592 -5.249 1.00 0.19 H new ATOM 0 HG12 ILE A 39 1.028 -3.290 -2.810 1.00 0.19 H new ATOM 0 HG13 ILE A 39 2.199 -2.531 -3.869 1.00 0.19 H new ATOM 0 HG21 ILE A 39 -1.261 -1.291 -3.403 1.00 0.18 H new ATOM 0 HG22 ILE A 39 -1.969 -2.150 -4.792 1.00 0.18 H new ATOM 0 HG23 ILE A 39 -1.481 -3.056 -3.340 1.00 0.18 H new ATOM 0 HD11 ILE A 39 1.929 -1.238 -1.792 1.00 0.21 H new ATOM 0 HD12 ILE A 39 1.377 -0.286 -3.192 1.00 0.21 H new ATOM 0 HD13 ILE A 39 0.188 -1.058 -2.115 1.00 0.21 H new ATOM 656 N VAL A 40 1.099 -4.044 -7.595 1.00 0.37 N ATOM 657 CA VAL A 40 2.110 -4.178 -8.621 1.00 0.40 C ATOM 658 C VAL A 40 2.623 -2.761 -8.848 1.00 0.44 C ATOM 659 O VAL A 40 1.852 -1.911 -9.288 1.00 0.50 O ATOM 660 CB VAL A 40 1.485 -4.749 -9.908 1.00 0.34 C ATOM 661 CG1 VAL A 40 2.582 -5.111 -10.911 1.00 0.35 C ATOM 662 CG2 VAL A 40 0.664 -6.016 -9.638 1.00 0.38 C ATOM 0 H VAL A 40 0.151 -4.005 -7.970 1.00 0.37 H new ATOM 0 HA VAL A 40 2.912 -4.858 -8.334 1.00 0.40 H new ATOM 0 HB VAL A 40 0.828 -3.975 -10.306 1.00 0.34 H new ATOM 0 HG11 VAL A 40 2.128 -5.514 -11.817 1.00 0.35 H new ATOM 0 HG12 VAL A 40 3.157 -4.219 -11.159 1.00 0.35 H new ATOM 0 HG13 VAL A 40 3.243 -5.859 -10.473 1.00 0.35 H new ATOM 0 HG21 VAL A 40 0.243 -6.383 -10.574 1.00 0.38 H new ATOM 0 HG22 VAL A 40 1.308 -6.782 -9.205 1.00 0.38 H new ATOM 0 HG23 VAL A 40 -0.143 -5.785 -8.943 1.00 0.38 H new ATOM 672 N PRO A 41 3.875 -2.455 -8.499 1.00 0.53 N ATOM 673 CA PRO A 41 4.415 -1.148 -8.790 1.00 0.57 C ATOM 674 C PRO A 41 4.614 -0.962 -10.296 1.00 0.45 C ATOM 675 O PRO A 41 4.514 -1.909 -11.071 1.00 0.44 O ATOM 676 CB PRO A 41 5.743 -1.067 -8.045 1.00 0.78 C ATOM 677 CG PRO A 41 6.053 -2.473 -7.522 1.00 0.74 C ATOM 678 CD PRO A 41 4.837 -3.331 -7.859 1.00 0.66 C ATOM 0 HA PRO A 41 3.736 -0.357 -8.472 1.00 0.57 H new ATOM 0 HB2 PRO A 41 6.536 -0.719 -8.707 1.00 0.78 H new ATOM 0 HB3 PRO A 41 5.680 -0.355 -7.222 1.00 0.78 H new ATOM 0 HG2 PRO A 41 6.953 -2.873 -7.990 1.00 0.74 H new ATOM 0 HG3 PRO A 41 6.233 -2.458 -6.447 1.00 0.74 H new ATOM 0 HD2 PRO A 41 5.114 -4.152 -8.521 1.00 0.66 H new ATOM 0 HD3 PRO A 41 4.416 -3.776 -6.958 1.00 0.66 H new ATOM 686 N ASP A 42 4.974 0.262 -10.678 1.00 0.48 N ATOM 687 CA ASP A 42 5.358 0.640 -12.033 1.00 0.51 C ATOM 688 C ASP A 42 6.788 1.176 -11.993 1.00 0.48 C ATOM 689 O ASP A 42 7.656 0.701 -12.719 1.00 0.52 O ATOM 690 CB ASP A 42 4.400 1.709 -12.588 1.00 0.68 C ATOM 691 CG ASP A 42 3.371 1.139 -13.564 1.00 0.73 C ATOM 692 OD1 ASP A 42 3.808 0.513 -14.552 1.00 1.33 O ATOM 693 OD2 ASP A 42 2.163 1.384 -13.344 1.00 1.45 O ATOM 0 H ASP A 42 5.007 1.046 -10.026 1.00 0.48 H new ATOM 0 HA ASP A 42 5.303 -0.228 -12.690 1.00 0.51 H new ATOM 0 HB2 ASP A 42 3.880 2.188 -11.759 1.00 0.68 H new ATOM 0 HB3 ASP A 42 4.980 2.483 -13.091 1.00 0.68 H new ATOM 698 N ASN A 43 7.032 2.187 -11.150 1.00 0.46 N ATOM 699 CA ASN A 43 8.329 2.851 -11.056 1.00 0.46 C ATOM 700 C ASN A 43 9.411 1.912 -10.511 1.00 0.44 C ATOM 701 O ASN A 43 10.412 1.692 -11.191 1.00 0.50 O ATOM 702 CB ASN A 43 8.232 4.149 -10.233 1.00 0.44 C ATOM 703 CG ASN A 43 8.441 5.381 -11.098 1.00 0.59 C ATOM 704 OD1 ASN A 43 9.558 5.860 -11.251 1.00 0.61 O ATOM 705 ND2 ASN A 43 7.379 5.905 -11.696 1.00 0.82 N ATOM 0 H ASN A 43 6.330 2.565 -10.514 1.00 0.46 H new ATOM 0 HA ASN A 43 8.629 3.126 -12.067 1.00 0.46 H new ATOM 0 HB2 ASN A 43 7.255 4.203 -9.753 1.00 0.44 H new ATOM 0 HB3 ASN A 43 8.977 4.132 -9.438 1.00 0.44 H new ATOM 0 HD21 ASN A 43 7.484 6.723 -12.297 1.00 0.82 H new ATOM 0 HD22 ASN A 43 6.458 5.490 -11.555 1.00 0.82 H new ATOM 712 N PRO A 44 9.293 1.388 -9.278 1.00 0.37 N ATOM 713 CA PRO A 44 10.284 0.460 -8.768 1.00 0.36 C ATOM 714 C PRO A 44 10.141 -0.899 -9.470 1.00 0.38 C ATOM 715 O PRO A 44 9.102 -1.188 -10.060 1.00 0.41 O ATOM 716 CB PRO A 44 10.046 0.395 -7.257 1.00 0.29 C ATOM 717 CG PRO A 44 8.565 0.705 -7.119 1.00 0.24 C ATOM 718 CD PRO A 44 8.265 1.646 -8.287 1.00 0.30 C ATOM 0 HA PRO A 44 11.309 0.776 -8.964 1.00 0.36 H new ATOM 0 HB2 PRO A 44 10.290 -0.588 -6.854 1.00 0.29 H new ATOM 0 HB3 PRO A 44 10.660 1.120 -6.722 1.00 0.29 H new ATOM 0 HG2 PRO A 44 7.962 -0.201 -7.174 1.00 0.24 H new ATOM 0 HG3 PRO A 44 8.345 1.177 -6.161 1.00 0.24 H new ATOM 0 HD2 PRO A 44 7.272 1.458 -8.696 1.00 0.30 H new ATOM 0 HD3 PRO A 44 8.285 2.687 -7.965 1.00 0.30 H new ATOM 726 N PRO A 45 11.193 -1.729 -9.401 1.00 0.37 N ATOM 727 CA PRO A 45 11.428 -2.925 -10.215 1.00 0.35 C ATOM 728 C PRO A 45 10.411 -4.069 -10.027 1.00 0.46 C ATOM 729 O PRO A 45 10.741 -5.140 -9.520 1.00 0.85 O ATOM 730 CB PRO A 45 12.877 -3.339 -9.923 1.00 0.36 C ATOM 731 CG PRO A 45 13.180 -2.666 -8.595 1.00 0.34 C ATOM 732 CD PRO A 45 12.401 -1.375 -8.694 1.00 0.37 C ATOM 0 HA PRO A 45 11.277 -2.688 -11.268 1.00 0.35 H new ATOM 0 HB2 PRO A 45 12.979 -4.422 -9.856 1.00 0.36 H new ATOM 0 HB3 PRO A 45 13.556 -3.003 -10.707 1.00 0.36 H new ATOM 0 HG2 PRO A 45 12.854 -3.272 -7.750 1.00 0.34 H new ATOM 0 HG3 PRO A 45 14.247 -2.486 -8.466 1.00 0.34 H new ATOM 0 HD2 PRO A 45 12.178 -0.970 -7.707 1.00 0.37 H new ATOM 0 HD3 PRO A 45 12.965 -0.612 -9.231 1.00 0.37 H new ATOM 740 N TYR A 46 9.181 -3.887 -10.514 1.00 0.35 N ATOM 741 CA TYR A 46 8.094 -4.854 -10.387 1.00 0.41 C ATOM 742 C TYR A 46 8.320 -6.111 -11.231 1.00 0.46 C ATOM 743 O TYR A 46 7.637 -7.116 -11.057 1.00 0.80 O ATOM 744 CB TYR A 46 6.767 -4.198 -10.782 1.00 0.50 C ATOM 745 CG TYR A 46 6.609 -3.996 -12.274 1.00 0.54 C ATOM 746 CD1 TYR A 46 7.112 -2.836 -12.894 1.00 1.80 C ATOM 747 CD2 TYR A 46 5.995 -5.000 -13.045 1.00 2.41 C ATOM 748 CE1 TYR A 46 7.030 -2.697 -14.290 1.00 1.94 C ATOM 749 CE2 TYR A 46 5.907 -4.865 -14.439 1.00 2.51 C ATOM 750 CZ TYR A 46 6.436 -3.719 -15.069 1.00 1.12 C ATOM 751 OH TYR A 46 6.378 -3.615 -16.426 1.00 1.48 O ATOM 0 H TYR A 46 8.910 -3.043 -11.019 1.00 0.35 H new ATOM 0 HA TYR A 46 8.064 -5.167 -9.343 1.00 0.41 H new ATOM 0 HB2 TYR A 46 5.945 -4.814 -10.419 1.00 0.50 H new ATOM 0 HB3 TYR A 46 6.686 -3.232 -10.283 1.00 0.50 H new ATOM 0 HD1 TYR A 46 7.560 -2.055 -12.298 1.00 1.80 H new ATOM 0 HD2 TYR A 46 5.590 -5.877 -12.562 1.00 2.41 H new ATOM 0 HE1 TYR A 46 7.420 -1.811 -14.768 1.00 1.94 H new ATOM 0 HE2 TYR A 46 5.435 -5.637 -15.029 1.00 2.51 H new ATOM 0 HH TYR A 46 5.938 -4.408 -16.796 1.00 1.48 H new ATOM 761 N ASP A 47 9.272 -6.089 -12.163 1.00 0.38 N ATOM 762 CA ASP A 47 9.569 -7.273 -12.964 1.00 0.39 C ATOM 763 C ASP A 47 9.926 -8.443 -12.042 1.00 0.38 C ATOM 764 O ASP A 47 9.528 -9.586 -12.266 1.00 0.57 O ATOM 765 CB ASP A 47 10.700 -6.973 -13.958 1.00 0.41 C ATOM 766 CG ASP A 47 10.259 -7.287 -15.385 1.00 1.46 C ATOM 767 OD1 ASP A 47 10.347 -6.364 -16.222 1.00 2.17 O ATOM 768 OD2 ASP A 47 9.840 -8.444 -15.604 1.00 2.95 O ATOM 0 H ASP A 47 9.845 -5.273 -12.380 1.00 0.38 H new ATOM 0 HA ASP A 47 8.688 -7.552 -13.542 1.00 0.39 H new ATOM 0 HB2 ASP A 47 10.988 -5.925 -13.883 1.00 0.41 H new ATOM 0 HB3 ASP A 47 11.580 -7.564 -13.705 1.00 0.41 H new ATOM 773 N LYS A 48 10.662 -8.142 -10.965 1.00 0.27 N ATOM 774 CA LYS A 48 11.114 -9.145 -10.013 1.00 0.28 C ATOM 775 C LYS A 48 9.981 -9.660 -9.119 1.00 0.25 C ATOM 776 O LYS A 48 10.161 -10.704 -8.495 1.00 0.30 O ATOM 777 CB LYS A 48 12.317 -8.592 -9.205 1.00 0.42 C ATOM 778 CG LYS A 48 13.523 -8.233 -10.074 1.00 0.70 C ATOM 779 CD LYS A 48 13.890 -9.418 -10.958 1.00 1.86 C ATOM 780 CE LYS A 48 15.238 -9.211 -11.660 1.00 1.83 C ATOM 781 NZ LYS A 48 16.382 -9.289 -10.725 1.00 3.05 N ATOM 0 H LYS A 48 10.957 -7.193 -10.735 1.00 0.27 H new ATOM 0 HA LYS A 48 11.452 -10.020 -10.568 1.00 0.28 H new ATOM 0 HB2 LYS A 48 11.999 -7.706 -8.655 1.00 0.42 H new ATOM 0 HB3 LYS A 48 12.620 -9.334 -8.466 1.00 0.42 H new ATOM 0 HG2 LYS A 48 13.293 -7.364 -10.691 1.00 0.70 H new ATOM 0 HG3 LYS A 48 14.370 -7.961 -9.444 1.00 0.70 H new ATOM 0 HD2 LYS A 48 13.931 -10.324 -10.353 1.00 1.86 H new ATOM 0 HD3 LYS A 48 13.111 -9.569 -11.705 1.00 1.86 H new ATOM 0 HE2 LYS A 48 15.358 -9.964 -12.439 1.00 1.83 H new ATOM 0 HE3 LYS A 48 15.242 -8.239 -12.153 1.00 1.83 H new ATOM 0 HZ1 LYS A 48 17.271 -9.313 -11.265 1.00 3.05 H new ATOM 0 HZ2 LYS A 48 16.378 -8.457 -10.101 1.00 3.05 H new ATOM 0 HZ3 LYS A 48 16.303 -10.152 -10.151 1.00 3.05 H new ATOM 795 N GLY A 49 8.857 -8.949 -8.980 1.00 0.29 N ATOM 796 CA GLY A 49 7.876 -9.244 -7.941 1.00 0.31 C ATOM 797 C GLY A 49 6.991 -8.030 -7.644 1.00 0.35 C ATOM 798 O GLY A 49 6.856 -7.137 -8.471 1.00 0.48 O ATOM 0 H GLY A 49 8.607 -8.162 -9.579 1.00 0.29 H new ATOM 0 HA2 GLY A 49 7.253 -10.082 -8.255 1.00 0.31 H new ATOM 0 HA3 GLY A 49 8.390 -9.552 -7.031 1.00 0.31 H new ATOM 802 N ALA A 50 6.366 -7.978 -6.471 1.00 0.29 N ATOM 803 CA ALA A 50 5.363 -6.983 -6.122 1.00 0.37 C ATOM 804 C ALA A 50 5.498 -6.629 -4.645 1.00 0.24 C ATOM 805 O ALA A 50 6.441 -7.049 -3.973 1.00 0.22 O ATOM 806 CB ALA A 50 3.962 -7.553 -6.392 1.00 0.57 C ATOM 0 H ALA A 50 6.549 -8.644 -5.720 1.00 0.29 H new ATOM 0 HA ALA A 50 5.509 -6.087 -6.725 1.00 0.37 H new ATOM 0 HB1 ALA A 50 3.210 -6.809 -6.131 1.00 0.57 H new ATOM 0 HB2 ALA A 50 3.870 -7.807 -7.448 1.00 0.57 H new ATOM 0 HB3 ALA A 50 3.811 -8.448 -5.789 1.00 0.57 H new ATOM 812 N PHE A 51 4.511 -5.909 -4.121 1.00 0.29 N ATOM 813 CA PHE A 51 4.427 -5.539 -2.722 1.00 0.32 C ATOM 814 C PHE A 51 3.148 -6.149 -2.170 1.00 0.24 C ATOM 815 O PHE A 51 2.065 -5.747 -2.581 1.00 0.31 O ATOM 816 CB PHE A 51 4.400 -4.005 -2.636 1.00 0.60 C ATOM 817 CG PHE A 51 5.720 -3.405 -2.226 1.00 0.76 C ATOM 818 CD1 PHE A 51 6.389 -2.461 -3.024 1.00 1.52 C ATOM 819 CD2 PHE A 51 6.277 -3.800 -1.009 1.00 2.23 C ATOM 820 CE1 PHE A 51 7.594 -1.889 -2.584 1.00 1.80 C ATOM 821 CE2 PHE A 51 7.476 -3.231 -0.569 1.00 2.99 C ATOM 822 CZ PHE A 51 8.135 -2.266 -1.344 1.00 2.36 C ATOM 0 H PHE A 51 3.730 -5.560 -4.676 1.00 0.29 H new ATOM 0 HA PHE A 51 5.276 -5.902 -2.143 1.00 0.32 H new ATOM 0 HB2 PHE A 51 4.110 -3.599 -3.605 1.00 0.60 H new ATOM 0 HB3 PHE A 51 3.634 -3.702 -1.922 1.00 0.60 H new ATOM 0 HD1 PHE A 51 5.975 -2.174 -3.979 1.00 1.52 H new ATOM 0 HD2 PHE A 51 5.781 -4.546 -0.406 1.00 2.23 H new ATOM 0 HE1 PHE A 51 8.103 -1.161 -3.198 1.00 1.80 H new ATOM 0 HE2 PHE A 51 7.898 -3.538 0.376 1.00 2.99 H new ATOM 0 HZ PHE A 51 9.051 -1.816 -0.990 1.00 2.36 H new ATOM 832 N ARG A 52 3.233 -7.127 -1.262 1.00 0.24 N ATOM 833 CA ARG A 52 2.008 -7.663 -0.674 1.00 0.24 C ATOM 834 C ARG A 52 1.658 -6.788 0.510 1.00 0.23 C ATOM 835 O ARG A 52 2.530 -6.542 1.347 1.00 0.25 O ATOM 836 CB ARG A 52 2.173 -9.124 -0.246 1.00 0.32 C ATOM 837 CG ARG A 52 0.828 -9.856 -0.362 1.00 0.69 C ATOM 838 CD ARG A 52 0.940 -11.345 -0.023 1.00 0.78 C ATOM 839 NE ARG A 52 0.662 -11.605 1.396 1.00 1.59 N ATOM 840 CZ ARG A 52 0.992 -12.723 2.053 1.00 2.52 C ATOM 841 NH1 ARG A 52 0.639 -12.870 3.332 1.00 3.67 N ATOM 842 NH2 ARG A 52 1.668 -13.691 1.433 1.00 2.59 N ATOM 0 H ARG A 52 4.101 -7.548 -0.931 1.00 0.24 H new ATOM 0 HA ARG A 52 1.207 -7.653 -1.413 1.00 0.24 H new ATOM 0 HB2 ARG A 52 2.919 -9.614 -0.872 1.00 0.32 H new ATOM 0 HB3 ARG A 52 2.537 -9.173 0.780 1.00 0.32 H new ATOM 0 HG2 ARG A 52 0.105 -9.388 0.306 1.00 0.69 H new ATOM 0 HG3 ARG A 52 0.444 -9.745 -1.376 1.00 0.69 H new ATOM 0 HD2 ARG A 52 0.242 -11.911 -0.640 1.00 0.78 H new ATOM 0 HD3 ARG A 52 1.941 -11.699 -0.268 1.00 0.78 H new ATOM 0 HE ARG A 52 0.180 -10.876 1.922 1.00 1.59 H new ATOM 0 HH11 ARG A 52 0.119 -12.131 3.806 1.00 3.67 H new ATOM 0 HH12 ARG A 52 0.889 -13.721 3.835 1.00 3.67 H new ATOM 0 HH21 ARG A 52 1.935 -13.580 0.455 1.00 2.59 H new ATOM 0 HH22 ARG A 52 1.918 -14.542 1.937 1.00 2.59 H new ATOM 856 N ILE A 53 0.412 -6.328 0.603 1.00 0.20 N ATOM 857 CA ILE A 53 -0.005 -5.451 1.680 1.00 0.18 C ATOM 858 C ILE A 53 -1.350 -5.913 2.224 1.00 0.17 C ATOM 859 O ILE A 53 -2.104 -6.619 1.554 1.00 0.22 O ATOM 860 CB ILE A 53 0.009 -3.971 1.242 1.00 0.18 C ATOM 861 CG1 ILE A 53 -1.061 -3.582 0.205 1.00 0.16 C ATOM 862 CG2 ILE A 53 1.396 -3.620 0.678 1.00 0.21 C ATOM 863 CD1 ILE A 53 -1.331 -2.076 0.262 1.00 0.19 C ATOM 0 H ILE A 53 -0.327 -6.554 -0.063 1.00 0.20 H new ATOM 0 HA ILE A 53 0.712 -5.513 2.498 1.00 0.18 H new ATOM 0 HB ILE A 53 -0.227 -3.402 2.142 1.00 0.18 H new ATOM 0 HG12 ILE A 53 -0.728 -3.861 -0.794 1.00 0.16 H new ATOM 0 HG13 ILE A 53 -1.982 -4.131 0.399 1.00 0.16 H new ATOM 0 HG21 ILE A 53 1.409 -2.575 0.368 1.00 0.21 H new ATOM 0 HG22 ILE A 53 2.152 -3.780 1.446 1.00 0.21 H new ATOM 0 HG23 ILE A 53 1.611 -4.256 -0.181 1.00 0.21 H new ATOM 0 HD11 ILE A 53 -2.089 -1.814 -0.476 1.00 0.19 H new ATOM 0 HD12 ILE A 53 -1.685 -1.807 1.257 1.00 0.19 H new ATOM 0 HD13 ILE A 53 -0.411 -1.533 0.045 1.00 0.19 H new ATOM 875 N GLU A 54 -1.626 -5.522 3.463 1.00 0.17 N ATOM 876 CA GLU A 54 -2.813 -5.906 4.195 1.00 0.20 C ATOM 877 C GLU A 54 -3.339 -4.629 4.832 1.00 0.22 C ATOM 878 O GLU A 54 -2.583 -3.922 5.499 1.00 0.28 O ATOM 879 CB GLU A 54 -2.399 -6.946 5.238 1.00 0.24 C ATOM 880 CG GLU A 54 -3.552 -7.432 6.123 1.00 0.37 C ATOM 881 CD GLU A 54 -2.974 -8.106 7.366 1.00 0.74 C ATOM 882 OE1 GLU A 54 -2.059 -8.946 7.200 1.00 1.04 O ATOM 883 OE2 GLU A 54 -3.335 -7.679 8.483 1.00 1.72 O ATOM 0 H GLU A 54 -1.007 -4.911 3.996 1.00 0.17 H