USER MOD reduce.3.24.130724 H: found=0, std=0, add=997, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 993 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 30 HIS : no HE2:sc= -6.58! C(o=-6.3!,f=-8.8!) USER MOD Set 1.2: A 33 LYS NZ :NH3+ -140:sc= 0.309 (180deg=0) USER MOD Single : A 1 ASP N :NH3+ -107:sc= 0.153 (180deg=-0.0249) USER MOD Single : A 2 GLN : amide:sc= -0.143 X(o=-0.14,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -1.79! C(o=-1.8!,f=-1.9!) USER MOD Single : A 11 ASN : amide:sc= -2! C(o=-2!,f=-3!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ -100:sc= -0.0869 (180deg=-1.7!) USER MOD Single : A 17 MET CE :methyl 152:sc= -8.93! (180deg=-11.1!) USER MOD Single : A 22 HIS : no HD1:sc= -2.17! C(o=-2.2!,f=-3.2!) USER MOD Single : A 24 SER OG : rot -62:sc= 1.15 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -1.83! C(o=-1.8!,f=-2.7!) USER MOD Single : A 45 GLN : amide:sc= -1.67 K(o=-1.7,f=-3.3!) USER MOD Single : A 46 ASN : amide:sc= -2.07! C(o=-2.1!,f=-3.1!) USER MOD Single : A 47 THR OG1 : rot -120:sc= 1.05 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 54:sc= 1.05 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ -171:sc= 0.334 (180deg=0.297) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.061 USER MOD Single : A 71 ASN : amide:sc= -2.99! C(o=-3!,f=-9.2!) USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= -1.95! C(o=-2!,f=-9.1!) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 86 TYR OH : rot 180:sc= 0.352 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 TYR OH : rot 8:sc= -6.95! USER MOD Single : A 91 THR OG1 : rot 180:sc= 0.0535 USER MOD Single : A 93 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 LYS NZ :NH3+ -130:sc= -0.271 (180deg=-0.954) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 SER OG : rot 59:sc= -1.83! USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 ASN : amide:sc= -0.19 X(o=-0.19,f=0) USER MOD Single : A 123 THR OG1 : rot -6:sc= 1.09 USER MOD Single : A 124 HIS :FLIP no HD1:sc= -1.03 F(o=-2.6!,f=-1) USER MOD Single : A 126 LYS NZ :NH3+ -115:sc= -0.0801 (180deg=-0.264) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 0.629 0.561 0.585 1.00 1.27 N ATOM 2 CA ASP A 1 2.086 0.409 0.307 1.00 1.72 C ATOM 3 C ASP A 1 2.892 0.881 1.521 1.00 1.43 C ATOM 4 O ASP A 1 2.360 1.067 2.597 1.00 1.21 O ATOM 5 CB ASP A 1 2.461 1.244 -0.916 1.00 2.75 C ATOM 6 CG ASP A 1 1.812 0.637 -2.162 1.00 2.76 C ATOM 7 OD1 ASP A 1 0.654 0.935 -2.408 1.00 2.71 O ATOM 8 OD2 ASP A 1 2.483 -0.116 -2.848 1.00 2.96 O ATOM 0 H1 ASP A 1 0.206 -0.376 0.743 1.00 1.27 H new ATOM 0 H2 ASP A 1 0.497 1.148 1.433 1.00 1.27 H new ATOM 0 H3 ASP A 1 0.166 1.017 -0.227 1.00 1.27 H new ATOM 0 HA ASP A 1 2.311 -0.639 0.111 1.00 1.72 H new ATOM 0 HB2 ASP A 1 2.128 2.273 -0.784 1.00 2.75 H new ATOM 0 HB3 ASP A 1 3.544 1.272 -1.033 1.00 2.75 H new ATOM 15 N GLN A 2 4.173 1.068 1.358 1.00 1.54 N ATOM 16 CA GLN A 2 5.015 1.516 2.505 1.00 1.32 C ATOM 17 C GLN A 2 4.602 2.923 2.940 1.00 1.15 C ATOM 18 O GLN A 2 4.043 3.686 2.176 1.00 1.19 O ATOM 19 CB GLN A 2 6.489 1.523 2.089 1.00 1.38 C ATOM 20 CG GLN A 2 6.773 2.749 1.217 1.00 1.32 C ATOM 21 CD GLN A 2 7.759 3.674 1.935 1.00 0.97 C ATOM 22 OE1 GLN A 2 7.434 4.803 2.247 1.00 1.51 O ATOM 23 NE2 GLN A 2 8.959 3.241 2.212 1.00 2.72 N ATOM 0 H GLN A 2 4.674 0.930 0.480 1.00 1.54 H new ATOM 0 HA GLN A 2 4.874 0.828 3.339 1.00 1.32 H new ATOM 0 HB2 GLN A 2 7.126 1.538 2.973 1.00 1.38 H new ATOM 0 HB3 GLN A 2 6.726 0.612 1.540 1.00 1.38 H new ATOM 0 HG2 GLN A 2 7.185 2.437 0.257 1.00 1.32 H new ATOM 0 HG3 GLN A 2 5.845 3.282 1.008 1.00 1.32 H new ATOM 0 HE21 GLN A 2 9.232 2.294 1.951 1.00 2.72 H new ATOM 0 HE22 GLN A 2 9.623 3.850 2.690 1.00 2.72 H new ATOM 32 N VAL A 3 4.883 3.270 4.164 1.00 1.12 N ATOM 33 CA VAL A 3 4.522 4.625 4.666 1.00 1.14 C ATOM 34 C VAL A 3 5.776 5.304 5.220 1.00 0.95 C ATOM 35 O VAL A 3 6.775 4.663 5.477 1.00 0.86 O ATOM 36 CB VAL A 3 3.483 4.500 5.780 1.00 1.11 C ATOM 37 CG1 VAL A 3 2.172 5.148 5.335 1.00 1.86 C ATOM 38 CG2 VAL A 3 3.238 3.022 6.086 1.00 1.07 C ATOM 0 H VAL A 3 5.350 2.669 4.843 1.00 1.12 H new ATOM 0 HA VAL A 3 4.108 5.218 3.850 1.00 1.14 H new ATOM 0 HB VAL A 3 3.852 5.003 6.674 1.00 1.11 H new ATOM 0 HG11 VAL A 3 1.433 5.058 6.131 1.00 1.86 H new ATOM 0 HG12 VAL A 3 2.343 6.202 5.117 1.00 1.86 H new ATOM 0 HG13 VAL A 3 1.804 4.647 4.440 1.00 1.86 H new ATOM 0 HG21 VAL A 3 2.497 2.933 6.880 1.00 1.07 H new ATOM 0 HG22 VAL A 3 2.872 2.521 5.190 1.00 1.07 H new ATOM 0 HG23 VAL A 3 4.171 2.557 6.406 1.00 1.07 H new ATOM 48 N ASP A 4 5.736 6.596 5.409 1.00 1.07 N ATOM 49 CA ASP A 4 6.932 7.302 5.947 1.00 0.90 C ATOM 50 C ASP A 4 7.111 6.952 7.424 1.00 0.64 C ATOM 51 O ASP A 4 6.255 7.220 8.244 1.00 0.58 O ATOM 52 CB ASP A 4 6.751 8.815 5.801 1.00 0.94 C ATOM 53 CG ASP A 4 8.077 9.515 6.108 1.00 0.87 C ATOM 54 OD1 ASP A 4 9.111 8.928 5.833 1.00 2.15 O ATOM 55 OD2 ASP A 4 8.037 10.624 6.614 1.00 1.83 O ATOM 0 H ASP A 4 4.930 7.190 5.215 1.00 1.07 H new ATOM 0 HA ASP A 4 7.814 6.989 5.388 1.00 0.90 H new ATOM 0 HB2 ASP A 4 6.424 9.058 4.790 1.00 0.94 H new ATOM 0 HB3 ASP A 4 5.975 9.167 6.480 1.00 0.94 H new ATOM 60 N VAL A 5 8.217 6.355 7.768 1.00 0.55 N ATOM 61 CA VAL A 5 8.455 5.986 9.192 1.00 0.31 C ATOM 62 C VAL A 5 9.912 6.281 9.550 1.00 0.64 C ATOM 63 O VAL A 5 10.710 6.633 8.704 1.00 1.19 O ATOM 64 CB VAL A 5 8.169 4.499 9.385 1.00 0.48 C ATOM 65 CG1 VAL A 5 7.169 4.320 10.529 1.00 1.47 C ATOM 66 CG2 VAL A 5 7.578 3.929 8.095 1.00 1.27 C ATOM 0 H VAL A 5 8.968 6.106 7.124 1.00 0.55 H new ATOM 0 HA VAL A 5 7.797 6.566 9.839 1.00 0.31 H new ATOM 0 HB VAL A 5 9.093 3.974 9.626 1.00 0.48 H new ATOM 0 HG11 VAL A 5 6.963 3.259 10.669 1.00 1.47 H new ATOM 0 HG12 VAL A 5 7.588 4.733 11.447 1.00 1.47 H new ATOM 0 HG13 VAL A 5 6.243 4.841 10.287 1.00 1.47 H new ATOM 0 HG21 VAL A 5 7.372 2.867 8.227 1.00 1.27 H new ATOM 0 HG22 VAL A 5 6.651 4.452 7.857 1.00 1.27 H new ATOM 0 HG23 VAL A 5 8.289 4.062 7.279 1.00 1.27 H new ATOM 76 N LYS A 6 10.265 6.143 10.797 1.00 0.52 N ATOM 77 CA LYS A 6 11.667 6.419 11.207 1.00 0.95 C ATOM 78 C LYS A 6 12.263 5.176 11.865 1.00 0.62 C ATOM 79 O LYS A 6 11.910 4.819 12.971 1.00 0.57 O ATOM 80 CB LYS A 6 11.685 7.580 12.202 1.00 1.47 C ATOM 81 CG LYS A 6 12.572 8.702 11.660 1.00 2.03 C ATOM 82 CD LYS A 6 13.051 9.580 12.819 1.00 2.48 C ATOM 83 CE LYS A 6 11.924 10.522 13.244 1.00 2.87 C ATOM 84 NZ LYS A 6 11.503 10.204 14.640 1.00 5.63 N ATOM 0 H LYS A 6 9.642 5.851 11.550 1.00 0.52 H new ATOM 0 HA LYS A 6 12.257 6.681 10.329 1.00 0.95 H new ATOM 0 HB2 LYS A 6 10.672 7.949 12.365 1.00 1.47 H new ATOM 0 HB3 LYS A 6 12.060 7.240 13.167 1.00 1.47 H new ATOM 0 HG2 LYS A 6 13.427 8.281 11.132 1.00 2.03 H new ATOM 0 HG3 LYS A 6 12.017 9.303 10.940 1.00 2.03 H new ATOM 0 HD2 LYS A 6 13.355 8.957 13.660 1.00 2.48 H new ATOM 0 HD3 LYS A 6 13.926 10.155 12.516 1.00 2.48 H new ATOM 0 HE2 LYS A 6 12.259 11.557 13.182 1.00 2.87 H new ATOM 0 HE3 LYS A 6 11.077 10.420 12.566 1.00 2.87 H new ATOM 0 HZ1 LYS A 6 10.737 10.846 14.926 1.00 5.63 H new ATOM 0 HZ2 LYS A 6 11.166 9.221 14.686 1.00 5.63 H new ATOM 0 HZ3 LYS A 6 12.312 10.323 15.282 1.00 5.63 H new ATOM 98 N ASP A 7 13.169 4.517 11.200 1.00 0.79 N ATOM 99 CA ASP A 7 13.786 3.303 11.800 1.00 0.63 C ATOM 100 C ASP A 7 14.824 3.739 12.841 1.00 0.61 C ATOM 101 O ASP A 7 15.785 4.413 12.526 1.00 0.63 O ATOM 102 CB ASP A 7 14.469 2.483 10.700 1.00 0.72 C ATOM 103 CG ASP A 7 13.436 2.077 9.645 1.00 0.58 C ATOM 104 OD1 ASP A 7 12.259 2.074 9.966 1.00 2.60 O ATOM 105 OD2 ASP A 7 13.841 1.777 8.534 1.00 1.72 O ATOM 0 H ASP A 7 13.508 4.765 10.271 1.00 0.79 H new ATOM 0 HA ASP A 7 13.020 2.692 12.278 1.00 0.63 H new ATOM 0 HB2 ASP A 7 15.265 3.067 10.238 1.00 0.72 H new ATOM 0 HB3 ASP A 7 14.933 1.595 11.129 1.00 0.72 H new ATOM 110 N CYS A 8 14.639 3.369 14.079 1.00 0.71 N ATOM 111 CA CYS A 8 15.619 3.779 15.126 1.00 0.85 C ATOM 112 C CYS A 8 16.600 2.638 15.404 1.00 0.80 C ATOM 113 O CYS A 8 17.325 2.659 16.378 1.00 0.87 O ATOM 114 CB CYS A 8 14.871 4.134 16.415 1.00 1.01 C ATOM 115 SG CYS A 8 14.550 2.626 17.364 1.00 0.64 S ATOM 0 H CYS A 8 13.857 2.804 14.410 1.00 0.71 H new ATOM 0 HA CYS A 8 16.174 4.648 14.772 1.00 0.85 H new ATOM 0 HB2 CYS A 8 15.461 4.832 17.010 1.00 1.01 H new ATOM 0 HB3 CYS A 8 13.932 4.633 16.177 1.00 1.01 H new ATOM 120 N ALA A 9 16.637 1.642 14.561 1.00 0.71 N ATOM 121 CA ALA A 9 17.583 0.514 14.794 1.00 0.71 C ATOM 122 C ALA A 9 18.877 0.773 14.034 1.00 0.73 C ATOM 123 O ALA A 9 19.904 1.074 14.608 1.00 0.84 O ATOM 124 CB ALA A 9 16.989 -0.793 14.273 1.00 0.60 C ATOM 0 H ALA A 9 16.057 1.561 13.726 1.00 0.71 H new ATOM 0 HA ALA A 9 17.770 0.438 15.865 1.00 0.71 H new ATOM 0 HB1 ALA A 9 17.691 -1.608 14.450 1.00 0.60 H new ATOM 0 HB2 ALA A 9 16.054 -1.000 14.793 1.00 0.60 H new ATOM 0 HB3 ALA A 9 16.798 -0.705 13.204 1.00 0.60 H new ATOM 130 N ASN A 10 18.825 0.634 12.743 1.00 0.65 N ATOM 131 CA ASN A 10 20.035 0.837 11.906 1.00 0.72 C ATOM 132 C ASN A 10 19.689 0.419 10.477 1.00 0.60 C ATOM 133 O ASN A 10 20.225 -0.536 9.950 1.00 0.66 O ATOM 134 CB ASN A 10 21.150 -0.054 12.453 1.00 0.83 C ATOM 135 CG ASN A 10 22.352 -0.032 11.504 1.00 2.66 C ATOM 136 OD1 ASN A 10 22.440 -0.833 10.595 1.00 5.00 O ATOM 137 ND2 ASN A 10 23.292 0.858 11.680 1.00 1.93 N ATOM 0 H ASN A 10 17.983 0.385 12.224 1.00 0.65 H new ATOM 0 HA ASN A 10 20.361 1.877 11.920 1.00 0.72 H new ATOM 0 HB2 ASN A 10 21.451 0.292 13.442 1.00 0.83 H new ATOM 0 HB3 ASN A 10 20.787 -1.075 12.569 1.00 0.83 H new ATOM 0 HD21 ASN A 10 24.098 0.879 11.055 1.00 1.93 H new ATOM 0 HD22 ASN A 10 23.220 1.532 12.443 1.00 1.93 H new ATOM 144 N ASN A 11 18.765 1.104 9.857 1.00 0.49 N ATOM 145 CA ASN A 11 18.353 0.716 8.481 1.00 0.39 C ATOM 146 C ASN A 11 17.806 -0.710 8.540 1.00 0.28 C ATOM 147 O ASN A 11 17.708 -1.397 7.541 1.00 0.37 O ATOM 148 CB ASN A 11 19.552 0.768 7.533 1.00 0.64 C ATOM 149 CG ASN A 11 19.058 0.696 6.088 1.00 0.89 C ATOM 150 OD1 ASN A 11 18.001 0.160 5.821 1.00 1.41 O ATOM 151 ND2 ASN A 11 19.782 1.218 5.137 1.00 1.86 N ATOM 0 H ASN A 11 18.280 1.913 10.245 1.00 0.49 H new ATOM 0 HA ASN A 11 17.594 1.405 8.110 1.00 0.39 H new ATOM 0 HB2 ASN A 11 20.116 1.688 7.691 1.00 0.64 H new ATOM 0 HB3 ASN A 11 20.229 -0.061 7.739 1.00 0.64 H new ATOM 0 HD21 ASN A 11 19.461 1.176 4.170 1.00 1.86 H new ATOM 0 HD22 ASN A 11 20.670 1.668 5.360 1.00 1.86 H new ATOM 158 N GLU A 12 17.453 -1.154 9.716 1.00 0.19 N ATOM 159 CA GLU A 12 16.915 -2.530 9.876 1.00 0.26 C ATOM 160 C GLU A 12 15.678 -2.701 8.997 1.00 0.26 C ATOM 161 O GLU A 12 15.749 -3.239 7.911 1.00 0.29 O ATOM 162 CB GLU A 12 16.537 -2.746 11.340 1.00 0.42 C ATOM 163 CG GLU A 12 17.597 -3.614 12.017 1.00 0.62 C ATOM 164 CD GLU A 12 17.310 -5.088 11.722 1.00 2.48 C ATOM 165 OE1 GLU A 12 16.718 -5.360 10.690 1.00 3.49 O ATOM 166 OE2 GLU A 12 17.689 -5.918 12.532 1.00 3.59 O ATOM 0 H GLU A 12 17.516 -0.615 10.579 1.00 0.19 H new ATOM 0 HA GLU A 12 17.669 -3.259 9.578 1.00 0.26 H new ATOM 0 HB2 GLU A 12 16.456 -1.787 11.851 1.00 0.42 H new ATOM 0 HB3 GLU A 12 15.561 -3.226 11.408 1.00 0.42 H new ATOM 0 HG2 GLU A 12 18.589 -3.345 11.654 1.00 0.62 H new ATOM 0 HG3 GLU A 12 17.593 -3.439 13.093 1.00 0.62 H new ATOM 173 N ILE A 13 14.544 -2.253 9.455 1.00 0.27 N ATOM 174 CA ILE A 13 13.315 -2.404 8.631 1.00 0.25 C ATOM 175 C ILE A 13 13.534 -1.752 7.269 1.00 0.32 C ATOM 176 O ILE A 13 13.891 -0.595 7.171 1.00 0.49 O ATOM 177 CB ILE A 13 12.126 -1.735 9.327 1.00 0.32 C ATOM 178 CG1 ILE A 13 12.097 -2.134 10.801 1.00 0.31 C ATOM 179 CG2 ILE A 13 10.822 -2.183 8.666 1.00 0.33 C ATOM 180 CD1 ILE A 13 10.660 -2.481 11.200 1.00 0.36 C ATOM 0 H ILE A 13 14.415 -1.793 10.356 1.00 0.27 H new ATOM 0 HA ILE A 13 13.102 -3.465 8.504 1.00 0.25 H new ATOM 0 HB ILE A 13 12.230 -0.653 9.241 1.00 0.32 H new ATOM 0 HG12 ILE A 13 12.751 -2.989 10.972 1.00 0.31 H new ATOM 0 HG13 ILE A 13 12.472 -1.318 11.419 1.00 0.31 H new ATOM 0 HG21 ILE A 13 9.979 -1.705 9.164 1.00 0.33 H new ATOM 0 HG22 ILE A 13 10.831 -1.898 7.614 1.00 0.33 H new ATOM 0 HG23 ILE A 13 10.726 -3.266 8.748 1.00 0.33 H new ATOM 0 HD11 ILE A 13 10.633 -2.767 12.252 1.00 0.36 H new ATOM 0 HD12 ILE A 13 10.019 -1.613 11.043 1.00 0.36 H new ATOM 0 HD13 ILE A 13 10.303 -3.310 10.590 1.00 0.36 H new ATOM 192 N LYS A 14 13.319 -2.487 6.215 1.00 0.24 N ATOM 193 CA LYS A 14 13.509 -1.913 4.858 1.00 0.37 C ATOM 194 C LYS A 14 12.330 -0.997 4.540 1.00 0.53 C ATOM 195 O LYS A 14 12.444 -0.083 3.750 1.00 0.85 O ATOM 196 CB LYS A 14 13.562 -3.049 3.830 1.00 0.53 C ATOM 197 CG LYS A 14 14.740 -3.971 4.152 1.00 0.60 C ATOM 198 CD LYS A 14 16.050 -3.188 4.027 1.00 0.80 C ATOM 199 CE LYS A 14 16.829 -3.276 5.340 1.00 0.38 C ATOM 200 NZ LYS A 14 18.197 -3.805 5.073 1.00 0.70 N ATOM 0 H LYS A 14 13.019 -3.462 6.236 1.00 0.24 H new ATOM 0 HA LYS A 14 14.439 -1.346 4.821 1.00 0.37 H new ATOM 0 HB2 LYS A 14 12.629 -3.613 3.846 1.00 0.53 H new ATOM 0 HB3 LYS A 14 13.670 -2.640 2.825 1.00 0.53 H new ATOM 0 HG2 LYS A 14 14.638 -4.371 5.161 1.00 0.60 H new ATOM 0 HG3 LYS A 14 14.746 -4.822 3.471 1.00 0.60 H new ATOM 0 HD2 LYS A 14 16.649 -3.590 3.210 1.00 0.80 H new ATOM 0 HD3 LYS A 14 15.841 -2.146 3.786 1.00 0.80 H new ATOM 0 HE2 LYS A 14 16.892 -2.292 5.804 1.00 0.38 H new ATOM 0 HE3 LYS A 14 16.307 -3.926 6.042 1.00 0.38 H new ATOM 0 HZ1 LYS A 14 18.727 -3.865 5.966 1.00 0.70 H new ATOM 0 HZ2 LYS A 14 18.126 -4.752 4.648 1.00 0.70 H new ATOM 0 HZ3 LYS A 14 18.694 -3.168 4.418 1.00 0.70 H new ATOM 214 N LYS A 15 11.206 -1.238 5.170 1.00 0.38 N ATOM 215 CA LYS A 15 9.992 -0.402 4.935 1.00 0.55 C ATOM 216 C LYS A 15 8.793 -1.106 5.567 1.00 0.41 C ATOM 217 O LYS A 15 8.527 -2.261 5.301 1.00 0.37 O ATOM 218 CB LYS A 15 9.737 -0.209 3.425 1.00 0.84 C ATOM 219 CG LYS A 15 8.919 -1.376 2.863 1.00 0.45 C ATOM 220 CD LYS A 15 9.747 -2.660 2.921 1.00 2.59 C ATOM 221 CE LYS A 15 10.767 -2.656 1.780 1.00 2.10 C ATOM 222 NZ LYS A 15 10.281 -3.533 0.677 1.00 2.06 N ATOM 