new ATOM 0 HA GLU A 54 -3.591 -6.350 3.574 1.00 0.20 H new ATOM 0 HB2 GLU A 54 -1.960 -7.803 4.727 1.00 0.24 H new ATOM 0 HB3 GLU A 54 -1.622 -6.520 5.872 1.00 0.24 H new ATOM 0 HG2 GLU A 54 -4.186 -6.593 6.410 1.00 0.37 H new ATOM 0 HG3 GLU A 54 -4.180 -8.132 5.572 1.00 0.37 H new ATOM 890 N ILE A 55 -4.606 -4.310 4.586 1.00 0.22 N ATOM 891 CA ILE A 55 -5.284 -3.131 5.103 1.00 0.24 C ATOM 892 C ILE A 55 -6.267 -3.661 6.133 1.00 0.39 C ATOM 893 O ILE A 55 -6.920 -4.670 5.888 1.00 0.83 O ATOM 894 CB ILE A 55 -6.058 -2.410 3.980 1.00 0.31 C ATOM 895 CG1 ILE A 55 -5.222 -2.249 2.697 1.00 0.28 C ATOM 896 CG2 ILE A 55 -6.600 -1.048 4.437 1.00 0.48 C ATOM 897 CD1 ILE A 55 -6.070 -1.825 1.503 1.00 1.37 C ATOM 0 H ILE A 55 -5.208 -4.888 4.000 1.00 0.22 H new ATOM 0 HA ILE A 55 -4.577 -2.415 5.522 1.00 0.24 H new ATOM 0 HB ILE A 55 -6.906 -3.053 3.744 1.00 0.31 H new ATOM 0 HG12 ILE A 55 -4.440 -1.508 2.866 1.00 0.28 H new ATOM 0 HG13 ILE A 55 -4.724 -3.192 2.470 1.00 0.28 H new ATOM 0 HG21 ILE A 55 -7.138 -0.576 3.615 1.00 0.48 H new ATOM 0 HG22 ILE A 55 -7.277 -1.190 5.279 1.00 0.48 H new ATOM 0 HG23 ILE A 55 -5.770 -0.410 4.742 1.00 0.48 H new ATOM 0 HD11 ILE A 55 -5.435 -1.725 0.623 1.00 1.37 H new ATOM 0 HD12 ILE A 55 -6.835 -2.578 1.315 1.00 1.37 H new ATOM 0 HD13 ILE A 55 -6.547 -0.869 1.717 1.00 1.37 H new ATOM 909 N ASN A 56 -6.430 -2.986 7.262 1.00 0.31 N ATOM 910 CA ASN A 56 -7.327 -3.432 8.305 1.00 0.29 C ATOM 911 C ASN A 56 -8.352 -2.323 8.460 1.00 0.31 C ATOM 912 O ASN A 56 -7.993 -1.237 8.917 1.00 0.33 O ATOM 913 CB ASN A 56 -6.549 -3.655 9.618 1.00 0.33 C ATOM 914 CG ASN A 56 -5.233 -4.408 9.445 1.00 0.35 C ATOM 915 OD1 ASN A 56 -4.162 -3.841 9.644 1.00 1.22 O ATOM 916 ND2 ASN A 56 -5.291 -5.680 9.083 1.00 0.89 N ATOM 0 H ASN A 56 -5.943 -2.116 7.475 1.00 0.31 H new ATOM 0 HA ASN A 56 -7.804 -4.381 8.059 1.00 0.29 H new ATOM 0 HB2 ASN A 56 -6.343 -2.687 10.074 1.00 0.33 H new ATOM 0 HB3 ASN A 56 -7.182 -4.207 10.313 1.00 0.33 H new ATOM 0 HD21 ASN A 56 -4.431 -6.216 8.962 1.00 0.89 H new ATOM 0 HD22 ASN A 56 -6.195 -6.124 8.925 1.00 0.89 H new ATOM 923 N PHE A 57 -9.600 -2.569 8.051 1.00 0.34 N ATOM 924 CA PHE A 57 -10.623 -1.527 8.010 1.00 0.33 C ATOM 925 C PHE A 57 -11.815 -1.946 8.859 1.00 0.31 C ATOM 926 O PHE A 57 -12.772 -2.525 8.352 1.00 0.39 O ATOM 927 CB PHE A 57 -11.028 -1.187 6.566 1.00 0.39 C ATOM 928 CG PHE A 57 -11.158 0.291 6.241 1.00 0.70 C ATOM 929 CD1 PHE A 57 -10.946 0.708 4.917 1.00 1.17 C ATOM 930 CD2 PHE A 57 -11.465 1.254 7.223 1.00 2.26 C ATOM 931 CE1 PHE A 57 -11.054 2.064 4.563 1.00 1.14 C ATOM 932 CE2 PHE A 57 -11.532 2.615 6.879 1.00 2.66 C ATOM 933 CZ PHE A 57 -11.346 3.022 5.546 1.00 1.57 C ATOM 0 H PHE A 57 -9.924 -3.486 7.743 1.00 0.34 H new ATOM 0 HA PHE A 57 -10.210 -0.611 8.432 1.00 0.33 H new ATOM 0 HB2 PHE A 57 -10.292 -1.624 5.891 1.00 0.39 H new ATOM 0 HB3 PHE A 57 -11.982 -1.671 6.354 1.00 0.39 H new ATOM 0 HD1 PHE A 57 -10.697 -0.022 4.161 1.00 1.17 H new ATOM 0 HD2 PHE A 57 -11.649 0.946 8.242 1.00 2.26 H new ATOM 0 HE1 PHE A 57 -10.913 2.368 3.536 1.00 1.14 H new ATOM 0 HE2 PHE A 57 -11.728 3.353 7.643 1.00 2.66 H new ATOM 0 HZ PHE A 57 -11.427 4.066 5.280 1.00 1.57 H new ATOM 943 N PRO A 58 -11.760 -1.669 10.166 1.00 0.34 N ATOM 944 CA PRO A 58 -12.746 -2.163 11.107 1.00 0.38 C ATOM 945 C PRO A 58 -14.105 -1.498 10.878 1.00 0.32 C ATOM 946 O PRO A 58 -14.238 -0.555 10.098 1.00 0.27 O ATOM 947 CB PRO A 58 -12.158 -1.860 12.489 1.00 0.46 C ATOM 948 CG PRO A 58 -11.254 -0.653 12.237 1.00 0.47 C ATOM 949 CD PRO A 58 -10.721 -0.899 10.829 1.00 0.40 C ATOM 0 HA PRO A 58 -12.939 -3.230 10.994 1.00 0.38 H new ATOM 0 HB2 PRO A 58 -12.938 -1.632 13.216 1.00 0.46 H new ATOM 0 HB3 PRO A 58 -11.596 -2.708 12.880 1.00 0.46 H new ATOM 0 HG2 PRO A 58 -11.808 0.284 12.299 1.00 0.47 H new ATOM 0 HG3 PRO A 58 -10.447 -0.595 12.968 1.00 0.47 H new ATOM 0 HD2 PRO A 58 -10.532 0.040 10.308 1.00 0.40 H new ATOM 0 HD3 PRO A 58 -9.778 -1.446 10.853 1.00 0.40 H new ATOM 957 N ALA A 59 -15.129 -1.959 11.604 1.00 0.36 N ATOM 958 CA ALA A 59 -16.451 -1.345 11.554 1.00 0.35 C ATOM 959 C ALA A 59 -16.371 0.136 11.903 1.00 0.28 C ATOM 960 O ALA A 59 -17.161 0.941 11.419 1.00 0.31 O ATOM 961 CB ALA A 59 -17.416 -2.065 12.491 1.00 0.42 C ATOM 0 H ALA A 59 -15.062 -2.758 12.234 1.00 0.36 H new ATOM 0 HA ALA A 59 -16.830 -1.437 10.536 1.00 0.35 H new ATOM 0 HB1 ALA A 59 -18.396 -1.591 12.438 1.00 0.42 H new ATOM 0 HB2 ALA A 59 -17.502 -3.110 12.192 1.00 0.42 H new ATOM 0 HB3 ALA A 59 -17.041 -2.009 13.513 1.00 0.42 H new ATOM 967 N GLU A 60 -15.366 0.491 12.701 1.00 0.23 N ATOM 968 CA GLU A 60 -15.025 1.844 13.075 1.00 0.20 C ATOM 969 C GLU A 60 -14.458 2.662 11.909 1.00 0.20 C ATOM 970 O GLU A 60 -13.869 3.699 12.170 1.00 0.22 O ATOM 971 CB GLU A 60 -13.976 1.790 14.192 1.00 0.33 C ATOM 972 CG GLU A 60 -14.369 0.887 15.363 1.00 0.62 C ATOM 973 CD GLU A 60 -13.294 0.979 16.448 1.00 0.89 C ATOM 974 OE1 GLU A 60 -12.103 0.820 16.087 1.00 2.12 O ATOM 975 OE2 GLU A 60 -13.648 1.252 17.612 1.00 1.31 O ATOM 0 H GLU A 60 -14.742 -0.198 13.120 1.00 0.23 H new ATOM 0 HA GLU A 60 -15.942 2.335 13.401 1.00 0.20 H new ATOM 0 HB2 GLU A 60 -13.032 1.439 13.775 1.00 0.33 H new ATOM 0 HB3 GLU A 60 -13.804 2.799 14.565 1.00 0.33 H new ATOM 0 HG2 GLU A 60 -15.336 1.191 15.765 1.00 0.62 H new ATOM 0 HG3 GLU A 60 -14.474 -0.144 15.024 1.00 0.62 H new ATOM 982 N TYR A 61 -14.632 2.275 10.641 1.00 0.26 N ATOM 983 CA TYR A 61 -14.207 3.091 9.500 1.00 0.37 C ATOM 984 C TYR A 61 -14.572 4.576 9.674 1.00 0.30 C ATOM 985 O TYR A 61 -13.700 5.434 9.539 1.00 0.28 O ATOM 986 CB TYR A 61 -14.717 2.490 8.167 1.00 0.62 C ATOM 987 CG TYR A 61 -15.296 3.473 7.154 1.00 0.71 C ATOM 988 CD1 TYR A 61 -14.512 4.531 6.649 1.00 1.76 C ATOM 989 CD2 TYR A 61 -16.643 3.363 6.757 1.00 2.27 C ATOM 990 CE1 TYR A 61 -15.076 5.500 5.802 1.00 1.85 C ATOM 991 CE2 TYR A 61 -17.218 4.330 5.915 1.00 2.33 C ATOM 992 CZ TYR A 61 -16.440 5.413 5.449 1.00 1.04 C ATOM 993 OH TYR A 61 -17.024 6.380 4.689 1.00 1.27 O ATOM 0 H TYR A 61 -15.069 1.392 10.378 1.00 0.26 H new ATOM 0 HA TYR A 61 -13.118 3.065 9.461 1.00 0.37 H new ATOM 0 HB2 TYR A 61 -13.891 1.960 7.694 1.00 0.62 H new ATOM 0 HB3 TYR A 61 -15.481 1.748 8.398 1.00 0.62 H new ATOM 0 HD1 TYR A 61 -13.468 4.597 6.916 1.00 1.76 H new ATOM 0 HD2 TYR A 61 -17.238 2.530 7.102 1.00 2.27 H new ATOM 0 HE1 TYR A 61 -14.468 6.308 5.423 1.00 1.85 H new ATOM 0 HE2 TYR A 61 -18.255 4.245 5.624 1.00 2.33 H new ATOM 0 HH TYR A 61 -16.932 7.247 5.136 1.00 1.27 H new ATOM 1003 N PRO A 62 -15.834 4.929 9.963 1.00 0.36 N ATOM 1004 CA PRO A 62 -16.216 6.326 10.052 1.00 0.39 C ATOM 1005 C PRO A 62 -15.811 6.958 11.394 1.00 0.37 C ATOM 1006 O PRO A 62 -15.994 8.156 11.592 1.00 0.45 O ATOM 1007 CB PRO A 62 -17.727 6.326 9.825 1.00 0.47 C ATOM 1008 CG PRO A 62 -18.173 4.987 10.412 1.00 0.50 C ATOM 1009 CD PRO A 62 -16.982 4.060 10.171 1.00 0.45 C ATOM 0 HA PRO A 62 -15.701 6.941 9.314 1.00 0.39 H new ATOM 0 HB2 PRO A 62 -18.209 7.165 10.327 1.00 0.47 H new ATOM 0 HB3 PRO A 62 -17.974 6.403 8.766 1.00 0.47 H new ATOM 0 HG2 PRO A 62 -18.402 5.074 11.474 1.00 0.50 H new ATOM 0 HG3 PRO A 62 -19.073 4.616 9.921 1.00 0.50 H new ATOM 0 HD2 PRO A 62 -16.822 3.400 11.024 1.00 0.45 H new ATOM 0 HD3 PRO A 62 -17.152 3.424 9.303 1.00 0.45 H new ATOM 1017 N PHE A 63 -15.251 6.178 12.315 1.00 0.30 N ATOM 1018 CA PHE A 63 -14.728 6.642 13.591 1.00 0.33 C ATOM 1019 C PHE A 63 -13.224 6.910 13.531 1.00 0.31 C ATOM 1020 O PHE A 63 -12.739 7.789 14.237 1.00 0.43 O ATOM 1021 CB PHE A 63 -15.025 5.597 14.678 1.00 0.40 C ATOM 1022 CG PHE A 63 -16.275 5.872 15.481 1.00 0.45 C ATOM 1023 CD1 PHE A 63 -16.173 6.513 16.729 1.00 2.00 C ATOM 1024 CD2 PHE A 63 -17.535 5.479 14.995 1.00 1.58 C ATOM 1025 CE1 PHE A 63 -17.325 6.753 17.496 1.00 2.06 C ATOM 1026 CE2 PHE A 63 -18.689 5.720 15.762 1.00 1.61 C ATOM 1027 CZ PHE A 63 -18.584 6.356 17.013 1.00 0.74 C ATOM 0 H PHE A 63 -15.147 5.172 12.186 1.00 0.30 H new ATOM 0 HA PHE A 63 -15.221 7.584 13.830 1.00 0.33 H new ATOM 0 HB2 PHE A 63 -15.117 4.618 14.208 1.00 0.40 H new ATOM 0 HB3 PHE A 63 -14.175 5.546 15.358 1.00 0.40 H new ATOM 0 HD1 PHE A 63 -15.206 6.821 17.098 1.00 2.00 H new ATOM 0 HD2 PHE A 63 -17.616 4.993 14.034 1.00 1.58 H new ATOM 0 HE1 PHE A 63 -17.244 7.242 18.456 1.00 2.06 H new ATOM 0 HE2 PHE A 63 -19.657 5.417 15.391 1.00 1.61 H new ATOM 0 HZ PHE A 63 -19.471 6.539 17.602 1.00 0.74 H new ATOM 1037 N LYS A 64 -12.458 6.124 12.771 1.00 0.23 N ATOM 1038 CA LYS A 64 -11.001 6.146 12.835 1.00 0.25 C ATOM 1039 C LYS A 64 -10.442 5.530 11.555 1.00 0.29 C ATOM 1040 O LYS A 64 -11.066 4.639 10.983 1.00 0.33 O ATOM 1041 CB LYS A 64 -10.522 5.399 14.098 1.00 0.25 C ATOM 1042 CG LYS A 64 -11.044 3.955 14.217 1.00 1.26 C ATOM 1043 CD LYS A 64 -9.966 2.899 13.956 1.00 2.18 C ATOM 1044 CE LYS A 64 -9.086 2.664 15.188 1.00 2.54 C ATOM 1045 NZ LYS A 64 -9.799 1.896 16.232 1.00 2.81 N ATOM 0 H LYS A 64 -12.833 5.457 12.096 1.00 0.23 H new ATOM 0 HA LYS A 64 -10.635 7.170 12.908 1.00 0.25 H new ATOM 0 HB2 LYS A 64 -9.432 5.380 14.103 1.00 0.25 H new ATOM 0 HB3 LYS A 64 -10.836 5.960 14.978 1.00 0.25 H new ATOM 0 HG2 LYS A 64 -11.455 3.806 15.215 1.00 1.26 H new ATOM 0 HG3 LYS A 64 -11.862 3.812 13.511 1.00 1.26 H new ATOM 0 HD2 LYS A 64 -10.439 1.962 13.664 1.00 2.18 H new ATOM 0 HD3 LYS A 64 -9.343 3.216 13.120 1.00 2.18 H new ATOM 0 HE2 LYS A 64 -8.184 2.127 14.894 1.00 2.54 H new ATOM 0 HE3 LYS A 64 -8.767 3.623 15.596 1.00 2.54 H new ATOM 0 HZ1 LYS A 64 -9.986 2.512 17.049 1.00 2.81 H new ATOM 0 HZ2 LYS A 64 -10.700 1.544 15.850 1.00 2.81 H new ATOM 0 HZ3 LYS A 64 -9.213 1.091 16.532 1.00 2.81 H new ATOM 1059 N PRO A 65 -9.282 5.994 11.076 1.00 0.33 N ATOM 1060 CA PRO A 65 -8.715 5.504 9.836 1.00 0.37 C ATOM 1061 C PRO A 65 -8.214 4.069 10.019 1.00 0.32 C ATOM 1062 O PRO A 65 -7.927 3.649 11.141 1.00 0.31 O ATOM 1063 CB PRO A 65 -7.578 6.475 9.514 1.00 0.42 C ATOM 1064 CG PRO A 65 -7.116 6.942 10.893 1.00 0.42 C ATOM 1065 CD PRO A 65 -8.414 6.976 11.700 1.00 0.36 C ATOM 0 HA PRO A 65 -9.438 5.466 9.022 1.00 0.37 H new ATOM 0 HB2 PRO A 65 -6.774 5.985 8.965 1.00 0.42 H new ATOM 0 HB3 PRO A 65 -7.922 7.308 8.901 1.00 0.42 H new ATOM 0 HG2 PRO A 65 -6.389 6.257 11.328 1.00 0.42 H new ATOM 0 HG3 PRO A 65 -6.643 7.923 10.849 1.00 0.42 H new ATOM 0 HD2 PRO A 65 -8.232 6.731 12.747 1.00 0.36 H new ATOM 0 HD3 PRO A 65 -8.864 7.968 11.678 1.00 0.36 H new ATOM 1073 N PRO A 66 -8.093 3.307 8.926 1.00 0.35 N ATOM 1074 CA PRO A 66 -7.561 1.961 8.972 1.00 0.35 C ATOM 1075 C PRO A 66 -6.054 2.005 9.188 1.00 0.33 C ATOM 1076 O PRO A 66 -5.421 3.058 9.101 1.00 0.32 O ATOM 1077 CB PRO A 66 -7.897 1.354 7.612 1.00 0.47 C ATOM 1078 CG PRO A 66 -7.924 2.552 6.676 1.00 0.57 C ATOM 1079 CD PRO A 66 -8.345 3.726 7.561 1.00 0.48 C ATOM 0 HA PRO A 66 -7.982 1.374 9.789 1.00 0.35 H new ATOM 0 HB2 PRO A 66 -7.149 0.623 7.305 1.00 0.47 H new ATOM 0 HB3 PRO A 66 -8.857 0.839 7.630 1.00 0.47 H new ATOM 0 HG2 PRO A 66 -6.946 2.726 6.226 1.00 0.57 H new ATOM 0 HG3 PRO A 66 -8.628 2.400 5.858 1.00 0.57 H new ATOM 0 HD2 PRO A 66 -7.776 4.623 7.317 1.00 0.48 H new ATOM 0 HD3 PRO A 66 -9.398 3.967 7.415 1.00 0.48 H new ATOM 1087 N LYS A 67 -5.463 0.833 9.401 1.00 0.39 N ATOM 1088 CA LYS A 67 -4.017 0.678 9.399 1.00 0.33 C ATOM 1089 C LYS A 67 -3.656 -0.148 8.179 1.00 0.23 C ATOM 1090 O LYS A 67 -4.487 -0.898 7.678 1.00 0.31 O ATOM 1091 CB LYS A 67 -3.550 0.016 10.707 1.00 0.46 C ATOM 1092 CG LYS A 67 -3.008 1.071 11.680 1.00 0.89 C ATOM 1093 CD LYS A 67 -1.599 1.534 11.272 1.00 0.75 C ATOM 1094 CE LYS A 67 -0.493 0.684 11.915 1.00 1.65 C ATOM 1095 NZ LYS A 67 -0.154 1.141 13.283 1.00 1.94 N ATOM 0 H LYS A 67 -5.974 -0.032 9.579 1.00 0.39 H new ATOM 0 HA LYS A 67 -3.514 1.643 9.346 1.00 0.33 H new ATOM 0 HB2 LYS A 67 -4.381 -0.519 11.167 1.00 0.46 H new ATOM 0 HB3 LYS A 67 -2.776 -0.721 10.492 1.00 0.46 H new ATOM 0 HG2 LYS A 67 -3.682 1.927 11.704 1.00 0.89 H new ATOM 0 HG3 LYS A 67 -2.980 0.659 12.689 1.00 0.89 H new ATOM 0 HD2 LYS A 67 -1.504 1.488 10.187 1.00 0.75 H new ATOM 0 HD3 LYS A 67 -1.465 2.577 11.559 1.00 0.75 H new ATOM 0 HE2 LYS A 67 -0.813 -0.357 11.951 1.00 1.65 H new ATOM 0 HE3 LYS A 67 0.400 0.721 11.291 1.00 1.65 H new ATOM 0 HZ1 LYS A 67 0.596 0.537 13.675 1.00 1.94 H new ATOM 0 HZ2 LYS A 67 0.178 2.126 13.248 1.00 1.94 H new ATOM 0 HZ3 LYS A 67 -0.998 1.081 13.888 1.00 1.94 H new ATOM 1109 N ILE A 68 -2.426 -0.016 7.697 1.00 0.15 N ATOM 1110 CA ILE A 68 -1.909 -0.901 6.667 1.00 0.16 C ATOM 1111 C ILE A 68 -0.570 -1.416 7.167 1.00 0.15 C ATOM 1112 O ILE A 68 0.169 -0.676 7.820 1.00 0.20 O ATOM 1113 CB ILE A 68 -1.767 -0.182 5.313 1.00 0.17 C ATOM 1114 CG1 ILE A 68 -2.847 0.897 5.121 1.00 0.27 C ATOM 1115 CG2 ILE A 68 -1.795 -1.200 4.163 1.00 0.24 C ATOM 1116 CD1 ILE A 68 -2.590 1.684 3.850 1.00 0.34 C ATOM 0 H ILE A 68 -1.768 0.699 8.006 1.00 0.15 H new ATOM 0 HA ILE A 68 -2.600 -1.725 6.490 1.00 0.16 H new ATOM 0 HB ILE A 68 -0.803 0.326 5.306 1.00 0.17 H new ATOM 0 HG12 ILE A 68 -3.831 0.431 5.075 1.00 0.27 H new ATOM 0 HG13 ILE A 68 -2.853 1.570 5.978 1.00 0.27 H new ATOM 0 HG21 ILE A 68 -1.694 -0.677 3.212 1.00 0.24 H new ATOM 0 HG22 ILE A 68 -0.971 -1.904 4.280 1.00 0.24 H new ATOM 0 HG23 ILE A 68 -2.740 -1.742 4.180 1.00 0.24 H new ATOM 0 HD11 ILE A 68 -3.363 2.443 3.729 1.00 0.34 H new ATOM 0 HD12 ILE A 68 -1.614 2.166 3.912 1.00 0.34 H new ATOM 0 HD13 ILE A 68 -2.608 1.009 2.994 1.00 0.34 H new ATOM 1128 N THR A 69 -0.263 -2.671 6.857 1.00 0.17 N ATOM 1129 CA THR A 69 1.028 -3.246 7.165 1.00 0.18 C ATOM 1130 C THR A 69 1.441 -4.105 5.979 1.00 0.17 C ATOM 1131 O THR A 69 0.708 -5.003 5.558 1.00 0.20 O ATOM 1132 CB THR A 69 0.953 -4.064 8.461 1.00 0.20 C ATOM 1133 OG1 THR A 69 0.104 -3.462 9.416 1.00 0.25 O ATOM 1134 CG2 THR A 69 2.344 -4.183 9.080 1.00 0.21 C ATOM 0 H THR A 69 -0.904 -3.311 6.387 1.00 0.17 H new ATOM 0 HA THR A 69 1.773 -2.467 7.329 1.00 0.18 H new ATOM 0 HB THR A 69 0.554 -5.044 8.198 1.00 0.20 H new ATOM 0 HG1 THR A 69 0.081 -4.013 10.226 1.00 0.25 H new ATOM 0 HG21 THR A 69 2.284 -4.765 10.000 1.00 0.21 H new ATOM 0 HG22 THR A 69 3.013 -4.681 8.378 1.00 0.21 H new ATOM 0 HG23 THR A 69 2.729 -3.188 9.304 1.00 0.21 H new ATOM 1142 N PHE A 70 2.603 -3.813 5.409 1.00 0.17 N ATOM 1143 CA PHE A 70 3.167 -4.587 4.327 1.00 0.15 C ATOM 1144 C PHE A 70 3.591 -5.936 4.896 1.00 0.15 C ATOM 1145 O PHE A 70 4.084 -6.020 6.019 1.00 0.22 O ATOM 1146 CB PHE A 70 4.356 -3.841 3.716 1.00 0.19 C ATOM 1147 CG PHE A 70 4.001 -2.659 2.819 1.00 0.20 C ATOM 1148 CD1 PHE A 70 3.017 -1.709 3.164 1.00 0.19 C ATOM 1149 CD2 PHE A 70 4.681 -2.515 1.599 1.00 0.33 C ATOM 1150 CE1 PHE A 70 2.718 -0.649 2.290 1.00 0.20 C ATOM 1151 CE2 PHE A 70 4.402 -1.447 0.730 1.00 0.33 C ATOM 1152 CZ PHE A 70 3.420 -0.508 1.080 1.00 0.21 C ATOM 0 H PHE A 70 3.181 -3.022 5.693 1.00 0.17 H new ATOM 0 HA PHE A 70 2.437 -4.739 3.532 1.00 0.15 H new ATOM 0 HB2 PHE A 70 4.992 -3.482 4.525 1.00 0.19 H new ATOM 0 HB3 PHE A 70 4.948 -4.549 3.136 1.00 0.19 H new ATOM 0 HD1 PHE A 70 2.491 -1.796 4.103 1.00 0.19 H new ATOM 0 HD2 PHE A 70 5.433 -3.239 1.323 1.00 0.33 H new ATOM 0 HE1 PHE A 70 1.946 0.060 2.549 1.00 0.20 H new ATOM 0 HE2 PHE A 70 4.940 -1.349 -0.201 1.00 0.33 H new ATOM 0 HZ PHE A 70 3.204 0.321 0.422 1.00 0.21 H new ATOM 1162 N LYS A 71 3.367 -7.005 4.136 1.00 0.24 N ATOM 1163 CA LYS A 71 3.804 -8.340 4.511 1.00 0.27 C ATOM 1164 C LYS A 71 5.210 -8.581 3.979 1.00 0.29 C ATOM 1165 O LYS A 71 5.992 -9.294 4.603 1.00 0.36 O ATOM 1166 CB LYS A 71 2.850 -9.399 3.945 1.00 0.28 C ATOM 1167 CG LYS A 71 1.354 -9.108 4.138 1.00 0.41 C ATOM 1168 CD LYS A 71 0.853 -9.253 5.579 1.00 0.55 C ATOM 1169 CE LYS A 71 1.252 -8.079 6.480 1.00 0.94 C ATOM 1170 NZ LYS A 71 0.461 -8.079 7.729 1.00 1.36 N ATOM 0 H LYS A 71 2.877 -6.966 3.242 1.00 0.24 H new ATOM 0 HA LYS A 71 3.803 -8.417 5.598 1.00 0.27 H new ATOM 0 HB2 LYS A 71 3.047 -9.508 2.879 1.00 0.28 H new ATOM 0 HB3 LYS A 71 3.080 -10.357 4.411 1.00 0.28 H new ATOM 0 HG2 LYS A 71 1.148 -8.093 3.797 1.00 0.41 H new ATOM 0 HG3 LYS A 71 0.782 -9.781 3.500 1.00 0.41 H new ATOM 0 HD2 LYS A 71 -0.233 -9.343 5.571 1.00 0.55 H new ATOM 0 HD3 LYS A 71 1.247 -10.177 6.002 1.00 0.55 H new ATOM 0 HE2 LYS A 71 2.314 -8.142 6.718 1.00 0.94 H new ATOM 0 HE3 LYS A 71 1.100 -7.140 5.949 1.00 0.94 H new ATOM 0 HZ1 LYS A 71 0.102 -7.120 7.912 1.00 1.36 H new ATOM 0 HZ2 LYS A 71 -0.339 -8.736 7.633 1.00 1.36 H new ATOM 0 HZ3 LYS A 71 1.063 -8.380 8.521 1.00 1.36 H new ATOM 1184 N THR A 72 5.528 -8.042 2.802 1.00 0.27 N ATOM 1185 CA THR A 72 6.855 -8.222 2.253 1.00 0.29 C ATOM 1186 C THR A 72 7.777 -7.178 2.881 1.00 0.41 C ATOM 1187 O THR A 72 7.298 -6.152 3.362 1.00 0.63 O ATOM 1188 CB THR A 72 6.782 -8.120 0.726 1.00 0.29 C ATOM 1189 OG1 THR A 72 6.197 -6.896 0.331 1.00 0.42 O ATOM 1190 CG2 THR A 72 5.904 -9.253 0.175 1.00 0.29 C ATOM 0 H THR A 72 4.893 -7.489 2.226 1.00 0.27 H new ATOM 0 HA THR A 72 7.262 -9.206 2.485 1.00 0.29 H new ATOM 0 HB THR A 72 7.798 -8.187 0.338 1.00 0.29 H new ATOM 0 HG1 THR A 72 6.566 -6.621 -0.534 1.00 0.42 H new ATOM 0 HG21 THR A 72 5.853 -9.179 -0.911 1.00 0.29 H new ATOM 0 HG22 THR A 72 6.334 -10.215 0.453 1.00 0.29 H new ATOM 0 HG23 THR A 72 4.900 -9.171 0.591 1.00 0.29 H new ATOM 1198 N LYS A 73 9.097 -7.401 2.848 1.00 0.35 N ATOM 1199 CA LYS A 73 10.043 -6.362 3.241 1.00 0.31 C ATOM 1200 C LYS A 73 9.778 -5.117 2.417 1.00 0.38 C ATOM 1201 O LYS A 73 9.256 -5.221 1.308 1.00 0.76 O ATOM 1202 CB LYS A 73 11.497 -6.806 3.020 1.00 0.36 C ATOM 1203 CG LYS A 73 11.891 -8.030 3.847 1.00 0.90 C ATOM 1204 CD LYS A 73 11.466 -7.867 5.305 1.00 0.57 C ATOM 1205 CE LYS A 73 12.122 -8.933 6.186 1.00 0.75 C ATOM 1206 NZ LYS A 73 11.605 -10.285 5.886 1.00 2.42 N ATOM 0 H LYS A 73 9.525 -8.280 2.557 1.00 0.35 H new ATOM 0 HA LYS A 73 9.906 -6.162 4.304 1.00 0.31 H new ATOM 0 HB2 LYS A 73 11.644 -7.028 1.963 1.00 0.36 H new ATOM 0 HB3 LYS A 73 12.163 -5.980 3.268 1.00 0.36 H new ATOM 0 HG2 LYS A 73 11.426 -8.922 3.427 1.00 0.90 H new ATOM 0 HG3 LYS A 73 12.970 -8.177 3.793 1.00 0.90 H new ATOM 0 HD2 LYS A 73 11.743 -6.875 5.660 1.00 0.57 H new ATOM 0 HD3 LYS A 73 10.381 -7.942 5.383 1.00 0.57 H new ATOM 0 HE2 LYS A 73 13.202 -8.915 6.036 1.00 0.75 H new ATOM 0 HE3 LYS A 73 11.942 -8.699 7.235 1.00 0.75 H new ATOM 0 HZ1 LYS A 73 11.969 -10.960 6.589 1.00 2.42 H new ATOM 0 HZ2 LYS A 73 10.566 -10.275 5.921 1.00 2.42 H new ATOM 0 HZ3 LYS A 73 11.916 -10.573 4.936 1.00 2.42 H new ATOM 1220 N ILE A 74 10.167 -3.958 2.941 1.00 0.27 N ATOM 1221 CA ILE A 74 10.001 -2.699 2.248 1.00 0.29 C ATOM 1222 C ILE A 74 11.355 -2.032 2.103 1.00 0.26 C ATOM 1223 O ILE A 74 12.264 -2.284 2.889 1.00 0.50 O ATOM 1224 CB ILE A 74 8.953 -1.834 2.970 1.00 0.45 C ATOM 1225 CG1 ILE A 74 9.396 -1.296 4.340 1.00 0.51 C ATOM 1226 CG2 ILE A 74 7.686 -2.659 3.232 1.00 0.79 C ATOM 1227 CD1 ILE A 74 10.160 0.027 4.299 1.00 0.43 C ATOM 0 H ILE A 74 10.605 -3.873 3.858 1.00 0.27 H new ATOM 0 HA ILE A 74 9.615 -2.855 1.241 1.00 0.29 H new ATOM 0 HB ILE A 74 8.791 -0.988 2.301 1.00 0.45 H new ATOM 0 HG12 ILE A 74 8.513 -1.169 4.966 1.00 0.51 H new ATOM 0 HG13 ILE A 74 10.023 -2.046 4.822 1.00 0.51 H new ATOM 0 HG21 ILE A 74 6.948 -2.041 3.743 1.00 0.79 H new ATOM 0 HG22 ILE A 74 7.275 -3.005 2.284 1.00 0.79 H new ATOM 0 HG23 ILE A 74 7.934 -3.518 3.855 1.00 0.79 H new ATOM 0 HD11 ILE A 74 10.429 0.323 5.313 1.00 0.43 H new ATOM 0 HD12 ILE A 74 11.065 -0.094 3.704 1.00 0.43 H new ATOM 0 HD13 ILE A 74 9.531 0.796 3.851 1.00 0.43 H new ATOM 1239 N TYR A 75 11.470 -1.167 1.097 1.00 0.23 N ATOM 1240 CA TYR A 75 12.651 -0.350 0.869 1.00 0.29 C ATOM 1241 C TYR A 75 12.216 1.077 0.535 1.00 0.42 C ATOM 1242 O TYR A 75 12.934 1.803 -0.137 1.00 0.95 O ATOM 1243 CB TYR A 75 13.516 -0.976 -0.245 1.00 0.46 C ATOM 1244 CG TYR A 75 14.974 -1.074 0.145 1.00 0.69 C ATOM 1245 CD1 TYR A 75 15.503 -2.308 0.560 1.00 2.15 C ATOM 1246 CD2 TYR A 75 15.786 0.077 0.147 1.00 1.93 C ATOM 1247 CE1 TYR A 75 16.848 -2.404 0.957 1.00 2.39 C ATOM 1248 CE2 TYR A 75 17.127 -0.006 0.563 1.00 2.34 C ATOM 1249 CZ TYR A 75 17.666 -1.254 0.959 1.00 1.83 C ATOM 1250 OH TYR A 75 18.977 -1.362 1.314 1.00 2.41 O ATOM 0 H TYR A 75 10.732 -1.015 0.410 1.00 0.23 H new ATOM 0 HA TYR A 75 13.266 -0.311 1.768 1.00 0.29 H new ATOM 0 HB2 TYR A 75 13.138 -1.971 -0.480 1.00 0.46 H new ATOM 0 HB3 TYR A 75 13.424 -0.378 -1.152 1.00 0.46 H new ATOM 0 HD1 TYR A 75 14.874 -3.186 0.574 1.00 2.15 H new ATOM 0 HD2 TYR A 75 15.378 1.025 -0.171 1.00 1.93 H new ATOM 0 HE1 TYR A 75 17.255 -3.357 1.260 1.00 2.39 H new ATOM 0 HE2 TYR A 75 17.744 0.880 0.580 1.00 2.34 H new ATOM 0 HH TYR A 75 19.403 -0.481 1.263 1.00 2.41 H new ATOM 1260 N HIS A 76 11.025 1.488 0.979 1.00 0.24 N ATOM 1261 CA HIS A 76 10.445 2.780 0.639 1.00 0.22 C ATOM 1262 C HIS A 76 10.206 3.532 1.935 1.00 0.21 C ATOM 1263 O HIS A 76 9.576 2.978 2.823 1.00 0.24 O ATOM 1264 CB HIS A 76 9.120 2.586 -0.112 1.00 0.26 C ATOM 1265 CG HIS A 76 9.305 2.298 -1.576 1.00 0.55 C ATOM 1266 ND1 HIS A 76 9.505 1.059 -2.161 1.00 0.85 N ATOM 1267 CD2 HIS A 76 9.279 3.239 -2.566 1.00 1.15 C ATOM 1268 CE1 HIS A 76 9.637 1.256 -3.485 1.00 1.32 C ATOM 1269 NE2 HIS A 76 9.490 2.569 -3.751 1.00 1.54 N ATOM 0 H HIS A 76 10.435 0.924 1.590 1.00 0.24 H new ATOM 0 HA HIS A 76 11.119 3.341 -0.009 1.00 0.22 H new ATOM 0 HB2 HIS A 76 8.567 1.766 0.346 1.00 0.26 H new ATOM 0 HB3 HIS A 76 8.511 3.483 0.001 1.00 0.26 H new ATOM 0 HD2 HIS A 76 9.123 4.301 -2.444 1.00 1.15 H new ATOM 0 HE1 HIS A 76 9.830 0.486 -4.217 1.00 1.32 H new ATOM 0 HE2 HIS A 76 9.529 2.996 -4.677 1.00 1.54 H new ATOM 1278 N PRO A 77 10.636 4.794 2.039 1.00 0.24 N ATOM 1279 CA PRO A 77 10.611 5.550 3.285 1.00 0.26 C ATOM 1280 C PRO A 77 9.197 5.820 3.778 1.00 0.26 C ATOM 1281 O PRO A 77 8.986 6.183 4.929 1.00 0.24 O ATOM 1282 CB PRO A 77 11.312 6.864 2.945 1.00 0.29 C ATOM 1283 CG PRO A 77 11.033 7.049 1.455 1.00 0.30 C ATOM 1284 CD PRO A 77 11.098 5.617 0.936 1.00 0.26 C ATOM 0 HA PRO A 77 11.095 4.996 4.089 1.00 0.26 H new ATOM 0 HB2 PRO A 77 10.916 7.693 3.532 1.00 0.29 H new ATOM 0 HB3 PRO A 77 12.382 6.811 3.149 1.00 0.29 H new ATOM 0 HG2 PRO A 77 10.058 7.503 1.276 1.00 0.30 H new ATOM 0 HG3 PRO A 77 11.775 7.689 0.978 1.00 0.30 H new ATOM 0 HD2 PRO A 77 10.468 5.487 0.056 1.00 0.26 H new ATOM 0 HD3 PRO A 77 12.113 5.350 0.643 1.00 0.26 H new ATOM 1292 N ASN A 78 8.224 5.715 2.881 1.00 0.28 N ATOM 1293 CA ASN A 78 6.827 6.027 3.141 1.00 0.23 C ATOM 1294 C ASN A 78 6.199 4.945 4.021 1.00 0.22 C ATOM 1295 O ASN A 78 5.116 5.144 4.570 1.00 0.27 O ATOM 1296 CB ASN A 78 6.085 6.161 1.803 1.00 0.28 C ATOM 1297 CG ASN A 78 7.009 6.705 0.720 1.00 0.97 C ATOM 1298 OD1 ASN A 78 7.623 5.926 0.003 1.00 2.23 O ATOM 1299 ND2 ASN A 78 7.251 8.008 0.689 1.00 2.07 N ATOM 0 H ASN A 78 8.392 5.401 1.925 1.00 0.28 H new ATOM 0 HA ASN A 78 6.752 6.972 3.678 1.00 0.23 H new ATOM 0 HB2 ASN A 78 5.696 5.189 1.500 1.00 0.28 H new ATOM 0 HB3 ASN A 78 5.228 6.824 1.923 1.00 0.28 H new ATOM 0 HD21 ASN A 78 7.961 8.380 0.058 1.00 2.07 H new ATOM 0 HD22 ASN A 78 6.727 8.639 1.296 1.00 2.07 H new ATOM 1306 N ILE A 79 6.878 3.800 4.136 1.00 0.19 N ATOM 1307 CA ILE A 79 6.517 2.668 4.958 1.00 0.20 C ATOM 1308 C ILE A 79 7.707 2.437 5.903 1.00 0.20 C ATOM 1309 O ILE A 79 8.817 2.900 5.648 1.00 0.24 O ATOM 1310 CB ILE A 79 6.192 1.476 4.030 1.00 0.20 C ATOM 1311 CG1 ILE A 79 5.217 1.887 2.906 1.00 0.23 C ATOM 1312 CG2 ILE A 79 5.587 0.289 4.796 1.00 0.22 C ATOM 1313 CD1 ILE A 79 5.869 1.863 1.517 1.00 0.38 C ATOM 0 H ILE A 79 7.745 3.641 3.622 1.00 0.19 H new ATOM 0 HA ILE A 79 5.625 2.819 5.566 1.00 0.20 H new ATOM 0 HB ILE A 79 7.143 1.166 3.597 1.00 0.20 H new ATOM 0 HG12 ILE A 79 4.359 1.215 2.911 1.00 0.23 H new ATOM 0 HG13 ILE A 79 4.838 2.889 3.108 1.00 0.23 H new ATOM 0 HG21 ILE A 79 5.376 -0.523 4.101 1.00 0.22 H new ATOM 0 HG22 ILE A 79 6.293 -0.055 5.552 1.00 0.22 H new ATOM 0 HG23 ILE A 79 4.662 0.602 5.280 1.00 0.22 H new ATOM 0 HD11 ILE A 79 5.137 2.161 0.766 1.00 0.38 H new ATOM 0 HD12 ILE A 79 6.710 2.556 1.498 1.00 0.38 H new ATOM 0 HD13 ILE A 79 6.223 0.856 1.299 1.00 0.38 H new ATOM 1325 N ASP A 80 7.471 1.772 7.026 1.00 0.22 N ATOM 1326 CA ASP A 80 8.437 1.495 8.074 1.00 0.28 C ATOM 1327 C ASP A 80 8.963 0.083 7.874 1.00 0.30 C ATOM 1328 O ASP A 80 8.322 -0.724 7.207 1.00 0.31 O ATOM 1329 CB ASP A 80 7.689 1.554 9.402 1.00 0.33 C ATOM 1330 CG ASP A 80 8.520 1.097 10.589 1.00 0.46 C ATOM 1331 OD1 ASP A 80 7.962 0.301 11.378 1.00 2.25 O ATOM 1332 OD2 ASP A 80 9.705 1.485 10.647 1.00 1.77 O ATOM 0 H ASP A 80 6.549 1.392 7.239 1.00 0.22 H new ATOM 0 HA ASP A 80 9.262 2.207 8.056 1.00 0.28 H new ATOM 0 HB2 ASP A 80 7.354 2.577 9.576 1.00 0.33 H new ATOM 0 HB3 ASP A 80 6.796 0.933 9.334 1.00 0.33 H new ATOM 1337 N GLU A 81 10.082 -0.259 8.503 1.00 0.38 N ATOM 1338 CA GLU A 81 10.656 -1.592 8.436 1.00 0.46 C ATOM 1339 C GLU A 81 9.650 -2.664 8.857 1.00 0.41 C ATOM 1340 O GLU A 81 9.612 -3.743 8.268 1.00 0.45 O ATOM 1341 CB GLU A 81 11.924 -1.639 9.289 1.00 0.60 C ATOM 1342 CG GLU A 81 13.042 -0.813 8.638 1.00 1.24 C ATOM 1343 CD GLU A 81 14.178 -0.550 9.627 1.00 2.51 C ATOM 1344 OE1 GLU A 81 15.084 -1.406 9.702 1.00 3.09 O ATOM 1345 OE2 GLU A 81 14.120 0.508 10.299 1.00 3.99 O ATOM 0 H GLU A 81 10.619 0.390 9.078 1.00 0.38 H new ATOM 0 HA GLU A 81 10.919 -1.811 7.401 1.00 0.46 H new ATOM 0 HB2 GLU A 81 11.713 -1.253 10.286 1.00 0.60 H new ATOM 0 HB3 GLU A 81 12.250 -2.672 9.409 1.00 0.60 H new ATOM 0 HG2 GLU A 81 13.429 -1.342 7.767 1.00 1.24 H new ATOM 0 HG3 GLU A 81 12.638 0.135 8.282 1.00 1.24 H new ATOM 1352 N LYS A 82 8.781 -2.372 9.831 1.00 0.35 N ATOM 1353 CA LYS A 82 7.724 -3.297 10.241 1.00 0.32 C ATOM 1354 C LYS A 82 6.516 -3.233 9.294 1.00 0.27 C ATOM 1355 O LYS A 82 5.403 -3.562 9.695 1.00 0.27 O ATOM 1356 CB LYS A 82 7.343 -2.965 11.697 1.00 0.34 C ATOM 1357 CG LYS A 82 7.905 -3.983 12.688 1.00 0.84 C ATOM 1358 CD LYS A 82 8.148 -3.282 14.027 1.00 1.17 C ATOM 1359 CE LYS A 82 8.425 -4.317 15.118 1.00 1.53 C ATOM 1360 NZ LYS A 82 8.863 -3.678 16.377 1.00 2.19 N ATOM 0 H LYS A 82 8.791 -1.495 10.352 1.00 0.35 H new ATOM 0 HA LYS A 82 8.084 -4.325 10.185 1.00 0.32 H new ATOM 0 HB2 