0 H LYS A 15 11.079 -1.990 5.847 1.00 0.38 H new ATOM 0 HA LYS A 15 10.142 0.581 5.382 1.00 0.55 H new ATOM 0 HB2 LYS A 15 9.206 0.728 3.257 1.00 0.84 H new ATOM 0 HB3 LYS A 15 10.688 -0.136 2.897 1.00 0.84 H new ATOM 0 HG2 LYS A 15 8.000 -1.498 3.436 1.00 0.45 H new ATOM 0 HG3 LYS A 15 8.627 -1.166 1.834 1.00 0.45 H new ATOM 0 HD2 LYS A 15 10.258 -2.734 3.881 1.00 2.59 H new ATOM 0 HD3 LYS A 15 9.096 -3.530 2.839 1.00 2.59 H new ATOM 0 HE2 LYS A 15 10.915 -1.640 1.413 1.00 2.10 H new ATOM 0 HE3 LYS A 15 11.733 -3.008 2.140 1.00 2.10 H new ATOM 0 HZ1 LYS A 15 10.759 -4.455 0.731 1.00 2.06 H new ATOM 0 HZ2 LYS A 15 9.254 -3.669 0.769 1.00 2.06 H new ATOM 0 HZ3 LYS A 15 10.491 -3.087 -0.239 1.00 2.06 H new ATOM 236 N VAL A 16 8.068 -0.424 6.403 1.00 0.50 N ATOM 237 CA VAL A 16 6.886 -1.051 7.048 1.00 0.41 C ATOM 238 C VAL A 16 5.629 -0.489 6.384 1.00 0.40 C ATOM 239 O VAL A 16 5.448 0.708 6.292 1.00 0.49 O ATOM 240 CB VAL A 16 6.909 -0.720 8.537 1.00 0.45 C ATOM 241 CG1 VAL A 16 5.807 0.288 8.866 1.00 0.43 C ATOM 242 CG2 VAL A 16 6.683 -1.998 9.344 1.00 0.46 C ATOM 0 H VAL A 16 8.244 0.545 6.669 1.00 0.50 H new ATOM 0 HA VAL A 16 6.898 -2.135 6.932 1.00 0.41 H new ATOM 0 HB VAL A 16 7.877 -0.288 8.792 1.00 0.45 H new ATOM 0 HG11 VAL A 16 5.831 0.518 9.931 1.00 0.43 H new ATOM 0 HG12 VAL A 16 5.967 1.202 8.293 1.00 0.43 H new ATOM 0 HG13 VAL A 16 4.837 -0.137 8.608 1.00 0.43 H new ATOM 0 HG21 VAL A 16 6.699 -1.764 10.408 1.00 0.46 H new ATOM 0 HG22 VAL A 16 5.716 -2.428 9.082 1.00 0.46 H new ATOM 0 HG23 VAL A 16 7.472 -2.715 9.118 1.00 0.46 H new ATOM 252 N MET A 17 4.774 -1.338 5.882 1.00 0.28 N ATOM 253 CA MET A 17 3.558 -0.832 5.185 1.00 0.25 C ATOM 254 C MET A 17 2.297 -1.159 5.986 1.00 0.26 C ATOM 255 O MET A 17 2.221 -2.153 6.678 1.00 0.24 O ATOM 256 CB MET A 17 3.450 -1.489 3.804 1.00 0.32 C ATOM 257 CG MET A 17 4.832 -1.576 3.148 1.00 0.46 C ATOM 258 SD MET A 17 5.038 -3.211 2.399 1.00 0.47 S ATOM 259 CE MET A 17 6.760 -3.476 2.889 1.00 1.07 C ATOM 0 H MET A 17 4.864 -2.353 5.924 1.00 0.28 H new ATOM 0 HA MET A 17 3.645 0.250 5.085 1.00 0.25 H new ATOM 0 HB2 MET A 17 3.022 -2.487 3.901 1.00 0.32 H new ATOM 0 HB3 MET A 17 2.775 -0.913 3.171 1.00 0.32 H new ATOM 0 HG2 MET A 17 4.936 -0.800 2.389 1.00 0.46 H new ATOM 0 HG3 MET A 17 5.611 -1.403 3.890 1.00 0.46 H new ATOM 0 HE1 MET A 17 6.950 -4.545 2.987 1.00 1.07 H new ATOM 0 HE2 MET A 17 7.422 -3.058 2.131 1.00 1.07 H new ATOM 0 HE3 MET A 17 6.946 -2.985 3.844 1.00 1.07 H new ATOM 269 N VAL A 18 1.296 -0.330 5.866 1.00 0.33 N ATOM 270 CA VAL A 18 0.017 -0.585 6.584 1.00 0.38 C ATOM 271 C VAL A 18 -1.042 -0.974 5.554 1.00 0.29 C ATOM 272 O VAL A 18 -0.875 -0.755 4.370 1.00 0.64 O ATOM 273 CB VAL A 18 -0.432 0.683 7.312 1.00 0.46 C ATOM 274 CG1 VAL A 18 -1.704 0.390 8.116 1.00 0.57 C ATOM 275 CG2 VAL A 18 0.675 1.150 8.257 1.00 0.81 C ATOM 0 H VAL A 18 1.310 0.517 5.298 1.00 0.33 H new ATOM 0 HA VAL A 18 0.154 -1.384 7.313 1.00 0.38 H new ATOM 0 HB VAL A 18 -0.638 1.466 6.582 1.00 0.46 H new ATOM 0 HG11 VAL A 18 -2.023 1.294 8.634 1.00 0.57 H new ATOM 0 HG12 VAL A 18 -2.494 0.061 7.441 1.00 0.57 H new ATOM 0 HG13 VAL A 18 -1.501 -0.394 8.846 1.00 0.57 H new ATOM 0 HG21 VAL A 18 0.354 2.054 8.775 1.00 0.81 H new ATOM 0 HG22 VAL A 18 0.884 0.368 8.987 1.00 0.81 H new ATOM 0 HG23 VAL A 18 1.577 1.362 7.684 1.00 0.81 H new ATOM 285 N ASP A 19 -2.127 -1.549 5.984 1.00 0.48 N ATOM 286 CA ASP A 19 -3.184 -1.946 5.015 1.00 0.41 C ATOM 287 C ASP A 19 -4.124 -0.765 4.764 1.00 0.43 C ATOM 288 O ASP A 19 -5.295 -0.815 5.079 1.00 0.73 O ATOM 289 CB ASP A 19 -3.976 -3.123 5.587 1.00 0.95 C ATOM 290 CG ASP A 19 -4.571 -3.942 4.441 1.00 1.11 C ATOM 291 OD1 ASP A 19 -5.240 -3.356 3.604 1.00 1.32 O ATOM 292 OD2 ASP A 19 -4.348 -5.142 4.418 1.00 1.44 O ATOM 0 H ASP A 19 -2.328 -1.761 6.961 1.00 0.48 H new ATOM 0 HA ASP A 19 -2.722 -2.241 4.072 1.00 0.41 H new ATOM 0 HB2 ASP A 19 -3.326 -3.750 6.197 1.00 0.95 H new ATOM 0 HB3 ASP A 19 -4.770 -2.758 6.238 1.00 0.95 H new ATOM 297 N GLY A 20 -3.619 0.299 4.196 1.00 0.84 N ATOM 298 CA GLY A 20 -4.490 1.479 3.924 1.00 1.46 C ATOM 299 C GLY A 20 -3.626 2.714 3.662 1.00 1.70 C ATOM 300 O GLY A 20 -3.177 2.948 2.557 1.00 2.56 O ATOM 0 H GLY A 20 -2.645 0.401 3.910 1.00 0.84 H new ATOM 0 HA2 GLY A 20 -5.127 1.281 3.062 1.00 1.46 H new ATOM 0 HA3 GLY A 20 -5.149 1.659 4.773 1.00 1.46 H new ATOM 304 N CYS A 21 -3.397 3.510 4.670 1.00 1.23 N ATOM 305 CA CYS A 21 -2.570 4.738 4.488 1.00 1.35 C ATOM 306 C CYS A 21 -1.353 4.424 3.615 1.00 1.33 C ATOM 307 O CYS A 21 -0.910 3.295 3.531 1.00 1.31 O ATOM 308 CB CYS A 21 -2.114 5.245 5.856 1.00 1.08 C ATOM 309 SG CYS A 21 -3.541 5.904 6.747 1.00 1.52 S ATOM 0 H CYS A 21 -3.748 3.363 5.616 1.00 1.23 H new ATOM 0 HA CYS A 21 -3.165 5.507 3.995 1.00 1.35 H new ATOM 0 HB2 CYS A 21 -1.657 4.435 6.424 1.00 1.08 H new ATOM 0 HB3 CYS A 21 -1.355 6.018 5.737 1.00 1.08 H new ATOM 314 N HIS A 22 -0.816 5.415 2.955 1.00 1.68 N ATOM 315 CA HIS A 22 0.364 5.172 2.078 1.00 1.99 C ATOM 316 C HIS A 22 1.065 6.497 1.759 1.00 1.58 C ATOM 317 O HIS A 22 0.573 7.302 0.993 1.00 1.53 O ATOM 318 CB HIS A 22 -0.115 4.530 0.778 1.00 3.38 C ATOM 319 CG HIS A 22 -0.978 5.512 0.032 1.00 2.94 C ATOM 320 ND1 HIS A 22 -2.091 6.103 0.609 1.00 2.52 N ATOM 321 CD2 HIS A 22 -0.896 6.027 -1.236 1.00 4.12 C ATOM 322 CE1 HIS A 22 -2.629 6.933 -0.304 1.00 2.72 C ATOM 323 NE2 HIS A 22 -1.939 6.924 -1.448 1.00 4.19 N ATOM 0 H HIS A 22 -1.143 6.381 2.986 1.00 1.68 H new ATOM 0 HA HIS A 22 1.067 4.514 2.589 1.00 1.99 H new ATOM 0 HB2 HIS A 22 0.739 4.239 0.166 1.00 3.38 H new ATOM 0 HB3 HIS A 22 -0.678 3.622 0.992 1.00 3.38 H new ATOM 0 HD2 HIS A 22 -0.136 5.775 -1.961 1.00 4.12 H new ATOM 0 HE1 HIS A 22 -3.511 7.533 -0.133 1.00 2.72 H new ATOM 0 HE2 HIS A 22 -2.134 7.459 -2.294 1.00 4.19 H new ATOM 331 N GLY A 23 2.214 6.729 2.328 1.00 2.66 N ATOM 332 CA GLY A 23 2.943 7.997 2.041 1.00 3.03 C ATOM 333 C GLY A 23 2.813 8.952 3.227 1.00 1.94 C ATOM 334 O GLY A 23 2.726 8.538 4.366 1.00 2.04 O ATOM 0 H GLY A 23 2.680 6.097 2.979 1.00 2.66 H new ATOM 0 HA2 GLY A 23 3.995 7.786 1.846 1.00 3.03 H new ATOM 0 HA3 GLY A 23 2.540 8.463 1.142 1.00 3.03 H new ATOM 338 N SER A 24 2.803 10.231 2.967 1.00 1.44 N ATOM 339 CA SER A 24 2.683 11.217 4.076 1.00 0.50 C ATOM 340 C SER A 24 1.206 11.474 4.381 1.00 0.38 C ATOM 341 O SER A 24 0.849 12.489 4.946 1.00 0.84 O ATOM 342 CB SER A 24 3.352 12.529 3.663 1.00 1.55 C ATOM 343 OG SER A 24 3.094 13.518 4.650 1.00 2.02 O ATOM 0 H SER A 24 2.873 10.635 2.033 1.00 1.44 H new ATOM 0 HA SER A 24 3.171 10.820 4.966 1.00 0.50 H new ATOM 0 HB2 SER A 24 4.426 12.383 3.550 1.00 1.55 H new ATOM 0 HB3 SER A 24 2.971 12.856 2.695 1.00 1.55 H new ATOM 0 HG SER A 24 2.130 13.683 4.703 1.00 2.02 H new ATOM 349 N ASP A 25 0.343 10.566 4.016 1.00 0.36 N ATOM 350 CA ASP A 25 -1.107 10.771 4.295 1.00 0.76 C ATOM 351 C ASP A 25 -1.386 10.471 5.769 1.00 0.69 C ATOM 352 O ASP A 25 -0.641 9.755 6.409 1.00 0.60 O ATOM 353 CB ASP A 25 -1.935 9.828 3.417 1.00 1.13 C ATOM 354 CG ASP A 25 -2.677 10.635 2.349 1.00 1.56 C ATOM 355 OD1 ASP A 25 -2.829 11.831 2.534 1.00 1.38 O ATOM 356 OD2 ASP A 25 -3.084 10.042 1.363 1.00 2.33 O ATOM 0 H ASP A 25 0.577 9.695 3.539 1.00 0.36 H new ATOM 0 HA ASP A 25 -1.378 11.803 4.074 1.00 0.76 H new ATOM 0 HB2 ASP A 25 -1.285 9.092 2.944 1.00 1.13 H new ATOM 0 HB3 ASP A 25 -2.648 9.277 4.030 1.00 1.13 H new ATOM 361 N PRO A 26 -2.458 11.030 6.261 1.00 0.77 N ATOM 362 CA PRO A 26 -2.880 10.849 7.660 1.00 0.77 C ATOM 363 C PRO A 26 -3.549 9.481 7.840 1.00 0.74 C ATOM 364 O PRO A 26 -4.013 8.878 6.892 1.00 0.77 O ATOM 365 CB PRO A 26 -3.879 11.988 7.881 1.00 0.90 C ATOM 366 CG PRO A 26 -4.392 12.398 6.479 1.00 0.97 C ATOM 367 CD PRO A 26 -3.347 11.897 5.464 1.00 0.90 C ATOM 0 HA PRO A 26 -2.053 10.875 8.370 1.00 0.77 H new ATOM 0 HB2 PRO A 26 -4.703 11.664 8.517 1.00 0.90 H new ATOM 0 HB3 PRO A 26 -3.403 12.831 8.382 1.00 0.90 H new ATOM 0 HG2 PRO A 26 -5.369 11.957 6.279 1.00 0.97 H new ATOM 0 HG3 PRO A 26 -4.511 13.479 6.411 1.00 0.97 H new ATOM 0 HD2 PRO A 26 -3.816 11.346 4.649 1.00 0.90 H new ATOM 0 HD3 PRO A 26 -2.799 12.725 5.015 1.00 0.90 H new ATOM 375 N CYS A 27 -3.598 8.985 9.048 1.00 0.76 N ATOM 376 CA CYS A 27 -4.232 7.657 9.286 1.00 0.75 C ATOM 377 C CYS A 27 -5.227 7.768 10.446 1.00 0.68 C ATOM 378 O CYS A 27 -4.982 8.450 11.415 1.00 0.75 O ATOM 379 CB CYS A 27 -3.151 6.635 9.647 1.00 0.76 C ATOM 380 SG CYS A 27 -3.346 5.163 8.614 1.00 2.67 S ATOM 0 H CYS A 27 -3.226 9.443 9.880 1.00 0.76 H new ATOM 0 HA CYS A 27 -4.754 7.337 8.384 1.00 0.75 H new ATOM 0 HB2 CYS A 27 -2.162 7.068 9.499 1.00 0.76 H new ATOM 0 HB3 CYS A 27 -3.227 6.366 10.701 1.00 0.76 H new ATOM 385 N ILE A 28 -6.343 7.096 10.360 1.00 0.62 N ATOM 386 CA ILE A 28 -7.333 7.160 11.468 1.00 0.54 C ATOM 387 C ILE A 28 -7.422 5.794 12.135 1.00 0.42 C ATOM 388 O ILE A 28 -7.876 4.833 11.546 1.00 0.41 O ATOM 389 CB ILE A 28 -8.709 7.545 10.927 1.00 0.62 C ATOM 390 CG1 ILE A 28 -8.614 8.889 10.202 1.00 0.80 C ATOM 391 CG2 ILE A 28 -9.694 7.664 12.093 1.00 0.42 C ATOM 392 CD1 ILE A 28 -8.139 9.964 11.182 1.00 0.81 C ATOM 0 H ILE A 28 -6.610 6.507 9.571 1.00 0.62 H new ATOM 0 HA ILE A 28 -7.013 7.911 12.190 1.00 0.54 H new ATOM 0 HB ILE A 28 -9.055 6.781 10.231 1.00 0.62 H new ATOM 0 HG12 ILE A 28 -7.921 8.814 9.364 1.00 0.80 H new ATOM 0 HG13 ILE A 28 -9.585 9.161 9.789 1.00 0.80 H new ATOM 0 HG21 ILE A 28 -10.678 7.939 11.712 1.00 0.42 H new ATOM 0 HG22 ILE A 28 -9.760 6.708 12.612 1.00 0.42 H new ATOM 0 HG23 ILE A 28 -9.347 8.430 12.786 1.00 0.42 H new ATOM 0 HD11 ILE A 28 -8.071 10.922 10.666 1.00 0.81 H new ATOM 0 HD12 ILE A 28 -8.849 10.045 12.005 1.00 0.81 H new ATOM 0 HD13 ILE A 28 -7.159 9.692 11.573 1.00 0.81 H new ATOM 404 N ILE A 29 -7.000 5.695 13.359 1.00 0.45 N ATOM 405 CA ILE A 29 -7.073 4.387 14.053 1.00 0.38 C ATOM 406 C ILE A 29 -8.308 4.368 14.951 1.00 0.36 C ATOM 407 O ILE A 29 -8.377 5.069 15.939 1.00 0.30 O ATOM 408 CB ILE A 29 -5.818 4.198 14.907 1.00 0.33 C ATOM 409 CG1 ILE A 29 -4.612 3.967 13.995 1.00 0.45 C ATOM 410 CG2 ILE A 29 -5.997 2.989 15.826 1.00 0.14 C ATOM 411 CD1 ILE A 29 -3.337 4.402 14.719 1.00 0.69 C ATOM 0 H ILE A 29 -6.609 6.461 13.908 1.00 0.45 H new ATOM 0 HA ILE A 29 -7.139 3.582 13.321 1.00 0.38 H new ATOM 0 HB ILE A 29 -5.655 5.091 15.511 1.00 0.33 H new ATOM 0 HG12 ILE A 29 -4.546 2.914 13.720 1.00 0.45 H new ATOM 0 HG13 ILE A 29 -4.728 4.531 13.070 1.00 0.45 H new ATOM 0 HG21 ILE A 29 -5.101 2.857 16.433 1.00 0.14 H new ATOM 0 HG22 ILE A 29 -6.856 3.151 16.477 1.00 0.14 H new ATOM 0 HG23 ILE A 29 -6.162 2.095 15.224 1.00 0.14 H new ATOM 0 HD11 ILE A 29 -2.476 4.238 14.070 1.00 0.69 H new ATOM 0 HD12 ILE A 29 -3.405 5.460 14.971 1.00 0.69 H new ATOM 0 HD13 ILE A 29 -3.220 3.818 15.632 1.00 0.69 H new ATOM 423 N HIS A 30 -9.276 3.558 14.629 1.00 0.42 N ATOM 424 CA HIS A 30 -10.491 3.490 15.482 1.00 0.43 C ATOM 425 C HIS A 30 -10.247 2.448 16.571 1.00 0.36 C ATOM 426 O HIS A 30 -10.255 1.263 16.313 1.00 0.33 O ATOM 427 CB HIS A 30 -11.697 3.075 14.636 1.00 0.54 C ATOM 428 CG HIS A 30 -11.879 4.054 13.511 1.00 0.76 C ATOM 429 ND1 HIS A 30 -12.741 3.816 12.452 1.00 0.98 N ATOM 430 CD2 HIS A 30 -11.320 5.284 13.270 1.00 1.95 C ATOM 431 CE1 HIS A 30 -12.679 4.881 11.632 1.00 0.76 C ATOM 432 NE2 HIS A 30 -11.827 5.806 12.085 1.00 1.58 N ATOM 0 H HIS A 30 -9.278 2.943 13.815 1.00 0.42 H new ATOM 0 HA HIS A 30 -10.694 4.465 15.926 1.00 0.43 H new ATOM 0 HB2 HIS A 30 -11.548 2.071 14.238 1.00 0.54 H new ATOM 0 HB3 HIS A 30 -12.595 3.043 15.254 1.00 0.54 H new ATOM 0 HD1 HIS A 30 -13.317 2.985 12.319 1.00 0.98 H new ATOM 0 HD2 HIS A 30 -10.596 5.773 13.905 1.00 1.95 H new ATOM 0 HE1 HIS A 30 -13.248 4.977 10.719 1.00 0.76 H new ATOM 440 N ARG A 31 -10.004 2.870 17.780 1.00 0.32 N ATOM 441 CA ARG A 31 -9.735 1.880 18.858 1.00 0.24 C ATOM 442 C ARG A 31 -10.756 0.747 18.787 1.00 0.29 C ATOM 443 O ARG A 31 -11.951 0.963 18.837 1.00 0.65 O ATOM 444 CB ARG A 31 -9.802 2.552 20.220 1.00 0.28 C ATOM 445 CG ARG A 31 -11.213 3.032 20.497 1.00 0.72 C ATOM 446 CD ARG A 31 -11.121 4.178 21.486 1.00 0.61 C ATOM 447 NE ARG A 31 -12.449 4.828 21.617 1.00 0.17 N ATOM 448 CZ ARG A 31 -12.933 5.089 22.800 1.00 0.33 C ATOM 449 NH1 ARG A 31 -13.459 4.132 23.515 1.00 0.52 N ATOM 450 NH2 ARG A 31 -12.892 6.307 23.266 1.00 0.63 N ATOM 0 H ARG A 31 -9.980 3.849 18.066 1.00 0.32 H new ATOM 0 HA ARG A 31 -8.734 1.471 18.718 1.00 0.24 H new ATOM 0 HB2 ARG A 31 -9.489 1.852 20.995 1.00 0.28 H new ATOM 0 HB3 ARG A 31 -9.110 3.394 20.253 1.00 0.28 H new ATOM 0 HG2 ARG A 31 -11.694 3.359 19.575 1.00 0.72 H new ATOM 0 HG3 ARG A 31 -11.820 2.223 20.904 1.00 0.72 H new ATOM 0 HD2 ARG A 31 -10.788 3.809 22.456 1.00 0.61 H new ATOM 0 HD3 ARG A 31 -10.381 4.904 21.150 1.00 0.61 H new ATOM 0 HE ARG A 31 -12.983 5.070 20.782 1.00 0.17 H new ATOM 0 HH11 ARG A 31 -13.491 3.181 23.149 1.00 0.52 H new ATOM 0 HH12 ARG A 31 -13.838 4.336 24.440 1.00 0.52 H new ATOM 0 HH21 ARG A 31 -12.482 7.054 22.705 1.00 0.63 H new ATOM 0 HH22 ARG A 31 -13.270 6.512 24.191 1.00 0.63 H new ATOM 464 N GLY A 32 -10.288 -0.463 18.664 1.00 0.13 N ATOM 465 CA GLY A 32 -11.216 -1.625 18.579 1.00 0.12 C ATOM 466 C GLY A 32 -11.047 -2.301 17.216 1.00 0.13 C ATOM 467 O GLY A 32 -11.526 -3.394 16.987 1.00 0.17 O ATOM 0 H GLY A 32 -9.297 -0.699 18.618 1.00 0.13 H new ATOM 0 HA2 GLY A 32 -11.005 -2.334 19.379 1.00 0.12 H new ATOM 0 HA3 GLY A 32 -12.246 -1.294 18.710 1.00 0.12 H new ATOM 471 N LYS A 33 -10.358 -1.659 16.313 1.00 0.09 N ATOM 472 CA LYS A 33 -10.140 -2.254 14.966 1.00 0.14 C ATOM 473 C LYS A 33 -8.710 -2.784 14.889 1.00 0.12 C ATOM 474 O LYS A 33 -7.825 -2.260 15.528 1.00 0.10 O ATOM 475 CB LYS A 33 -10.335 -1.178 13.895 1.00 0.19 C ATOM 476 CG LYS A 33 -9.092 -1.117 13.004 1.00 0.49 C ATOM 477 CD LYS A 33 -9.262 -0.028 11.939 1.00 0.94 C ATOM 478 CE LYS A 33 -10.702 0.489 11.948 1.00 0.28 C ATOM 479 NZ LYS A 33 -10.837 1.594 10.957 1.00 1.35 N ATOM 0 H