LYS A 82 7.714 -1.972 11.950 1.00 0.34 H new ATOM 0 HB3 LYS A 82 6.257 -2.933 11.788 1.00 0.34 H new ATOM 0 HG2 LYS A 82 7.207 -4.811 12.816 1.00 0.84 H new ATOM 0 HG3 LYS A 82 8.835 -4.406 12.309 1.00 0.84 H new ATOM 0 HD2 LYS A 82 8.992 -2.598 13.941 1.00 1.17 H new ATOM 0 HD3 LYS A 82 7.278 -2.682 14.296 1.00 1.17 H new ATOM 0 HE2 LYS A 82 7.524 -4.903 15.301 1.00 1.53 H new ATOM 0 HE3 LYS A 82 9.193 -5.011 14.775 1.00 1.53 H new ATOM 0 HZ1 LYS A 82 9.042 -4.410 17.094 1.00 2.19 H new ATOM 0 HZ2 LYS A 82 9.736 -3.139 16.207 1.00 2.19 H new ATOM 0 HZ3 LYS A 82 8.120 -3.035 16.717 1.00 2.19 H new ATOM 1374 N GLY A 83 6.689 -2.791 8.047 1.00 0.26 N ATOM 1375 CA GLY A 83 5.612 -2.649 7.086 1.00 0.24 C ATOM 1376 C GLY A 83 4.598 -1.555 7.428 1.00 0.20 C ATOM 1377 O GLY A 83 3.659 -1.367 6.660 1.00 0.21 O ATOM 0 H GLY A 83 7.600 -2.519 7.678 1.00 0.26 H new ATOM 0 HA2 GLY A 83 6.041 -2.436 6.107 1.00 0.24 H new ATOM 0 HA3 GLY A 83 5.087 -3.601 7.004 1.00 0.24 H new ATOM 1381 N GLN A 84 4.729 -0.848 8.554 1.00 0.18 N ATOM 1382 CA GLN A 84 3.723 0.117 8.983 1.00 0.19 C ATOM 1383 C GLN A 84 3.686 1.305 8.031 1.00 0.18 C ATOM 1384 O GLN A 84 4.700 1.653 7.444 1.00 0.21 O ATOM 1385 CB GLN A 84 4.052 0.639 10.381 1.00 0.22 C ATOM 1386 CG GLN A 84 4.043 -0.464 11.437 1.00 0.36 C ATOM 1387 CD GLN A 84 4.317 0.138 12.806 1.00 0.76 C ATOM 1388 OE1 GLN A 84 3.386 0.379 13.573 1.00 1.02 O ATOM 1389 NE2 GLN A 84 5.580 0.422 13.113 1.00 1.35 N ATOM 0 H GLN A 84 5.527 -0.929 9.185 1.00 0.18 H new ATOM 0 HA GLN A 84 2.757 -0.388 8.988 1.00 0.19 H new ATOM 0 HB2 GLN A 84 5.033 1.114 10.366 1.00 0.22 H new ATOM 0 HB3 GLN A 84 3.330 1.407 10.657 1.00 0.22 H new ATOM 0 HG2 GLN A 84 3.079 -0.972 11.438 1.00 0.36 H new ATOM 0 HG3 GLN A 84 4.798 -1.214 11.201 1.00 0.36 H new ATOM 0 HE21 GLN A 84 6.326 0.208 12.451 1.00 1.35 H new ATOM 0 HE22 GLN A 84 5.802 0.854 14.010 1.00 1.35 H new ATOM 1398 N VAL A 85 2.551 1.984 7.916 1.00 0.19 N ATOM 1399 CA VAL A 85 2.427 3.106 6.994 1.00 0.19 C ATOM 1400 C VAL A 85 2.064 4.379 7.753 1.00 0.20 C ATOM 1401 O VAL A 85 1.418 4.307 8.799 1.00 0.23 O ATOM 1402 CB VAL A 85 1.383 2.758 5.931 1.00 0.20 C ATOM 1403 CG1 VAL A 85 1.778 1.499 5.153 1.00 0.21 C ATOM 1404 CG2 VAL A 85 -0.004 2.567 6.542 1.00 0.22 C ATOM 0 H VAL A 85 1.706 1.778 8.448 1.00 0.19 H new ATOM 0 HA VAL A 85 3.379 3.292 6.498 1.00 0.19 H new ATOM 0 HB VAL A 85 1.345 3.602 5.242 1.00 0.20 H new ATOM 0 HG11 VAL A 85 1.016 1.279 4.406 1.00 0.21 H new ATOM 0 HG12 VAL A 85 2.735 1.663 4.658 1.00 0.21 H new ATOM 0 HG13 VAL A 85 1.865 0.658 5.841 1.00 0.21 H new ATOM 0 HG21 VAL A 85 -0.717 2.321 5.755 1.00 0.22 H new ATOM 0 HG22 VAL A 85 0.028 1.756 7.270 1.00 0.22 H new ATOM 0 HG23 VAL A 85 -0.313 3.487 7.037 1.00 0.22 H new ATOM 1414 N CYS A 86 2.451 5.547 7.230 1.00 0.21 N ATOM 1415 CA CYS A 86 1.984 6.824 7.752 1.00 0.22 C ATOM 1416 C CYS A 86 1.776 7.800 6.589 1.00 0.21 C ATOM 1417 O CYS A 86 2.706 8.513 6.219 1.00 0.32 O ATOM 1418 CB CYS A 86 2.992 7.361 8.773 1.00 0.26 C ATOM 1419 SG CYS A 86 2.187 8.575 9.849 1.00 0.38 S ATOM 0 H CYS A 86 3.091 5.628 6.440 1.00 0.21 H new ATOM 0 HA CYS A 86 1.029 6.699 8.263 1.00 0.22 H new ATOM 0 HB2 CYS A 86 3.391 6.541 9.370 1.00 0.26 H new ATOM 0 HB3 CYS A 86 3.836 7.821 8.258 1.00 0.26 H new ATOM 0 HG CYS A 86 3.046 9.025 10.714 1.00 0.38 H new ATOM 1425 N LEU A 87 0.582 7.823 5.986 1.00 0.17 N ATOM 1426 CA LEU A 87 0.254 8.697 4.863 1.00 0.17 C ATOM 1427 C LEU A 87 -0.949 9.564 5.242 1.00 0.19 C ATOM 1428 O LEU A 87 -1.807 9.111 5.997 1.00 0.21 O ATOM 1429 CB LEU A 87 -0.123 7.871 3.622 1.00 0.15 C ATOM 1430 CG LEU A 87 0.939 6.948 3.018 1.00 0.15 C ATOM 1431 CD1 LEU A 87 2.294 7.630 2.865 1.00 0.20 C ATOM 1432 CD2 LEU A 87 1.125 5.647 3.789 1.00 0.17 C ATOM 0 H LEU A 87 -0.193 7.224 6.272 1.00 0.17 H new ATOM 0 HA LEU A 87 1.125 9.312 4.637 1.00 0.17 H new ATOM 0 HB2 LEU A 87 -0.988 7.260 3.879 1.00 0.15 H new ATOM 0 HB3 LEU A 87 -0.442 8.565 2.844 1.00 0.15 H new ATOM 0 HG LEU A 87 0.547 6.706 2.030 1.00 0.15 H new ATOM 0 HD11 LEU A 87 3.007 6.929 2.432 1.00 0.20 H new ATOM 0 HD12 LEU A 87 2.194 8.496 2.211 1.00 0.20 H new ATOM 0 HD13 LEU A 87 2.651 7.954 3.843 1.00 0.20 H new ATOM 0 HD21 LEU A 87 1.892 5.043 3.304 1.00 0.17 H new ATOM 0 HD22 LEU A 87 1.431 5.870 4.811 1.00 0.17 H new ATOM 0 HD23 LEU A 87 0.185 5.095 3.804 1.00 0.17 H new ATOM 1444 N PRO A 88 -1.091 10.769 4.668 1.00 0.20 N ATOM 1445 CA PRO A 88 -2.181 11.691 4.981 1.00 0.24 C ATOM 1446 C PRO A 88 -3.569 11.166 4.590 1.00 0.36 C ATOM 1447 O PRO A 88 -4.590 11.679 5.051 1.00 0.65 O ATOM 1448 CB PRO A 88 -1.829 13.000 4.272 1.00 0.24 C ATOM 1449 CG PRO A 88 -0.914 12.563 3.129 1.00 0.23 C ATOM 1450 CD PRO A 88 -0.164 11.375 3.728 1.00 0.20 C ATOM 0 HA PRO A 88 -2.264 11.827 6.059 1.00 0.24 H new ATOM 0 HB2 PRO A 88 -2.720 13.505 3.900 1.00 0.24 H new ATOM 0 HB3 PRO A 88 -1.326 13.695 4.944 1.00 0.24 H new ATOM 0 HG2 PRO A 88 -1.482 12.277 2.243 1.00 0.23 H new ATOM 0 HG3 PRO A 88 -0.234 13.360 2.828 1.00 0.23 H new ATOM 0 HD2 PRO A 88 0.131 10.666 2.954 1.00 0.20 H new ATOM 0 HD3 PRO A 88 0.749 11.698 4.229 1.00 0.20 H new ATOM 1458 N VAL A 89 -3.638 10.127 3.759 1.00 0.23 N ATOM 1459 CA VAL A 89 -4.899 9.469 3.433 1.00 0.23 C ATOM 1460 C VAL A 89 -5.510 8.827 4.683 1.00 0.22 C ATOM 1461 O VAL A 89 -6.730 8.843 4.834 1.00 0.32 O ATOM 1462 CB VAL A 89 -4.728 8.486 2.256 1.00 0.21 C ATOM 1463 CG1 VAL A 89 -4.479 9.283 0.971 1.00 0.23 C ATOM 1464 CG2 VAL A 89 -3.555 7.522 2.462 1.00 0.20 C ATOM 0 H VAL A 89 -2.825 9.721 3.296 1.00 0.23 H new ATOM 0 HA VAL A 89 -5.613 10.218 3.091 1.00 0.23 H new ATOM 0 HB VAL A 89 -5.642 7.896 2.190 1.00 0.21 H new ATOM 0 HG11 VAL A 89 -4.357 8.595 0.134 1.00 0.23 H new ATOM 0 HG12 VAL A 89 -5.328 9.940 0.780 1.00 0.23 H new ATOM 0 HG13 VAL A 89 -3.575 9.881 1.083 1.00 0.23 H new ATOM 0 HG21 VAL A 89 -3.479 6.853 1.605 1.00 0.20 H new ATOM 0 HG22 VAL A 89 -2.630 8.090 2.561 1.00 0.20 H new ATOM 0 HG23 VAL A 89 -3.720 6.936 3.366 1.00 0.20 H new ATOM 1474 N ILE A 90 -4.672 8.324 5.597 1.00 0.22 N ATOM 1475 CA ILE A 90 -5.076 7.637 6.822 1.00 0.22 C ATOM 1476 C ILE A 90 -4.424 8.265 8.053 1.00 0.24 C ATOM 1477 O ILE A 90 -4.374 7.653 9.118 1.00 0.25 O ATOM 1478 CB ILE A 90 -4.744 6.137 6.718 1.00 0.20 C ATOM 1479 CG1 ILE A 90 -3.243 5.894 6.472 1.00 0.21 C ATOM 1480 CG2 ILE A 90 -5.588 5.535 5.590 1.00 0.18 C ATOM 1481 CD1 ILE A 90 -2.908 4.418 6.269 1.00 0.22 C ATOM 0 H ILE A 90 -3.659 8.388 5.497 1.00 0.22 H new ATOM 0 HA ILE A 90 -6.154 7.746 6.940 1.00 0.22 H new ATOM 0 HB ILE A 90 -4.982 5.653 7.665 1.00 0.20 H new ATOM 0 HG12 ILE A 90 -2.927 6.458 5.594 1.00 0.21 H new ATOM 0 HG13 ILE A 90 -2.674 6.278 7.319 1.00 0.21 H new ATOM 0 HG21 ILE A 90 -5.368 4.471 5.499 1.00 0.18 H new ATOM 0 HG22 ILE A 90 -6.646 5.669 5.816 1.00 0.18 H new ATOM 0 HG23 ILE A 90 -5.351 6.036 4.651 1.00 0.18 H new ATOM 0 HD11 ILE A 90 -1.837 4.308 6.100 1.00 0.22 H new ATOM 0 HD12 ILE A 90 -3.195 3.854 7.157 1.00 0.22 H new ATOM 0 HD13 ILE A 90 -3.453 4.037 5.405 1.00 0.22 H new ATOM 1493 N SER A 91 -3.934 9.496 7.926 1.00 0.25 N ATOM 1494 CA SER A 91 -3.428 10.241 9.063 1.00 0.29 C ATOM 1495 C SER A 91 -4.579 10.485 10.036 1.00 0.30 C ATOM 1496 O SER A 91 -5.714 10.658 9.607 1.00 0.37 O ATOM 1497 CB SER A 91 -2.846 11.548 8.531 1.00 0.42 C ATOM 1498 OG SER A 91 -2.668 12.523 9.544 1.00 0.65 O ATOM 0 H SER A 91 -3.879 9.996 7.039 1.00 0.25 H new ATOM 0 HA SER A 91 -2.649 9.698 9.598 1.00 0.29 H new ATOM 0 HB2 SER A 91 -1.886 11.346 8.055 1.00 0.42 H new ATOM 0 HB3 SER A 91 -3.506 11.947 7.761 1.00 0.42 H new ATOM 0 HG SER A 91 -2.292 13.338 9.151 1.00 0.65 H new ATOM 1504 N ALA A 92 -4.295 10.521 11.340 1.00 0.34 N ATOM 1505 CA ALA A 92 -5.292 10.895 12.331 1.00 0.39 C ATOM 1506 C ALA A 92 -5.592 12.392 12.241 1.00 0.37 C ATOM 1507 O ALA A 92 -6.751 12.792 12.288 1.00 0.40 O ATOM 1508 CB ALA A 92 -4.808 10.514 13.732 1.00 0.60 C ATOM 0 H ALA A 92 -3.380 10.294 11.729 1.00 0.34 H new ATOM 0 HA ALA A 92 -6.216 10.353 12.130 1.00 0.39 H new ATOM 0 HB1 ALA A 92 -5.561 10.798 14.467 1.00 0.60 H new ATOM 0 HB2 ALA A 92 -4.642 9.438 13.780 1.00 0.60 H new ATOM 0 HB3 ALA A 92 -3.875 11.035 13.949 1.00 0.60 H new ATOM 1514 N GLU A 93 -4.564 13.234 12.097 1.00 0.47 N ATOM 1515 CA GLU A 93 -4.777 14.672 11.947 1.00 0.60 C ATOM 1516 C GLU A 93 -5.608 14.958 10.702 1.00 0.60 C ATOM 1517 O GLU A 93 -6.433 15.865 10.702 1.00 0.85 O ATOM 1518 CB GLU A 93 -3.446 15.429 11.853 1.00 0.70 C ATOM 1519 CG GLU A 93 -3.001 15.952 13.221 1.00 1.04 C ATOM 1520 CD GLU A 93 -1.882 16.980 13.055 1.00 1.45 C ATOM 1521 OE1 GLU A 93 -0.871 16.617 12.415 1.00 2.38 O ATOM 1522 OE2 GLU A 93 -2.065 18.116 13.548 1.00 2.13 O ATOM 0 H GLU A 93 -3.586 12.946 12.081 1.00 0.47 H new ATOM 0 HA GLU A 93 -5.311 15.018 12.832 1.00 0.60 H new ATOM 0 HB2 GLU A 93 -2.679 14.769 11.447 1.00 0.70 H new ATOM 0 HB3 GLU A 93 -3.549 16.263 11.159 1.00 0.70 H new ATOM 0 HG2 GLU A 93 -3.847 16.405 13.738 1.00 1.04 H new ATOM 0 HG3 GLU A 93 -2.655 15.124 13.840 1.00 1.04 H new ATOM 1529 N ASN A 94 -5.391 14.187 9.636 1.00 0.55 N ATOM 1530 CA ASN A 94 -6.143 14.362 8.403 1.00 0.62 C ATOM 1531 C ASN A 94 -7.034 13.144 8.194 1.00 0.56 C ATOM 1532 O ASN A 94 -7.172 12.667 7.069 1.00 0.71 O ATOM 1533 CB ASN A 94 -5.197 14.569 7.215 1.00 0.78 C ATOM 1534 CG ASN A 94 -4.425 15.880 7.276 1.00 1.14 C ATOM 1535 OD1 ASN A 94 -4.674 16.783 6.489 1.00 1.97 O ATOM 1536 ND2 ASN A 94 -3.466 16.001 8.185 1.00 1.05 N ATOM 0 H ASN A 94 -4.700 13.437 9.606 1.00 0.55 H new ATOM 0 HA ASN A 94 -6.767 15.253 8.477 1.00 0.62 H new ATOM 0 HB2 ASN A 94 -4.489 13.741 7.176 1.00 0.78 H new ATOM 0 HB3 ASN A 94 -5.775 14.539 6.291 1.00 0.78 H new ATOM 0 HD21 ASN A 94 -2.919 16.860 8.238 1.00 1.05 H new ATOM 0 HD22 ASN A 94 -3.276 15.235 8.831 1.00 1.05 H new ATOM 1543 N TRP A 95 -7.642 12.634 9.265 1.00 0.46 N ATOM 1544 CA TRP A 95 -8.629 11.569 9.149 1.00 0.45 C ATOM 1545 C TRP A 95 -9.932 12.197 8.674 1.00 0.47 C ATOM 1546 O TRP A 95 -10.241 13.346 8.978 1.00 0.90 O ATOM 1547 CB TRP A 95 -8.792 10.800 10.469 1.00 0.48 C ATOM 1548 CG TRP A 95 -10.164 10.296 10.813 1.00 0.42 C ATOM 1549 CD1 TRP A 95 -10.804 9.224 10.285 1.00 0.31 C ATOM 1550 CD2 TRP A 95 -11.075 10.855 11.804 1.00 0.54 C ATOM 1551 NE1 TRP A 95 -12.048 9.091 10.880 1.00 0.33 N ATOM 1552 CE2 TRP A 95 -12.270 10.080 11.816 1.00 0.46 C ATOM 1553 CE3 TRP A 95 -10.998 11.942 12.700 1.00 0.74 C ATOM 1554 CZ2 TRP A 95 -13.344 10.379 12.668 1.00 0.57 C ATOM 1555 CZ3 TRP A 95 -12.060 12.239 13.574 1.00 0.84 C ATOM 1556 CH2 TRP A 95 -13.231 11.461 13.558 1.00 0.75 C ATOM 0 H TRP A 95 -7.466 12.943 10.221 1.00 0.46 H new ATOM 0 HA TRP A 95 -8.300 10.825 8.424 1.00 0.45 H new ATOM 0 HB2 TRP A 95 -8.116 9.945 10.446 1.00 0.48 H new ATOM 0 HB3 TRP A 95 -8.459 11.448 11.279 1.00 0.48 H new ATOM 0 HD1 TRP A 95 -10.406 8.575 9.519 1.00 0.31 H new ATOM 0 HE1 TRP A 95 -12.716 8.354 10.654 1.00 0.33 H new ATOM 0 HE3 TRP A 95 -10.110 12.556 12.715 1.00 0.74 H new ATOM 0 HZ2 TRP A 95 -14.246 9.785 12.640 1.00 0.57 H new ATOM 0 HZ3 TRP A 95 -11.975 13.069 14.260 1.00 0.84 H new ATOM 0 HH2 TRP A 95 -14.044 11.695 14.230 1.00 0.75 H new ATOM 1567 N LYS A 96 -10.683 11.443 7.877 1.00 0.58 N ATOM 1568 CA LYS A 96 -11.922 11.890 7.276 1.00 0.72 C ATOM 1569 C LYS A 96 -12.760 10.650 7.013 1.00 0.58 C ATOM 1570 O LYS A 96 -12.293 9.771 6.291 1.00 0.55 O ATOM 1571 CB LYS A 96 -11.710 12.767 6.028 1.00 1.05 C ATOM 1572 CG LYS A 96 -10.982 12.139 4.833 1.00 1.79 C ATOM 1573 CD LYS A 96 -9.623 11.588 5.262 1.00 3.08 C ATOM 1574 CE LYS A 96 -8.594 11.431 4.133 1.00 5.06 C ATOM 1575 NZ LYS A 96 -7.339 12.158 4.440 1.00 5.15 N ATOM 0 H LYS A 96 -10.436 10.485 7.630 1.00 0.58 H new ATOM 0 HA LYS A 96 -12.452 12.556 7.957 1.00 0.72 H new ATOM 0 HB2 LYS A 96 -12.688 13.105 5.685 1.00 1.05 H new ATOM 0 HB3 LYS A 96 -11.154 13.654 6.331 1.00 1.05 H new ATOM 0 HG2 LYS A 96 -11.589 11.338 4.410 1.00 1.79 H new ATOM 0 HG3 LYS A 96 -10.848 12.884 4.049 1.00 1.79 H new ATOM 0 HD2 LYS A 96 -9.206 12.247 6.023 1.00 3.08 H new ATOM 0 HD3 LYS A 96 -9.775 10.616 5.731 1.00 3.08 H new ATOM 0 HE2 LYS A 96 -8.376 10.374 3.982 1.00 5.06 H new ATOM 0 HE3 LYS A 96 -9.015 11.806 3.200 1.00 5.06 H new ATOM 0 HZ1 LYS A 96 -7.111 12.803 3.656 1.00 5.15 H new ATOM 0 HZ2 LYS A 96 -7.461 12.706 5.315 1.00 5.15 H new ATOM 0 HZ3 LYS A 96 -6.564 11.476 4.564 1.00 5.15 H new ATOM 1589 N PRO A 97 -13.973 10.538 7.567 1.00 0.54 N ATOM 1590 CA PRO A 97 -14.819 9.355 7.428 1.00 0.49 C ATOM 1591 C PRO A 97 -15.583 9.354 6.096 1.00 0.72 C ATOM 1592 O PRO A 97 -16.750 8.981 6.017 1.00 1.62 O ATOM 1593 CB PRO A 97 -15.739 9.436 8.644 1.00 0.57 C ATOM 1594 CG PRO A 97 -15.940 10.934 8.838 1.00 0.67 C ATOM 1595 CD PRO A 97 -14.551 11.479 8.513 1.00 0.60 C ATOM 0 HA PRO A 97 -14.255 8.422 7.402 1.00 0.49 H new ATOM 0 HB2 PRO A 97 -16.685 8.924 8.467 1.00 0.57 H new ATOM 0 HB3 PRO A 97 -15.286 8.975 9.522 1.00 0.57 H new ATOM 0 HG2 PRO A 97 -16.703 11.334 8.170 1.00 0.67 H new ATOM 0 HG3 PRO A 97 -16.247 11.177 9.855 1.00 0.67 H new ATOM 0 HD2 PRO A 97 -14.613 12.479 8.083 1.00 0.60 H new ATOM 0 HD3 PRO A 97 -13.940 11.556 9.412 1.00 0.60 H new ATOM 1603 N ALA A 98 -14.894 9.732 5.024 1.00 0.60 N ATOM 1604 CA ALA A 98 -15.404 9.937 3.680 1.00 0.49 C ATOM 1605 C ALA A 98 -14.511 9.218 2.672 1.00 0.44 C ATOM 1606 O ALA A 98 -15.021 8.617 1.728 1.00 0.67 O ATOM 1607 CB ALA A 98 -15.454 11.440 3.391 1.00 0.64 C ATOM 0 H ALA A 98 -13.892 9.915 5.080 1.00 0.60 H new ATOM 0 HA ALA A 98 -16.410 9.526 3.595 1.00 0.49 H new ATOM 0 HB1 ALA A 98 -15.836 11.604 2.383 1.00 0.64 H new ATOM 0 HB2 ALA A 98 -16.110 11.927 4.112 1.00 0.64 H new ATOM 0 HB3 ALA A 98 -14.451 11.860 3.472 1.00 0.64 H new ATOM 1613 N THR A 99 -13.187 9.278 2.874 1.00 0.46 N ATOM 1614 CA THR A 99 -12.230 8.522 2.090 1.00 0.52 C ATOM 1615 C THR A 99 -12.525 7.028 2.223 1.00 0.36 C ATOM 1616 O THR A 99 -13.188 6.595 3.170 1.00 0.42 O ATOM 1617 CB THR A 99 -10.812 8.869 2.570 1.00 0.69 C ATOM 1618 OG1 THR A 99 -9.889 8.589 1.560 1.00 0.72 O ATOM 1619 CG2 THR A 99 -10.371 8.076 3.799 1.00 0.68 C ATOM 0 H THR A 99 -12.758 9.860 3.594 1.00 0.46 H new ATOM 0 HA THR A 99 -12.308 8.780 1.034 1.00 0.52 H new ATOM 0 HB THR A 99 -10.842 9.927 2.829 1.00 0.69 H new ATOM 0 HG1 THR A 99 -8.987 8.813 1.870 1.00 0.72 H new ATOM 0 HG21 THR A 99 -9.361 8.373 4.081 1.00 0.68 H new ATOM 0 HG22 THR A 99 -11.052 8.277 4.626 1.00 0.68 H new ATOM 0 HG23 THR A 99 -10.385 7.011 3.569 1.00 0.68 H new ATOM 1627 N LYS A 100 -11.996 6.239 1.293 1.00 0.40 N ATOM 1628 CA LYS A 100 -12.171 4.797 1.257 1.00 0.29 C ATOM 1629 C LYS A 100 -10.844 4.185 0.828 1.00 0.23 C ATOM 1630 O LYS A 100 -9.828 4.872 0.708 1.00 0.23 O ATOM 1631 CB LYS A 100 -13.285 4.401 0.274 1.00 0.40 C ATOM 1632 CG LYS A 100 -14.683 4.952 0.589 1.00 1.45 C ATOM 1633 CD LYS A 100 -15.177 5.908 -0.505 1.00 1.76 C ATOM 1634 CE LYS A 100 -16.702 5.833 -0.601 1.00 2.26 C ATOM 1635 NZ LYS A 100 -17.172 6.252 -1.936 1.00 2.73 N ATOM 0 H LYS A 100 -11.422 6.595 0.529 1.00 0.40 H new ATOM 0 HA LYS A 100 -12.464 4.431 2.241 1.00 0.29 H new ATOM 0 HB2 LYS A 100 -12.999 4.736 -0.723 1.00 0.40 H new ATOM 0 HB3 LYS A 100 -13.343 3.313 0.240 1.00 0.40 H new ATOM 0 HG2 LYS A 100 -15.385 4.125 0.693 1.00 1.45 H new ATOM 0 HG3 LYS A 100 -14.661 5.474 1.546 1.00 1.45 H new ATOM 0 HD2 LYS A 100 -14.866 6.928 -0.278 1.00 1.76 H new ATOM 0 HD3 LYS A 100 -14.729 5.644 -1.463 1.00 1.76 H new ATOM 0 HE2 LYS A 100 -17.032 4.814 -0.399 1.00 2.26 H new ATOM 0 HE3 LYS A 100 -17.149 6.470 0.162 1.00 2.26 H new ATOM 0 HZ1 LYS A 100 -18.111 6.692 -1.851 1.00 2.73 H new ATOM 0 HZ2 LYS A 100 -16.503 6.939 -2.340 1.00 2.73 H new ATOM 0 HZ3 LYS A 100 -17.234 5.421 -2.559 1.00 2.73 H new ATOM 1649 N THR A 101 -10.834 2.875 0.609 1.00 0.26 N ATOM 1650 CA THR A 101 -9.626 2.175 0.241 1.00 0.30 C ATOM 1651 C THR A 101 -9.128 2.554 -1.142 1.00 0.25 C ATOM 1652 O THR A 101 -7.988 2.236 -1.453 1.00 0.26 O ATOM 1653 CB THR A 101 -9.874 0.680 0.261 1.00 0.41 C ATOM 1654 OG1 THR A 101 -11.084 0.451 -0.415 1.00 0.70 O ATOM 1655 CG2 THR A 101 -10.014 0.164 1.684 1.00 0.48 C ATOM 0 H THR A 101 -11.659 2.280 0.683 1.00 0.26 H new ATOM 0 HA THR A 101 -8.866 2.460 0.968 1.00 0.30 H new ATOM 0 HB THR A 101 -9.035 0.166 -0.208 1.00 0.41 H new ATOM 0 HG1 THR A 101 -11.420 -0.442 -0.191 1.00 0.70 H new ATOM 0 HG21 THR A 101 -10.191 -0.911 1.665 1.00 0.48 H new ATOM 0 HG22 THR A 101 -9.098 0.371 2.238 1.00 0.48 H new ATOM 0 HG23 THR A 101 -10.853 0.661 2.171 1.00 0.48 H new ATOM 1663 N ASP A 102 -9.928 3.210 -1.980 1.00 0.27 N ATOM 1664 CA ASP A 102 -9.444 3.722 -3.251 1.00 0.25 C ATOM 1665 C ASP A 102 -8.302 4.698 -2.986 1.00 0.26 C ATOM 1666 O ASP A 102 -7.218 4.554 -3.548 1.00 0.30 O ATOM 1667 CB ASP A 102 -10.596 4.361 -4.046 1.00 0.31 C ATOM 1668 CG ASP A 102 -11.089 5.666 -3.412 1.00 0.97 C ATOM 1669 OD1 ASP A 102 -11.092 6.710 -4.100 1.00 1.79 O ATOM 1670 OD2 ASP A 102 -11.366 5.623 -2.191 1.00 2.50 O ATOM 0 H ASP A 102 -10.914 3.397 -1.798 1.00 0.27 H new ATOM 0 HA ASP A 102 -9.059 2.909 -3.866 1.00 0.25 H new ATOM 0 HB2 ASP A 102 -10.265 4.558 -5.066 1.00 0.31 H new ATOM 0 HB3 ASP A 102 -11.425 3.656 -4.110 1.00 0.31 H new ATOM 1675 N GLN A 103 -8.515 5.653 -2.078 1.00 0.30 N ATOM 1676 CA GLN A 103 -7.536 6.673 -1.753 1.00 0.36 C ATOM 1677 C GLN A 103 -6.369 6.059 -1.009 1.00 0.33 C ATOM 1678 O GLN A 103 -5.235 6.497 -1.190 1.00 0.38 O ATOM 1679 CB GLN A 103 -8.173 7.817 -0.968 1.00 0.46 C ATOM 1680 CG GLN A 103 -9.409 8.306 -1.732 1.00 0.49 C ATOM 1681 CD GLN A 103 -9.936 9.671 -1.314 1.00 0.57 C ATOM 1682 OE1 GLN A 103 -9.336 10.395 -0.523 1.00 1.17 O ATOM 1683 NE2 GLN A 103 -11.112 10.022 -1.816 1.00 1.32 N ATOM 0 H GLN A 103 -9.382 5.734 -1.547 1.00 0.30 H new ATOM 0 HA GLN A 103 -7.155 7.100 -2.681 1.00 0.36 H new ATOM 0 HB2 GLN A 103 -8.454 7.481 0.030 1.00 0.46 H new ATOM 0 HB3 GLN A 103 -7.460 8.632 -0.841 1.00 0.46 H new ATOM 0 HG2 GLN A 103 -9.169 8.338 -2.795 1.00 0.49 H new ATOM 0 HG3 GLN A 103 -10.206 7.573 -1.607 1.00 0.49 H new ATOM 0 HE21 GLN A 103 -11.592 9.405 -2.471 1.00 1.32 H new ATOM 0 HE22 GLN A 103 -11.537 10.909 -1.547 1.00 1.32 H new ATOM 1692 N VAL A 104 -6.625 5.042 -0.189 1.00 0.28 N ATOM 1693 CA VAL A 104 -5.557 4.373 0.527 1.00 0.23 C ATOM 1694 C VAL A 104 -4.613 3.685 -0.457 1.00 0.20 C ATOM 1695 O VAL A 104 -3.418 3.972 -0.477 1.00 0.20 O ATOM 1696 CB VAL A 104 -6.158 3.398 1.542 1.00 0.24 C ATOM 1697 CG1 VAL A 104 -5.042 2.626 2.216 1.00 0.21 C ATOM 1698 CG2 VAL A 104 -6.925 4.171 2.616 1.00 0.25 C ATOM 0 H VAL A 104 -7.558 4.670 -0.009 1.00 0.28 H new ATOM 0 HA VAL A 104 -4.962 5.101 1.079 1.00 0.23 H new ATOM 0 HB VAL A 104 -6.833 2.718 1.022 1.00 0.24 H new ATOM 0 HG11 VAL A 104 -5.466 1.930 2.940 1.00 0.21 H new ATOM 0 HG12 VAL A 104 -4.479 2.071 1.466 1.00 0.21 H new ATOM 0 HG13 VAL A 104 -4.376 3.321 2.728 1.00 0.21 H new ATOM 0 HG21 VAL A 104 -7.350 3.470 3.335 1.00 0.25 H new ATOM 0 HG22 VAL A 104 -6.246 4.851 3.130 1.00 0.25 H new ATOM 0 HG23 VAL A 104 -7.727 4.743 2.150 1.00 0.25 H new ATOM 1708 N ILE A 105 -5.149 2.770 -1.259 1.00 0.18 N ATOM 1709 CA ILE A 105 -4.390 1.918 -2.157 1.00 0.15 C ATOM 1710 C ILE A 105 -3.635 2.783 -3.141 1.00 0.18 C ATOM 1711 O ILE A 105 -2.425 2.627 -3.288 1.00 0.18 O ATOM 1712 CB ILE A 105 -5.329 0.911 -2.855 1.00 0.15 C ATOM 1713 CG1 ILE A 105 -5.593 -0.262 -1.901 1.00 0.17 C ATOM 1714 CG2 ILE A 105 -4.822 0.372 -4.202 1.00 0.14 C ATOM 1715 CD1 ILE A 105 -4.315 -0.985 -1.435 1.00 0.20 C ATOM 0 H ILE A 105 -6.154 2.599 -1.300 1.00 0.18 H new ATOM 0 HA ILE A 105 -3.660 1.333 -1.597 1.00 0.15 H new ATOM 0 HB ILE A 105 -6.240 1.461 -3.090 1.00 0.15 H new ATOM 0 HG12 ILE A 105 -6.130 0.107 -1.027 1.00 0.17 H new ATOM 0 HG13 ILE A 105 -6.246 -0.981 -2.396 1.00 0.17 H new ATOM 0 HG21 ILE A 105 -5.551 -0.327 -4.612 1.00 0.14 H new ATOM 0 HG22 ILE A 105 -4.683 1.201 -4.897 1.00 0.14 H new ATOM 0 HG23 ILE A 105 -3.871 -0.140 -4.054 1.00 0.14 H new ATOM 0 HD11 ILE A 105 -4.583 -1.801 -0.764 1.00 0.20 H new ATOM 0 HD12 ILE A 105 -3.787 -1.385 -2.301 1.00 0.20 H new ATOM 0 HD13 ILE A 105 -3.669 -0.281 -0.910 1.00 0.20 H new ATOM 1727 N GLN A 106 -4.338 3.709 -3.798 1.00 0.22 N ATOM 1728 CA GLN A 106 -3.677 4.616 -4.721 1.00 0.26 C ATOM 1729 C GLN A 106 -2.564 5.378 -4.008 1.00 0.25 C ATOM 1730 O GLN A 106 -1.571 5.687 -4.645 1.00 0.28 O ATOM 1731 CB GLN A 106 -4.670 5.532 -5.455 1.00 0.37 C ATOM 1732 CG GLN A 106 -5.245 6.660 -4.594 1.00 0.60 C ATOM 1733 CD GLN A 106 -4.330 7.878 -4.464 1.00 1.23 C ATOM 1734 OE1 GLN A 106 -3.896 8.451 -5.453 1.00 1.94 O ATOM 1735 NE2 GLN A 106 -4.030 8.304 -3.242 1.00 2.04 N ATOM 0 H GLN A 106 -5.345 3.845 -3.707 1.00 0.22 H new ATOM 0 HA GLN A 106 -3.210 4.023 -5.508 1.00 0.26 H new ATOM 0 HB2 GLN A 106 -4.171 5.970 -6.320 1.00 0.37 H new ATOM 0 HB3 GLN A 106 -5.492 4.926 -5.835 1.00 0.37 H new ATOM 0 HG2 GLN A 106 -6.196 6.978 -5.020 1.00 0.60 H new ATOM 0 HG3 GLN A 106 -5.456 6.270 -3.598 1.00 0.60 H new ATOM 0 HE21 GLN A 106 -4.400 7.815 -2.427 1.00 2.04 H new ATOM 0 HE22 GLN A 106 -3.430 9.120 -3.119 1.00 2.04 H new ATOM 1744 N SER A 107 -2.681 5.657 -2.704 1.00 0.22 N ATOM 1745 CA SER A 107 -1.603 6.263 -1.945 1.00 0.22 C ATOM 1746 C SER A 107 -0.407 5.329 -1.883 1.00 0.18 C ATOM 1747 O SER A 107 0.683 5.772 -2.219 1.00 0.20 O ATOM 1748 CB SER A 107 -2.023 6.661 -0.526 1.00 0.24 C ATOM 1749 OG SER A 107 -1.562 7.965 -0.228 1.00 0.50 O ATOM 0 H SER A 107 -3.521 5.468 -2.158 1.00 0.22 H new ATOM 0 HA SER A 107 -1.331 7.178 -2.471 1.00 0.22 H new ATOM 0 HB2 SER A 107 -3.109 6.622 -0.436 1.00 0.24 H new ATOM 0 HB3 SER A 107 -1.617 5.950 0.194 1.00 0.24 H new ATOM 0 HG SER A 107 -1.393 8.040 0.734 1.00 0.50 H new ATOM 1755 N LEU A 108 -0.545 4.065 -1.454 1.00 0.17 N ATOM 1756 CA LEU A 108 0.639 3.212 -1.394 1.00 0.17 C ATOM 1757 C LEU A 108 1.292 3.167 -2.758 1.00 0.18 C ATOM 1758 O LEU A 108 2.495 3.323 -2.852 1.00 0.19 O ATOM 1759 CB LEU A 108 0.364 1.758 -1.000 1.00 0.17 C ATOM 1760 CG LEU A 108 -0.043 1.488 0.447 1.00 0.17 C ATOM 1761 CD1 LEU A 108 0.517 2.502 1.440 1.00 0.13 C ATOM 1762 CD2 LEU A 108 -1.553 1.380 0.583 1.00 0.22 C ATOM 0 H LEU A 108 -1.420 3.632 -1.158 1.00 0.17 H new ATOM 0 HA LEU A 108 1.268 3.657 -0.623 1.00 0.17 H new ATOM 0 HB2 LEU A 108 -0.424 1.376 -1.649 1.00 0.17 H new ATOM 0 HB3 LEU A 108 1.261 1.176 -1.212 1.00 0.17 H new ATOM 0 HG LEU A 108 0.405 0.529 0.705 1.00 0.17 H new ATOM 0 HD11 LEU A 108 0.186 2.246 2.447 1.00 0.13 H new ATOM 0 HD12 LEU A 108 1.606 2.486 1.401 1.00 0.13 H new ATOM 0 HD13 LEU A 108 0.159 3.499 1.183 1.00 0.13 H new ATOM 0 HD21 LEU A 108 -1.812 1.188 1.624 1.00 0.22 H new ATOM 0 HD22 LEU A 108 -2.015 2.313 0.261 1.00 0.22 H new ATOM 0 HD23 LEU A 108 -1.917 0.562 -0.038 1.00 0.22 H new ATOM 1774 N ILE A 109 0.522 2.957 -3.814 1.00 0.18 N ATOM 1775 CA ILE A 109 1.069 2.910 -5.155 1.00 0.19 C ATOM 1776 C ILE A 109 1.741 4.235 -5.506 1.00 0.20 C ATOM 1777 O ILE A 109 2.788 4.236 -6.137 1.00 0.33 O ATOM 1778 CB ILE A 109 -0.061 2.545 -6.117 1.00 0.21 C ATOM 1779 CG1 ILE A 109 -0.419 1.072 -5.882 1.00 0.25 C ATOM 1780 CG2 ILE A 109 0.359 2.720 -7.574 1.00 0.20 C ATOM 1781 CD1 ILE A 109 -1.885 0.815 -6.216 1.00 0.29 C ATOM 0 H ILE A 109 -0.487 2.816 -3.765 1.00 0.18 H new ATOM 0 HA ILE A 109 1.847 2.150 -5.231 1.00 0.19 H new ATOM 0 HB ILE A 109 -0.909 3.204 -5.930 1.00 0.21 H new ATOM 0 HG12 ILE A 109 0.217 0.435 -6.497 1.00 0.25 H new ATOM 0 HG13 ILE A 109 -0.225 0.807 -4.843 1.00 0.25 H new ATOM 0 HG21 ILE A 109 -0.471 2.451 -8.227 1.00 0.20 H new ATOM 0 HG22 ILE A 109 0.637 3.759 -7.750 1.00 0.20 H new ATOM 0 HG23 ILE A 109 1.212 2.075 -7.787 1.00 0.20 H new ATOM 0 HD11 ILE A 109 -2.119 -0.235 -6.043 1.00 0.29 H new ATOM 0 HD12 ILE A 109 -2.517 1.437 -5.582 1.00 0.29 H new ATOM 0 HD13 ILE A 109 -2.068 1.060 -7.262 1.00 0.29 H new ATOM 1793 N ALA A 110 1.153 5.360 -5.118 1.00 0.22 N ATOM 1794 CA ALA A 110 1.631 6.691 -5.448 1.00 0.23 C ATOM 1795 C ALA A 110 2.960 6.980 -4.763 1.00 0.20 C ATOM 1796 O ALA A 110 3.801 7.645 -5.345 1.00 0.20 O ATOM 1797 CB ALA A 110 0.574 7.728 -5.050 1.00 0.24 C ATOM 0 H ALA A 110 0.307 5.368 -4.549 1.00 0.22 H new ATOM 0 HA ALA A 110 1.798 6.749 -6.524 1.00 0.23 H new ATOM 0 HB1 ALA A 110 0.933 8.727 -5.298 1.00 0.24 H new ATOM 0 HB2 ALA A 110 -0.351 7.530 -5.591 1.00 0.24 H new ATOM 0 HB3 ALA A 110 0.388 7.665 -3.978 1.00 0.24 H new ATOM 1803 N LEU A 111 3.152 6.492 -3.540 1.00 0.18 N ATOM 1804 CA LEU A 111 4.338 6.723 -2.729 1.00 0.18 C ATOM 1805 C LEU A 111 5.436 5.724 -3.086 1.00 0.22 C ATOM 1806 O LEU A 111 6.611 6.053 -3.179 1.00 0.37 O ATOM 1807 CB LEU A 111 3.950 6.580 -1.248 1.00 0.18 C ATOM 1808 CG LEU A 111 3.389 7.849 -0.580 1.00 0.18 C ATOM 1809 CD1 LEU A 111 3.961 9.149 -1.132 1.00 0.35 C ATOM 1810 CD2 LEU A 111 1.864 7.941 -0.645 1.00 0.24 C ATOM 0 H LEU A 111 2.461 5.905 -3.073 1.00 0.18 H new ATOM 0 HA LEU A 111 4.723 7.725 -2.919 1.00 0.18 H new ATOM 0 HB2 LEU A 111 3.207 5.787 -1.161 1.00 0.18 H new ATOM 0 HB3 LEU A 111 4.829 6.256 -0.691 1.00 0.18 H new ATOM 0 HG LEU A 111 3.707 7.739 0.457 1.00 0.18 H new ATOM 0 HD11 LEU A 111 3.514 9.994 -0.608 1.00 0.35 H new ATOM 0 HD12 LEU A 111 5.041 9.162 -0.987 1.00 0.35 H new ATOM 0 HD13 LEU A 111 3.737 9.222 -2.196 1.00 0.35 H new ATOM 0 HD21 LEU A 111 1.534 8.858 -0.157 1.00 0.24 H new ATOM 0 HD22 LEU A 111 1.544 7.949 -1.687 1.00 0.24 H new ATOM 0 HD23 LEU A 111 1.426 7.082 -0.138 1.00 0.24 H new ATOM 1822 N VAL A 112 5.057 4.469 -3.266 1.00 0.23 N ATOM 1823 CA VAL A 112 5.943 3.404 -3.687 1.00 0.24 C ATOM 1824 C VAL A 112 6.460 3.727 -5.095 1.00 0.27 C ATOM 1825 O VAL A 112 7.627 3.487 -5.399 1.00 0.37 O ATOM 1826 CB VAL A 112 5.190 2.068 -3.582 1.00 0.23 C ATOM 1827 CG1 VAL A 112 6.014 0.888 -4.077 1.00 0.31 C ATOM 1828 CG2 VAL A 112 4.861 1.732 -2.118 1.00 0.25 C ATOM 0 H VAL A 112 4.097 4.158 -3.118 1.00 0.23 H new ATOM 0 HA VAL A 112 6.820 3.316 -3.046 1.00 0.24 H new ATOM 0 HB VAL A 112 4.297 2.204 -4.192 1.00 0.23 H new ATOM 0 HG11 VAL A 112 5.432 -0.029 -3.979 1.00 0.31 H new ATOM 0 HG12 VAL A 112 6.277 1.041 -5.124 1.00 0.31 H new ATOM 0 HG13 VAL A 112 6.924 0.805 -3.483 1.00 0.31 H new ATOM 0 