LYS A 33 -9.934 -0.742 16.452 1.00 0.09 H new ATOM 0 HA LYS A 33 -10.850 -3.064 14.800 1.00 0.14 H new ATOM 0 HB2 LYS A 33 -11.216 -1.403 13.294 1.00 0.19 H new ATOM 0 HB3 LYS A 33 -10.508 -0.209 14.364 1.00 0.19 H new ATOM 0 HG2 LYS A 33 -8.210 -0.910 13.610 1.00 0.49 H new ATOM 0 HG3 LYS A 33 -8.930 -2.083 12.525 1.00 0.49 H new ATOM 0 HD2 LYS A 33 -8.571 0.792 12.132 1.00 0.94 H new ATOM 0 HD3 LYS A 33 -9.016 -0.428 10.955 1.00 0.94 H new ATOM 0 HE2 LYS A 33 -11.392 -0.319 11.704 1.00 0.28 H new ATOM 0 HE3 LYS A 33 -10.966 0.844 12.944 1.00 0.28 H new ATOM 0 HZ1 LYS A 33 -11.441 2.343 11.352 1.00 1.35 H new ATOM 0 HZ2 LYS A 33 -9.897 1.984 10.742 1.00 1.35 H new ATOM 0 HZ3 LYS A 33 -11.267 1.227 10.084 1.00 1.35 H new ATOM 493 N PRO A 34 -8.531 -3.808 14.109 1.00 0.17 N ATOM 494 CA PRO A 34 -7.215 -4.437 13.925 1.00 0.21 C ATOM 495 C PRO A 34 -6.359 -3.627 12.944 1.00 0.28 C ATOM 496 O PRO A 34 -6.724 -3.424 11.803 1.00 0.38 O ATOM 497 CB PRO A 34 -7.555 -5.810 13.342 1.00 0.25 C ATOM 498 CG PRO A 34 -8.957 -5.672 12.699 1.00 0.29 C ATOM 499 CD PRO A 34 -9.621 -4.440 13.343 1.00 0.22 C ATOM 0 HA PRO A 34 -6.639 -4.497 14.848 1.00 0.21 H new ATOM 0 HB2 PRO A 34 -6.815 -6.112 12.601 1.00 0.25 H new ATOM 0 HB3 PRO A 34 -7.557 -6.573 14.120 1.00 0.25 H new ATOM 0 HG2 PRO A 34 -8.877 -5.548 11.619 1.00 0.29 H new ATOM 0 HG3 PRO A 34 -9.553 -6.568 12.874 1.00 0.29 H new ATOM 0 HD2 PRO A 34 -10.024 -3.764 12.589 1.00 0.22 H new ATOM 0 HD3 PRO A 34 -10.450 -4.726 13.990 1.00 0.22 H new ATOM 507 N PHE A 35 -5.214 -3.182 13.380 1.00 0.27 N ATOM 508 CA PHE A 35 -4.313 -2.403 12.485 1.00 0.34 C ATOM 509 C PHE A 35 -3.279 -3.373 11.920 1.00 0.17 C ATOM 510 O PHE A 35 -2.561 -4.013 12.653 1.00 0.19 O ATOM 511 CB PHE A 35 -3.613 -1.322 13.305 1.00 0.50 C ATOM 512 CG PHE A 35 -3.409 -0.083 12.468 1.00 0.58 C ATOM 513 CD1 PHE A 35 -4.453 0.835 12.305 1.00 0.86 C ATOM 514 CD2 PHE A 35 -2.170 0.151 11.863 1.00 0.42 C ATOM 515 CE1 PHE A 35 -4.255 1.988 11.535 1.00 1.01 C ATOM 516 CE2 PHE A 35 -1.972 1.302 11.093 1.00 0.57 C ATOM 517 CZ PHE A 35 -3.015 2.221 10.928 1.00 0.87 C ATOM 0 H PHE A 35 -4.861 -3.326 14.326 1.00 0.27 H new ATOM 0 HA PHE A 35 -4.872 -1.929 11.678 1.00 0.34 H new ATOM 0 HB2 PHE A 35 -4.208 -1.081 14.186 1.00 0.50 H new ATOM 0 HB3 PHE A 35 -2.651 -1.691 13.662 1.00 0.50 H new ATOM 0 HD1 PHE A 35 -5.410 0.654 12.772 1.00 0.86 H new ATOM 0 HD2 PHE A 35 -1.365 -0.558 11.990 1.00 0.42 H new ATOM 0 HE1 PHE A 35 -5.059 2.698 11.409 1.00 1.01 H new ATOM 0 HE2 PHE A 35 -1.015 1.482 10.626 1.00 0.57 H new ATOM 0 HZ PHE A 35 -2.863 3.109 10.333 1.00 0.87 H new ATOM 527 N THR A 36 -3.206 -3.515 10.631 1.00 0.21 N ATOM 528 CA THR A 36 -2.231 -4.489 10.070 1.00 0.23 C ATOM 529 C THR A 36 -0.987 -3.772 9.560 1.00 0.16 C ATOM 530 O THR A 36 -1.061 -2.857 8.764 1.00 0.18 O ATOM 531 CB THR A 36 -2.882 -5.256 8.919 1.00 0.47 C ATOM 532 OG1 THR A 36 -3.980 -6.009 9.416 1.00 0.56 O ATOM 533 CG2 THR A 36 -1.857 -6.201 8.289 1.00 0.59 C ATOM 0 H THR A 36 -3.769 -3.008 9.948 1.00 0.21 H new ATOM 0 HA THR A 36 -1.937 -5.181 10.859 1.00 0.23 H new ATOM 0 HB THR A 36 -3.235 -4.552 8.166 1.00 0.47 H new ATOM 0 HG1 THR A 36 -4.400 -6.500 8.679 1.00 0.56 H new ATOM 0 HG21 THR A 36 -2.322 -6.747 7.468 1.00 0.59 H new ATOM 0 HG22 THR A 36 -1.015 -5.623 7.909 1.00 0.59 H new ATOM 0 HG23 THR A 36 -1.503 -6.907 9.040 1.00 0.59 H new ATOM 541 N LEU A 37 0.159 -4.200 10.000 1.00 0.13 N ATOM 542 CA LEU A 37 1.414 -3.568 9.530 1.00 0.12 C ATOM 543 C LEU A 37 2.449 -4.659 9.262 1.00 0.14 C ATOM 544 O LEU A 37 2.775 -5.450 10.123 1.00 0.19 O ATOM 545 CB LEU A 37 1.969 -2.568 10.568 1.00 0.13 C ATOM 546 CG LEU A 37 1.609 -2.959 12.016 1.00 0.33 C ATOM 547 CD1 LEU A 37 0.095 -2.904 12.234 1.00 0.67 C ATOM 548 CD2 LEU A 37 2.129 -4.365 12.331 1.00 0.65 C ATOM 0 H LEU A 37 0.279 -4.963 10.667 1.00 0.13 H new ATOM 0 HA LEU A 37 1.201 -3.014 8.616 1.00 0.12 H new ATOM 0 HB2 LEU A 37 3.053 -2.511 10.469 1.00 0.13 H new ATOM 0 HB3 LEU A 37 1.577 -1.573 10.355 1.00 0.13 H new ATOM 0 HG LEU A 37 2.083 -2.244 12.688 1.00 0.33 H new ATOM 0 HD11 LEU A 37 -0.135 -3.184 13.262 1.00 0.67 H new ATOM 0 HD12 LEU A 37 -0.263 -1.892 12.044 1.00 0.67 H new ATOM 0 HD13 LEU A 37 -0.396 -3.597 11.551 1.00 0.67 H new ATOM 0 HD21 LEU A 37 1.868 -4.628 13.356 1.00 0.65 H new ATOM 0 HD22 LEU A 37 1.677 -5.082 11.646 1.00 0.65 H new ATOM 0 HD23 LEU A 37 3.213 -4.386 12.216 1.00 0.65 H new ATOM 560 N GLU A 38 2.976 -4.697 8.072 1.00 0.11 N ATOM 561 CA GLU A 38 4.002 -5.719 7.742 1.00 0.14 C ATOM 562 C GLU A 38 5.357 -5.026 7.726 1.00 0.12 C ATOM 563 O GLU A 38 5.495 -3.936 7.205 1.00 0.25 O ATOM 564 CB GLU A 38 3.716 -6.314 6.363 1.00 0.17 C ATOM 565 CG GLU A 38 4.592 -7.549 6.149 1.00 0.63 C ATOM 566 CD GLU A 38 4.661 -7.873 4.656 1.00 0.74 C ATOM 567 OE1 GLU A 38 4.175 -7.074 3.873 1.00 0.65 O ATOM 568 OE2 GLU A 38 5.197 -8.917 4.321 1.00 1.71 O ATOM 0 H GLU A 38 2.738 -4.061 7.311 1.00 0.11 H new ATOM 0 HA GLU A 38 3.989 -6.523 8.478 1.00 0.14 H new ATOM 0 HB2 GLU A 38 2.663 -6.584 6.283 1.00 0.17 H new ATOM 0 HB3 GLU A 38 3.916 -5.575 5.588 1.00 0.17 H new ATOM 0 HG2 GLU A 38 5.594 -7.370 6.540 1.00 0.63 H new ATOM 0 HG3 GLU A 38 4.183 -8.397 6.698 1.00 0.63 H new ATOM 575 N ALA A 39 6.356 -5.619 8.306 1.00 0.07 N ATOM 576 CA ALA A 39 7.673 -4.946 8.323 1.00 0.09 C ATOM 577 C ALA A 39 8.772 -5.914 7.920 1.00 0.10 C ATOM 578 O ALA A 39 8.983 -6.931 8.551 1.00 0.08 O ATOM 579 CB ALA A 39 7.953 -4.440 9.736 1.00 0.09 C ATOM 0 H ALA A 39 6.318 -6.530 8.764 1.00 0.07 H new ATOM 0 HA ALA A 39 7.655 -4.117 7.616 1.00 0.09 H new ATOM 0 HB1 ALA A 39 8.922 -3.942 9.759 1.00 0.09 H new ATOM 0 HB2 ALA A 39 7.176 -3.735 10.031 1.00 0.09 H new ATOM 0 HB3 ALA A 39 7.961 -5.281 10.429 1.00 0.09 H new ATOM 585 N LEU A 40 9.512 -5.578 6.907 1.00 0.11 N ATOM 586 CA LEU A 40 10.636 -6.450 6.509 1.00 0.11 C ATOM 587 C LEU A 40 11.821 -5.980 7.321 1.00 0.10 C ATOM 588 O LEU A 40 12.023 -4.799 7.478 1.00 0.17 O ATOM 589 CB LEU A 40 10.958 -6.279 5.027 1.00 0.09 C ATOM 590 CG LEU A 40 9.717 -6.546 4.191 1.00 0.17 C ATOM 591 CD1 LEU A 40 9.813 -5.760 2.884 1.00 0.15 C ATOM 592 CD2 LEU A 40 9.646 -8.039 3.885 1.00 0.23 C ATOM 0 H LEU A 40 9.385 -4.739 6.341 1.00 0.11 H new ATOM 0 HA LEU A 40 10.394 -7.499 6.679 1.00 0.11 H new ATOM 0 HB2 LEU A 40 11.322 -5.269 4.840 1.00 0.09 H new ATOM 0 HB3 LEU A 40 11.755 -6.964 4.738 1.00 0.09 H new ATOM 0 HG LEU A 40 8.824 -6.236 4.734 1.00 0.17 H new ATOM 0 HD11 LEU A 40 8.925 -5.948 2.280 1.00 0.15 H new ATOM 0 HD12 LEU A 40 9.883 -4.695 3.104 1.00 0.15 H new ATOM 0 HD13 LEU A 40 10.699 -6.076 2.334 1.00 0.15 H new ATOM 0 HD21 LEU A 40 8.760 -8.246 3.285 1.00 0.23 H new ATOM 0 HD22 LEU A 40 10.536 -8.340 3.333 1.00 0.23 H new ATOM 0 HD23 LEU A 40 9.591 -8.599 4.818 1.00 0.23 H new ATOM 604 N PHE A 41 12.596 -6.858 7.856 1.00 0.17 N ATOM 605 CA PHE A 41 13.742 -6.379 8.668 1.00 0.19 C ATOM 606 C PHE A 41 14.868 -7.395 8.634 1.00 0.17 C ATOM 607 O PHE A 41 14.661 -8.582 8.788 1.00 0.18 O ATOM 608 CB PHE A 41 13.286 -6.150 10.108 1.00 0.22 C ATOM 609 CG PHE A 41 12.607 -7.386 10.630 1.00 0.19 C ATOM 610 CD1 PHE A 41 13.372 -8.419 11.172 1.00 0.16 C ATOM 611 CD2 PHE A 41 11.212 -7.491 10.583 1.00 0.21 C ATOM 612 CE1 PHE A 41 12.746 -9.565 11.668 1.00 0.14 C ATOM 613 CE2 PHE A 41 10.578 -8.637 11.079 1.00 0.20 C ATOM 614 CZ PHE A 41 11.347 -9.676 11.624 1.00 0.17 C ATOM 0 H PHE A 41 12.496 -7.870 7.774 1.00 0.17 H new ATOM 0 HA PHE A 41 14.108 -5.440 8.252 1.00 0.19 H new ATOM 0 HB2 PHE A 41 14.142 -5.902 10.735 1.00 0.22 H new ATOM 0 HB3 PHE A 41 12.602 -5.302 10.152 1.00 0.22 H new ATOM 0 HD1 PHE A 41 14.448 -8.333 11.208 1.00 0.16 H new ATOM 0 HD2 PHE A 41 10.624 -6.688 10.164 1.00 0.21 H new ATOM 0 HE1 PHE A 41 13.338 -10.366 12.085 1.00 0.14 H new ATOM 0 HE2 PHE A 41 9.502 -8.720 11.042 1.00 0.20 H new ATOM 0 HZ PHE A 41 10.863 -10.561 12.010 1.00 0.17 H new ATOM 624 N ASP A 42 16.067 -6.936 8.441 1.00 0.18 N ATOM 625 CA ASP A 42 17.212 -7.877 8.403 1.00 0.17 C ATOM 626 C ASP A 42 17.639 -8.172 9.830 1.00 0.18 C ATOM 627 O ASP A 42 18.206 -7.343 10.512 1.00 0.14 O ATOM 628 CB ASP A 42 18.380 -7.253 7.633 1.00 0.22 C ATOM 629 CG ASP A 42 17.955 -6.983 6.189 1.00 0.34 C ATOM 630 OD1 ASP A 42 16.854 -6.494 5.998 1.00 0.45 O ATOM 631 OD2 ASP A 42 18.737 -7.269 5.298 1.00 0.66 O ATOM 0 H ASP A 42 16.304 -5.953 8.308 1.00 0.18 H new ATOM 0 HA ASP A 42 16.917 -8.798 7.900 1.00 0.17 H new ATOM 0 HB2 ASP A 42 18.690 -6.324 8.112 1.00 0.22 H new ATOM 0 HB3 ASP A 42 19.240 -7.923 7.651 1.00 0.22 H new ATOM 636 N ALA A 43 17.356 -9.353 10.284 1.00 0.25 N ATOM 637 CA ALA A 43 17.723 -9.730 11.665 1.00 0.27 C ATOM 638 C ALA A 43 19.164 -9.291 11.939 1.00 0.17 C ATOM 639 O ALA A 43 20.097 -9.788 11.343 1.00 0.19 O ATOM 640 CB ALA A 43 17.615 -11.246 11.781 1.00 0.36 C ATOM 0 H ALA A 43 16.881 -10.080 9.750 1.00 0.25 H new ATOM 0 HA ALA A 43 17.062 -9.249 12.387 1.00 0.27 H new ATOM 0 HB1 ALA A 43 17.881 -11.553 12.792 1.00 0.36 H new ATOM 0 HB2 ALA A 43 16.593 -11.556 11.565 1.00 0.36 H new ATOM 0 HB3 ALA A 43 18.294 -11.715 11.069 1.00 0.36 H new ATOM 646 N ASN A 44 19.356 -8.362 12.837 1.00 0.12 N ATOM 647 CA ASN A 44 20.741 -7.903 13.139 1.00 0.02 C ATOM 648 C ASN A 44 21.373 -8.848 14.161 1.00 0.11 C ATOM 649 O ASN A 44 22.426 -8.580 14.703 1.00 0.14 O ATOM 650 CB ASN A 44 20.699 -6.482 13.711 1.00 0.14 C ATOM 651 CG ASN A 44 20.676 -6.544 15.239 1.00 0.45 C ATOM 652 OD1 ASN A 44 21.703 -6.702 15.870 1.00 0.76 O ATOM 653 ND2 ASN A 44 19.540 -6.421 15.869 1.00 0.51 N ATOM 0 H ASN A 44 18.618 -7.904 13.371 1.00 0.12 H new ATOM 0 HA ASN A 44 21.334 -7.904 12.224 1.00 0.02 H new ATOM 0 HB2 ASN A 44 21.568 -5.917 13.373 1.00 0.14 H new ATOM 0 HB3 ASN A 44 19.816 -5.958 13.345 1.00 0.14 H new ATOM 0 HD21 ASN A 44 19.515 -6.458 16.888 1.00 0.51 H new ATOM 0 HD22 ASN A 44 18.677 -6.288 15.342 1.00 0.51 H new ATOM 660 N GLN A 45 20.738 -9.957 14.424 1.00 0.18 N ATOM 661 CA GLN A 45 21.298 -10.922 15.406 1.00 0.29 C ATOM 662 C GLN A 45 20.558 -12.256 15.281 1.00 0.30 C ATOM 663 O GLN A 45 19.372 -12.293 15.017 1.00 0.48 O ATOM 664 CB GLN A 45 21.118 -10.377 16.815 1.00 0.39 C ATOM 665 CG GLN A 45 19.680 -9.902 16.981 1.00 0.83 C ATOM 666 CD GLN A 45 19.583 -8.957 18.180 1.00 0.43 C ATOM 667 OE1 GLN A 45 20.577 -8.424 18.630 1.00 0.72 O ATOM 668 NE2 GLN A 45 18.418 -8.725 18.719 1.00 0.61 N ATOM 0 H GLN A 45 19.853 -10.235 13.999 1.00 0.18 H new ATOM 0 HA GLN A 45 22.359 -11.069 15.207 1.00 0.29 H new ATOM 0 HB2 GLN A 45 21.347 -11.149 17.550 1.00 0.39 H new ATOM 0 HB3 GLN A 45 21.810 -9.553 16.992 1.00 0.39 H new ATOM 0 HG2 GLN A 45 19.349 -9.392 16.076 1.00 0.83 H new ATOM 0 HG3 GLN A 45 19.019 -10.757 17.125 1.00 0.83 H new ATOM 0 HE21 GLN A 45 17.583 -9.173 18.341 1.00 0.61 H new ATOM 0 HE22 GLN A 45 18.342 -8.096 19.518 1.00 0.61 H new ATOM 677 N ASN A 46 21.242 -13.350 15.470 1.00 0.33 N ATOM 678 CA ASN A 46 20.565 -14.673 15.362 1.00 0.42 C ATOM 679 C ASN A 46 19.893 -15.001 16.693 1.00 0.37 C ATOM 680 O ASN A 46 20.547 -15.257 17.685 1.00 0.58 O ATOM 681 CB ASN A 46 21.597 -15.753 15.031 1.00 0.59 C ATOM 682 CG ASN A 46 22.593 -15.877 16.184 1.00 0.65 C ATOM 683 OD1 ASN A 46 22.378 -16.636 17.109 1.00 0.62 O ATOM 684 ND2 ASN A 46 23.683 -15.160 16.171 1.00 0.76 N ATOM 0 H ASN A 46 22.237 -13.386 15.694 1.00 0.33 H new ATOM 0 HA ASN A 46 19.816 -14.637 14.571 1.00 0.42 H new ATOM 0 HB2 ASN A 46 21.099 -16.708 14.863 1.00 0.59 H new ATOM 0 HB3 ASN A 46 22.121 -15.500 14.109 1.00 0.59 H new ATOM 0 HD21 ASN A 46 24.353 -15.237 16.936 1.00 0.76 H new ATOM 0 HD22 ASN A 46 23.865 -14.523 15.396 1.00 0.76 H new ATOM 691 N THR A 47 18.590 -14.981 16.730 1.00 0.32 N ATOM 692 CA THR A 47 17.886 -15.274 18.003 1.00 0.22 C ATOM 693 C THR A 47 16.855 -16.389 17.782 1.00 0.20 C ATOM 694 O THR A 47 16.322 -16.554 16.703 1.00 0.32 O ATOM 695 CB THR A 47 17.187 -14.001 18.475 1.00 0.14 C ATOM 696 OG1 THR A 47 16.285 -14.317 19.518 1.00 0.13 O ATOM 697 CG2 THR A 47 16.425 -13.376 17.306 1.00 0.18 C ATOM 0 H THR A 47 17.986 -14.775 15.934 1.00 0.32 H new ATOM 0 HA THR A 47 18.599 -15.606 18.757 1.00 0.22 H new ATOM 0 HB THR A 47 17.929 -13.292 18.843 1.00 0.14 H new ATOM 0 HG1 THR A 47 15.377 -14.060 19.254 1.00 0.13 H new ATOM 0 HG21 THR A 47 15.926 -12.467 17.642 1.00 0.18 H new ATOM 0 HG22 THR A 47 17.123 -13.132 16.505 1.00 0.18 H new ATOM 0 HG23 THR A 47 15.682 -14.083 16.936 1.00 0.18 H new ATOM 705 N LYS A 48 16.574 -17.156 18.804 1.00 0.21 N ATOM 706 CA LYS A 48 15.581 -18.262 18.670 1.00 0.21 C ATOM 707 C LYS A 48 14.188 -17.714 18.922 1.00 0.20 C ATOM 708 O LYS A 48 13.196 -18.295 18.527 1.00 0.27 O ATOM 709 CB LYS A 48 15.891 -19.342 19.705 1.00 0.22 C ATOM 710 CG LYS A 48 17.015 -20.231 19.185 1.00 0.24 C ATOM 711 CD LYS A 48 16.436 -21.265 18.217 1.00 0.24 C ATOM 712 CE LYS A 48 15.338 -22.063 18.923 1.00 0.22 C ATOM 713 NZ LYS A 48 15.519 -23.516 18.642 1.00 0.39 N ATOM 0 H LYS A 48 16.992 -17.063 19.730 1.00 0.21 H new ATOM 0 HA LYS A 48 15.634 -18.686 17.667 1.00 0.21 H new ATOM 0 HB2 LYS A 48 16.182 -18.883 20.650 1.00 0.22 H new ATOM 0 HB3 LYS A 48 15.001 -19.939 19.902 1.00 0.22 H new ATOM 0 HG2 LYS A 48 17.769 -19.626 18.681 1.00 0.24 H new ATOM 0 HG3 LYS A 48 17.512 -20.732 20.016 1.00 0.24 H new ATOM 0 HD2 LYS A 48 16.030 -20.768 17.336 1.00 0.24 H new ATOM 0 HD3 LYS A 48 17.222 -21.935 17.870 1.00 0.24 H new ATOM 0 HE2 LYS A 48 15.376 -21.882 19.997 1.00 0.22 H new ATOM 0 HE3 LYS A 48 14.357 -21.735 18.579 1.00 0.22 H new ATOM 0 HZ1 LYS A 48 14.772 -24.058 19.122 1.00 0.39 H new ATOM 0 HZ2 LYS A 48 15.462 -23.681 17.617 1.00 0.39 H new ATOM 0 HZ3 LYS A 48 16.449 -23.824 18.991 1.00 0.39 H new ATOM 727 N THR A 49 14.106 -16.601 19.581 1.00 0.18 N ATOM 728 CA THR A 49 12.777 -16.012 19.865 1.00 0.18 C ATOM 729 C THR A 49 12.775 -14.531 19.516 1.00 0.20 C ATOM 730 O THR A 49 13.707 -13.804 19.786 1.00 0.23 O ATOM 731 CB THR A 49 12.446 -16.197 21.342 1.00 0.18 C ATOM 732 OG1 THR A 49 13.592 -15.904 22.128 1.00 0.18 O ATOM 733 CG2 THR A 49 12.017 -17.643 21.571 1.00 0.25 C ATOM 0 H THR A 49 14.903 -16.072 19.936 1.00 0.18 H new ATOM 0 HA THR A 49 12.025 -16.516 19.258 1.00 0.18 H new ATOM 0 HB THR A 49 11.639 -15.523 21.630 1.00 0.18 H new ATOM 0 HG1 THR A 49 13.923 -15.009 21.903 1.00 0.18 H new ATOM 0 HG21 THR A 49 11.777 -17.789 22.624 1.00 0.25 H new ATOM 0 HG22 THR A 49 11.138 -17.862 20.965 1.00 0.25 H new ATOM 0 HG23 THR A 49 12.829 -18.313 21.288 1.00 0.25 H new ATOM 741 N ALA A 50 11.714 -14.086 18.929 1.00 0.24 N ATOM 742 CA ALA A 50 11.597 -12.660 18.555 1.00 0.29 C ATOM 743 C ALA A 50 10.175 -12.217 18.863 1.00 0.47 C ATOM 744 O ALA A 50 9.256 -13.002 18.803 1.00 0.59 O ATOM 745 CB ALA A 50 11.895 -12.489 17.066 1.00 0.28 C ATOM 0 H ALA A 50 10.906 -14.660 18.687 1.00 0.24 H new ATOM 0 HA ALA A 50 12.310 -12.055 19.115 1.00 0.29 H new ATOM 0 HB1 ALA A 50 11.807 -11.437 16.796 1.00 0.28 H new ATOM 0 HB2 ALA A 50 12.907 -12.835 16.855 1.00 0.28 H new ATOM 0 HB3 ALA A 50 11.183 -13.074 16.483 1.00 0.28 H new ATOM 751 N LYS A 51 9.985 -10.982 19.224 1.00 0.53 N ATOM 752 CA LYS A 51 8.617 -10.516 19.574 1.00 0.68 C ATOM 753 C LYS A 51 8.388 -9.105 19.049 1.00 0.51 C ATOM 754 O LYS A 51 9.263 -8.267 19.086 1.00 0.47 O ATOM 755 CB LYS A 51 8.486 -10.516 21.091 1.00 0.98 C ATOM 756 CG LYS A 51 7.643 -9.327 21.540 1.00 2.02 C ATOM 757 CD LYS A 51 7.157 -9.577 22.967 1.00 1.21 C ATOM 758 CE LYS A 51 8.064 -8.830 23.948 1.00 0.52 C ATOM 759 NZ LYS A 51 7.896 -9.404 25.312 1.00 0.32 N ATOM 0 H LYS A 51 10.717 -10.275 19.292 1.00 0.53 H new ATOM 0 HA LYS A 51 7.878 -11.179 19.124 1.00 0.68 H new ATOM 0 HB2 LYS A 51 8.026 -11.446 21.425 1.00 0.98 H new ATOM 0 HB3 LYS A 51 9.473 -10.467 21.550 1.00 0.98 H new ATOM 0 HG2 LYS A 51 8.231 -8.410 21.497 1.00 2.02 H new ATOM 0 HG3 LYS A 51 6.794 -9.193 20.870 1.00 2.02 H new ATOM 0 HD2 LYS A 51 6.127 -9.239 23.077 1.00 1.21 H new ATOM 0 HD3 LYS A 51 7.167 -10.645 23.185 1.00 1.21 H new ATOM 0 HE2 LYS A 51 9.104 -8.911 23.633 1.00 0.52 H new ATOM 0 HE3 LYS A 51 7.815 -7.769 23.955 1.00 0.52 H new ATOM 0 HZ1 LYS A 51 8.512 -8.898 25.980 1.00 0.32 H new ATOM 0 HZ2 LYS A 51 6.905 -9.304 25.611 1.00 0.32 H new ATOM 0 HZ3 LYS A 51 8.154 -10.411 25.299 1.00 0.32 H new ATOM 773 N ILE A 52 7.207 -8.826 18.583 1.00 0.49 N ATOM 774 CA ILE A 52 6.927 -7.455 18.087 1.00 0.33 C ATOM 775 C ILE A 52 6.364 -6.648 19.253 1.00 0.47 C ATOM 776 O ILE A 52 5.753 -7.185 20.157 1.00 0.60 O ATOM 777 CB ILE A 52 5.922 -7.495 16.936 1.00 0.27 C ATOM 778 CG1 ILE A 52 5.508 -6.063 16.580 1.00 0.11 C ATOM 779 CG2 ILE A 52 4.694 -8.294 17.360 1.00 0.50 C ATOM 780 CD1 ILE A 52 4.502 -6.086 15.430 1.00 0.56 C ATOM 0 H ILE A 52 6.429 -9.482 18.524 1.00 0.49 H new ATOM 0 HA ILE A 52 7.841 -6.996 17.710 1.00 0.33 H new ATOM 0 HB ILE A 52 6.377 -7.970 16.067 1.00 0.27 H new ATOM 0 HG12 ILE A 52 5.069 -5.575 17.450 1.00 0.11 H new ATOM 0 HG13 ILE A 52 6.385 -5.481 16.297 1.00 0.11 H new ATOM 0 HG21 ILE A 52 3.977 -8.323 16.539 1.00 0.50 H new ATOM 0 HG22 ILE A 52 4.992 -9.310 17.617 1.00 0.50 H new ATOM 0 HG23 ILE A 52 4.234 -7.821 18.227 1.00 0.50 H new ATOM 0 HD11 ILE A 52 4.211 -5.066 15.181 1.00 0.56 H new ATOM 0 HD12 ILE A 52 4.957 -6.557 14.558 1.00 0.56 H new ATOM 0 HD13 ILE A 52 3.620 -6.652 15.729 1.00 0.56 H new ATOM 792 N GLU A 53 6.606 -5.376 19.267 1.00 0.46 N ATOM 793 CA GLU A 53 6.147 -4.535 20.383 1.00 0.59 C ATOM 794 C GLU A 53 5.759 -3.163 19.832 1.00 0.45 C ATOM 795 O GLU A 53 6.580 -2.456 19.288 1.00 0.59 O ATOM 796 CB GLU A 53 7.333 -4.402 21.326 1.00 0.90 C ATOM 797 CG GLU A 53 6.904 -3.826 22.659 1.00 0.62 C ATOM 798 CD GLU A 53 5.391 -3.593 22.682 1.00 3.30 C ATOM 799 OE1 GLU A 53 4.673 -4.528 22.998 1.00 4.84 O ATOM 800 OE2 GLU A 53 4.976 -2.486 22.382 1.00 3.87 O ATOM 0 H GLU A 53 7.113 -4.878 18.536 1.00 0.46 H new ATOM 0 HA GLU A 53 5.285 -4.960 20.897 1.00 0.59 H new ATOM 0 HB2 GLU A 53 7.792 -5.379 21.479 1.00 0.90 H new ATOM 0 HB3 GLU A 53 8.090 -3.761 20.875 1.00 0.90 H new ATOM 0 HG2 GLU A 53 7.185 -4.506 23.463 1.00 0.62 H new ATOM 0 HG3 GLU A 53 7.425 -2.886 22.840 1.00 0.62 H new ATOM 807 N ILE A 54 4.521 -2.779 19.948 1.00 0.25 N ATOM 808 CA ILE A 54 4.122 -1.459 19.396 1.00 0.34 C ATOM 809 C ILE A 54 3.814 -0.467 20.533 1.00 0.43 C ATOM 810 O ILE A 54 3.131 -0.789 21.484 1.00 0.60 O ATOM 811 CB ILE A 54 2.882 -1.638 18.514 1.00 0.34 C ATOM 812 CG1 ILE A 54 3.087 -2.823 17.560 1.00 0.28 C ATOM 813 CG2 ILE A 54 2.650 -0.368 17.699 1.00 0.60 C ATOM 814 CD1 ILE A 54 2.731 -4.115 18.284 1.00 0.34 C ATOM 0 H ILE A 54 3.777 -3.314 20.395 1.00 0.25 H new ATOM 0 HA ILE A 54 4.944 -1.058 18.803 1.00 0.34 H new ATOM 0 HB ILE A 54 2.017 -1.831 19.148 1.00 0.34 H new ATOM 0 HG12 ILE A 54 2.463 -2.705 16.674 1.00 0.28 H new ATOM 0 HG13 ILE A 54 4.122 -2.856 17.219 1.00 0.28 H new ATOM 0 HG21 ILE A 54 1.768 -0.495 17.071 1.00 0.60 H new ATOM 0 HG22 ILE A 54 2.497 0.474 18.374 1.00 0.60 H new ATOM 0 HG23 ILE A 54 3.519 -0.176 17.069 1.00 0.60 H new ATOM 0 HD11 ILE A 54 2.875 -4.961 17.611 1.00 0.34 H new ATOM 0 HD12 ILE A 54 3.374 -4.232 19.156 1.00 0.34 H new ATOM 0 HD13 ILE A 54 1.689 -4.078 18.603 1.00 0.34 H new ATOM 826 N LYS A 55 4.307 0.746 20.430 1.00 0.34 N ATOM 827 CA LYS A 55 4.037 1.772 21.490 1.00 0.44 C ATOM 828 C LYS A 55 3.431 3.010 20.838 1.00 0.44 C ATOM 829 O LYS A 55 3.921 3.500 19.844 1.00 0.38 O ATOM 830 CB LYS A 55 5.344 2.156 22.183 1.00 0.48 C ATOM 831 CG LYS A 55 5.728 1.039 23.141 1.00 0.51 C ATOM 832 CD LYS A 55 6.686 1.572 24.209 1.00 0.48 C ATOM 833 CE LYS A 55 6.957 0.474 25.241 1.00 1.32 C ATOM 834 NZ LYS A 55 7.368 1.095 26.532 1.00 1.87 N ATOM 0 H LYS A 55 4.886 1.070 19.656 1.00 0.34 H new ATOM 0 HA LYS A 55 3.347 1.362 22.227 1.00 0.44 H new ATOM 0 HB2 LYS A 55 6.132 2.311 21.446 1.00 0.48 H new ATOM 0 HB3 LYS A 55 5.224 3.095 22.724 1.00 0.48 H new ATOM 0 HG2 LYS A 55 4.835 0.631 23.613 1.00 0.51 H new ATOM 0 HG3 LYS A 55 6.199 0.224 22.592 1.00 0.51 H new ATOM 0 HD2 LYS A 55 7.620 1.892 23.748 1.00 0.48 H new ATOM 0 HD3 LYS A 55 6.255 2.446 24.696 1.00 0.48 H new ATOM 0 HE2 LYS A 55 6.063 -0.133 25.385 1.00 1.32 H new ATOM 0 HE3 LYS A 55 7.740 -0.193 24.881 1.00 1.32 H new ATOM 0 HZ1 LYS A 55 7.698 0.355 27.184 1.00 1.87 H new ATOM 0 HZ2 LYS A 55 8.137 1.774 26.361 1.00 1.87 H new ATOM 0 HZ3 LYS A 55 6.556 1.590 26.953 1.00 1.87 H new ATOM 848 N ALA A 56 2.362 3.521 21.372 1.00 0.51 N ATOM 849 CA ALA A 56 1.735 4.718 20.735 1.00 0.53 C ATOM 850 C ALA A 56 1.911 5.967 21.600 1.00 0.58 C ATOM 851 O ALA A 56 1.907 5.910 22.811 1.00 0.82 O ATOM 852 CB ALA A 56 0.243 4.456 20.525 1.00 0.53 C ATOM 0 H ALA A 56 1.897 3.172 22.210 1.00 0.51 H new ATOM 0 HA ALA A 56 2.228 4.892 19.779 1.00 0.53 H new ATOM 0 HB1 ALA A 56 -0.218 5.328 20.060 1.00 0.53 H new ATOM 0 HB2 ALA A 56 0.113 3.589 19.878 1.00 0.53 H new ATOM 0 HB3 ALA A 56 -0.232 4.265 21.487 1.00 0.53 H new ATOM 858 N SER A 57 2.041 7.103 20.967 1.00 0.37 N ATOM 859 CA SER A 57 2.190 8.383 21.717 1.00 0.45 C ATOM 860 C SER A 57 0.882 9.164 21.585 1.00 0.37 C ATOM 861 O SER A 57 0.169 9.025 20.612 1.00 0.26 O ATOM 862 CB SER A 57 3.337 9.202 21.123 1.00 0.50 C ATOM 863 OG SER A 57 2.803 10.278 20.362 1.00 0.72 O ATOM 0 H SER A 57 2.050 7.199 19.952 1.00 0.37 H new ATOM 0 HA SER A 57 2.410 8.182 22.765 1.00 0.45 H new ATOM 0 HB2 SER A 57 3.975 9.586 21.919 1.00 0.50 H new ATOM 0 HB3 SER A 57 3.961 8.570 20.492 1.00 0.50 H new ATOM 0 HG SER A 57 3.536 10.805 19.982 1.00 0.72 H new ATOM 869 N LEU A 58 0.544 9.970 22.552 1.00 0.43 N ATOM 870 CA LEU A 58 -0.737 10.727 22.453 1.00 0.35 C ATOM 871 C LEU A 58 -0.474 12.233 22.502 1.00 0.23 C ATOM 872 O LEU A 58 -0.944 12.931 23.378 1.00 0.10 O ATOM 873 CB LEU A 58 -1.648 10.326 23.607 1.00 0.38 C ATOM 874 CG LEU A 58 -1.734 8.798 23.673 1.00 0.58 C ATOM 875 CD1 LEU A 58 -2.615 8.380 24.852 1.00 0.69 C ATOM 876 CD2 LEU A 58 -2.340 8.261 22.373 1.00 0.58 C ATOM 0 H LEU A 58 1.090 10.137 23.397 1.00 0.43 H new ATOM 0 HA LEU A 58 -1.218 10.490 21.504 1.00 0.35 H new ATOM 0 HB2 LEU A 58 -1.261 10.721 24.546 1.00 0.38 H new ATOM 0 HB3 LEU A 58 -2.641 10.752 23.467 1.00 0.38 H new ATOM 0 HG LEU A 58 -0.732 8.389 23.806 1.00 0.58 H new ATOM 0 HD11 LEU A 58 -2.673 7.292 24.895 1.00 0.69 H new ATOM 0 HD12 LEU A 58 -2.185 8.757 25.780 1.00 0.69 H new ATOM 0 HD13 LEU A 58 -3.616 8.792 24.722 1.00 0.69 H new ATOM 0 HD21 LEU A 58 -2.400 7.174 22.422 1.00 0.58 H new ATOM 0 HD22 LEU A 58 -3.340 8.674 22.240 1.00 0.58 H new ATOM 0 HD23 LEU A 58 -1.712 8.552 21.531 1.00 0.58 H new ATOM 888 N ASP A 59 0.263 12.734 21.552 1.00 0.43 N ATOM 889 CA ASP A 59 0.556 14.195 21.511 1.00 0.49 C ATOM 890 C ASP A 59 0.861 14.710 22.921 1.00 0.37 C ATOM 891 O ASP A 59 0.661 15.870 23.221 1.00 0.38 O ATOM 892 CB ASP A 59 -0.660 14.937 20.953 1.00 0.54 C ATOM 893 CG ASP A 59 -0.200 16.187 20.202 1.00 0.67 C ATOM 894 OD1 ASP A 59 0.787 16.772 20.615 1.00 1.10 O ATOM 895 OD2 ASP A 59 -0.844 16.539 19.227 1.00 0.56 O ATOM 0 H ASP A 59 0.679 12.191 20.796 1.00 0.43 H new ATOM 0 HA ASP A 59 1.423 14.369 20.873 1.00 0.49 H new ATOM 0 HB2 ASP A 59 -1.221 14.285 20.284 1.00 0.54 H new ATOM 0 HB3 ASP A 59 -1.332 15.215 21.764 1.00 0.54 H new ATOM 900 N GLY A 60 1.345 13.863 23.787 1.00 0.34 N ATOM 901 CA GLY A 60 1.659 14.316 25.174 1.00 0.30 C ATOM 902 C GLY A 60 1.682 13.111 26.114 1.00 0.28 C ATOM 903 O GLY A 60 2.610 12.926 26.876 1.00 0.20 O ATOM 0 H GLY A 60 1.537 12.879 23.596 1.00 0.34 H new ATOM 0 HA2 GLY A 60 2.624 14.823 25.192 1.00 0.30 H new ATOM 0 HA3 GLY A 60 0.914 15.037 25.509 1.00 0.30 H new ATOM 907 N LEU A 61 0.670 12.290 26.064 1.00 0.38 N ATOM 908 CA LEU A 61 0.636 11.097 26.952 1.00 0.43 C ATOM 909 C LEU A 61 1.121 9.880 26.164 1.00 0.39 C ATOM 910 O LEU A 61 0.479 9.437 25.232 1.00 0.46 O ATOM 911 CB LEU A 61 -0.800 10.868 27.431 1.00 0.61 C ATOM 912 CG LEU A 61 -0.991 9.403 27.818 1.00 0.51 C ATOM 913 CD1 LEU A 61 -0.051 9.051 28.972 1.00 0.67 C ATOM 914 CD2 LEU A 61 -2.440 9.182 28.255 1.00 0.78 C ATOM 0 H LEU A 61 -0.135 12.395 25.446 1.00 0.38 H new ATOM 0 HA LEU A 61 1.282 11.252 27.816 1.00 0.43 H new ATOM 0 HB2 LEU A 61 -1.014 11.510 28.285 1.00 0.61 H new ATOM 0 HB3 LEU A 61 -1.503 11.140 26.644 1.00 0.61 H new ATOM 0 HG LEU A 61 -0.765 8.767 26.962 1.00 0.51 H new ATOM 0 HD11 LEU A 61 -0.188 8.005 29.247 1.00 0.67 H new ATOM 0 HD12 LEU A 61 0.982 9.212 28.662 1.00 0.67 H new ATOM 0 HD13 LEU A 61 -0.275 9.684 29.830 1.00 0.67 H new ATOM 0 HD21 LEU A 61 -2.581 8.137 28.532 1.00 0.78 H new ATOM 0 HD22 LEU A 61 -2.663 9.818 29.112 1.00 0.78 H new ATOM 0 HD23 LEU A 61 -3.110 9.433 27.433 1.00 0.78 H new ATOM 926 N GLU A 62 2.252 9.337 26.523 1.00 0.34 N ATOM 927 CA GLU A 62 2.773 8.155 25.783 1.00 0.31 C ATOM 928 C GLU A 62 2.310 6.872 26.473 1.00 0.26 C ATOM 929 O GLU A 62 2.553 6.659 27.645 1.00 0.39 O ATOM 930 CB GLU A 62 4.301 8.200 25.759 1.00 0.48 C ATOM 931 CG GLU A 62 4.765 9.140 24.644 1.00 2.79 C ATOM 932 CD GLU A 62 5.507 10.331 25.255 1.00 4.02 C ATOM 933 OE1 GLU A 62 6.132 10.148 26.288 1.00 3.63 O ATOM 934 OE2 GLU A 62 5.438 11.406 24.681 1.00 5.47 O ATOM 0 H GLU A 62 2.836 9.660 27.295 1.00 0.34 H new ATOM 0 HA GLU A 62 2.393 8.172 24.761 1.00 0.31 H new ATOM 0 HB2 GLU A 62 4.681 8.544 26.721 1.00 0.48 H new ATOM 0 HB3 GLU A 62 4.703 7.200 25.597 1.00 0.48 H new ATOM 0 HG2 GLU A 62 5.418 8.607 23.953 1.00 2.79 H new ATOM 0 HG3 GLU A 62 3.908 9.489 24.068 1.00 2.79 H new ATOM 941 N ILE A 63 1.636 6.019 25.754 1.00 0.25 N ATOM 942 CA ILE A 63 1.144 4.759 26.350 1.00 0.26 C ATOM 943 C ILE A 63 1.782 3.577 25.630 1.00 0.30 C ATOM 944 O ILE A 63 2.382 3.706 24.581 1.00 0.28 O ATOM 945 CB ILE A 63 -0.369 4.700 26.153 1.00 0.23 C ATOM 946 CG1 ILE A 63 -1.073 5.511 27.240 1.00 0.31 C ATOM 947 CG2 ILE A 63 -0.874 3.263 26.175 1.00 0.24 C ATOM 948 CD1 ILE A 63 -2.572 5.547 26.943 1.00 0.54 C ATOM 0 H ILE A 63 1.406 6.148 24.769 1.00 0.25 H new ATOM 0 HA ILE A 63 1.396 4.719 27.410 1.00 0.26 H new ATOM 0 HB ILE A 63 -0.596 5.127 25.176 1.00 0.23 H new ATOM 0 HG12 ILE A 63 -0.894 5.065 28.218 1.00 0.31 H new ATOM 0 HG13 ILE A 63 -0.672 6.524 27.273 1.00 0.31 H new ATOM 0 HG21 ILE A 63 -1.955 3.255 26.032 1.00 0.24 H new ATOM 0 HG22 ILE A 63 -0.398 2.698 25.374 1.00 0.24 H new ATOM 0 HG23 ILE A 63 -0.631 2.807 27.135 1.00 0.24 H new ATOM 0 HD11 ILE A 63 -3.082 6.124 27.714 1.00 0.54 H new ATOM 0 HD12 ILE A 63 -2.739 6.012 25.972 1.00 0.54 H new ATOM 0 HD13 ILE A 63 -2.965 4.530 26.931 1.00 0.54 H new ATOM 960 N ASP A 64 1.609 2.427 26.181 1.00 0.38 N ATOM 961 CA ASP A 64 2.138 1.185 25.558 1.00 0.42 C ATOM 962 C ASP A 64 0.939 0.404 25.023 1.00 0.41 C ATOM 963 O ASP A 64 -0.070 0.284 25.688 1.00 0.45 O ATOM 964 CB ASP A 64 2.879 0.353 26.608 1.00 0.47 C ATOM 965 CG ASP A 64 3.837 1.255 27.392 1.00 0.52 C ATOM 966 OD1 ASP A 64 4.529 2.039 26.764 1.00 0.57 O ATOM 967 OD2 ASP A 64 3.862 1.145 28.608 1.00 0.62 O ATOM 0 H ASP A 64 1.112 2.282 27.060 1.00 0.38 H new ATOM 0 HA ASP A 64 2.837 1.418 24.755 1.00 0.42 H new ATOM 0 HB2 ASP A 64 2.166 -0.114 27.287 1.00 0.47 H new ATOM 0 HB3 ASP A 64 3.434 -0.451 26.125 1.00 0.47 H new ATOM 972 N VAL A 65 1.013 -0.101 23.826 1.00 0.43 N ATOM 973 CA VAL A 65 -0.158 -0.836 23.272 1.00 0.41 C ATOM 974 C VAL A 65 0.088 -2.352 23.308 1.00 0.44 C ATOM 975 O VAL A 65 0.870 -2.869 22.535 1.00 0.50 O ATOM 976 CB VAL A 65 -0.381 -0.386 21.832 1.00 0.40 C ATOM 977 CG1 VAL A 65 -1.883 -0.389 21.512 1.00 0.86 C ATOM 978 CG2 VAL A 65 0.172 1.034 21.652 1.00 0.56 C ATOM 0 H VAL A 65 1.824 -0.039 23.211 1.00 0.43 H new ATOM 0 HA VAL A 65 -1.039 -0.618 23.876 1.00 0.41 H new ATOM 0 HB VAL A 65 0.133 -1.071 21.158 1.00 0.40 H new ATOM 0 HG11 VAL A 65 -2.036 -0.067 20.482 1.00 0.86 H new ATOM 0 HG12 VAL A 65 -2.280 -1.396 21.640 1.00 0.86 H new ATOM 0 HG13 VAL A 65 -2.400 0.294 22.186 1.00 0.86 H new ATOM 0 HG21 VAL A 65 0.014 1.358 20.623 1.00 0.56 H new ATOM 0 HG22 VAL A 65 -0.344 1.714 22.330 1.00 0.56 H