HG21 VAL A 112 4.328 0.782 -2.074 1.00 0.25 H new ATOM 0 HG22 VAL A 112 5.785 1.657 -1.545 1.00 0.25 H new ATOM 0 HG23 VAL A 112 4.236 2.519 -1.696 1.00 0.25 H new ATOM 1838 N ASN A 113 5.614 4.289 -5.958 1.00 0.24 N ATOM 1839 CA ASN A 113 6.042 4.731 -7.275 1.00 0.26 C ATOM 1840 C ASN A 113 6.854 6.018 -7.159 1.00 0.28 C ATOM 1841 O ASN A 113 7.914 6.115 -7.771 1.00 0.37 O ATOM 1842 CB ASN A 113 4.859 4.904 -8.245 1.00 0.33 C ATOM 1843 CG ASN A 113 4.348 3.567 -8.784 1.00 1.05 C ATOM 1844 OD1 ASN A 113 5.104 2.605 -8.867 1.00 2.15 O ATOM 1845 ND2 ASN A 113 3.097 3.495 -9.222 1.00 1.54 N ATOM 0 H ASN A 113 4.625 4.447 -5.763 1.00 0.24 H new ATOM 0 HA ASN A 113 6.677 3.951 -7.696 1.00 0.26 H new ATOM 0 HB2 ASN A 113 4.047 5.421 -7.735 1.00 0.33 H new ATOM 0 HB3 ASN A 113 5.165 5.536 -9.079 1.00 0.33 H new ATOM 0 HD21 ASN A 113 2.751 2.629 -9.636 1.00 1.54 H new ATOM 0 HD22 ASN A 113 2.482 4.305 -9.145 1.00 1.54 H new ATOM 1852 N ASP A 114 6.366 6.998 -6.397 1.00 0.27 N ATOM 1853 CA ASP A 114 6.993 8.312 -6.275 1.00 0.37 C ATOM 1854 C ASP A 114 7.071 8.729 -4.802 1.00 0.32 C ATOM 1855 O ASP A 114 6.150 9.345 -4.262 1.00 0.29 O ATOM 1856 CB ASP A 114 6.229 9.343 -7.115 1.00 0.50 C ATOM 1857 CG ASP A 114 7.004 10.659 -7.199 1.00 0.81 C ATOM 1858 OD1 ASP A 114 8.229 10.625 -6.931 1.00 1.04 O ATOM 1859 OD2 ASP A 114 6.377 11.671 -7.582 1.00 1.25 O ATOM 0 H ASP A 114 5.516 6.899 -5.842 1.00 0.27 H new ATOM 0 HA ASP A 114 8.012 8.260 -6.658 1.00 0.37 H new ATOM 0 HB2 ASP A 114 6.062 8.950 -8.118 1.00 0.50 H new ATOM 0 HB3 ASP A 114 5.248 9.521 -6.675 1.00 0.50 H new ATOM 1864 N PRO A 115 8.143 8.349 -4.097 1.00 0.34 N ATOM 1865 CA PRO A 115 8.224 8.523 -2.658 1.00 0.29 C ATOM 1866 C PRO A 115 8.561 9.966 -2.307 1.00 0.33 C ATOM 1867 O PRO A 115 9.437 10.574 -2.913 1.00 0.59 O ATOM 1868 CB PRO A 115 9.332 7.569 -2.209 1.00 0.36 C ATOM 1869 CG PRO A 115 10.240 7.487 -3.431 1.00 0.46 C ATOM 1870 CD PRO A 115 9.257 7.568 -4.596 1.00 0.41 C ATOM 0 HA PRO A 115 7.278 8.306 -2.161 1.00 0.29 H new ATOM 0 HB2 PRO A 115 9.864 7.951 -1.338 1.00 0.36 H new ATOM 0 HB3 PRO A 115 8.935 6.591 -1.936 1.00 0.36 H new ATOM 0 HG2 PRO A 115 10.961 8.304 -3.454 1.00 0.46 H new ATOM 0 HG3 PRO A 115 10.810 6.558 -3.448 1.00 0.46 H new ATOM 0 HD2 PRO A 115 9.713 8.043 -5.465 1.00 0.41 H new ATOM 0 HD3 PRO A 115 8.934 6.575 -4.909 1.00 0.41 H new ATOM 1878 N GLN A 116 7.905 10.494 -1.271 1.00 0.21 N ATOM 1879 CA GLN A 116 8.095 11.859 -0.806 1.00 0.27 C ATOM 1880 C GLN A 116 9.208 11.892 0.256 1.00 0.28 C ATOM 1881 O GLN A 116 8.998 11.398 1.362 1.00 0.50 O ATOM 1882 CB GLN A 116 6.729 12.386 -0.301 1.00 0.34 C ATOM 1883 CG GLN A 116 6.241 11.774 1.029 1.00 2.16 C ATOM 1884 CD GLN A 116 4.747 11.948 1.299 1.00 2.22 C ATOM 1885 OE1 GLN A 116 3.946 12.197 0.409 1.00 2.26 O ATOM 1886 NE2 GLN A 116 4.327 11.724 2.538 1.00 2.94 N ATOM 0 H GLN A 116 7.218 9.972 -0.727 1.00 0.21 H new ATOM 0 HA GLN A 116 8.427 12.521 -1.606 1.00 0.27 H new ATOM 0 HB2 GLN A 116 6.796 13.467 -0.182 1.00 0.34 H new ATOM 0 HB3 GLN A 116 5.978 12.196 -1.068 1.00 0.34 H new ATOM 0 HG2 GLN A 116 6.476 10.710 1.032 1.00 2.16 H new ATOM 0 HG3 GLN A 116 6.800 12.226 1.848 1.00 2.16 H new ATOM 0 HE21 GLN A 116 5.001 11.517 3.275 1.00 2.94 H new ATOM 0 HE22 GLN A 116 3.330 11.759 2.753 1.00 2.94 H new ATOM 1895 N PRO A 117 10.406 12.441 -0.018 1.00 0.31 N ATOM 1896 CA PRO A 117 11.450 12.565 0.992 1.00 0.35 C ATOM 1897 C PRO A 117 11.267 13.799 1.885 1.00 0.50 C ATOM 1898 O PRO A 117 12.097 14.042 2.754 1.00 0.82 O ATOM 1899 CB PRO A 117 12.766 12.615 0.210 1.00 0.44 C ATOM 1900 CG PRO A 117 12.342 13.347 -1.065 1.00 0.57 C ATOM 1901 CD PRO A 117 10.935 12.803 -1.322 1.00 0.45 C ATOM 0 HA PRO A 117 11.423 11.725 1.686 1.00 0.35 H new ATOM 0 HB2 PRO A 117 13.544 13.153 0.752 1.00 0.44 H new ATOM 0 HB3 PRO A 117 13.155 11.619 -0.000 1.00 0.44 H new ATOM 0 HG2 PRO A 117 12.338 14.428 -0.927 1.00 0.57 H new ATOM 0 HG3 PRO A 117 13.015 13.134 -1.896 1.00 0.57 H new ATOM 0 HD2 PRO A 117 10.308 13.553 -1.804 1.00 0.45 H new ATOM 0 HD3 PRO A 117 10.965 11.939 -1.985 1.00 0.45 H new ATOM 1909 N GLU A 118 10.187 14.566 1.702 1.00 0.38 N ATOM 1910 CA GLU A 118 9.878 15.768 2.466 1.00 0.44 C ATOM 1911 C GLU A 118 9.817 15.478 3.969 1.00 0.41 C ATOM 1912 O GLU A 118 10.449 16.171 4.762 1.00 0.63 O ATOM 1913 CB GLU A 118 8.576 16.389 1.924 1.00 0.52 C ATOM 1914 CG GLU A 118 7.372 15.435 2.036 1.00 2.40 C ATOM 1915 CD GLU A 118 6.113 15.908 1.312 1.00 2.97 C ATOM 1916 OE1 GLU A 118 6.253 16.674 0.335 1.00 2.79 O ATOM 1917 OE2 GLU A 118 5.028 15.441 1.729 1.00 4.38 O ATOM 0 H GLU A 118 9.484 14.356 0.993 1.00 0.38 H new ATOM 0 HA GLU A 118 10.679 16.496 2.341 1.00 0.44 H new ATOM 0 HB2 GLU A 118 8.360 17.306 2.472 1.00 0.52 H new ATOM 0 HB3 GLU A 118 8.718 16.667 0.880 1.00 0.52 H new ATOM 0 HG2 GLU A 118 7.659 14.461 1.639 1.00 2.40 H new ATOM 0 HG3 GLU A 118 7.136 15.292 3.091 1.00 2.40 H new ATOM 1924 N HIS A 119 9.045 14.464 4.359 1.00 0.32 N ATOM 1925 CA HIS A 119 8.878 14.024 5.737 1.00 0.33 C ATOM 1926 C HIS A 119 8.123 12.687 5.751 1.00 0.30 C ATOM 1927 O HIS A 119 6.961 12.616 6.153 1.00 0.31 O ATOM 1928 CB HIS A 119 8.165 15.113 6.559 1.00 0.41 C ATOM 1929 CG HIS A 119 6.972 15.742 5.883 1.00 0.82 C ATOM 1930 ND1 HIS A 119 5.835 15.089 5.469 1.00 2.05 N ATOM 1931 CD2 HIS A 119 6.861 17.053 5.504 1.00 1.47 C ATOM 1932 CE1 HIS A 119 5.064 15.986 4.828 1.00 2.32 C ATOM 1933 NE2 HIS A 119 5.638 17.201 4.847 1.00 1.82 N ATOM 0 H HIS A 119 8.501 13.909 3.698 1.00 0.32 H new ATOM 0 HA HIS A 119 9.850 13.863 6.204 1.00 0.33 H new ATOM 0 HB2 HIS A 119 7.841 14.679 7.505 1.00 0.41 H new ATOM 0 HB3 HIS A 119 8.884 15.897 6.797 1.00 0.41 H new ATOM 0 HD1 HIS A 119 5.616 14.104 5.620 1.00 2.05 H new ATOM 0 HD2 HIS A 119 7.588 17.832 5.681 1.00 1.47 H new ATOM 0 HE1 HIS A 119 4.116 15.761 4.363 1.00 2.32 H new ATOM 1941 N PRO A 120 8.752 11.616 5.256 1.00 0.28 N ATOM 1942 CA PRO A 120 8.180 10.280 5.261 1.00 0.27 C ATOM 1943 C PRO A 120 8.413 9.589 6.612 1.00 0.29 C ATOM 1944 O PRO A 120 8.947 10.190 7.540 1.00 0.35 O ATOM 1945 CB PRO A 120 8.913 9.571 4.128 1.00 0.29 C ATOM 1946 CG PRO A 120 10.306 10.186 4.187 1.00 0.29 C ATOM 1947 CD PRO A 120 10.035 11.633 4.577 1.00 0.26 C ATOM 0 HA PRO A 120 7.099 10.276 5.121 1.00 0.27 H new ATOM 0 HB2 PRO A 120 8.941 8.492 4.278 1.00 0.29 H new ATOM 0 HB3 PRO A 120 8.434 9.747 3.165 1.00 0.29 H new ATOM 0 HG2 PRO A 120 10.937 9.683 4.920 1.00 0.29 H new ATOM 0 HG3 PRO A 120 10.817 10.117 3.227 1.00 0.29 H new ATOM 0 HD2 PRO A 120 10.819 12.018 5.229 1.00 0.26 H new ATOM 0 HD3 PRO A 120 10.006 12.278 3.699 1.00 0.26 H new ATOM 1955 N LEU A 121 8.028 8.311 6.717 1.00 0.25 N ATOM 1956 CA LEU A 121 8.162 7.517 7.936 1.00 0.26 C ATOM 1957 C LEU A 121 9.627 7.395 8.338 1.00 0.28 C ATOM 1958 O LEU A 121 9.995 7.692 9.471 1.00 0.36 O ATOM 1959 CB LEU A 121 7.545 6.119 7.735 1.00 0.24 C ATOM 1960 CG LEU A 121 6.309 5.927 8.616 1.00 0.26 C ATOM 1961 CD1 LEU A 121 5.529 4.703 8.143 1.00 0.55 C ATOM 1962 CD2 LEU A 121 6.684 5.749 10.087 1.00 0.52 C ATOM 0 H LEU A 121 7.609 7.795 5.943 1.00 0.25 H new ATOM 0 HA LEU A 121 7.625 8.024 8.738 1.00 0.26 H new ATOM 0 HB2 LEU A 121 7.273 5.986 6.688 1.00 0.24 H new ATOM 0 HB3 LEU A 121 8.285 5.355 7.971 1.00 0.24 H new ATOM 0 HG LEU A 121 5.696 6.824 8.529 1.00 0.26 H new ATOM 0 HD11 LEU A 121 4.649 4.567 8.771 1.00 0.55 H new ATOM 0 HD12 LEU A 121 5.218 4.847 7.108 1.00 0.55 H new ATOM 0 HD13 LEU A 121 6.163 3.819 8.211 1.00 0.55 H new ATOM 0 HD21 LEU A 121 5.779 5.616 10.680 1.00 0.52 H new ATOM 0 HD22 LEU A 121 7.322 4.872 10.196 1.00 0.52 H new ATOM 0 HD23 LEU A 121 7.219 6.632 10.436 1.00 0.52 H new ATOM 1974 N ARG A 122 10.465 6.944 7.406 1.00 0.26 N ATOM 1975 CA ARG A 122 11.899 6.868 7.607 1.00 0.29 C ATOM 1976 C ARG A 122 12.560 7.824 6.641 1.00 0.29 C ATOM 1977 O ARG A 122 12.781 7.473 5.482 1.00 0.28 O ATOM 1978 CB ARG A 122 12.410 5.441 7.389 1.00 0.34 C ATOM 1979 CG ARG A 122 12.086 4.561 8.605 1.00 0.40 C ATOM 1980 CD ARG A 122 13.049 3.365 8.693 1.00 0.64 C ATOM 1981 NE ARG A 122 13.695 3.246 10.006 1.00 1.74 N ATOM 1982 CZ ARG A 122 14.547 4.118 10.558 1.00 1.27 C ATOM 1983 NH1 ARG A 122 15.058 3.878 11.764 1.00 2.43 N ATOM 1984 NH2 ARG A 122 14.884 5.226 9.900 1.00 2.21 N ATOM 0 H ARG A 122 10.160 6.621 6.488 1.00 0.26 H new ATOM 0 HA ARG A 122 12.142 7.143 8.633 1.00 0.29 H new ATOM 0 HB2 ARG A 122 11.953 5.018 6.495 1.00 0.34 H new ATOM 0 HB3 ARG A 122 13.487 5.456 7.220 1.00 0.34 H new ATOM 0 HG2 ARG A 122 12.154 5.155 9.516 1.00 0.40 H new ATOM 0 HG3 ARG A 122 11.059 4.201 8.535 1.00 0.40 H new ATOM 0 HD2 ARG A 122 12.501 2.447 8.479 1.00 0.64 H new ATOM 0 HD3 ARG A 122 13.815 3.465 7.924 1.00 0.64 H new ATOM 0 HE ARG A 122 13.472 2.414 10.553 1.00 1.74 H new ATOM 0 HH11 ARG A 122 14.800 3.029 12.267 1.00 2.43 H new ATOM 0 HH12 ARG A 122 15.707 4.543 12.184 1.00 2.43 H new ATOM 0 HH21 ARG A 122 14.493 5.409 8.976 1.00 2.21 H new ATOM 0 HH22 ARG A 122 15.533 5.891 10.320 1.00 2.21 H new ATOM 1998 N ALA A 123 12.913 9.011 7.128 1.00 0.35 N ATOM 1999 CA ALA A 123 13.646 9.977 6.333 1.00 0.35 C ATOM 2000 C ALA A 123 14.900 9.340 5.735 1.00 0.34 C ATOM 2001 O ALA A 123 15.229 9.645 4.601 1.00 0.31 O ATOM 2002 CB ALA A 123 13.990 11.207 7.176 1.00 0.39 C ATOM 0 H ALA A 123 12.699 9.323 8.075 1.00 0.35 H new ATOM 0 HA ALA A 123 13.015 10.303 5.506 1.00 0.35 H new ATOM 0 HB1 ALA A 123 14.540 11.924 6.566 1.00 0.39 H new ATOM 0 HB2 ALA A 123 13.071 11.668 7.538 1.00 0.39 H new ATOM 0 HB3 ALA A 123 14.604 10.906 8.025 1.00 0.39 H new ATOM 2008 N ASP A 124 15.571 8.433 6.450 1.00 0.40 N ATOM 2009 CA ASP A 124 16.795 7.769 5.995 1.00 0.39 C ATOM 2010 C ASP A 124 16.610 7.074 4.648 1.00 0.35 C ATOM 2011 O ASP A 124 17.402 7.272 3.729 1.00 0.39 O ATOM 2012 CB ASP A 124 17.241 6.711 7.019 1.00 0.58 C ATOM 2013 CG ASP A 124 17.343 7.249 8.441 1.00 1.23 C ATOM 2014 OD1 ASP A 124 18.475 7.506 8.896 1.00 2.03 O ATOM 2015 OD2 ASP A 124 16.257 7.365 9.061 1.00 2.68 O ATOM 0 H ASP A 124 15.273 8.134 7.379 1.00 0.40 H new ATOM 0 HA ASP A 124 17.549 8.549 5.889 1.00 0.39 H new ATOM 0 HB2 ASP A 124 16.535 5.880 7.003 1.00 0.58 H new ATOM 0 HB3 ASP A 124 18.210 6.312 6.719 1.00 0.58 H new ATOM 2020 N LEU A 125 15.567 6.253 4.502 1.00 0.32 N ATOM 2021 CA LEU A 125 15.288 5.582 3.236 1.00 0.35 C ATOM 2022 C LEU A 125 15.083 6.620 2.126 1.00 0.32 C ATOM 2023 O LEU A 125 15.365 6.368 0.956 1.00 0.42 O ATOM 2024 CB LEU A 125 14.052 4.680 3.384 1.00 0.36 C ATOM 2025 CG LEU A 125 14.326 3.246 3.852 1.00 0.68 C ATOM 2026 CD1 LEU A 125 15.115 2.454 2.812 1.00 2.43 C ATOM 2027 CD2 LEU A 125 15.044 3.214 5.199 1.00 1.63 C ATOM 0 H LEU A 125 14.904 6.039 5.247 1.00 0.32 H new ATOM 0 HA LEU A 125 16.138 4.956 2.963 1.00 0.35 H new ATOM 0 HB2 LEU A 125 13.366 5.148 4.090 1.00 0.36 H new ATOM 0 HB3 LEU A 125 13.540 4.637 2.423 1.00 0.36 H new ATOM 0 HG LEU A 125 13.353 2.770 3.977 1.00 0.68 H new ATOM 0 HD11 LEU A 125 15.289 1.443 3.180 1.00 2.43 H new ATOM 0 HD12 LEU A 125 14.548 2.409 1.882 1.00 2.43 H new ATOM 0 HD13 LEU A 125 16.072 2.944 2.630 1.00 2.43 H new ATOM 0 HD21 LEU A 125 15.219 2.179 5.494 1.00 1.63 H new ATOM 0 HD22 LEU A 125 15.999 3.734 5.115 1.00 1.63 H new ATOM 0 HD23 LEU A 125 14.428 3.706 5.951 1.00 1.63 H new ATOM 2039 N ALA A 126 14.562 7.789 2.497 1.00 0.24 N ATOM 2040 CA ALA A 126 14.300 8.893 1.597 1.00 0.23 C ATOM 2041 C ALA A 126 15.582 9.643 1.264 1.00 0.23 C ATOM 2042 O ALA A 126 15.691 10.205 0.183 1.00 0.24 O ATOM 2043 CB ALA A 126 13.271 9.829 2.228 1.00 0.24 C ATOM 0 H ALA A 126 14.306 7.992 3.463 1.00 0.24 H new ATOM 0 HA ALA A 126 13.900 8.500 0.663 1.00 0.23 H new ATOM 0 HB1 ALA A 126 13.073 10.661 1.552 1.00 0.24 H new ATOM 0 HB2 ALA A 126 12.346 9.282 2.412 1.00 0.24 H new ATOM 0 HB3 ALA A 126 13.659 10.213 3.171 1.00 0.24 H new ATOM 2049 N GLU A 127 16.548 9.664 2.177 1.00 0.25 N ATOM 2050 CA GLU A 127 17.855 10.235 1.938 1.00 0.28 C ATOM 2051 C GLU A 127 18.562 9.414 0.905 1.00 0.32 C ATOM 2052 O GLU A 127 18.946 9.950 -0.121 1.00 0.37 O ATOM 2053 CB GLU A 127 18.736 10.283 3.184 1.00 0.41 C ATOM 2054 CG GLU A 127 18.269 11.428 4.063 1.00 0.57 C ATOM 2055 CD GLU A 127 19.448 12.256 4.596 1.00 1.03 C ATOM 2056 OE1 GLU A 127 19.469 12.526 5.815 1.00 1.75 O ATOM 2057 OE2 GLU A 127 20.330 12.615 3.774 1.00 2.42 O ATOM 0 H GLU A 127 16.436 9.278 3.114 1.00 0.25 H new ATOM 0 HA GLU A 127 17.691 11.261 1.610 1.00 0.28 H new ATOM 0 HB2 GLU A 127 18.675 9.340 3.727 1.00 0.41 H new ATOM 0 HB3 GLU A 127 19.780 10.423 2.904 1.00 0.41 H new ATOM 0 HG2 GLU A 127 17.600 12.073 3.494 1.00 0.57 H new ATOM 0 HG3 GLU A 127 17.695 11.032 4.901 1.00 0.57 H new ATOM 2064 N GLU A 128 18.736 8.119 1.149 1.00 0.34 N ATOM 2065 CA GLU A 128 19.452 7.289 0.195 1.00 0.37 C ATOM 2066 C GLU A 128 18.807 7.406 -1.186 1.00 0.35 C ATOM 2067 O GLU A 128 19.502 7.392 -2.195 1.00 0.37 O ATOM 2068 CB GLU A 128 19.539 5.847 0.707 1.00 0.42 C ATOM 2069 CG GLU A 128 20.230 4.968 -0.352 1.00 0.81 C ATOM 2070 CD GLU A 128 21.052 3.800 0.195 1.00 1.23 C ATOM 2071 OE1 GLU A 128 22.287 