new ATOM 0 HG23 VAL A 65 1.239 1.040 21.874 1.00 0.56 H new ATOM 988 N PRO A 66 -0.603 -3.017 24.203 1.00 0.42 N ATOM 989 CA PRO A 66 -0.507 -4.479 24.373 1.00 0.48 C ATOM 990 C PRO A 66 -1.379 -5.185 23.327 1.00 0.53 C ATOM 991 O PRO A 66 -1.646 -4.650 22.269 1.00 0.55 O ATOM 992 CB PRO A 66 -1.054 -4.707 25.787 1.00 0.46 C ATOM 993 CG PRO A 66 -1.943 -3.484 26.115 1.00 0.40 C ATOM 994 CD PRO A 66 -1.540 -2.366 25.136 1.00 0.36 C ATOM 0 HA PRO A 66 0.503 -4.869 24.245 1.00 0.48 H new ATOM 0 HB2 PRO A 66 -1.631 -5.631 25.836 1.00 0.46 H new ATOM 0 HB3 PRO A 66 -0.241 -4.800 26.507 1.00 0.46 H new ATOM 0 HG2 PRO A 66 -2.999 -3.733 26.005 1.00 0.40 H new ATOM 0 HG3 PRO A 66 -1.797 -3.165 27.147 1.00 0.40 H new ATOM 0 HD2 PRO A 66 -2.408 -1.964 24.612 1.00 0.36 H new ATOM 0 HD3 PRO A 66 -1.068 -1.533 25.657 1.00 0.36 H new ATOM 1002 N GLY A 67 -1.830 -6.379 23.610 1.00 0.54 N ATOM 1003 CA GLY A 67 -2.685 -7.101 22.626 1.00 0.60 C ATOM 1004 C GLY A 67 -1.854 -7.445 21.390 1.00 0.65 C ATOM 1005 O GLY A 67 -2.348 -7.451 20.279 1.00 0.89 O ATOM 0 H GLY A 67 -1.643 -6.883 24.477 1.00 0.54 H new ATOM 0 HA2 GLY A 67 -3.085 -8.011 23.074 1.00 0.60 H new ATOM 0 HA3 GLY A 67 -3.537 -6.482 22.345 1.00 0.60 H new ATOM 1009 N ILE A 68 -0.596 -7.729 21.574 1.00 0.62 N ATOM 1010 CA ILE A 68 0.269 -8.071 20.413 1.00 0.75 C ATOM 1011 C ILE A 68 0.591 -9.566 20.443 1.00 0.55 C ATOM 1012 O ILE A 68 0.173 -10.280 21.332 1.00 0.42 O ATOM 1013 CB ILE A 68 1.568 -7.277 20.509 1.00 1.17 C ATOM 1014 CG1 ILE A 68 1.375 -6.118 21.481 1.00 0.72 C ATOM 1015 CG2 ILE A 68 1.939 -6.730 19.130 1.00 2.59 C ATOM 1016 CD1 ILE A 68 2.608 -5.224 21.439 1.00 0.74 C ATOM 0 H ILE A 68 -0.129 -7.739 22.481 1.00 0.62 H new ATOM 0 HA ILE A 68 -0.248 -7.827 19.485 1.00 0.75 H new ATOM 0 HB ILE A 68 2.368 -7.926 20.865 1.00 1.17 H new ATOM 0 HG12 ILE A 68 0.486 -5.546 21.213 1.00 0.72 H new ATOM 0 HG13 ILE A 68 1.218 -6.496 22.491 1.00 0.72 H new ATOM 0 HG21 ILE A 68 2.867 -6.163 19.201 1.00 2.59 H new ATOM 0 HG22 ILE A 68 2.072 -7.558 18.434 1.00 2.59 H new ATOM 0 HG23 ILE A 68 1.143 -6.078 18.771 1.00 2.59 H new ATOM 0 HD11 ILE A 68 2.478 -4.392 22.131 1.00 0.74 H new ATOM 0 HD12 ILE A 68 3.486 -5.802 21.727 1.00 0.74 H new ATOM 0 HD13 ILE A 68 2.743 -4.837 20.429 1.00 0.74 H new ATOM 1028 N ASP A 69 1.343 -10.050 19.491 1.00 0.68 N ATOM 1029 CA ASP A 69 1.694 -11.497 19.496 1.00 0.83 C ATOM 1030 C ASP A 69 2.931 -11.713 20.361 1.00 1.25 C ATOM 1031 O ASP A 69 3.388 -12.825 20.537 1.00 3.15 O ATOM 1032 CB ASP A 69 1.982 -11.972 18.067 1.00 0.80 C ATOM 1033 CG ASP A 69 1.336 -13.342 17.844 1.00 1.77 C ATOM 1034 OD1 ASP A 69 0.165 -13.375 17.507 1.00 2.97 O ATOM 1035 OD2 ASP A 69 2.026 -14.335 18.013 1.00 2.38 O ATOM 0 H ASP A 69 1.726 -9.509 18.716 1.00 0.68 H new ATOM 0 HA ASP A 69 0.857 -12.067 19.899 1.00 0.83 H new ATOM 0 HB2 ASP A 69 1.591 -11.252 17.348 1.00 0.80 H new ATOM 0 HB3 ASP A 69 3.058 -12.034 17.903 1.00 0.80 H new ATOM 1040 N THR A 70 3.453 -10.645 20.899 1.00 0.62 N ATOM 1041 CA THR A 70 4.672 -10.711 21.767 1.00 0.38 C ATOM 1042 C THR A 70 5.554 -11.871 21.334 1.00 0.36 C ATOM 1043 O THR A 70 6.170 -12.541 22.141 1.00 0.36 O ATOM 1044 CB THR A 70 4.264 -10.893 23.230 1.00 0.43 C ATOM 1045 OG1 THR A 70 3.357 -11.982 23.334 1.00 0.52 O ATOM 1046 CG2 THR A 70 3.594 -9.616 23.740 1.00 0.64 C ATOM 0 H THR A 70 3.079 -9.705 20.772 1.00 0.62 H new ATOM 0 HA THR A 70 5.228 -9.779 21.665 1.00 0.38 H new ATOM 0 HB THR A 70 5.150 -11.098 23.831 1.00 0.43 H new ATOM 0 HG1 THR A 70 3.095 -12.102 24.271 1.00 0.52 H new ATOM 0 HG21 THR A 70 3.304 -9.748 24.782 1.00 0.64 H new ATOM 0 HG22 THR A 70 4.292 -8.782 23.660 1.00 0.64 H new ATOM 0 HG23 THR A 70 2.708 -9.406 23.141 1.00 0.64 H new ATOM 1054 N ASN A 71 5.609 -12.110 20.062 1.00 0.35 N ATOM 1055 CA ASN A 71 6.429 -13.223 19.537 1.00 0.34 C ATOM 1056 C ASN A 71 6.172 -13.320 18.033 1.00 0.35 C ATOM 1057 O ASN A 71 5.250 -13.972 17.584 1.00 0.45 O ATOM 1058 CB ASN A 71 6.025 -14.512 20.247 1.00 0.28 C ATOM 1059 CG ASN A 71 6.763 -15.697 19.622 1.00 0.35 C ATOM 1060 OD1 ASN A 71 6.679 -15.921 18.431 1.00 1.35 O ATOM 1061 ND2 ASN A 71 7.487 -16.472 20.382 1.00 0.88 N ATOM 0 H ASN A 71 5.112 -11.572 19.352 1.00 0.35 H new ATOM 0 HA ASN A 71 7.492 -13.056 19.713 1.00 0.34 H new ATOM 0 HB2 ASN A 71 6.261 -14.443 21.309 1.00 0.28 H new ATOM 0 HB3 ASN A 71 4.948 -14.660 20.169 1.00 0.28 H new ATOM 0 HD21 ASN A 71 7.982 -17.266 19.976 1.00 0.88 H new ATOM 0 HD22 ASN A 71 7.558 -16.284 21.382 1.00 0.88 H new ATOM 1068 N ALA A 72 6.963 -12.632 17.258 1.00 0.39 N ATOM 1069 CA ALA A 72 6.765 -12.621 15.787 1.00 0.44 C ATOM 1070 C ALA A 72 7.240 -13.930 15.162 1.00 0.43 C ATOM 1071 O ALA A 72 7.193 -14.095 13.964 1.00 0.41 O ATOM 1072 CB ALA A 72 7.556 -11.457 15.197 1.00 0.53 C ATOM 0 H ALA A 72 7.748 -12.070 17.588 1.00 0.39 H new ATOM 0 HA ALA A 72 5.702 -12.508 15.572 1.00 0.44 H new ATOM 0 HB1 ALA A 72 7.420 -11.436 14.116 1.00 0.53 H new ATOM 0 HB2 ALA A 72 7.200 -10.520 15.626 1.00 0.53 H new ATOM 0 HB3 ALA A 72 8.614 -11.582 15.427 1.00 0.53 H new ATOM 1078 N CYS A 73 7.695 -14.861 15.950 1.00 0.47 N ATOM 1079 CA CYS A 73 8.160 -16.152 15.368 1.00 0.48 C ATOM 1080 C CYS A 73 6.963 -16.896 14.771 1.00 0.48 C ATOM 1081 O CYS A 73 7.115 -17.891 14.092 1.00 0.51 O ATOM 1082 CB CYS A 73 8.803 -17.009 16.459 1.00 0.54 C ATOM 1083 SG CYS A 73 10.386 -16.280 16.945 1.00 2.67 S ATOM 0 H CYS A 73 7.766 -14.787 16.965 1.00 0.47 H new ATOM 0 HA CYS A 73 8.896 -15.955 14.588 1.00 0.48 H new ATOM 0 HB2 CYS A 73 8.141 -17.075 17.322 1.00 0.54 H new ATOM 0 HB3 CYS A 73 8.955 -18.025 16.096 1.00 0.54 H new ATOM 1088 N HIS A 74 5.773 -16.421 15.019 1.00 0.48 N ATOM 1089 CA HIS A 74 4.567 -17.100 14.465 1.00 0.48 C ATOM 1090 C HIS A 74 4.291 -16.580 13.052 1.00 0.46 C ATOM 1091 O HIS A 74 3.576 -17.189 12.280 1.00 0.52 O ATOM 1092 CB HIS A 74 3.364 -16.807 15.363 1.00 0.48 C ATOM 1093 CG HIS A 74 3.112 -17.987 16.255 1.00 0.41 C ATOM 1094 ND1 HIS A 74 1.927 -18.706 16.218 1.00 0.90 N ATOM 1095 CD2 HIS A 74 3.888 -18.595 17.212 1.00 0.35 C ATOM 1096 CE1 HIS A 74 2.024 -19.694 17.125 1.00 0.72 C ATOM 1097 NE2 HIS A 74 3.199 -19.671 17.760 1.00 0.18 N ATOM 0 H HIS A 74 5.584 -15.592 15.582 1.00 0.48 H new ATOM 0 HA HIS A 74 4.739 -18.176 14.426 1.00 0.48 H new ATOM 0 HB2 HIS A 74 3.552 -15.917 15.963 1.00 0.48 H new ATOM 0 HB3 HIS A 74 2.483 -16.602 14.755 1.00 0.48 H new ATOM 0 HD2 HIS A 74 4.883 -18.284 17.496 1.00 0.35 H new ATOM 0 HE1 HIS A 74 1.246 -20.418 17.317 1.00 0.72 H new ATOM 0 HE2 HIS A 74 3.521 -20.306 18.490 1.00 0.18 H new ATOM 1105 N PHE A 75 4.861 -15.459 12.707 1.00 0.38 N ATOM 1106 CA PHE A 75 4.644 -14.893 11.344 1.00 0.34 C ATOM 1107 C PHE A 75 5.983 -14.851 10.599 1.00 0.33 C ATOM 1108 O PHE A 75 6.036 -14.646 9.401 1.00 0.46 O ATOM 1109 CB PHE A 75 4.067 -13.479 11.465 1.00 0.36 C ATOM 1110 CG PHE A 75 3.019 -13.460 12.553 1.00 0.25 C ATOM 1111 CD1 PHE A 75 3.409 -13.471 13.897 1.00 0.61 C ATOM 1112 CD2 PHE A 75 1.659 -13.440 12.219 1.00 0.60 C ATOM 1113 CE1 PHE A 75 2.440 -13.459 14.907 1.00 0.82 C ATOM 1114 CE2 PHE A 75 0.689 -13.429 13.230 1.00 0.71 C ATOM 1115 CZ PHE A 75 1.081 -13.439 14.575 1.00 0.72 C ATOM 0 H PHE A 75 5.470 -14.908 13.312 1.00 0.38 H new ATOM 0 HA PHE A 75 3.942 -15.517 10.790 1.00 0.34 H new ATOM 0 HB2 PHE A 75 4.861 -12.768 11.696 1.00 0.36 H new ATOM 0 HB3 PHE A 75 3.629 -13.170 10.516 1.00 0.36 H new ATOM 0 HD1 PHE A 75 4.458 -13.489 14.155 1.00 0.61 H new ATOM 0 HD2 PHE A 75 1.358 -13.433 11.182 1.00 0.60 H new ATOM 0 HE1 PHE A 75 2.742 -13.465 15.944 1.00 0.82 H new ATOM 0 HE2 PHE A 75 -0.360 -13.413 12.973 1.00 0.71 H new ATOM 0 HZ PHE A 75 0.334 -13.431 15.355 1.00 0.72 H new ATOM 1125 N VAL A 76 7.064 -15.058 11.303 1.00 0.42 N ATOM 1126 CA VAL A 76 8.407 -15.050 10.656 1.00 0.39 C ATOM 1127 C VAL A 76 9.068 -16.416 10.896 1.00 0.40 C ATOM 1128 O VAL A 76 8.614 -17.196 11.709 1.00 0.48 O ATOM 1129 CB VAL A 76 9.257 -13.921 11.250 1.00 0.39 C ATOM 1130 CG1 VAL A 76 8.383 -12.695 11.483 1.00 0.39 C ATOM 1131 CG2 VAL A 76 9.877 -14.376 12.573 1.00 0.45 C ATOM 0 H VAL A 76 7.073 -15.234 12.308 1.00 0.42 H new ATOM 0 HA VAL A 76 8.315 -14.877 9.584 1.00 0.39 H new ATOM 0 HB VAL A 76 10.056 -13.668 10.554 1.00 0.39 H new ATOM 0 HG11 VAL A 76 8.987 -11.892 11.905 1.00 0.39 H new ATOM 0 HG12 VAL A 76 7.956 -12.367 10.535 1.00 0.39 H new ATOM 0 HG13 VAL A 76 7.580 -12.947 12.175 1.00 0.39 H new ATOM 0 HG21 VAL A 76 10.480 -13.569 12.989 1.00 0.45 H new ATOM 0 HG22 VAL A 76 9.085 -14.637 13.275 1.00 0.45 H new ATOM 0 HG23 VAL A 76 10.509 -15.247 12.398 1.00 0.45 H new ATOM 1141 N LYS A 77 10.118 -16.725 10.183 1.00 0.33 N ATOM 1142 CA LYS A 77 10.775 -18.056 10.370 1.00 0.34 C ATOM 1143 C LYS A 77 11.862 -17.981 11.444 1.00 0.34 C ATOM 1144 O LYS A 77 12.978 -17.575 11.196 1.00 0.30 O ATOM 1145 CB LYS A 77 11.393 -18.578 9.054 1.00 0.32 C ATOM 1146 CG LYS A 77 11.849 -17.438 8.134 1.00 0.15 C ATOM 1147 CD LYS A 77 10.997 -17.418 6.862 1.00 0.86 C ATOM 1148 CE LYS A 77 9.513 -17.366 7.229 1.00 1.21 C ATOM 1149 NZ LYS A 77 8.964 -16.026 6.876 1.00 2.31 N ATOM 0 H LYS A 77 10.548 -16.120 9.484 1.00 0.33 H new ATOM 0 HA LYS A 77 9.998 -18.751 10.688 1.00 0.34 H new ATOM 0 HB2 LYS A 77 12.244 -19.219 9.284 1.00 0.32 H new ATOM 0 HB3 LYS A 77 10.662 -19.194 8.531 1.00 0.32 H new ATOM 0 HG2 LYS A 77 11.763 -16.484 8.654 1.00 0.15 H new ATOM 0 HG3 LYS A 77 12.900 -17.567 7.875 1.00 0.15 H new ATOM 0 HD2 LYS A 77 11.260 -16.554 6.252 1.00 0.86 H new ATOM 0 HD3 LYS A 77 11.201 -18.306 6.263 1.00 0.86 H new ATOM 0 HE2 LYS A 77 8.968 -18.146 6.698 1.00 1.21 H new ATOM 0 HE3 LYS A 77 9.383 -17.555 8.295 1.00 1.21 H new ATOM 0 HZ1 LYS A 77 7.955 -15.988 7.125 1.00 2.31 H new ATOM 0 HZ2 LYS A 77 9.478 -15.291 7.402 1.00 2.31 H new ATOM 0 HZ3 LYS A 77 9.075 -15.863 5.855 1.00 2.31 H new ATOM 1163 N CYS A 78 11.544 -18.395 12.637 1.00 0.45 N ATOM 1164 CA CYS A 78 12.555 -18.379 13.735 1.00 0.45 C ATOM 1165 C CYS A 78 13.273 -19.736 13.762 1.00 0.41 C ATOM 1166 O CYS A 78 12.707 -20.732 13.355 1.00 0.44 O ATOM 1167 CB CYS A 78 11.847 -18.145 15.070 1.00 0.63 C ATOM 1168 SG CYS A 78 11.522 -16.378 15.278 1.00 2.79 S ATOM 0 H CYS A 78 10.624 -18.746 12.903 1.00 0.45 H new ATOM 0 HA CYS A 78 13.279 -17.581 13.568 1.00 0.45 H new ATOM 0 HB2 CYS A 78 10.912 -18.704 15.101 1.00 0.63 H new ATOM 0 HB3 CYS A 78 12.464 -18.511 15.890 1.00 0.63 H new ATOM 1173 N PRO A 79 14.501 -19.747 14.223 1.00 0.35 N ATOM 1174 CA PRO A 79 15.208 -18.552 14.724 1.00 0.36 C ATOM 1175 C PRO A 79 15.559 -17.577 13.608 1.00 0.37 C ATOM 1176 O PRO A 79 16.006 -17.958 12.546 1.00 0.40 O ATOM 1177 CB PRO A 79 16.494 -19.118 15.336 1.00 0.32 C ATOM 1178 CG PRO A 79 16.701 -20.505 14.709 1.00 0.32 C ATOM 1179 CD PRO A 79 15.309 -20.983 14.269 1.00 0.31 C ATOM 0 HA PRO A 79 14.592 -17.990 15.426 1.00 0.36 H new ATOM 0 HB2 PRO A 79 17.343 -18.467 15.127 1.00 0.32 H new ATOM 0 HB3 PRO A 79 16.408 -19.191 16.420 1.00 0.32 H new ATOM 0 HG2 PRO A 79 17.382 -20.451 13.859 1.00 0.32 H new ATOM 0 HG3 PRO A 79 17.142 -21.196 15.427 1.00 0.32 H new ATOM 0 HD2 PRO A 79 15.345 -21.472 13.296 1.00 0.31 H new ATOM 0 HD3 PRO A 79 14.894 -21.704 14.973 1.00 0.31 H new ATOM 1187 N LEU A 80 15.401 -16.312 13.868 1.00 0.36 N ATOM 1188 CA LEU A 80 15.775 -15.306 12.847 1.00 0.39 C ATOM 1189 C LEU A 80 17.286 -15.181 12.894 1.00 0.39 C ATOM 1190 O LEU A 80 17.856 -14.738 13.869 1.00 0.43 O ATOM 1191 CB LEU A 80 15.142 -13.961 13.160 1.00 0.42 C ATOM 1192 CG LEU A 80 13.692 -14.165 13.596 1.00 0.40 C ATOM 1193 CD1 LEU A 80 13.142 -12.859 14.160 1.00 0.43 C ATOM 1194 CD2 LEU A 80 12.857 -14.603 12.390 1.00 0.90 C ATOM 0 H LEU A 80 15.030 -15.935 14.740 1.00 0.36 H new ATOM 0 HA LEU A 80 15.427 -15.613 11.861 1.00 0.39 H new ATOM 0 HB2 LEU A 80 15.702 -13.459 13.949 1.00 0.42 H new ATOM 0 HB3 LEU A 80 15.181 -13.316 12.282 1.00 0.42 H new ATOM 0 HG LEU A 80 13.645 -14.935 14.366 1.00 0.40 H new ATOM 0 HD11 LEU A 80 12.107 -13.004 14.471 1.00 0.43 H new ATOM 0 HD12 LEU A 80 13.740 -12.553 15.019 1.00 0.43 H new ATOM 0 HD13 LEU A 80 13.185 -12.085 13.394 1.00 0.43 H new ATOM 0 HD21 LEU A 80 11.822 -14.749 12.698 1.00 0.90 H new ATOM 0 HD22 LEU A 80 12.901 -13.834 11.619 1.00 0.90 H new ATOM 0 HD23 LEU A 80 13.253 -15.538 11.993 1.00 0.90 H new ATOM 1206 N VAL A 81 17.940 -15.607 11.870 1.00 0.36 N ATOM 1207 CA VAL A 81 19.428 -15.562 11.875 1.00 0.36 C ATOM 1208 C VAL A 81 19.934 -14.177 11.474 1.00 0.38 C ATOM 1209 O VAL A 81 19.358 -13.499 10.647 1.00 0.52 O ATOM 1210 CB VAL A 81 19.967 -16.615 10.911 1.00 0.35 C ATOM 1211 CG1 VAL A 81 21.411 -16.272 10.537 1.00 0.62 C ATOM 1212 CG2 VAL A 81 19.924 -17.987 11.597 1.00 0.15 C ATOM 0 H VAL A 81 17.517 -15.987 11.023 1.00 0.36 H new ATOM 0 HA VAL A 81 19.782 -15.771 12.884 1.00 0.36 H new ATOM 0 HB VAL A 81 19.358 -16.637 10.007 1.00 0.35 H new ATOM 0 HG11 VAL A 81 21.797 -17.024 9.848 1.00 0.62 H new ATOM 0 HG12 VAL A 81 21.440 -15.293 10.059 1.00 0.62 H new ATOM 0 HG13 VAL A 81 22.026 -16.255 11.437 1.00 0.62 H new ATOM 0 HG21 VAL A 81 20.307 -18.747 10.916 1.00 0.15 H new ATOM 0 HG22 VAL A 81 20.539 -17.963 12.497 1.00 0.15 H new ATOM 0 HG23 VAL A 81 18.895 -18.227 11.866 1.00 0.15 H new ATOM 1222 N LYS A 82 21.022 -13.761 12.065 1.00 0.29 N ATOM 1223 CA LYS A 82 21.601 -12.440 11.752 1.00 0.30 C ATOM 1224 C LYS A 82 22.150 -12.443 10.339 1.00 0.25 C ATOM 1225 O LYS A 82 23.062 -13.175 10.010 1.00 0.24 O ATOM 1226 CB LYS A 82 22.729 -12.158 12.739 1.00 0.36 C ATOM 1227 CG LYS A 82 23.391 -10.841 12.371 1.00 0.20 C ATOM 1228 CD LYS A 82 24.486 -10.510 13.386 1.00 0.70 C ATOM 1229 CE LYS A 82 24.914 -11.782 14.119 1.00 0.35 C ATOM 1230 NZ LYS A 82 26.105 -11.488 14.966 1.00 0.32 N ATOM 0 H LYS A 82 21.537 -14.297 12.763 1.00 0.29 H new ATOM 0 HA LYS A 82 20.834 -11.670 11.831 1.00 0.30 H new ATOM 0 HB2 LYS A 82 22.337 -12.111 13.755 1.00 0.36 H new ATOM 0 HB3 LYS A 82 23.460 -12.966 12.716 1.00 0.36 H