3.996 0.305 1.00 2.39 O ATOM 2072 OE2 GLU A 128 20.481 2.699 0.368 1.00 2.57 O ATOM 0 H GLU A 128 18.399 7.633 1.980 1.00 0.34 H new ATOM 0 HA GLU A 128 20.479 7.640 0.091 1.00 0.37 H new ATOM 0 HB2 GLU A 128 20.097 5.815 1.643 1.00 0.42 H new ATOM 0 HB3 GLU A 128 18.541 5.464 0.918 1.00 0.42 H new ATOM 0 HG2 GLU A 128 19.468 4.570 -1.022 1.00 0.81 H new ATOM 0 HG3 GLU A 128 20.884 5.600 -0.953 1.00 0.81 H new ATOM 2079 N TYR A 129 17.491 7.619 -1.242 1.00 0.32 N ATOM 2080 CA TYR A 129 16.834 7.844 -2.527 1.00 0.33 C ATOM 2081 C TYR A 129 17.242 9.196 -3.115 1.00 0.31 C ATOM 2082 O TYR A 129 17.719 9.292 -4.242 1.00 0.33 O ATOM 2083 CB TYR A 129 15.310 7.795 -2.344 1.00 0.37 C ATOM 2084 CG TYR A 129 14.521 8.012 -3.623 1.00 0.82 C ATOM 2085 CD1 TYR A 129 14.685 7.122 -4.697 1.00 1.86 C ATOM 2086 CD2 TYR A 129 13.620 9.087 -3.744 1.00 1.98 C ATOM 2087 CE1 TYR A 129 13.935 7.271 -5.874 1.00 2.28 C ATOM 2088 CE2 TYR A 129 12.876 9.257 -4.928 1.00 2.40 C ATOM 2089 CZ TYR A 129 13.023 8.341 -5.995 1.00 2.05 C ATOM 2090 OH TYR A 129 12.302 8.484 -7.143 1.00 2.65 O ATOM 0 H TYR A 129 16.872 7.640 -0.431 1.00 0.32 H new ATOM 0 HA TYR A 129 17.144 7.060 -3.218 1.00 0.33 H new ATOM 0 HB2 TYR A 129 15.037 6.828 -1.922 1.00 0.37 H new ATOM 0 HB3 TYR A 129 15.018 8.553 -1.618 1.00 0.37 H new ATOM 0 HD1 TYR A 129 15.397 6.314 -4.616 1.00 1.86 H new ATOM 0 HD2 TYR A 129 13.499 9.783 -2.927 1.00 1.98 H new ATOM 0 HE1 TYR A 129 14.056 6.568 -6.685 1.00 2.28 H new ATOM 0 HE2 TYR A 129 12.192 10.088 -5.021 1.00 2.40 H new ATOM 0 HH TYR A 129 11.719 9.268 -7.068 1.00 2.65 H new ATOM 2100 N SER A 130 17.017 10.264 -2.360 1.00 0.32 N ATOM 2101 CA SER A 130 17.111 11.641 -2.820 1.00 0.35 C ATOM 2102 C SER A 130 18.558 12.032 -3.104 1.00 0.47 C ATOM 2103 O SER A 130 18.808 12.991 -3.831 1.00 0.86 O ATOM 2104 CB SER A 130 16.512 12.567 -1.755 1.00 0.40 C ATOM 2105 OG SER A 130 16.285 13.846 -2.314 1.00 0.72 O ATOM 0 H SER A 130 16.755 10.191 -1.377 1.00 0.32 H new ATOM 0 HA SER A 130 16.554 11.738 -3.752 1.00 0.35 H new ATOM 0 HB2 SER A 130 15.577 12.151 -1.381 1.00 0.40 H new ATOM 0 HB3 SER A 130 17.189 12.645 -0.904 1.00 0.40 H new ATOM 0 HG SER A 130 15.901 14.437 -1.633 1.00 0.72 H new ATOM 2111 N LYS A 131 19.494 11.323 -2.480 1.00 0.35 N ATOM 2112 CA LYS A 131 20.927 11.489 -2.581 1.00 0.45 C ATOM 2113 C LYS A 131 21.408 10.608 -3.726 1.00 0.44 C ATOM 2114 O LYS A 131 22.264 11.038 -4.494 1.00 0.59 O ATOM 2115 CB LYS A 131 21.573 11.084 -1.242 1.00 0.60 C ATOM 2116 CG LYS A 131 21.095 11.953 -0.060 1.00 1.36 C ATOM 2117 CD LYS A 131 21.879 13.261 0.104 1.00 1.28 C ATOM 2118 CE LYS A 131 23.033 13.096 1.100 1.00 1.95 C ATOM 2119 NZ LYS A 131 22.557 12.977 2.500 1.00 2.53 N ATOM 0 H LYS A 131 19.245 10.564 -1.846 1.00 0.35 H new ATOM 0 HA LYS A 131 21.204 12.524 -2.783 1.00 0.45 H new ATOM 0 HB2 LYS A 131 21.343 10.039 -1.035 1.00 0.60 H new ATOM 0 HB3 LYS A 131 22.657 11.161 -1.329 1.00 0.60 H new ATOM 0 HG2 LYS A 131 20.040 12.188 -0.197 1.00 1.36 H new ATOM 0 HG3 LYS A 131 21.176 11.374 0.860 1.00 1.36 H new ATOM 0 HD2 LYS A 131 22.272 13.576 -0.863 1.00 1.28 H new ATOM 0 HD3 LYS A 131 21.209 14.049 0.448 1.00 1.28 H new ATOM 0 HE2 LYS A 131 23.611 12.210 0.839 1.00 1.95 H new ATOM 0 HE3 LYS A 131 23.705 13.950 1.019 1.00 1.95 H new ATOM 0 HZ1 LYS A 131 22.812 13.836 3.028 1.00 2.53 H new ATOM 0 HZ2 LYS A 131 21.524 12.860 2.507 1.00 2.53 H new ATOM 0 HZ3 LYS A 131 23.001 12.151 2.949 1.00 2.53 H new ATOM 2133 N ASP A 132 20.869 9.390 -3.860 1.00 0.35 N ATOM 2134 CA ASP A 132 21.262 8.505 -4.951 1.00 0.45 C ATOM 2135 C ASP A 132 20.169 7.494 -5.309 1.00 0.44 C ATOM 2136 O ASP A 132 20.179 6.338 -4.874 1.00 0.45 O ATOM 2137 CB ASP A 132 22.554 7.769 -4.599 1.00 0.48 C ATOM 2138 CG ASP A 132 23.078 6.994 -5.810 1.00 0.61 C ATOM 2139 OD1 ASP A 132 24.154 6.379 -5.677 1.00 1.51 O ATOM 2140 OD2 ASP A 132 22.389 7.006 -6.858 1.00 1.91 O ATOM 0 H ASP A 132 20.166 9.002 -3.230 1.00 0.35 H new ATOM 0 HA ASP A 132 21.424 9.134 -5.826 1.00 0.45 H new ATOM 0 HB2 ASP A 132 23.306 8.483 -4.264 1.00 0.48 H new ATOM 0 HB3 ASP A 132 22.374 7.083 -3.771 1.00 0.48 H new ATOM 2145 N ARG A 133 19.268 7.884 -6.216 1.00 0.46 N ATOM 2146 CA ARG A 133 18.253 6.958 -6.695 1.00 0.46 C ATOM 2147 C ARG A 133 18.855 5.667 -7.226 1.00 0.44 C ATOM 2148 O ARG A 133 18.159 4.665 -7.189 1.00 0.41 O ATOM 2149 CB ARG A 133 17.345 7.528 -7.792 1.00 0.52 C ATOM 2150 CG ARG A 133 16.509 8.748 -7.383 1.00 0.63 C ATOM 2151 CD ARG A 133 16.961 10.023 -8.107 1.00 1.43 C ATOM 2152 NE ARG A 133 16.075 11.164 -7.820 1.00 1.57 N ATOM 2153 CZ ARG A 133 14.838 11.345 -8.308 1.00 2.08 C ATOM 2154 NH1 ARG A 133 14.157 12.452 -8.008 1.00 2.93 N ATOM 2155 NH2 ARG A 133 14.280 10.428 -9.100 1.00 3.13 N ATOM 0 H ARG A 133 19.225 8.818 -6.623 1.00 0.46 H new ATOM 0 HA ARG A 133 17.648 6.767 -5.809 1.00 0.46 H new ATOM 0 HB2 ARG A 133 17.964 7.802 -8.647 1.00 0.52 H new ATOM 0 HB3 ARG A 133 16.669 6.741 -8.127 1.00 0.52 H new ATOM 0 HG2 ARG A 133 15.459 8.558 -7.604 1.00 0.63 H new ATOM 0 HG3 ARG A 133 16.586 8.896 -6.306 1.00 0.63 H new ATOM 0 HD2 ARG A 133 17.979 10.270 -7.805 1.00 1.43 H new ATOM 0 HD3 ARG A 133 16.982 9.842 -9.182 1.00 1.43 H new ATOM 0 HE ARG A 133 16.435 11.883 -7.192 1.00 1.57 H new ATOM 0 HH11 ARG A 133 14.576 13.162 -7.407 1.00 2.93 H new ATOM 0 HH12 ARG A 133 13.217 12.589 -8.379 1.00 2.93 H new ATOM 0 HH21 ARG A 133 14.794 9.580 -9.340 1.00 3.13 H new ATOM 0 HH22 ARG A 133 13.339 10.575 -9.466 1.00 3.13 H new ATOM 2169 N LYS A 134 20.080 5.628 -7.759 1.00 0.48 N ATOM 2170 CA LYS A 134 20.595 4.374 -8.303 1.00 0.45 C ATOM 2171 C LYS A 134 20.691 3.309 -7.225 1.00 0.45 C ATOM 2172 O LYS A 134 20.267 2.180 -7.472 1.00 0.46 O ATOM 2173 CB LYS A 134 21.946 4.555 -9.005 1.00 0.45 C ATOM 2174 CG LYS A 134 21.774 5.241 -10.368 1.00 0.53 C ATOM 2175 CD LYS A 134 20.987 4.378 -11.371 1.00 2.06 C ATOM 2176 CE LYS A 134 19.810 5.181 -11.942 1.00 2.79 C ATOM 2177 NZ LYS A 134 18.852 4.336 -12.690 1.00 4.94 N ATOM 0 H LYS A 134 20.714 6.424 -7.824 1.00 0.48 H new ATOM 0 HA LYS A 134 19.881 4.042 -9.057 1.00 0.45 H new ATOM 0 HB2 LYS A 134 22.609 5.149 -8.376 1.00 0.45 H new ATOM 0 HB3 LYS A 134 22.422 3.584 -9.141 1.00 0.45 H new ATOM 0 HG2 LYS A 134 21.259 6.191 -10.230 1.00 0.53 H new ATOM 0 HG3 LYS A 134 22.756 5.468 -10.782 1.00 0.53 H new ATOM 0 HD2 LYS A 134 21.643 4.054 -12.179 1.00 2.06 H new ATOM 0 HD3 LYS A 134 20.619 3.478 -10.879 1.00 2.06 H new ATOM 0 HE2 LYS A 134 19.287 5.681 -11.127 1.00 2.79 H new ATOM 0 HE3 LYS A 134 20.193 5.960 -12.601 1.00 2.79 H new ATOM 0 HZ1 LYS A 134 18.343 4.919 -13.385 1.00 4.94 H new ATOM 0 HZ2 LYS A 134 19.368 3.580 -13.184 1.00 4.94 H new ATOM 0 HZ3 LYS A 134 18.171 3.914 -12.027 1.00 4.94 H new ATOM 2191 N LYS A 135 21.201 3.643 -6.036 1.00 0.46 N ATOM 2192 CA LYS A 135 21.178 2.678 -4.939 1.00 0.49 C ATOM 2193 C LYS A 135 19.756 2.236 -4.658 1.00 0.45 C ATOM 2194 O LYS A 135 19.530 1.071 -4.374 1.00 0.47 O ATOM 2195 CB LYS A 135 21.826 3.233 -3.665 1.00 0.59 C ATOM 2196 CG LYS A 135 23.339 2.970 -3.678 1.00 0.59 C ATOM 2197 CD LYS A 135 24.195 4.240 -3.652 1.00 1.29 C ATOM 2198 CE LYS A 135 25.131 4.287 -2.439 1.00 1.48 C ATOM 2199 NZ LYS A 135 24.403 4.566 -1.180 1.00 2.75 N ATOM 0 H LYS A 135 21.622 4.545 -5.814 1.00 0.46 H new ATOM 0 HA LYS A 135 21.768 1.816 -5.252 1.00 0.49 H new ATOM 0 HB2 LYS A 135 21.637 4.304 -3.590 1.00 0.59 H new ATOM 0 HB3 LYS A 135 21.377 2.767 -2.788 1.00 0.59 H new ATOM 0 HG2 LYS A 135 23.597 2.353 -2.817 1.00 0.59 H new ATOM 0 HG3 LYS A 135 23.589 2.394 -4.569 1.00 0.59 H new ATOM 0 HD2 LYS A 135 24.786 4.296 -4.566 1.00 1.29 H new ATOM 0 HD3 LYS A 135 23.544 5.114 -3.640 1.00 1.29 H new ATOM 0 HE2 LYS A 135 25.655 3.336 -2.350 1.00 1.48 H new ATOM 0 HE3 LYS A 135 25.888 5.055 -2.596 1.00 1.48 H new ATOM 0 HZ1 LYS A 135 25.014 4.341 -0.369 1.00 2.75 H new ATOM 0 HZ2 LYS A 135 24.140 5.572 -1.147 1.00 2.75 H new ATOM 0 HZ3 LYS A 135 23.544 3.982 -1.139 1.00 2.75 H new ATOM 2213 N PHE A 136 18.785 3.134 -4.753 1.00 0.50 N ATOM 2214 CA PHE A 136 17.406 2.787 -4.485 1.00 0.56 C ATOM 2215 C PHE A 136 16.865 1.836 -5.551 1.00 0.59 C ATOM 2216 O PHE A 136 16.118 0.917 -5.233 1.00 0.65 O ATOM 2217 CB PHE A 136 16.589 4.066 -4.412 1.00 0.59 C ATOM 2218 CG PHE A 136 15.250 3.873 -3.748 1.00 0.74 C ATOM 2219 CD1 PHE A 136 15.098 4.194 -2.388 1.00 2.53 C ATOM 2220 CD2 PHE A 136 14.160 3.391 -4.491 1.00 1.63 C ATOM 2221 CE1 PHE A 136 13.844 4.060 -1.779 1.00 3.16 C ATOM 2222 CE2 PHE A 136 12.909 3.234 -3.874 1.00 1.73 C ATOM 2223 CZ PHE A 136 12.754 3.577 -2.522 1.00 2.12 C ATOM 0 H PHE A 136 18.933 4.109 -5.015 1.00 0.50 H new ATOM 0 HA PHE A 136 17.336 2.263 -3.532 1.00 0.56 H new ATOM 0 HB2 PHE A 136 17.154 4.821 -3.865 1.00 0.59 H new ATOM 0 HB3 PHE A 136 16.436 4.451 -5.420 1.00 0.59 H new ATOM 0 HD1 PHE A 136 15.945 4.542 -1.815 1.00 2.53 H new ATOM 0 HD2 PHE A 136 14.284 3.142 -5.535 1.00 1.63 H new ATOM 0 HE1 PHE A 136 13.715 4.327 -0.741 1.00 3.16 H new ATOM 0 HE2 PHE A 136 12.070 2.851 -4.437 1.00 1.73 H new ATOM 0 HZ PHE A 136 11.789 3.469 -2.049 1.00 2.12 H new ATOM 2233 N CYS A 137 17.230 2.040 -6.819 1.00 0.58 N ATOM 2234 CA CYS A 137 16.806 1.189 -7.913 1.00 0.60 C ATOM 2235 C CYS A 137 17.316 -0.226 -7.658 1.00 0.42 C ATOM 2236 O CYS A 137 16.556 -1.186 -7.728 1.00 0.37 O ATOM 2237 CB CYS A 137 17.366 1.684 -9.255 1.00 0.74 C ATOM 2238 SG CYS A 137 16.718 3.314 -9.721 1.00 2.05 S ATOM 0 H CYS A 137 17.834 2.810 -7.109 1.00 0.58 H new ATOM 0 HA CYS A 137 15.717 1.209 -7.966 1.00 0.60 H new ATOM 0 HB2 CYS A 137 18.453 1.733 -9.195 1.00 0.74 H new ATOM 0 HB3 CYS A 137 17.121 0.963 -10.035 1.00 0.74 H new ATOM 0 HG CYS A 137 17.152 4.209 -8.884 1.00 2.05 H new ATOM 2244 N LYS A 138 18.621 -0.347 -7.392 1.00 0.38 N ATOM 2245 CA LYS A 138 19.258 -1.659 -7.241 1.00 0.33 C ATOM 2246 C LYS A 138 18.708 -2.351 -5.997 1.00 0.34 C ATOM 2247 O LYS A 138 18.292 -3.504 -6.044 1.00 0.37 O ATOM 2248 CB LYS A 138 20.785 -1.518 -7.128 1.00 0.50 C ATOM 2249 CG LYS A 138 21.548 -1.830 -8.422 1.00 0.92 C ATOM 2250 CD LYS A 138 21.366 -0.811 -9.551 1.00 1.24 C ATOM 2251 CE LYS A 138 20.207 -1.228 -10.460 1.00 1.65 C ATOM 2252 NZ LYS A 138 20.300 -0.629 -11.805 1.00 2.47 N ATOM 0 H LYS A 138 19.254 0.444 -7.277 1.00 0.38 H new ATOM 0 HA LYS A 138 19.035 -2.258 -8.124 1.00 0.33 H new ATOM 0 HB2 LYS A 138 21.022 -0.500 -6.817 1.00 0.50 H new ATOM 0 HB3 LYS A 138 21.142 -2.182 -6.341 1.00 0.50 H new ATOM 0 HG2 LYS A 138 22.610 -1.904 -8.189 1.00 0.92 H new ATOM 0 HG3 LYS A 138 21.232 -2.809 -8.784 1.00 0.92 H new ATOM 0 HD2 LYS A 138 21.171 0.176 -9.132 1.00 1.24 H new ATOM 0 HD3 LYS A 138 22.284 -0.735 -10.133 1.00 1.24 H new ATOM 0 HE2 LYS A 138 20.193 -2.314 -10.550 1.00 1.65 H new ATOM 0 HE3 LYS A 138 19.264 -0.934 -9.999 1.00 1.65 H new ATOM 0 HZ1 LYS A 138 19.493 -0.942 -12.381 1.00 2.47 H new ATOM 0 HZ2 LYS A 138 20.287 0.408 -11.725 1.00 2.47 H new ATOM 0 HZ3 LYS A 138 21.186 -0.930 -12.258 1.00 2.47 H new ATOM 2266 N ASN A 139 18.714 -1.636 -4.877 1.00 0.41 N ATOM 2267 CA ASN A 139 18.199 -2.126 -3.610 1.00 0.48 C ATOM 2268 C ASN A 139 16.785 -2.645 -3.805 1.00 0.51 C ATOM 2269 O ASN A 139 16.456 -3.702 -3.285 1.00 0.63 O ATOM 2270 CB ASN A 139 18.211 -1.036 -2.530 1.00 0.55 C ATOM 2271 CG ASN A 139 19.597 -0.774 -1.941 1.00 0.63 C ATOM 2272 OD1 ASN A 139 20.467 -1.634 -1.989 1.00 1.15 O ATOM 2273 ND2 ASN A 139 19.815 0.396 -1.349 1.00 0.85 N ATOM 0 H ASN A 139 19.083 -0.686 -4.826 1.00 0.41 H new ATOM 0 HA ASN A 139 18.849 -2.933 -3.271 1.00 0.48 H new ATOM 0 HB2 ASN A 139 17.825 -0.110 -2.956 1.00 0.55 H new ATOM 0 HB3 ASN A 139 17.533 -1.324 -1.727 1.00 0.55 H new ATOM 0 HD21 ASN A 139 20.721 0.591 -0.923 1.00 0.85 H new ATOM 0 HD22 ASN A 139 19.076 1.099 -1.320 1.00 0.85 H new ATOM 2280 N ALA A 140 15.942 -1.926 -4.549 1.00 0.48 N ATOM 2281 CA ALA A 140 14.596 -2.385 -4.820 1.00 0.48 C ATOM 2282 C ALA A 140 14.588 -3.685 -5.617 1.00 0.36 C ATOM 2283 O ALA A 140 13.885 -4.603 -5.220 1.00 0.34 O ATOM 2284 CB ALA A 140 13.769 -1.325 -5.531 1.00 0.52 C ATOM 0 H ALA A 140 16.176 -1.027 -4.970 1.00 0.48 H new ATOM 0 HA ALA A 140 14.137 -2.580 -3.851 1.00 0.48 H new ATOM 0 HB1 ALA A 140 12.766 -1.709 -5.716 1.00 0.52 H new ATOM 0 HB2 ALA A 140 13.707 -0.433 -4.907 1.00 0.52 H new ATOM 0 HB3 ALA A 140 14.241 -1.071 -6.480 1.00 0.52 H new ATOM 2290 N GLU A 141 15.333 -3.782 -6.725 1.00 0.33 N ATOM 2291 CA GLU A 141 15.437 -5.006 -7.526 1.00 0.27 C ATOM 2292 C GLU A 141 15.685 -6.211 -6.619 1.00 0.32 C ATOM 2293 O GLU A 141 15.130 -7.291 -6.838 1.00 0.35 O ATOM 2294 CB GLU A 141 16.579 -4.910 -8.559 1.00 0.28 C ATOM 2295 CG GLU A 141 16.274 -4.065 -9.801 1.00 1.39 C ATOM 2296 CD GLU A 141 17.483 -4.013 -10.741 1.00 1.21 C ATOM 2297 OE1 GLU A 141 18.128 -2.937 -10.816 1.00 2.74 O ATOM 2298 OE2 GLU A 141 17.749 -5.059 -11.372 1.00 1.13 O ATOM 0 H GLU A 141 15.884 -3.007 -7.093 1.00 0.33 H new ATOM 0 HA GLU A 141 14.494 -5.129 -8.059 1.00 0.27 H new ATOM 0 HB2 GLU A 141 17.458 -4.496 -8.066 1.00 0.28 H new ATOM 0 HB3 GLU A 141 16.840 -5.918 -8.881 1.00 