new ATOM 0 HG2 LYS A 82 23.818 -10.905 11.370 1.00 0.20 H new ATOM 0 HG3 LYS A 82 22.648 -10.043 12.350 1.00 0.20 H new ATOM 0 HD2 LYS A 82 25.343 -10.066 12.879 1.00 0.70 H new ATOM 0 HD3 LYS A 82 24.121 -9.773 14.101 1.00 0.70 H new ATOM 0 HE2 LYS A 82 24.096 -12.151 14.738 1.00 0.35 H new ATOM 0 HE3 LYS A 82 25.150 -12.567 13.401 1.00 0.35 H new ATOM 0 HZ1 LYS A 82 26.398 -12.352 15.465 1.00 0.32 H new ATOM 0 HZ2 LYS A 82 26.885 -11.155 14.364 1.00 0.32 H new ATOM 0 HZ3 LYS A 82 25.864 -10.752 15.660 1.00 0.32 H new ATOM 1244 N GLY A 83 21.598 -11.619 9.505 1.00 0.24 N ATOM 1245 CA GLY A 83 22.078 -11.554 8.109 1.00 0.22 C ATOM 1246 C GLY A 83 20.936 -11.915 7.159 1.00 0.21 C ATOM 1247 O GLY A 83 21.027 -11.727 5.962 1.00 0.15 O ATOM 0 H GLY A 83 20.832 -10.985 9.732 1.00 0.24 H new ATOM 0 HA2 GLY A 83 22.447 -10.553 7.887 1.00 0.22 H new ATOM 0 HA3 GLY A 83 22.913 -12.240 7.968 1.00 0.22 H new ATOM 1251 N GLN A 84 19.856 -12.419 7.689 1.00 0.28 N ATOM 1252 CA GLN A 84 18.698 -12.779 6.825 1.00 0.28 C ATOM 1253 C GLN A 84 17.593 -11.762 7.066 1.00 0.28 C ATOM 1254 O GLN A 84 17.539 -11.131 8.101 1.00 0.27 O ATOM 1255 CB GLN A 84 18.192 -14.180 7.187 1.00 0.26 C ATOM 1256 CG GLN A 84 16.794 -14.409 6.592 1.00 0.27 C ATOM 1257 CD GLN A 84 16.904 -14.521 5.070 1.00 0.30 C ATOM 1258 OE1 GLN A 84 17.655 -13.797 4.449 1.00 0.54 O ATOM 1259 NE2 GLN A 84 16.185 -15.409 4.436 1.00 0.55 N ATOM 0 H GLN A 84 19.726 -12.597 8.685 1.00 0.28 H new ATOM 0 HA GLN A 84 18.998 -12.775 5.777 1.00 0.28 H new ATOM 0 HB2 GLN A 84 18.884 -14.933 6.810 1.00 0.26 H new ATOM 0 HB3 GLN A 84 18.157 -14.293 8.271 1.00 0.26 H new ATOM 0 HG2 GLN A 84 16.355 -15.318 7.004 1.00 0.27 H new ATOM 0 HG3 GLN A 84 16.133 -13.585 6.861 1.00 0.27 H new ATOM 0 HE21 GLN A 84 15.553 -16.019 4.955 1.00 0.55 H new ATOM 0 HE22 GLN A 84 16.256 -15.493 3.422 1.00 0.55 H new ATOM 1268 N GLN A 85 16.705 -11.599 6.137 1.00 0.29 N ATOM 1269 CA GLN A 85 15.608 -10.630 6.344 1.00 0.29 C ATOM 1270 C GLN A 85 14.309 -11.404 6.522 1.00 0.25 C ATOM 1271 O GLN A 85 14.104 -12.441 5.923 1.00 0.31 O ATOM 1272 CB GLN A 85 15.509 -9.695 5.141 1.00 0.33 C ATOM 1273 CG GLN A 85 14.043 -9.510 4.785 1.00 0.37 C ATOM 1274 CD GLN A 85 13.917 -8.541 3.608 1.00 0.41 C ATOM 1275 OE1 GLN A 85 14.423 -7.437 3.653 1.00 0.97 O ATOM 1276 NE2 GLN A 85 13.250 -8.910 2.550 1.00 1.44 N ATOM 0 H GLN A 85 16.691 -12.094 5.245 1.00 0.29 H new ATOM 0 HA GLN A 85 15.800 -10.027 7.231 1.00 0.29 H new ATOM 0 HB2 GLN A 85 15.966 -8.733 5.372 1.00 0.33 H new ATOM 0 HB3 GLN A 85 16.054 -10.111 4.294 1.00 0.33 H new ATOM 0 HG2 GLN A 85 13.597 -10.471 4.527 1.00 0.37 H new ATOM 0 HG3 GLN A 85 13.495 -9.125 5.645 1.00 0.37 H new ATOM 0 HE21 GLN A 85 12.825 -9.837 2.512 1.00 1.44 H new ATOM 0 HE22 GLN A 85 13.153 -8.272 1.760 1.00 1.44 H new ATOM 1285 N TYR A 86 13.437 -10.926 7.358 1.00 0.22 N ATOM 1286 CA TYR A 86 12.166 -11.654 7.592 1.00 0.18 C ATOM 1287 C TYR A 86 10.980 -10.724 7.356 1.00 0.20 C ATOM 1288 O TYR A 86 11.036 -9.541 7.629 1.00 0.29 O ATOM 1289 CB TYR A 86 12.158 -12.164 9.032 1.00 0.16 C ATOM 1290 CG TYR A 86 13.207 -13.226 9.172 1.00 0.19 C ATOM 1291 CD1 TYR A 86 14.559 -12.879 9.192 1.00 0.19 C ATOM 1292 CD2 TYR A 86 12.825 -14.561 9.272 1.00 0.23 C ATOM 1293 CE1 TYR A 86 15.533 -13.874 9.311 1.00 0.24 C ATOM 1294 CE2 TYR A 86 13.796 -15.560 9.392 1.00 0.28 C ATOM 1295 CZ TYR A 86 15.152 -15.218 9.411 1.00 0.29 C ATOM 1296 OH TYR A 86 16.111 -16.202 9.527 1.00 0.35 O ATOM 0 H TYR A 86 13.549 -10.063 7.889 1.00 0.22 H new ATOM 0 HA TYR A 86 12.085 -12.494 6.902 1.00 0.18 H new ATOM 0 HB2 TYR A 86 12.355 -11.345 9.724 1.00 0.16 H new ATOM 0 HB3 TYR A 86 11.177 -12.566 9.285 1.00 0.16 H new ATOM 0 HD1 TYR A 86 14.852 -11.842 9.116 1.00 0.19 H new ATOM 0 HD2 TYR A 86 11.778 -14.825 9.257 1.00 0.23 H new ATOM 0 HE1 TYR A 86 16.579 -13.607 9.326 1.00 0.24 H new ATOM 0 HE2 TYR A 86 13.499 -16.595 9.470 1.00 0.28 H new ATOM 0 HH TYR A 86 15.675 -17.078 9.587 1.00 0.35 H new ATOM 1306 N ASP A 87 9.903 -11.258 6.855 1.00 0.14 N ATOM 1307 CA ASP A 87 8.703 -10.417 6.600 1.00 0.15 C ATOM 1308 C ASP A 87 7.602 -10.825 7.574 1.00 0.15 C ATOM 1309 O ASP A 87 7.089 -11.925 7.513 1.00 0.17 O ATOM 1310 CB ASP A 87 8.208 -10.650 5.174 1.00 0.17 C ATOM 1311 CG ASP A 87 9.069 -11.720 4.503 1.00 1.04 C ATOM 1312 OD1 ASP A 87 10.230 -11.446 4.250 1.00 1.69 O ATOM 1313 OD2 ASP A 87 8.551 -12.797 4.254 1.00 1.71 O ATOM 0 H ASP A 87 9.802 -12.243 6.611 1.00 0.14 H new ATOM 0 HA ASP A 87 8.958 -9.366 6.732 1.00 0.15 H new ATOM 0 HB2 ASP A 87 7.164 -10.964 5.187 1.00 0.17 H new ATOM 0 HB3 ASP A 87 8.255 -9.721 4.605 1.00 0.17 H new ATOM 1318 N ILE A 88 7.233 -9.962 8.473 1.00 0.14 N ATOM 1319 CA ILE A 88 6.169 -10.330 9.438 1.00 0.16 C ATOM 1320 C ILE A 88 4.888 -9.556 9.166 1.00 0.16 C ATOM 1321 O ILE A 88 4.823 -8.352 9.319 1.00 0.20 O ATOM 1322 CB ILE A 88 6.609 -10.018 10.864 1.00 0.15 C ATOM 1323 CG1 ILE A 88 5.393 -10.142 11.788 1.00 0.14 C ATOM 1324 CG2 ILE A 88 7.154 -8.590 10.938 1.00 0.14 C ATOM 1325 CD1 ILE A 88 5.845 -10.556 13.185 1.00 0.38 C ATOM 0 H ILE A 88 7.619 -9.024 8.581 1.00 0.14 H new ATOM 0 HA ILE A 88 5.987 -11.398 9.321 1.00 0.16 H new ATOM 0 HB ILE A 88 7.390 -10.714 11.169 1.00 0.15 H new ATOM 0 HG12 ILE A 88 4.862 -9.191 11.835 1.00 0.14 H new ATOM 0 HG13 ILE A 88 4.695 -10.878 11.389 1.00 0.14 H new ATOM 0 HG21 ILE A 88 7.467 -8.372 11.959 1.00 0.14 H new ATOM 0 HG22 ILE A 88 8.008 -8.491 10.268 1.00 0.14 H new ATOM 0 HG23 ILE A 88 6.376 -7.888 10.640 1.00 0.14 H new ATOM 0 HD11 ILE A 88 4.976 -10.643 13.838 1.00 0.38 H new ATOM 0 HD12 ILE A 88 6.356 -11.517 13.132 1.00 0.38 H new ATOM 0 HD13 ILE A 88 6.526 -9.804 13.585 1.00 0.38 H new ATOM 1337 N LYS A 89 3.851 -10.257 8.838 1.00 0.24 N ATOM 1338 CA LYS A 89 2.536 -9.597 8.637 1.00 0.28 C ATOM 1339 C LYS A 89 1.835 -9.722 9.979 1.00 0.35 C ATOM 1340 O LYS A 89 1.592 -10.814 10.450 1.00 0.40 O ATOM 1341 CB LYS A 89 1.737 -10.312 7.545 1.00 0.35 C ATOM 1342 CG LYS A 89 0.461 -9.522 7.247 1.00 0.54 C ATOM 1343 CD LYS A 89 -0.731 -10.479 7.196 1.00 1.23 C ATOM 1344 CE LYS A 89 -2.018 -9.685 6.961 1.00 1.32 C ATOM 1345 NZ LYS A 89 -2.328 -9.660 5.503 1.00 1.34 N ATOM 0 H LYS A 89 3.854 -11.267 8.698 1.00 0.24 H new ATOM 0 HA LYS A 89 2.638 -8.560 8.318 1.00 0.28 H new ATOM 0 HB2 LYS A 89 2.339 -10.406 6.641 1.00 0.35 H new ATOM 0 HB3 LYS A 89 1.485 -11.323 7.866 1.00 0.35 H new ATOM 0 HG2 LYS A 89 0.301 -8.766 8.015 1.00 0.54 H new ATOM 0 HG3 LYS A 89 0.560 -8.996 6.297 1.00 0.54 H new ATOM 0 HD2 LYS A 89 -0.591 -11.208 6.398 1.00 1.23 H new ATOM 0 HD3 LYS A 89 -0.802 -11.038 8.129 1.00 1.23 H new ATOM 0 HE2 LYS A 89 -2.843 -10.138 7.511 1.00 1.32 H new ATOM 0 HE3 LYS A 89 -1.904 -8.668 7.337 1.00 1.32 H new ATOM 0 HZ1 LYS A 89 -3.203 -9.120 5.343 1.00 1.34 H new ATOM 0 HZ2 LYS A 89 -1.544 -9.209 4.989 1.00 1.34 H new ATOM 0 HZ3 LYS A 89 -2.454 -10.633 5.158 1.00 1.34 H new ATOM 1359 N TYR A 90 1.574 -8.638 10.648 1.00 0.47 N ATOM 1360 CA TYR A 90 0.976 -8.777 11.999 1.00 0.47 C ATOM 1361 C TYR A 90 -0.309 -7.984 12.174 1.00 0.41 C ATOM 1362 O TYR A 90 -0.415 -6.837 11.785 1.00 0.45 O ATOM 1363 CB TYR A 90 1.975 -8.284 13.044 1.00 0.56 C ATOM 1364 CG TYR A 90 1.364 -8.508 14.388 1.00 0.43 C ATOM 1365 CD1 TYR A 90 0.866 -9.772 14.687 1.00 0.39 C ATOM 1366 CD2 TYR A 90 1.260 -7.464 15.318 1.00 0.45 C ATOM 1367 CE1 TYR A 90 0.260 -10.011 15.914 1.00 0.38 C ATOM 1368 CE2 TYR A 90 0.656 -7.704 16.556 1.00 0.29 C ATOM 1369 CZ TYR A 90 0.154 -8.981 16.853 1.00 0.27 C ATOM 1370 OH TYR A 90 -0.451 -9.227 18.065 1.00 0.32 O ATOM 0 H TYR A 90 1.744 -7.684 10.328 1.00 0.47 H new ATOM 0 HA TYR A 90 0.738 -9.833 12.124 1.00 0.47 H new ATOM 0 HB2 TYR A 90 2.919 -8.823 12.957 1.00 0.56 H new ATOM 0 HB3 TYR A 90 2.196 -7.227 12.895 1.00 0.56 H new ATOM 0 HD1 TYR A 90 0.951 -10.569 13.964 1.00 0.39 H new ATOM 0 HD2 TYR A 90 1.643 -6.483 15.080 1.00 0.45 H new ATOM 0 HE1 TYR A 90 -0.129 -10.992 16.142 1.00 0.38 H new ATOM 0 HE2 TYR A 90 0.576 -6.909 17.282 1.00 0.29 H new ATOM 0 HH TYR A 90 -0.630 -10.187 18.153 1.00 0.32 H new ATOM 1380 N THR A 91 -1.259 -8.577 12.842 1.00 0.33 N ATOM 1381 CA THR A 91 -2.514 -7.858 13.150 1.00 0.31 C ATOM 1382 C THR A 91 -2.294 -7.247 14.530 1.00 0.26 C ATOM 1383 O THR A 91 -1.798 -7.892 15.432 1.00 0.64 O ATOM 1384 CB THR A 91 -3.701 -8.824 13.172 1.00 0.31 C ATOM 1385 OG1 THR A 91 -3.225 -10.158 13.057 1.00 0.21 O ATOM 1386 CG2 THR A 91 -4.639 -8.514 12.003 1.00 0.64 C ATOM 0 H THR A 91 -1.214 -9.536 13.188 1.00 0.33 H new ATOM 0 HA THR A 91 -2.743 -7.101 12.400 1.00 0.31 H new ATOM 0 HB THR A 91 -4.244 -8.709 14.110 1.00 0.31 H new ATOM 0 HG1 THR A 91 -3.983 -10.778 13.073 1.00 0.21 H new ATOM 0 HG21 THR A 91 -5.483 -9.203 12.021 1.00 0.64 H new ATOM 0 HG22 THR A 91 -5.004 -7.491 12.091 1.00 0.64 H new ATOM 0 HG23 THR A 91 -4.099 -8.627 11.063 1.00 0.64 H new ATOM 1394 N TRP A 92 -2.592 -6.000 14.681 1.00 0.61 N ATOM 1395 CA TRP A 92 -2.336 -5.312 15.973 1.00 0.52 C ATOM 1396 C TRP A 92 -3.659 -5.004 16.666 1.00 0.63 C ATOM 1397 O TRP A 92 -4.317 -4.025 16.375 1.00 0.77 O ATOM 1398 CB TRP A 92 -1.563 -4.037 15.630 1.00 0.55 C ATOM 1399 CG TRP A 92 -1.225 -3.219 16.827 1.00 0.46 C ATOM 1400 CD1 TRP A 92 -0.510 -3.643 17.891 1.00 0.37 C ATOM 1401 CD2 TRP A 92 -1.532 -1.816 17.070 1.00 0.44 C ATOM 1402 NE1 TRP A 92 -0.348 -2.583 18.766 1.00 0.30 N ATOM 1403 CE2 TRP A 92 -0.964 -1.439 18.302 1.00 0.34 C ATOM 1404 CE3 TRP A 92 -2.244 -0.842 16.348 1.00 0.51 C ATOM 1405 CZ2 TRP A 92 -1.084 -0.142 18.789 1.00 0.30 C ATOM 1406 CZ3 TRP A 92 -2.371 0.463 16.853 1.00 0.46 C ATOM 1407 CH2 TRP A 92 -1.791 0.809 18.067 1.00 0.36 C ATOM 0 H TRP A 92 -3.008 -5.414 13.957 1.00 0.61 H new ATOM 0 HA TRP A 92 -1.760 -5.929 16.662 1.00 0.52 H new ATOM 0 HB2 TRP A 92 -0.644 -4.306 15.110 1.00 0.55 H new ATOM 0 HB3 TRP A 92 -2.155 -3.435 14.941 1.00 0.55 H new ATOM 0 HD1 TRP A 92 -0.128 -4.643 18.035 1.00 0.37 H new ATOM 0 HE1 TRP A 92 0.164 -2.641 19.646 1.00 0.30 H new ATOM 0 HE3 TRP A 92 -2.695 -1.098 15.401 1.00 0.51 H new ATOM 0 HZ2 TRP A 92 -0.626 0.125 19.730 1.00 0.30 H new ATOM 0 HZ3 TRP A 92 -2.924 1.203 16.293 1.00 0.46 H new ATOM 0 HH2 TRP A 92 -1.890 1.815 18.448 1.00 0.36 H new ATOM 1418 N ASN A 93 -4.055 -5.854 17.575 1.00 0.62 N ATOM 1419 CA ASN A 93 -5.340 -5.645 18.292 1.00 0.81 C ATOM 1420 C ASN A 93 -5.234 -4.422 19.202 1.00 0.99 C ATOM 1421 O ASN A 93 -4.639 -4.471 20.259 1.00 1.02 O ATOM 1422 CB ASN A 93 -5.651 -6.881 19.142 1.00 0.75 C ATOM 1423 CG ASN A 93 -6.953 -6.659 19.914 1.00 1.73 C ATOM 1424 OD1 ASN A 93 -7.984 -6.403 19.327 1.00 2.17 O ATOM 1425 ND2 ASN A 93 -6.947 -6.751 21.216 1.00 2.43 N ATOM 0 H ASN A 93 -3.538 -6.689 17.851 1.00 0.62 H new ATOM 0 HA ASN A 93 -6.136 -5.485 17.565 1.00 0.81 H new ATOM 0 HB2 ASN A 93 -5.740 -7.760 18.504 1.00 0.75 H new ATOM 0 HB3 ASN A 93 -4.833 -7.072 19.836 1.00 0.75 H new ATOM 0 HD21 ASN A 93 -7.809 -6.608 21.741 1.00 2.43 H new ATOM 0 HD22 ASN A 93 -6.080 -6.966 21.708 1.00 2.43 H new ATOM 1432 N VAL A 94 -5.826 -3.330 18.809 1.00 1.13 N ATOM 1433 CA VAL A 94 -5.783 -2.109 19.658 1.00 1.32 C ATOM 1434 C VAL A 94 -6.468 -2.426 20.994 1.00 1.41 C ATOM 1435 O VAL A 94 -7.434 -3.163 21.028 1.00 1.44 O ATOM 1436 CB VAL A 94 -6.526 -0.981 18.926 1.00 1.47 C ATOM 1437 CG1 VAL A 94 -6.382 0.337 19.682 1.00 1.64 C ATOM 1438 CG2 VAL A 94 -5.927 -0.814 17.529 1.00 1.44 C ATOM 0 H VAL A 94 -6.339 -3.231 17.933 1.00 1.13 H new ATOM 0 HA VAL A 94 -4.756 -1.795 19.847 1.00 1.32 H new ATOM 0 HB VAL A 94 -7.583 -1.241 18.863 1.00 1.47 H new ATOM 0 HG11 VAL A 94 -6.915 1.123 19.147 1.00 1.64 H new ATOM 0 HG12 VAL A 94 -6.801 0.230 20.683 1.00 1.64 H new ATOM 0 HG13 VAL A 94 -5.327 0.600 19.757 1.00 1.64 H new ATOM 0 HG21 VAL A 94 -6.449 -0.015 17.002 1.00 1.44 H new ATOM 0 HG22 VAL A 94 -4.870 -0.562 17.614 1.00 1.44 H new ATOM 0 HG23 VAL A 94 -6.035 -1.745 16.973 1.00 1.44 H new ATOM 1448 N PRO A 95 -5.950 -1.866 22.057 1.00 1.48 N ATOM 1449 CA PRO A 95 -6.499 -2.082 23.413 1.00 1.61 C ATOM 1450 C PRO A 95 -7.918 -1.524 23.558 1.00 1.90 C ATOM 1451 O PRO A 95 -8.562 -1.717 24.570 1.00 3.97 O ATOM 1452 CB PRO A 95 -5.505 -1.351 24.325 1.00 1.50 C ATOM 1453 CG PRO A 95 -4.746 -0.355 23.429 1.00 1.41 C ATOM 1454 CD PRO A 95 -4.785 -0.955 22.014 1.00 1.45 C ATOM 0 HA PRO A 95 -6.598 -3.140 23.657 1.00 1.61 H new ATOM 0 HB2 PRO A 95 -6.026 -0.831 25.129 1.00 1.50 H new ATOM 0 HB3 PRO A 95 -4.817 -2.055 24.793 1.00 1.50 H new ATOM 0 HG2 PRO A 95 -5.216 0.628 23.451 1.00 1.41 H new ATOM 0 HG3 PRO A 95 -3.719 -0.225 23.771 1.00 1.41 H new ATOM 0 HD2 PRO A 95 -4.907 -0.183 21.254 1.00 1.45 H new ATOM 0 HD3 PRO A 95 -3.865 -1.491 21.780 1.00 1.45 H new ATOM 1462 N LYS A 96 -8.415 -0.838 22.566 1.00 0.66 N ATOM 1463 CA LYS A 96 -9.796 -0.277 22.661 1.00 0.58 C ATOM 1464 C LYS A 96 -9.851 0.835 23.718 1.00 0.43 C ATOM 1465 O LYS A 96 -10.863 1.483 23.890 1.00 0.46 O ATOM 1466 CB LYS A 96 -10.778 -1.387 23.040 1.00 0.87 C ATOM 1467 CG LYS A 96 -10.638 -2.550 22.061 1.00 0.88 C ATOM 1468 CD LYS A 96 -11.981 -2.806 21.397 1.00 0.74 C ATOM 1469 CE LYS A 96 -12.989 -3.292 22.440 1.00 1.45 C ATOM 1470 NZ LYS A 96 -14.028 -2.246 22.656 1.00 1.48 N ATOM 0 H LYS A 96 -7.926 -0.641 21.693 1.00 0.66 H new ATOM 0 HA LYS A 96 -10.070 0.141 21.692 1.00 0.58 H new ATOM 0 HB2 LYS A 96 -10.582 -1.728 24.056 1.00 0.87 H new ATOM 0 HB3 LYS A 96 -11.799 -1.005 23.023 1.00 0.87 H new ATOM 0 HG2 LYS A 96 -9.884 -2.319 21.308 1.00 0.88 H new ATOM 0 HG3 LYS A 96 -10.301 -3.444 22.585 1.00 0.88 H new ATOM 0 HD2 LYS A 96 -12.344 -1.893 20.925 1.00 0.74 H new ATOM 0 HD3 LYS A 96 -11.871 -3.551 20.609 1.00 0.74 H new ATOM 0 HE2 LYS A 96 -13.455 -4.219 22.106 1.00 1.45 H new ATOM 0 HE3 LYS A 96 -12.479 -3.512 23.378 1.00 1.45 H new ATOM 0 HZ1 LYS A 96 -14.136 -2.069 23.675 1.00 1.48 H new ATOM 0 HZ2 LYS A 96 -13.740 -1.367 22.181 1.00 1.48 H new ATOM 0 HZ3 LYS A 96 -14.934 -2.571 22.263 1.00 1.48 H new ATOM 1484 N ILE A 97 -8.774 1.077 24.419 1.00 0.33 N ATOM 1485 CA ILE A 97 -8.781 2.151 25.438 1.00 0.29 C ATOM 1486 C ILE A 97 -8.242 3.411 24.792 1.00 0.31 C ATOM 1487 O ILE A 97 -8.553 4.513 25.199 1.00 0.34 O ATOM 1488 CB ILE A 97 -7.864 1.753 26.588 1.00 0.34 C ATOM 1489 CG1 ILE A 97 -6.399 1.901 26.153 1.00 0.44 C ATOM 1490 CG2 ILE A 97 -8.137 0.299 26.982 1.00 0.33 C ATOM 1491 CD1 ILE A 97 -5.483 1.659 27.354 1.00 0.55 C ATOM 0 H ILE A 97 -7.892 0.573 24.325 1.00 0.33 H new ATOM 0 HA ILE A 97 -9.790 2.314 25.816 1.00 0.29 H new ATOM 0 HB ILE A 97 -8.055 2.402 27.443 1.00 0.34 H new ATOM 0 HG12 ILE A 97 -6.171 1.190 25.359 1.00 0.44 H new ATOM 0 HG13 ILE A 97 -6.228 2.898 25.747 1.00 0.44 H new ATOM 0 HG21 ILE A 97 -7.480 0.016 27.805 1.00 0.33 H new ATOM 0 HG22 ILE A 97 -9.176 0.196 27.295 1.00 0.33 H new ATOM 0 HG23 ILE A 97 -7.949 -0.351 26.127 1.00 0.33 H new ATOM 0 HD11 ILE A 97 -4.443 1.764 27.045 1.00 0.55 H new ATOM 0 HD12 ILE A 97 -5.705 2.387 28.134 1.00 0.55 H new ATOM 0 HD13 ILE A 97 -5.647 0.653 27.740 1.00 0.55 H new ATOM 1503 N ALA A 98 -7.426 3.231 23.787 1.00 0.36 N ATOM 1504 CA ALA A 98 -6.826 4.386 23.065 1.00 0.37 C ATOM 1505 C ALA A 98 -7.795 5.570 23.107 1.00 0.44 C ATOM 1506 O ALA A 98 -8.904 5.479 22.619 1.00 0.50 O ATOM 1507 CB ALA A 98 -6.567 3.998 21.611 1.00 0.32 C ATOM 0 H ALA A 98 -7.147 2.316 23.432 1.00 0.36 H new ATOM 0 HA ALA A 98 -5.886 4.664 23.542 1.00 0.37 H new ATOM 0 HB1 ALA A 98 -6.128 4.843 21.082 1.00 0.32 H new ATOM 0 HB2 ALA A 98 -5.881 3.152 21.577 1.00 0.32 H new ATOM 0 HB3 ALA A 98 -7.508 3.721 21.135 1.00 0.32 H new ATOM 1513 N PRO A 99 -7.354 6.639 23.708 1.00 0.44 N ATOM 1514 CA PRO A 99 -8.161 7.854 23.856 1.00 0.51 C ATOM 1515 C PRO A 99 -8.050 8.665 22.575 1.00 0.49 C ATOM 1516 O PRO A 99 -6.966 8.871 22.076 1.00 0.47 O ATOM 1517 CB PRO A 99 -7.496 8.579 25.031 1.00 0.54 C ATOM 1518 CG PRO A 99 -6.045 8.042 25.113 1.00 0.47 C ATOM 1519 CD PRO A 99 -6.003 6.743 24.286 1.00 0.40 C ATOM 0 HA PRO A 99 -9.222 7.676 24.033 1.00 0.51 H new ATOM 0 HB2 PRO A 99 -7.502 9.658 24.875 1.00 0.54 H new ATOM 0 HB3 PRO A 99 -8.034 8.388 25.960 1.00 0.54 H new ATOM 0 HG2 PRO A 99 -5.339 8.774 24.719 1.00 0.47 H new ATOM 0 HG3 PRO A 99 -5.762 7.851 26.148 1.00 0.47 H new ATOM 0 HD2 PRO A 99 -5.240 6.790 23.509 1.00 0.40 H new ATOM 0 HD3 PRO A 99 -5.769 5.881 24.910 1.00 0.40 H new ATOM 1527 N LYS A 100 -9.146 9.111 22.025 1.00 0.49 N ATOM 1528 CA LYS A 100 -9.062 9.891 20.765 1.00 0.49 C ATOM 1529 C LYS A 100 -7.996 10.968 20.920 1.00 0.40 C ATOM 1530 O LYS A 100 -8.257 12.064 21.376 1.00 0.37 O ATOM 1531 CB LYS A 100 -10.413 10.522 20.447 1.00 0.52 C ATOM 1532 CG LYS A 100 -10.878 10.009 19.087 1.00 1.16 C ATOM 1533 CD LYS A 100 -12.400 10.086 18.991 1.00 0.25 C ATOM 1534 CE LYS A 100 -12.827 11.548 19.057 1.00 0.45 C ATOM 1535 NZ LYS A 100 -14.233 11.638 19.542 1.00 1.40 N ATOM 0 H LYS A 100 -10.087 8.969 22.392 1.00 0.49 H new ATOM 0 HA LYS A 100 -8.792 9.230 19.941 1.00 0.49 H new ATOM 0 HB2 LYS A 100 -11.141 10.267 21.217 1.00 0.52 H new ATOM 0 HB3 LYS A 100 -10.330 11.609 20.434 1.00 0.52 H new ATOM 0 HG2 LYS A 100 -10.425 10.601 18.292 1.00 1.16 H new ATOM 0 HG3 LYS A 100 -10.548 8.980 18.945 1.00 1.16 H new ATOM 0 HD2 LYS A 100 -12.742 9.635 18.059 1.00 0.25 H new ATOM 0 HD3 LYS A 100 -12.858 9.523 19.804 1.00 0.25 H new ATOM 0 HE2 LYS A 100 -12.166 12.100 19.724 1.00 0.45 H new ATOM 0 HE3 LYS A 100 -12.742 12.007 18.072 1.00 0.45 H new ATOM 0 HZ1 LYS A 100 -14.522 12.636 19.586 1.00 1.40 H new ATOM 0 HZ2 LYS A 100 -14.859 11.125 18.889 1.00 1.40 H new ATOM 0 HZ3 LYS A 100 -14.301 11.216 20.490 1.00 1.40 H new ATOM 1549 N SER A 101 -6.788 10.647 20.556 1.00 0.37 N ATOM 1550 CA SER A 101 -5.677 11.616 20.687 1.00 0.29 C ATOM 1551 C SER A 101 -5.510 12.360 19.358 1.00 0.30 C ATOM 1552 O SER A 101 -5.220 11.766 18.339 1.00 0.29 O ATOM 1553 CB SER A 101 -4.401 10.846 21.042 1.00 0.23 C ATOM 1554 OG SER A 101 -3.541 11.684 21.803 1.00 0.25 O ATOM 0 H SER A 101 -6.524 9.741 20.169 1.00 0.37 H new ATOM 0 HA SER A 101 -5.884 12.344 21.472 1.00 0.29 H new ATOM 0 HB2 SER A 101 -4.650 9.950 21.610 1.00 0.23 H new ATOM 0 HB3 SER A 101 -3.896 10.517 20.133 1.00 0.23 H new ATOM 0 HG SER A 101 -4.003 11.974 22.617 1.00 0.25 H new ATOM 1560 N GLU A 102 -5.717 13.653 19.368 1.00 0.36 N ATOM 1561 CA GLU A 102 -5.601 14.460 18.113 1.00 0.44 C ATOM 1562 C GLU A 102 -4.492 13.905 17.219 1.00 0.45 C ATOM 1563 O GLU A 102 -4.680 13.712 16.034 1.00 0.56 O ATOM 1564 CB GLU A 102 -5.286 15.914 18.472 1.00 0.43 C ATOM 1565 CG GLU A 102 -4.018 15.970 19.325 1.00 0.65 C ATOM 1566 CD GLU A 102 -4.044 17.233 20.189 1.00 1.06 C ATOM 1567 OE1 GLU A 102 -3.807 18.301 19.649 1.00 1.42 O ATOM 1568 OE2 GLU A 102 -4.302 17.111 21.374 1.00 1.19 O ATOM 0 H GLU A 102 -5.964 14.190 20.200 1.00 0.36 H new ATOM 0 HA GLU A 102 -6.546 14.407 17.572 1.00 0.44 H new ATOM 0 HB2 GLU A 102 -5.152 16.502 17.564 1.00 0.43 H new ATOM 0 HB3 GLU A 102 -6.122 16.354 19.016 1.00 0.43 H new ATOM 0 HG2 GLU A 102 -3.952 15.085 19.957 1.00 0.65 H new ATOM 0 HG3 GLU A 102 -3.135 15.971 18.685 1.00 0.65 H new ATOM 1575 N ASN A 103 -3.345 13.642 17.770 1.00 0.38 N ATOM 1576 CA ASN A 103 -2.237 13.094 16.941 1.00 0.47 C ATOM 1577 C ASN A 103 -1.674 11.850 17.618 1.00 0.47 C ATOM 1578 O ASN A 103 -1.539 11.793 18.825 1.00 0.51 O ATOM 1579 CB ASN A 103 -1.132 14.144 16.798 1.00 0.49 C ATOM 1580 CG ASN A 103 -0.092 13.661 15.784 1.00 0.65 C ATOM 1581 OD1 ASN A 103 -0.362 13.600 14.601 1.00 1.45 O ATOM 1582 ND2 ASN A 103 1.094 13.313 16.202 1.00 1.09 N ATOM 0 H ASN A 103 -3.125 13.782 18.756 1.00 0.38 H new ATOM 0 HA ASN A 103 -2.615 12.835 15.952 1.00 0.47 H new ATOM 0 HB2 ASN A 103 -1.558 15.093 16.473 1.00 0.49 H new ATOM 0 HB3 ASN A 103 -0.658 14.322 17.763 1.00 0.49 H new ATOM 0 HD21 ASN A 103 1.795 12.990 15.535 1.00 1.09 H new ATOM 0 HD22 ASN A 103 1.320 13.364 17.195 1.00 1.09 H new ATOM 1589 N VAL A 104 -1.347 10.850 16.852 1.00 0.48 N ATOM 1590 CA VAL A 104 -0.797 9.609 17.446 1.00 0.52 C ATOM 1591 C VAL A 104 0.459 9.185 16.689 1.00 0.55 C ATOM 1592 O VAL A 104 0.542 9.301 15.483 1.00 0.60 O ATOM 1593 CB VAL A 104 -1.840 8.494 17.354 1.00 0.56 C ATOM 1594 CG1 VAL A 104 -1.156 7.191 16.933 1.00 1.00 C ATOM 1595 CG2 VAL A 104 -2.501 8.306 18.720 1.00 0.52 C ATOM 0 H VAL A 104 -1.438 10.841 15.836 1.00 0.48 H new ATOM 0 HA VAL A 104 -0.546 9.794 18.490 1.00 0.52 H new ATOM 0 HB VAL A 104 -2.597 8.761 16.617 1.00 0.56 H new ATOM 0 HG11 VAL A 104 -1.898 6.395 16.867 1.00 1.00 H new ATOM 0 HG12 VAL A 104 -0.682 7.327 15.961 1.00 1.00 H new ATOM 0 HG13 VAL A 104 -0.400 6.922 17.671 1.00 1.00 H new ATOM 0 HG21 VAL A 104 -3.245 7.512 18.658 1.00 0.52 H new ATOM 0 HG22 VAL A 104 -1.744 8.037 19.457 1.00 0.52 H new ATOM 0 HG23 VAL A 104 -2.986 9.235 19.021 1.00 0.52 H new ATOM 1605 N VAL A 105 1.422 8.660 17.387 1.00 0.55 N ATOM 1606 CA VAL A 105 2.657 8.186 16.718 1.00 0.57 C ATOM 1607 C VAL A 105 2.839 6.729 17.113 1.00 0.51 C ATOM 1608 O VAL A 105 2.979 6.404 18.274 1.00 0.51 O ATOM 1609 CB VAL A 105 3.859 9.015 17.179 1.00 0.66 C ATOM 1610 CG1 VAL A 105 5.152 8.251 16.883 1.00 0.40 C ATOM 1611 CG2 VAL A 105 3.873 10.346 16.424 1.00 0.90 C ATOM 0 H VAL A 105 1.405 8.539 18.400 1.00 0.55 H new ATOM 0 HA VAL A 105 2.580 8.290 15.636 1.00 0.57 H new ATOM 0 HB VAL A 105 3.784 9.200 18.251 1.00 0.66 H new ATOM 0 HG11 VAL A 105 6.007 8.842 17.211 1.00 0.40 H new ATOM 0 HG12 VAL A 105 5.142 7.300 17.415 1.00 0.40 H new ATOM 0 HG13 VAL A 105 5.229 8.067 15.811 1.00 0.40 H new ATOM 0 HG21 VAL A 105 4.727 10.940 16.749 1.00 0.90 H new ATOM 0 HG22 VAL A 105 3.949 10.156 15.353 1.00 0.90 H new ATOM 0 HG23 VAL A 105 2.952 10.891 16.631 1.00 0.90 H new ATOM 1621 N VAL A 106 2.796 5.845 16.167 1.00 0.46 N ATOM 1622 CA VAL A 106 2.921 4.408 16.506 1.00 0.41 C ATOM 1623 C VAL A 106 4.370 3.952 16.382 1.00 0.38 C ATOM 1624 O VAL A 106 5.094 4.353 15.496 1.00 0.35 O ATOM 1625 CB VAL A 106 2.031 3.601 15.568 1.00 0.35 C ATOM 1626 CG1 VAL A 106 1.796 2.207 16.157 1.00 0.29 C ATOM 1627 CG2 VAL A 106 0.690 4.324 15.415 1.00 0.36 C ATOM 0 H VAL A 106 2.680 6.053 15.175 1.00 0.46 H new ATOM 0 HA VAL A 106 2.606 4.251 17.538 1.00 0.41 H new ATOM 0 HB VAL A 106 2.512 3.502 14.595 1.00 0.35 H new ATOM 0 HG11 VAL A 106 1.159 1.631 15.485 1.00 0.29 H new ATOM 0 HG12 VAL A 106 2.752 1.697 16.278 1.00 0.29 H new ATOM 0 HG13 VAL A 106 1.309 2.300 17.128 1.00 0.29 H new ATOM 0 HG21 VAL A 106 0.044 3.756 14.746 1.00 0.36 H new ATOM 0 HG22 VAL A 106 0.212 4.414 16.390 1.00 0.36 H new ATOM 0 HG23 VAL A 106 0.858 5.318 15.000 1.00 0.36 H new ATOM 1637 N THR A 107 4.785 3.109 17.279 1.00 0.40 N ATOM 1638 CA THR A 107 6.177 2.597 17.254 1.00 0.37 C ATOM 1639 C THR A 107 6.132 1.100 17.012 1.00 0.49 C ATOM 1640 O THR A 107 5.322 0.403 17.574 1.00 1.02 O ATOM 1641 CB THR A 107 6.846 2.858 18.611 1.00 0.36 C ATOM 1642 OG1 THR A 107 6.983 4.257 18.808 1.00 0.24 O ATOM 1643 CG2 THR A 107 8.228 2.198 18.642 1.00 0.54 C ATOM 0 H THR A 107 4.210 2.748 18.040 1.00 0.40 H new ATOM 0 HA THR A 107 6.742 3.097 16.467 1.00 0.37 H new ATOM 0 HB THR A 107 6.229 2.437 19.405 1.00 0.36 H new ATOM 0 HG1 THR A 107 7.408 4.425 19.675 1.00 0.24 H new ATOM 0 HG21 THR A 107 8.699 2.386 19.607 1.00 0.54 H new ATOM 0 HG22 THR A 107 8.121 1.123 18.493 1.00 0.54 H new ATOM 0 HG23 THR A 107 8.848 2.615 17.848 1.00 0.54 H new ATOM 1651 N VAL A 108 6.998 0.598 16.195 1.00 0.10 N ATOM 1652 CA VAL A 108 7.016 -0.861 15.944 1.00 0.15 C ATOM 1653 C VAL A 108 8.386 -1.362 16.372 1.00 0.15 C ATOM 1654 O VAL A 108 9.392 -0.811 15.988 1.00 0.13 O ATOM 1655 CB VAL A 108 6.784 -1.123 14.461 1.00 0.21 C ATOM 1656 CG1 VAL A 108 8.075 -1.636 13.816 1.00 0.38 C ATOM 1657 CG2 VAL A 108 5.669 -2.160 14.310 1.00 0.11 C ATOM 0 H VAL A 108 7.699 1.136 15.686 1.00 0.10 H new ATOM 0 HA VAL A 108 6.232 -1.376 16.500 1.00 0.15 H new ATOM 0 HB VAL A 108 6.491 -0.199 13.963 1.00 0.21 H new ATOM 0 HG11 VAL A 108 7.903 -1.822 12.756 1.00 0.38 H new ATOM 0 HG12 VAL A 108 8.861 -0.889 13.931 1.00 0.38 H new ATOM 0 HG13 VAL A 108 8.381 -2.563 14.302 1.00 0.38 H new ATOM 0 HG21 VAL A 108 5.495 -2.355 13.252 1.00 0.11 H new ATOM 0 HG22 VAL A 108 5.963 -3.085 14.806 1.00 0.11 H new ATOM 0 HG23 VAL A 108 4.754 -1.779 14.764 1.00 0.11 H new ATOM 1667 N LYS A 109 8.458 -2.359 17.200 1.00 0.21 N ATOM 1668 CA LYS A 109 9.801 -2.792 17.657 1.00 0.23 C ATOM 1669 C LYS A 109 9.906 -4.313 17.739 1.00 0.25 C ATOM 1670 O LYS A 109 9.113 -4.971 18.370 1.00 0.25 O ATOM 1671 CB LYS A 109 10.049 -2.189 19.043 1.00 0.25 C ATOM 1672 CG LYS A 109 11.518 -1.801 19.177 1.00 0.26 C ATOM 1673 CD LYS A 109 12.026 -2.202 20.566 1.00 0.24 C ATOM 1674 CE LYS A 109 11.076 -1.654 21.631 1.00 0.37 C ATOM 1675 NZ LYS A 109 11.616 -1.957 22.986 1.00 2.41 N ATOM 0 H LYS A 109 7.666 -2.883 17.573 1.00 0.21 H new ATOM 0 HA LYS A 109 10.546 -2.449 16.939 1.00 0.23 H new ATOM 0 HB2 LYS A 109 9.416 -1.313 19.188 1.00 0.25 H new ATOM 0 HB3 LYS A 109 9.780 -2.908 19.817 1.00 0.25 H new ATOM 0 HG2 LYS A 109 12.108 -2.295 18.405 1.00 0.26 H new ATOM 0 HG3 LYS A 109 11.637 -0.727 19.030 1.00 0.26 H new ATOM 0 HD2 LYS A 109 12.089 -3.287 20.643 1.00 0.24 H new ATOM 0 HD3 LYS A 109 13.031 -1.812 20.724 1.00 0.24 H new ATOM 0 HE2 LYS A 109 10.958 -0.577 21.508 1.00 0.37 H new ATOM 0 HE3 LYS A 109 10.088 -2.099 21.515 1.00 0.37 H new ATOM 0 HZ1 LYS A 109 10.969 -1.584 23.709 1.00 2.41 H new ATOM 0 HZ2 LYS A 109 11.707 -2.987 23.101 1.00 2.41 H new ATOM 0 HZ3 LYS A 109 12.550 -1.513 23.095 1.00 2.41 H new ATOM 1689 N LEU A 110 10.920 -4.865 17.144 1.00 0.25 N ATOM 1690 CA LEU A 110 11.120 -6.334 17.222 1.00 0.26 C ATOM 1691 C LEU A 110 12.232 -6.578 18.231 1.00 0.28 C ATOM 1692 O LEU A 110 13.201 -5.851 18.265 1.00 0.29 O ATOM 1693 CB LEU A 110 11.552 -6.890 15.860 1.00 0.21 C ATOM 1694 CG LEU A 110 10.356 -6.975 14.908 1.00 0.25 C ATOM 1695 CD1 LEU A 110 10.663 -7.997 13.811 1.00 0.39 C ATOM 1696 CD2 LEU A 110 9.106 -7.418 15.670 1.00 0.22 C ATOM 0 H LEU A 110 11.623 -4.360 16.604 1.00 0.25 H new ATOM 0 HA LEU A 110 10.193 -6.827 17.515 1.00 0.26 H new ATOM 0 HB2 LEU A 110 12.322 -6.251 15.428 1.00 0.21 H new ATOM 0 HB3 LEU A 110 11.993 -7.879 15.988 1.00 0.21 H new ATOM 0 HG LEU A 110 10.177 -5.993 14.469 1.00 0.25 H new ATOM 0 HD11 LEU A 110 9.816 -8.064 13.128 1.00 0.39 H new ATOM 0 HD12 LEU A 110 11.550 -7.684 13.260 1.00 0.39 H new ATOM 0 HD13 LEU A 110 10.843 -8.973 14.263 1.00 0.39 H new ATOM 0 HD21 LEU A 110 8.262 -7.475 14.983 1.00 0.22 H new ATOM 0 HD22 LEU A 110 9.279 -8.398 16.114 1.00 0.22 H new ATOM 0 HD23 LEU A 110 8.885 -6.697 16.457 1.00 0.22 H new ATOM 1708 N ILE A 111 12.105 -7.565 19.071 1.00 0.28 N ATOM 1709 CA ILE A 111 13.165 -7.806 20.069 1.00 0.29 C ATOM 1710 C ILE A 111 13.516 -9.289 20.099 1.00 0.27 C ATOM 1711 O ILE A 111 12.707 -10.124 20.453 1.00 0.26 O ATOM 1712 CB ILE A 111 12.672 -7.377 21.445 1.00 0.29 C ATOM 1713 CG1 ILE A 111 12.458 -5.862 21.469 1.00 0.28 C ATOM 1714 CG2 ILE A 111 13.724 -7.761 22.470 1.00 0.29 C ATOM 1715 CD1 ILE A 111 11.055 -5.537 20.957 1.00 0.38 C ATOM 0 H ILE A 111 11.315 -8.209 19.105 1.00 0.28 H new ATOM 0 HA ILE A 111 14.050 -7.230 19.800 1.00 0.29 H new ATOM 0 HB ILE A 111 11.726 -7.868 21.674 1.00 0.29 H new ATOM 0 HG12 ILE A 111 12.584 -5.482 22.483 1.00 0.28 H new ATOM 0 HG13 ILE A 111 13.206 -5.368 20.849 1.00 0.28 H new ATOM 0 HG21 ILE A 111 13.390 -7.462 23.464 1.00 0.29 H new ATOM 0 HG22 ILE A 111 13.877 -8.840 22.448 1.00 0.29 H new ATOM 0 HG23 ILE A 111 14.662 -7.257 22.235 1.00 0.29 H new ATOM 0 HD11 ILE A 111 10.902 -4.458 20.974 1.00 0.38 H new ATOM 0 HD12 ILE A 111 10.947 -5.903 19.936 1.00 0.38 H new ATOM 0 HD13 ILE A 111 10.314 -6.018 21.595 1.00 0.38 H new ATOM 1727 N GLY A 112 14.722 -9.622 19.738 1.00 0.27 N ATOM 1728 CA GLY A 112 15.132 -11.050 19.754 1.00 0.24 C ATOM 1729 C GLY A 112 15.669 -11.400 21.141 1.00 0.27 C ATOM 1730 O GLY A 112 15.077 -11.066 22.149 1.00 0.28 O ATOM 0 H GLY A 112 15.441 -8.966 