0.28 H new ATOM 0 HG2 GLU A 141 15.417 -4.484 -10.328 1.00 1.39 H new ATOM 0 HG3 GLU A 141 16.000 -3.054 -9.499 1.00 1.39 H new ATOM 2305 N GLU A 142 16.525 -6.029 -5.598 1.00 0.44 N ATOM 2306 CA GLU A 142 16.806 -7.094 -4.663 1.00 0.55 C ATOM 2307 C GLU A 142 15.626 -7.282 -3.732 1.00 0.57 C ATOM 2308 O GLU A 142 15.207 -8.416 -3.567 1.00 0.58 O ATOM 2309 CB GLU A 142 18.074 -6.809 -3.842 1.00 0.70 C ATOM 2310 CG GLU A 142 19.320 -7.502 -4.416 1.00 0.81 C ATOM 2311 CD GLU A 142 19.979 -8.395 -3.360 1.00 1.34 C ATOM 2312 OE1 GLU A 142 19.344 -9.410 -2.987 1.00 2.17 O ATOM 2313 OE2 GLU A 142 21.092 -8.068 -2.901 1.00 1.99 O ATOM 0 H GLU A 142 17.015 -5.155 -5.407 1.00 0.44 H new ATOM 0 HA GLU A 142 16.976 -8.006 -5.236 1.00 0.55 H new ATOM 0 HB2 GLU A 142 18.245 -5.733 -3.807 1.00 0.70 H new ATOM 0 HB3 GLU A 142 17.919 -7.141 -2.815 1.00 0.70 H new ATOM 0 HG2 GLU A 142 19.042 -8.101 -5.283 1.00 0.81 H new ATOM 0 HG3 GLU A 142 20.032 -6.753 -4.761 1.00 0.81 H new ATOM 2320 N PHE A 143 15.094 -6.216 -3.122 1.00 0.61 N ATOM 2321 CA PHE A 143 14.015 -6.289 -2.133 1.00 0.69 C ATOM 2322 C PHE A 143 12.912 -7.168 -2.696 1.00 0.43 C ATOM 2323 O PHE A 143 12.465 -8.131 -2.066 1.00 0.37 O ATOM 2324 CB PHE A 143 13.484 -4.883 -1.757 1.00 0.94 C ATOM 2325 CG PHE A 143 11.989 -4.668 -1.984 1.00 3.10 C ATOM 2326 CD1 PHE A 143 11.062 -5.423 -1.244 1.00 3.26 C ATOM 2327 CD2 PHE A 143 11.528 -3.881 -3.057 1.00 5.47 C ATOM 2328 CE1 PHE A 143 9.714 -5.481 -1.640 1.00 5.57 C ATOM 2329 CE2 PHE A 143 10.172 -3.898 -3.423 1.00 7.65 C ATOM 2330 CZ PHE A 143 9.273 -4.737 -2.745 1.00 7.65 C ATOM 0 H PHE A 143 15.407 -5.263 -3.306 1.00 0.61 H new ATOM 0 HA PHE A 143 14.398 -6.724 -1.210 1.00 0.69 H new ATOM 0 HB2 PHE A 143 13.705 -4.698 -0.706 1.00 0.94 H new ATOM 0 HB3 PHE A 143 14.033 -4.139 -2.334 1.00 0.94 H new ATOM 0 HD1 PHE A 143 11.387 -5.962 -0.366 1.00 3.26 H new ATOM 0 HD2 PHE A 143 12.223 -3.260 -3.603 1.00 5.47 H new ATOM 0 HE1 PHE A 143 9.017 -6.099 -1.093 1.00 5.57 H new ATOM 0 HE2 PHE A 143 9.821 -3.266 -4.225 1.00 7.65 H new ATOM 0 HZ PHE A 143 8.246 -4.809 -3.073 1.00 7.65 H new ATOM 2340 N THR A 144 12.482 -6.806 -3.898 1.00 0.38 N ATOM 2341 CA THR A 144 11.467 -7.505 -4.626 1.00 0.31 C ATOM 2342 C THR A 144 11.838 -8.984 -4.716 1.00 0.25 C ATOM 2343 O THR A 144 11.043 -9.848 -4.364 1.00 0.28 O ATOM 2344 CB THR A 144 11.339 -6.809 -5.978 1.00 0.35 C ATOM 2345 OG1 THR A 144 10.894 -5.485 -5.797 1.00 0.46 O ATOM 2346 CG2 THR A 144 10.339 -7.556 -6.825 1.00 0.37 C ATOM 0 H THR A 144 12.849 -5.994 -4.394 1.00 0.38 H new ATOM 0 HA THR A 144 10.493 -7.478 -4.137 1.00 0.31 H new ATOM 0 HB THR A 144 12.311 -6.797 -6.470 1.00 0.35 H new ATOM 0 HG1 THR A 144 11.056 -5.209 -4.871 1.00 0.46 H new ATOM 0 HG21 THR A 144 10.242 -7.064 -7.793 1.00 0.37 H new ATOM 0 HG22 THR A 144 10.680 -8.581 -6.971 1.00 0.37 H new ATOM 0 HG23 THR A 144 9.371 -7.564 -6.324 1.00 0.37 H new ATOM 2354 N LYS A 145 13.056 -9.296 -5.148 1.00 0.31 N ATOM 2355 CA LYS A 145 13.514 -10.672 -5.242 1.00 0.48 C ATOM 2356 C LYS A 145 13.677 -11.363 -3.873 1.00 0.53 C ATOM 2357 O LYS A 145 13.671 -12.595 -3.836 1.00 0.69 O ATOM 2358 CB LYS A 145 14.789 -10.678 -6.101 1.00 0.69 C ATOM 2359 CG LYS A 145 15.255 -12.094 -6.444 1.00 1.14 C ATOM 2360 CD LYS A 145 16.327 -12.584 -5.463 1.00 1.92 C ATOM 2361 CE LYS A 145 16.343 -14.112 -5.393 1.00 2.39 C ATOM 2362 NZ LYS A 145 15.145 -14.640 -4.701 1.00 3.89 N ATOM 0 H LYS A 145 13.747 -8.605 -5.440 1.00 0.31 H new ATOM 0 HA LYS A 145 12.751 -11.281 -5.727 1.00 0.48 H new ATOM 0 HB2 LYS A 145 14.605 -10.126 -7.023 1.00 0.69 H new ATOM 0 HB3 LYS A 145 15.584 -10.156 -5.569 1.00 0.69 H new ATOM 0 HG2 LYS A 145 14.403 -12.774 -6.424 1.00 1.14 H new ATOM 0 HG3 LYS A 145 15.653 -12.112 -7.459 1.00 1.14 H new ATOM 0 HD2 LYS A 145 17.306 -12.220 -5.775 1.00 1.92 H new ATOM 0 HD3 LYS A 145 16.135 -12.172 -4.472 1.00 1.92 H new ATOM 0 HE2 LYS A 145 16.391 -14.522 -6.402 1.00 2.39 H new ATOM 0 HE3 LYS A 145 17.241 -14.443 -4.871 1.00 2.39 H new ATOM 0 HZ1 LYS A 145 15.431 -15.379 -4.028 1.00 3.89 H new ATOM 0 HZ2 LYS A 145 14.672 -13.869 -4.188 1.00 3.89 H new ATOM 0 HZ3 LYS A 145 14.490 -15.043 -5.401 1.00 3.89 H new ATOM 2376 N LYS A 146 13.868 -10.647 -2.757 1.00 0.48 N ATOM 2377 CA LYS A 146 13.972 -11.242 -1.429 1.00 0.53 C ATOM 2378 C LYS A 146 12.594 -11.722 -0.994 1.00 0.38 C ATOM 2379 O LYS A 146 12.402 -12.906 -0.738 1.00 0.40 O ATOM 2380 CB LYS A 146 14.500 -10.250 -0.367 1.00 0.70 C ATOM 2381 CG LYS A 146 15.879 -9.611 -0.571 1.00 1.36 C ATOM 2382 CD LYS A 146 16.999 -10.591 -0.926 1.00 1.06 C ATOM 2383 CE LYS A 146 18.229 -10.252 -0.070 1.00 1.37 C ATOM 2384 NZ LYS A 146 19.476 -10.851 -0.586 1.00 2.24 N ATOM 0 H LYS A 146 13.955 -9.631 -2.756 1.00 0.48 H new ATOM 0 HA LYS A 146 14.683 -12.065 -1.499 1.00 0.53 H new ATOM 0 HB2 LYS A 146 13.773 -9.443 -0.279 1.00 0.70 H new ATOM 0 HB3 LYS A 146 14.516 -10.770 0.591 1.00 0.70 H new ATOM 0 HG2 LYS A 146 15.804 -8.866 -1.363 1.00 1.36 H new ATOM 0 HG3 LYS A 146 16.156 -9.081 0.340 1.00 1.36 H new ATOM 0 HD2 LYS A 146 16.679 -11.616 -0.741 1.00 1.06 H new ATOM 0 HD3 LYS A 146 17.243 -10.520 -1.986 1.00 1.06 H new ATOM 0 HE2 LYS A 146 18.345 -9.169 -0.024 1.00 1.37 H new ATOM 0 HE3 LYS A 146 18.061 -10.598 0.950 1.00 1.37 H new ATOM 0 HZ1 LYS A 146 20.264 -10.616 0.051 1.00 2.24 H new ATOM 0 HZ2 LYS A 146 19.369 -11.884 -0.638 1.00 2.24 H new ATOM 0 HZ3 LYS A 146 19.674 -10.476 -1.535 1.00 2.24 H new ATOM 2398 N TYR A 147 11.674 -10.773 -0.807 1.00 0.33 N ATOM 2399 CA TYR A 147 10.376 -10.995 -0.185 1.00 0.31 C ATOM 2400 C TYR A 147 9.221 -10.564 -1.081 1.00 0.31 C ATOM 2401 O TYR A 147 8.091 -10.944 -0.797 1.00 0.40 O ATOM 2402 CB TYR A 147 10.279 -10.230 1.137 1.00 0.46 C ATOM 2403 CG TYR A 147 10.499 -11.117 2.337 1.00 0.50 C ATOM 2404 CD1 TYR A 147 9.437 -11.409 3.215 1.00 2.00 C ATOM 2405 CD2 TYR A 147 11.754 -11.710 2.533 1.00 1.63 C ATOM 2406 CE1 TYR A 147 9.628 -12.299 4.284 1.00 2.01 C ATOM 2407 CE2 TYR A 147 11.949 -12.609 3.592 1.00 1.66 C ATOM 2408 CZ TYR A 147 10.888 -12.913 4.472 1.00 0.62 C ATOM 2409 OH TYR A 147 11.112 -13.729 5.537 1.00 0.67 O ATOM 0 H TYR A 147 11.820 -9.805 -1.093 1.00 0.33 H new ATOM 0 HA TYR A 147 10.296 -12.068 -0.011 1.00 0.31 H new ATOM 0 HB2 TYR A 147 11.016 -9.427 1.143 1.00 0.46 H new ATOM 0 HB3 TYR A 147 9.297 -9.762 1.211 1.00 0.46 H new ATOM 0 HD1 TYR A 147 8.472 -10.947 3.065 1.00 2.00 H new ATOM 0 HD2 TYR A 147 12.572 -11.474 1.868 1.00 1.63 H new ATOM 0 HE1 TYR A 147 8.815 -12.514 4.961 1.00 2.01 H new ATOM 0 HE2 TYR A 147 12.915 -13.070 3.735 1.00 1.66 H new ATOM 0 HH TYR A 147 12.033 -14.063 5.505 1.00 0.67 H new ATOM 2419 N GLY A 148 9.463 -9.690 -2.065 1.00 0.28 N ATOM 2420 CA GLY A 148 8.407 -9.113 -2.882 1.00 0.29 C ATOM 2421 C GLY A 148 7.516 -10.199 -3.464 1.00 0.28 C ATOM 2422 O GLY A 148 7.986 -11.279 -3.816 1.00 0.34 O ATOM 0 H GLY A 148 10.399 -9.368 -2.312 1.00 0.28 H new ATOM 0 HA2 GLY A 148 7.808 -8.430 -2.280 1.00 0.29 H new ATOM 0 HA3 GLY A 148 8.846 -8.526 -3.689 1.00 0.29 H new ATOM 2426 N GLU A 149 6.214 -9.926 -3.541 1.00 0.24 N ATOM 2427 CA GLU A 149 5.275 -10.971 -3.906 1.00 0.21 C ATOM 2428 C GLU A 149 5.495 -11.371 -5.359 1.00 0.25 C ATOM 2429 O GLU A 149 6.066 -10.633 -6.161 1.00 0.33 O ATOM 2430 CB GLU A 149 3.823 -10.521 -3.720 1.00 0.30 C ATOM 2431 CG GLU A 149 3.052 -11.399 -2.734 1.00 0.61 C ATOM 2432 CD GLU A 149 2.774 -12.803 -3.254 1.00 0.77 C ATOM 2433 OE1 GLU A 149 3.758 -13.563 -3.375 1.00 1.50 O ATOM 2434 OE2 GLU A 149 1.589 -13.092 -3.514 1.00 2.08 O ATOM 0 H GLU A 149 5.799 -9.012 -3.360 1.00 0.24 H new ATOM 0 HA GLU A 149 5.453 -11.822 -3.248 1.00 0.21 H new ATOM 0 HB2 GLU A 149 3.809 -9.489 -3.368 1.00 0.30 H new ATOM 0 HB3 GLU A 149 3.317 -10.535 -4.685 1.00 0.30 H new ATOM 0 HG2 GLU A 149 3.618 -11.470 -1.805 1.00 0.61 H new ATOM 0 HG3 GLU A 149 2.105 -10.916 -2.494 1.00 0.61 H new ATOM 2441 N LYS A 150 4.978 -12.519 -5.753 1.00 0.27 N ATOM 2442 CA LYS A 150 5.118 -12.941 -7.129 1.00 0.33 C ATOM 2443 C LYS A 150 4.016 -12.266 -7.928 1.00 0.37 C ATOM 2444 O LYS A 150 2.880 -12.730 -7.943 1.00 0.46 O ATOM 2445 CB LYS A 150 5.110 -14.468 -7.206 1.00 0.42 C ATOM 2446 CG LYS A 150 6.123 -15.003 -6.180 1.00 1.60 C ATOM 2447 CD LYS A 150 6.730 -16.343 -6.594 1.00 2.21 C ATOM 2448 CE LYS A 150 7.798 -16.100 -7.667 1.00 3.98 C ATOM 2449 NZ LYS A 150 8.472 -17.353 -8.068 1.00 5.01 N ATOM 0 H LYS A 150 4.467 -13.164 -5.151 1.00 0.27 H new ATOM 0 HA LYS A 150 6.072 -12.638 -7.562 1.00 0.33 H new ATOM 0 HB2 LYS A 150 4.113 -14.855 -6.994 1.00 0.42 H new ATOM 0 HB3 LYS A 150 5.374 -14.800 -8.210 1.00 0.42 H new ATOM 0 HG2 LYS A 150 6.921 -14.272 -6.049 1.00 1.60 H new ATOM 0 HG3 LYS A 150 5.631 -15.115 -5.214 1.00 1.60 H new ATOM 0 HD2 LYS A 150 7.172 -16.839 -5.730 1.00 2.21 H new ATOM 0 HD3 LYS A 150 5.954 -17.004 -6.979 1.00 2.21 H new ATOM 0 HE2 LYS A 150 7.336 -15.640 -8.541 1.00 3.98 H new ATOM 0 HE3 LYS A 150 8.538 -15.395 -7.289 1.00 3.98 H new ATOM 0 HZ1 LYS A 150 9.187 -17.146 -8.795 1.00 5.01 H new ATOM 0 HZ2 LYS A 150 8.934 -17.779 -7.240 1.00 5.01 H new ATOM 0 HZ3 LYS A 150 7.770 -18.017 -8.452 1.00 5.01 H new ATOM 2463 N ARG A 151 4.351 -11.151 -8.592 1.00 0.38 N ATOM 2464 CA ARG A 151 3.378 -10.445 -9.422 1.00 0.44 C ATOM 2465 C ARG A 151 2.819 -11.410 -10.474 1.00 0.59 C ATOM 2466 O ARG A 151 3.486 -12.395 -10.806 1.00 0.76 O ATOM 2467 CB ARG A 151 3.970 -9.132 -9.994 1.00 0.52 C ATOM 2468 CG ARG A 151 4.787 -9.143 -11.299 1.00 0.83 C ATOM 2469 CD ARG A 151 6.138 -9.852 -11.198 1.00 1.28 C ATOM 2470 NE ARG A 151 5.960 -11.304 -11.306 1.00 2.21 N ATOM 2471 CZ ARG A 151 6.131 -12.038 -12.410 1.00 2.47 C ATOM 2472 NH1 ARG A 151 5.571 -13.248 -12.466 1.00 3.52 N ATOM 2473 NH2 ARG A 151 6.840 -11.579 -13.441 1.00 2.56 N ATOM 0 H ARG A 151 5.278 -10.726 -8.569 1.00 0.38 H new ATOM 0 HA ARG A 151 2.532 -10.116 -8.819 1.00 0.44 H new ATOM 0 HB2 ARG A 151 3.139 -8.442 -10.141 1.00 0.52 H new ATOM 0 HB3 ARG A 151 4.607 -8.703 -9.220 1.00 0.52 H new ATOM 0 HG2 ARG A 151 4.196 -9.625 -12.078 1.00 0.83 H new ATOM 0 HG3 ARG A 151 4.954 -8.114 -11.616 1.00 0.83 H new ATOM 0 HD2 ARG A 151 6.801 -9.500 -11.988 1.00 1.28 H new ATOM 0 HD3 ARG A 151 6.615 -9.607 -10.249 1.00 1.28 H new ATOM 0 HE ARG A 151 5.680 -11.800 -10.460 1.00 2.21 H new ATOM 0 HH11 ARG A 151 5.026 -13.595 -11.677 1.00 3.52 H new ATOM 0 HH12 ARG A 151 5.688 -13.826 -13.298 1.00 3.52 H new ATOM 0 HH21 ARG A 151 7.264 -10.652 -13.396 1.00 2.56 H new ATOM 0 HH22 ARG A 151 6.959 -12.155 -14.275 1.00 2.56 H new ATOM 2487 N PRO A 152 1.598 -11.188 -10.971 1.00 0.61 N ATOM 2488 CA PRO A 152 1.043 -12.039 -12.005 1.00 0.73 C ATOM 2489 C PRO A 152 1.848 -11.852 -13.291 1.00 0.86 C ATOM 2490 O PRO A 152 2.645 -10.926 -13.400 1.00 0.90 O ATOM 2491 CB PRO A 152 -0.422 -11.618 -12.138 1.00 0.68 C ATOM 2492 CG PRO A 152 -0.457 -10.182 -11.613 1.00 0.61 C ATOM 2493 CD PRO A 152 0.721 -10.080 -10.644 1.00 0.54 C ATOM 0 HA PRO A 152 1.095 -13.103 -11.773 1.00 0.73 H new ATOM 0 HB2 PRO A 152 -0.757 -11.670 -13.174 1.00 0.68 H new ATOM 0 HB3 PRO A 152 -1.076 -12.269 -11.558 1.00 0.68 H new ATOM 0 HG2 PRO A 152 -0.361 -9.463 -12.427 1.00 0.61 H new ATOM 0 HG3 PRO A 152 -1.400 -9.970 -11.110 1.00 0.61 H new ATOM 0 HD2 PRO A 152 1.237 -9.127 -10.755 1.00 0.54 H new ATOM 0 HD3 PRO A 152 0.383 -10.141 -9.610 1.00 0.54 H new ATOM 2501 N VAL A 153 1.675 -12.753 -14.257 1.00 1.03 N ATOM 2502 CA VAL A 153 2.301 -12.586 -15.563 1.00 1.14 C ATOM 2503 C VAL A 153 1.524 -11.576 -16.411 1.00 1.11 C ATOM 2504 O VAL A 153 2.135 -10.887 -17.223 1.00 1.20 O ATOM 2505 CB VAL A 153 2.456 -13.940 -16.275 1.00 1.57 C ATOM 2506 CG1 VAL A 153 3.426 -14.823 -15.479 1.00 1.94 C ATOM 2507 CG2 VAL A 153 1.135 -14.701 -16.454 1.00 1.84 C ATOM 0 H VAL A 153 1.112 -13.598 -14.160 1.00 1.03 H new ATOM 0 HA VAL A 153 3.304 -12.184 -15.418 1.00 1.14 H new ATOM 0 HB VAL A 153 2.836 -13.720 -17.273 1.00 1.57 H new ATOM 0 HG11 VAL A 153 3.538 -15.784 -15.981 1.00 1.94 H new ATOM 0 HG12 VAL A 153 4.397 -14.331 -15.415 1.00 1.94 H new ATOM 0 HG13 VAL A 153 3.033 -14.982 -14.475 1.00 1.94 H new ATOM 0 HG21 VAL A 153 1.325 -15.646 -16.964 1.00 1.84 H new ATOM 0 HG22 VAL A 153 0.694 -14.898 -15.477 1.00 1.84 H new ATOM 0 HG23 VAL A 153 0.447 -14.100 -17.049 1.00 1.84 H new ATOM 2517 N ASP A 154 0.200 -11.512 -16.202 1.00 1.29 N ATOM 2518 CA ASP A 154 -0.772 -10.820 -17.048 1.00 1.77 C ATOM 2519 C ASP A 154 -0.517 -11.070 -18.538 1.00 2.95 C ATOM 2520 O ASP A 154 -0.078 -12.203 -18.840 1.00 4.17 O ATOM 2521 CB ASP A 154 -0.991 -9.349 -16.626 1.00 2.44 C ATOM 2522 CG ASP A 154 0.244 -8.440 -16.562 1.00 3.69 C ATOM 2523 OD1 ASP A 154 0.452 -7.646 -17.508 1.00 4.40 O ATOM 2524 OD2 ASP A 154 0.870 -8.432 -15.476 1.00 5.02 O ATOM 2525 OXT ASP A 154 -0.913 -10.214 -19.357 1.00 3.86 O ATOM 0 H ASP A 154 -0.238 -11.964 -15.399 1.00 1.29 H new ATOM 0 HA ASP A 154 -1.751 -11.268 -16.876 1.00 1.77 H new ATOM 0 HB2 ASP A 154 -1.702 -8.902 -17.320 1.00 2.44 H new ATOM 0 HB3 ASP A 154 -1.461 -9.347 -15.643 1.00 2.44 H new TER 2530 ASP A 154