19.433 1.00 0.27 H new ATOM 0 HA2 GLY A 112 14.283 -11.688 19.507 1.00 0.24 H new ATOM 0 HA3 GLY A 112 15.896 -11.230 18.998 1.00 0.24 H new ATOM 1734 N ASP A 113 16.785 -12.068 21.203 1.00 0.33 N ATOM 1735 CA ASP A 113 17.357 -12.435 22.528 1.00 0.36 C ATOM 1736 C ASP A 113 18.636 -11.631 22.779 1.00 0.38 C ATOM 1737 O ASP A 113 19.255 -11.744 23.819 1.00 0.41 O ATOM 1738 CB ASP A 113 17.687 -13.929 22.537 1.00 0.35 C ATOM 1739 CG ASP A 113 16.392 -14.741 22.483 1.00 1.23 C ATOM 1740 OD1 ASP A 113 15.333 -14.134 22.510 1.00 2.91 O ATOM 1741 OD2 ASP A 113 16.479 -15.956 22.417 1.00 0.86 O ATOM 0 H ASP A 113 17.326 -12.376 20.395 1.00 0.33 H new ATOM 0 HA ASP A 113 16.632 -12.212 23.311 1.00 0.36 H new ATOM 0 HB2 ASP A 113 18.319 -14.177 21.685 1.00 0.35 H new ATOM 0 HB3 ASP A 113 18.250 -14.182 23.436 1.00 0.35 H new ATOM 1746 N ASN A 114 19.045 -10.826 21.835 1.00 0.36 N ATOM 1747 CA ASN A 114 20.292 -10.031 22.031 1.00 0.38 C ATOM 1748 C ASN A 114 19.974 -8.531 22.011 1.00 0.34 C ATOM 1749 O ASN A 114 20.851 -7.703 22.156 1.00 0.32 O ATOM 1750 CB ASN A 114 21.281 -10.356 20.908 1.00 0.38 C ATOM 1751 CG ASN A 114 22.360 -11.304 21.436 1.00 0.58 C ATOM 1752 OD1 ASN A 114 23.535 -11.097 21.201 1.00 0.95 O ATOM 1753 ND2 ASN A 114 22.009 -12.343 22.144 1.00 1.86 N ATOM 0 H ASN A 114 18.573 -10.685 20.942 1.00 0.36 H new ATOM 0 HA ASN A 114 20.729 -10.287 22.996 1.00 0.38 H new ATOM 0 HB2 ASN A 114 20.757 -10.815 20.069 1.00 0.38 H new ATOM 0 HB3 ASN A 114 21.738 -9.439 20.535 1.00 0.38 H new ATOM 0 HD21 ASN A 114 22.720 -12.981 22.500 1.00 1.86 H new ATOM 0 HD22 ASN A 114 21.023 -12.516 22.341 1.00 1.86 H new ATOM 1760 N GLY A 115 18.730 -8.171 21.834 1.00 0.33 N ATOM 1761 CA GLY A 115 18.377 -6.722 21.810 1.00 0.29 C ATOM 1762 C GLY A 115 17.142 -6.501 20.935 1.00 0.29 C ATOM 1763 O GLY A 115 16.358 -7.402 20.710 1.00 0.23 O ATOM 0 H GLY A 115 17.948 -8.813 21.706 1.00 0.33 H new ATOM 0 HA2 GLY A 115 18.183 -6.369 22.823 1.00 0.29 H new ATOM 0 HA3 GLY A 115 19.215 -6.141 21.425 1.00 0.29 H new ATOM 1767 N VAL A 116 16.963 -5.306 20.437 1.00 0.38 N ATOM 1768 CA VAL A 116 15.779 -5.030 19.576 1.00 0.37 C ATOM 1769 C VAL A 116 16.104 -5.390 18.124 1.00 0.34 C ATOM 1770 O VAL A 116 16.897 -4.740 17.475 1.00 0.35 O ATOM 1771 CB VAL A 116 15.420 -3.545 19.655 1.00 0.43 C ATOM 1772 CG1 VAL A 116 14.095 -3.327 18.940 1.00 0.32 C ATOM 1773 CG2 VAL A 116 15.287 -3.123 21.121 1.00 0.86 C ATOM 0 H VAL A 116 17.585 -4.512 20.590 1.00 0.38 H new ATOM 0 HA VAL A 116 14.938 -5.629 19.923 1.00 0.37 H new ATOM 0 HB VAL A 116 16.201 -2.949 19.184 1.00 0.43 H new ATOM 0 HG11 VAL A 116 13.825 -2.272 18.988 1.00 0.32 H new ATOM 0 HG12 VAL A 116 14.190 -3.631 17.897 1.00 0.32 H new ATOM 0 HG13 VAL A 116 13.319 -3.922 19.422 1.00 0.32 H new ATOM 0 HG21 VAL A 116 15.031 -2.065 21.173 1.00 0.86 H new ATOM 0 HG22 VAL A 116 14.503 -3.710 21.599 1.00 0.86 H new ATOM 0 HG23 VAL A 116 16.232 -3.294 21.636 1.00 0.86 H new ATOM 1783 N LEU A 117 15.497 -6.427 17.616 1.00 0.29 N ATOM 1784 CA LEU A 117 15.766 -6.838 16.207 1.00 0.26 C ATOM 1785 C LEU A 117 15.446 -5.691 15.235 1.00 0.35 C ATOM 1786 O LEU A 117 16.150 -5.483 14.268 1.00 0.38 O ATOM 1787 CB LEU A 117 14.889 -8.041 15.858 1.00 0.15 C ATOM 1788 CG LEU A 117 15.540 -9.320 16.380 1.00 0.10 C ATOM 1789 CD1 LEU A 117 14.504 -10.445 16.395 1.00 0.14 C ATOM 1790 CD2 LEU A 117 16.704 -9.708 15.465 1.00 0.37 C ATOM 0 H LEU A 117 14.825 -7.009 18.116 1.00 0.29 H new ATOM 0 HA LEU A 117 16.821 -7.096 16.115 1.00 0.26 H new ATOM 0 HB2 LEU A 117 13.898 -7.921 16.296 1.00 0.15 H new ATOM 0 HB3 LEU A 117 14.754 -8.104 14.778 1.00 0.15 H new ATOM 0 HG LEU A 117 15.913 -9.155 17.391 1.00 0.10 H new ATOM 0 HD11 LEU A 117 14.965 -11.360 16.767 1.00 0.14 H new ATOM 0 HD12 LEU A 117 13.674 -10.167 17.045 1.00 0.14 H new ATOM 0 HD13 LEU A 117 14.133 -10.611 15.384 1.00 0.14 H new ATOM 0 HD21 LEU A 117 17.170 -10.621 15.836 1.00 0.37 H new ATOM 0 HD22 LEU A 117 16.332 -9.876 14.454 1.00 0.37 H new ATOM 0 HD23 LEU A 117 17.440 -8.904 15.452 1.00 0.37 H new ATOM 1802 N ALA A 118 14.389 -4.953 15.464 1.00 0.40 N ATOM 1803 CA ALA A 118 14.046 -3.845 14.524 1.00 0.51 C ATOM 1804 C ALA A 118 13.325 -2.733 15.286 1.00 0.46 C ATOM 1805 O ALA A 118 13.063 -2.848 16.462 1.00 0.64 O ATOM 1806 CB ALA A 118 13.131 -4.383 13.422 1.00 0.63 C ATOM 0 H ALA A 118 13.754 -5.069 16.254 1.00 0.40 H new ATOM 0 HA ALA A 118 14.959 -3.447 14.081 1.00 0.51 H new ATOM 0 HB1 ALA A 118 12.878 -3.577 12.733 1.00 0.63 H new ATOM 0 HB2 ALA A 118 13.644 -5.177 12.879 1.00 0.63 H new ATOM 0 HB3 ALA A 118 12.219 -4.779 13.868 1.00 0.63 H new ATOM 1812 N CYS A 119 12.999 -1.658 14.632 1.00 0.27 N ATOM 1813 CA CYS A 119 12.300 -0.563 15.352 1.00 0.26 C ATOM 1814 C CYS A 119 11.799 0.481 14.341 1.00 0.33 C ATOM 1815 O CYS A 119 12.408 0.696 13.311 1.00 0.52 O ATOM 1816 CB CYS A 119 13.274 0.082 16.342 1.00 0.34 C ATOM 1817 SG CYS A 119 12.897 1.844 16.507 1.00 0.63 S ATOM 0 H CYS A 119 13.183 -1.490 13.643 1.00 0.27 H new ATOM 0 HA CYS A 119 11.444 -0.961 15.896 1.00 0.26 H new ATOM 0 HB2 CYS A 119 13.199 -0.408 17.313 1.00 0.34 H new ATOM 0 HB3 CYS A 119 14.299 -0.050 15.997 1.00 0.34 H new ATOM 1822 N ALA A 120 10.693 1.127 14.619 1.00 0.25 N ATOM 1823 CA ALA A 120 10.164 2.146 13.668 1.00 0.38 C ATOM 1824 C ALA A 120 9.365 3.204 14.435 1.00 0.32 C ATOM 1825 O ALA A 120 8.769 2.925 15.457 1.00 0.26 O ATOM 1826 CB ALA A 120 9.248 1.471 12.649 1.00 0.51 C ATOM 0 H ALA A 120 10.136 0.991 15.463 1.00 0.25 H new ATOM 0 HA ALA A 120 11.000 2.620 13.154 1.00 0.38 H new ATOM 0 HB1 ALA A 120 8.863 2.218 11.955 1.00 0.51 H new ATOM 0 HB2 ALA A 120 9.811 0.718 12.096 1.00 0.51 H new ATOM 0 HB3 ALA A 120 8.416 0.994 13.167 1.00 0.51 H new ATOM 1832 N ILE A 121 9.345 4.418 13.952 1.00 0.36 N ATOM 1833 CA ILE A 121 8.582 5.489 14.650 1.00 0.33 C ATOM 1834 C ILE A 121 7.811 6.321 13.617 1.00 0.37 C ATOM 1835 O ILE A 121 8.392 6.917 12.732 1.00 0.45 O ATOM 1836 CB ILE A 121 9.563 6.383 15.405 1.00 0.41 C ATOM 1837 CG1 ILE A 121 10.191 5.590 16.553 1.00 0.18 C ATOM 1838 CG2 ILE A 121 8.821 7.592 15.963 1.00 0.63 C ATOM 1839 CD1 ILE A 121 11.273 6.436 17.221 1.00 0.54 C ATOM 0 H ILE A 121 9.826 4.713 13.102 1.00 0.36 H new ATOM 0 HA ILE A 121 7.875 5.046 15.352 1.00 0.33 H new ATOM 0 HB ILE A 121 10.347 6.722 14.727 1.00 0.41 H new ATOM 0 HG12 ILE A 121 9.427 5.316 17.281 1.00 0.18 H new ATOM 0 HG13 ILE A 121 10.620 4.662 16.176 1.00 0.18 H new ATOM 0 HG21 ILE A 121 9.520 8.231 16.502 1.00 0.63 H new ATOM 0 HG22 ILE A 121 8.373 8.154 15.143 1.00 0.63 H new ATOM 0 HG23 ILE A 121 8.038 7.256 16.643 1.00 0.63 H new ATOM 0 HD11 ILE A 121 11.722 5.873 18.039 1.00 0.54 H new ATOM 0 HD12 ILE A 121 12.041 6.688 16.490 1.00 0.54 H new ATOM 0 HD13 ILE A 121 10.829 7.352 17.611 1.00 0.54 H new ATOM 1851 N ALA A 122 6.509 6.367 13.713 1.00 0.33 N ATOM 1852 CA ALA A 122 5.716 7.156 12.722 1.00 0.38 C ATOM 1853 C ALA A 122 5.577 8.604 13.199 1.00 0.42 C ATOM 1854 O ALA A 122 5.592 8.884 14.381 1.00 0.55 O ATOM 1855 CB ALA A 122 4.325 6.536 12.570 1.00 0.47 C ATOM 0 H ALA A 122 5.961 5.895 14.432 1.00 0.33 H new ATOM 0 HA ALA A 122 6.231 7.142 11.761 1.00 0.38 H new ATOM 0 HB1 ALA A 122 3.747 7.112 11.847 1.00 0.47 H new ATOM 0 HB2 ALA A 122 4.421 5.508 12.221 1.00 0.47 H new ATOM 0 HB3 ALA A 122 3.815 6.546 13.533 1.00 0.47 H new ATOM 1861 N THR A 123 5.459 9.531 12.284 1.00 0.37 N ATOM 1862 CA THR A 123 5.333 10.964 12.683 1.00 0.42 C ATOM 1863 C THR A 123 3.931 11.488 12.358 1.00 0.61 C ATOM 1864 O THR A 123 3.641 12.653 12.540 1.00 2.16 O ATOM 1865 CB THR A 123 6.373 11.790 11.922 1.00 0.45 C ATOM 1866 OG1 THR A 123 6.121 13.172 12.131 1.00 2.76 O ATOM 1867 CG2 THR A 123 6.285 11.471 10.429 1.00 2.44 C ATOM 0 H THR A 123 5.444 9.358 11.279 1.00 0.37 H new ATOM 0 HA THR A 123 5.500 11.050 13.757 1.00 0.42 H new ATOM 0 HB THR A 123 7.371 11.545 12.284 1.00 0.45 H new ATOM 0 HG1 THR A 123 5.290 13.280 12.639 1.00 2.76 H new ATOM 0 HG21 THR A 123 7.026 12.059 9.887 1.00 2.44 H new ATOM 0 HG22 THR A 123 6.478 10.410 10.272 1.00 2.44 H new ATOM 0 HG23 THR A 123 5.288 11.716 10.063 1.00 2.44 H new ATOM 1875 N HIS A 124 3.055 10.646 11.881 1.00 0.97 N ATOM 1876 CA HIS A 124 1.681 11.121 11.556 1.00 0.83 C ATOM 1877 C HIS A 124 0.655 10.143 12.122 1.00 0.82 C ATOM 1878 O HIS A 124 0.997 9.097 12.637 1.00 1.65 O ATOM 1879 CB HIS A 124 1.519 11.229 10.033 1.00 0.92 C ATOM 1880 CG HIS A 124 1.782 9.895 9.391 1.00 3.62 C ATOM 1881 ND1 HIS A 124 1.490 8.615 9.784 1.00 4.31 N flip ATOM 1882 CD2 HIS A 124 2.423 9.777 8.167 1.00 5.96 C flip ATOM 1883 CE1 HIS A 124 1.942 7.714 8.825 1.00 6.97 C flip ATOM 1884 NE2 HIS A 124 2.495 8.467 7.871 1.00 8.08 N flip ATOM 0 H HIS A 124 3.230 9.657 11.703 1.00 0.97 H new ATOM 0 HA HIS A 124 1.521 12.103 12.001 1.00 0.83 H new ATOM 0 HB2 HIS A 124 0.512 11.567 9.789 1.00 0.92 H new ATOM 0 HB3 HIS A 124 2.209 11.974 9.638 1.00 0.92 H new ATOM 0 HD2 HIS A 124 2.797 10.589 7.561 1.00 5.96 H new ATOM 0 HE1 HIS A 124 1.863 6.637 8.847 1.00 6.97 H new ATOM 0 HE2 HIS A 124 2.920 8.094 7.022 1.00 8.08 H new ATOM 1892 N GLY A 125 -0.604 10.471 12.035 1.00 1.05 N ATOM 1893 CA GLY A 125 -1.644 9.552 12.567 1.00 1.09 C ATOM 1894 C GLY A 125 -2.600 10.308 13.492 1.00 0.83 C ATOM 1895 O GLY A 125 -2.259 11.314 14.074 1.00 0.71 O ATOM 0 H GLY A 125 -0.955 11.334 11.619 1.00 1.05 H new ATOM 0 HA2 GLY A 125 -2.201 9.107 11.743 1.00 1.09 H new ATOM 0 HA3 GLY A 125 -1.172 8.734 13.111 1.00 1.09 H new ATOM 1899 N LYS A 126 -3.794 9.810 13.626 1.00 0.79 N ATOM 1900 CA LYS A 126 -4.804 10.446 14.517 1.00 0.61 C ATOM 1901 C LYS A 126 -5.748 9.336 14.995 1.00 0.61 C ATOM 1902 O LYS A 126 -6.076 8.442 14.242 1.00 0.66 O ATOM 1903 CB LYS A 126 -5.591 11.505 13.740 1.00 0.64 C ATOM 1904 CG LYS A 126 -4.690 12.712 13.470 1.00 0.63 C ATOM 1905 CD LYS A 126 -5.542 13.978 13.374 1.00 0.61 C ATOM 1906 CE LYS A 126 -5.813 14.306 11.904 1.00 1.23 C ATOM 1907 NZ LYS A 126 -6.891 13.418 11.387 1.00 2.79 N ATOM 0 H LYS A 126 -4.121 8.971 13.146 1.00 0.79 H new ATOM 0 HA LYS A 126 -4.323 10.936 15.364 1.00 0.61 H new ATOM 0 HB2 LYS A 126 -5.951 11.089 12.799 1.00 0.64 H new ATOM 0 HB3 LYS A 126 -6.468 11.812 14.309 1.00 0.64 H new ATOM 0 HG2 LYS A 126 -3.955 12.816 14.269 1.00 0.63 H new ATOM 0 HG3 LYS A 126 -4.135 12.564 12.544 1.00 0.63 H new ATOM 0 HD2 LYS A 126 -6.483 13.836 13.905 1.00 0.61 H new ATOM 0 HD3 LYS A 126 -5.028 14.811 13.854 1.00 0.61 H new ATOM 0 HE2 LYS A 126 -6.107 15.350 11.802 1.00 1.23 H new ATOM 0 HE3 LYS A 126 -4.904 14.172 11.317 1.00 1.23 H new ATOM 0 HZ1 LYS A 126 -6.504 12.795 10.650 1.00 2.79 H new ATOM 0 HZ2 LYS A 126 -7.268 12.840 12.165 1.00 2.79 H new ATOM 0 HZ3 LYS A 126 -7.655 13.998 10.985 1.00 2.79 H new ATOM 1921 N ILE A 127 -6.177 9.353 16.227 1.00 0.54 N ATOM 1922 CA ILE A 127 -7.077 8.254 16.685 1.00 0.54 C ATOM 1923 C ILE A 127 -8.526 8.732 16.782 1.00 0.55 C ATOM 1924 O ILE A 127 -8.811 9.827 17.223 1.00 0.58 O ATOM 1925 CB ILE A 127 -6.636 7.738 18.054 1.00 0.51 C ATOM 1926 CG1 ILE A 127 -5.268 7.071 17.931 1.00 0.47 C ATOM 1927 CG2 ILE A 127 -7.650 6.707 18.539 1.00 0.45 C ATOM 1928 CD1 ILE A 127 -4.777 6.648 19.321 1.00 0.48 C ATOM 0 H ILE A 127 -5.951 10.063 16.924 1.00 0.54 H new ATOM 0 HA ILE A 127 -7.014 7.452 15.949 1.00 0.54 H new ATOM 0 HB ILE A 127 -6.574 8.567 18.759 1.00 0.51 H new ATOM 0 HG12 ILE A 127 -5.333 6.202 17.277 1.00 0.47 H new ATOM 0 HG13 ILE A 127 -4.556 7.759 17.476 1.00 0.47 H new ATOM 0 HG21 ILE A 127 -7.347 6.330 19.516 1.00 0.45 H new ATOM 0 HG22 ILE A 127 -8.632 7.172 18.618 1.00 0.45 H new ATOM 0 HG23 ILE A 127 -7.696 5.881 17.830 1.00 0.45 H new ATOM 0 HD11 ILE A 127 -3.800 6.172 19.233 1.00 0.48 H new ATOM 0 HD12 ILE A 127 -4.696 7.527 19.961 1.00 0.48 H new ATOM 0 HD13 ILE A 127 -5.485 5.944 19.759 1.00 0.48 H new ATOM 1940 N ARG A 128 -9.440 7.887 16.391 1.00 0.54 N ATOM 1941 CA ARG A 128 -10.889 8.233 16.468 1.00 0.59 C ATOM 1942 C ARG A 128 -11.611 7.110 17.212 1.00 0.53 C ATOM 1943 O ARG A 128 -11.023 6.099 17.540 1.00 0.45 O ATOM 1944 CB ARG A 128 -11.476 8.367 15.064 1.00 0.71 C ATOM 1945 CG ARG A 128 -11.124 9.744 14.491 1.00 0.71 C ATOM 1946 CD ARG A 128 -12.235 10.206 13.548 1.00 0.77 C ATOM 1947 NE ARG A 128 -11.937 11.586 13.071 1.00 0.97 N ATOM 1948 CZ ARG A 128 -10.755 11.872 12.604 1.00 1.38 C ATOM 1949 NH1 ARG A 128 -9.725 11.902 13.404 1.00 3.14 N ATOM 1950 NH2 ARG A 128 -10.603 12.131 11.334 1.00 1.89 N ATOM 0 H ARG A 128 -9.242 6.959 16.016 1.00 0.54 H new ATOM 0 HA ARG A 128 -11.013 9.182 16.990 1.00 0.59 H new ATOM 0 HB2 ARG A 128 -11.084 7.582 14.418 1.00 0.71 H new ATOM 0 HB3 ARG A 128 -12.558 8.241 15.097 1.00 0.71 H new ATOM 0 HG2 ARG A 128 -10.997 10.464 15.300 1.00 0.71 H new ATOM 0 HG3 ARG A 128 -10.176 9.695 13.956 1.00 0.71 H new ATOM 0 HD2 ARG A 128 -12.314 9.525 12.700 1.00 0.77 H new ATOM 0 HD3 ARG A 128 -13.196 10.187 14.063 1.00 0.77 H new ATOM 0 HE ARG A 128 -12.658 12.306 13.110 1.00 0.97 H new ATOM 0 HH11 ARG A 128 -9.844 11.701 14.397 1.00 3.14 H new ATOM 0 HH12 ARG A 128 -8.800 12.126 13.037 1.00 3.14 H new ATOM 0 HH21 ARG A 128 -11.409 12.109 10.709 1.00 1.89 H new ATOM 0 HH22 ARG A 128 -9.678 12.355 10.966 1.00 1.89 H new ATOM 1964 N ASP A 129 -12.878 7.266 17.479 1.00 0.59 N ATOM 1965 CA ASP A 129 -13.617 6.192 18.200 1.00 0.59 C ATOM 1966 C ASP A 129 -14.318 5.285 17.187 1.00 0.72 C ATOM 1967 O ASP A 129 -14.561 5.741 16.081 1.00 0.87 O ATOM 1968 CB ASP A 129 -14.659 6.820 19.127 1.00 0.60 C ATOM 1969 CG ASP A 129 -15.852 5.872 19.264 1.00 0.61 C ATOM 1970 OD1 ASP A 129 -16.620 5.778 18.321 1.00 0.46 O ATOM 1971 OD2 ASP A 129 -15.978 5.259 20.311 1.00 0.97 O ATOM 1972 OXT ASP A 129 -14.602 4.151 17.534 1.00 0.84 O ATOM 0 H ASP A 129 -13.431 8.086 17.231 1.00 0.59 H new ATOM 0 HA ASP A 129 -12.914 5.604 18.790 1.00 0.59 H new ATOM 0 HB2 ASP A 129 -14.221 7.015 20.106 1.00 0.60 H new ATOM 0 HB3 ASP A 129 -14.987 7.780 18.727 1.00 0.60 H new TER 1977 ASP A 129