USER MOD reduce.3.24.130724 H: found=0, std=0, add=1086, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 1081 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 12 GLN : amide:sc= 0.0305 X(o=0.93,f=0.56) USER MOD Set 1.2: A 128 TYR OH : rot 70:sc= 0.153 USER MOD Set 1.3: A 130 LYS NZ :NH3+ -134:sc= 0.746 (180deg=0.107) USER MOD Single : A 1 GLU N :NH3+ 154:sc= 0.326 (180deg=-0.0572) USER MOD Single : A 5 HIS : no HD1:sc= -0.969 X(o=-0.97,f=-0.55) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0449 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= 0 K(o=0,f=-2!) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot -7:sc= 0.271 USER MOD Single : A 24 GLN : amide:sc= -0.749 K(o=-0.75,f=-0.24) USER MOD Single : A 25 LYS NZ :NH3+ -137:sc= 0.0557! (180deg=-1.97!) USER MOD Single : A 26 THR OG1 : rot -145:sc= 0.226 USER MOD Single : A 29 THR OG1 : rot -90:sc= 0.203 USER MOD Single : A 32 THR OG1 : rot 47:sc= 0.323 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot -65:sc= 0.888 USER MOD Single : A 41 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.178) USER MOD Single : A 43 THR OG1 : rot 32:sc= 0.173 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -154:sc=-0.00679 (180deg=-0.336) USER MOD Single : A 48 THR OG1 : rot 47:sc= -1.03! USER MOD Single : A 54 THR OG1 : rot 76:sc= 0.228 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 TYR OH : rot 30:sc= 0 USER MOD Single : A 61 SER OG : rot 84:sc= 0.929 USER MOD Single : A 62 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 63 HIS : no HD1:sc= -2.33 K(o=-2.3,f=-0.79) USER MOD Single : A 65 LYS NZ :NH3+ 149:sc= -0.0379 (180deg=-0.595) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.0065 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.026 USER MOD Single : A 75 GLN : amide:sc= -1.72! C(o=-1.7!,f=-9.2!) USER MOD Single : A 76 GLN : amide:sc= -1.27 X(o=-1.3,f=-0.92) USER MOD Single : A 78 HIS : no HD1:sc= -0.36 X(o=-0.36,f=-0.02) USER MOD Single : A 80 HIS : no HE2:sc= -1.52 K(o=-1.5,f=-2.1) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN : amide:sc= 0.85 K(o=0.85,f=-0.066) USER MOD Single : A 101 ASN : amide:sc= -1.36! K(o=-1.4!,f=-0.06) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 GLN : amide:sc= -5.9! C(o=-5.9!,f=-5.1!) USER MOD Single : A 111 SER OG : rot -110:sc= -0.775 USER MOD Single : A 112 THR OG1 : rot 180:sc= -0.123 USER MOD Single : A 115 ASN : amide:sc=-0.00784 K(o=-0.0078,f=-2!) USER MOD Single : A 121 LYS NZ :NH3+ -128:sc= -1.65 (180deg=-3.91!) USER MOD Single : A 122 THR OG1 : rot 180:sc= 0.00652 USER MOD Single : A 124 MET CE :methyl -175:sc= -1.47 (180deg=-1.53) USER MOD Single : A 127 LYS NZ :NH3+ -158:sc= 0.359 (180deg=0.15) USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 132 SER OG : rot -160:sc= 0.0581 USER MOD Single : A 133 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -28.354 20.845 5.561 1.00 6.20 N ATOM 2 CA GLU A 1 -28.090 19.478 5.027 1.00 5.13 C ATOM 3 C GLU A 1 -28.766 19.325 3.663 1.00 5.36 C ATOM 4 O GLU A 1 -29.641 20.088 3.303 1.00 6.28 O ATOM 5 CB GLU A 1 -28.653 18.436 5.995 1.00 3.88 C ATOM 6 CG GLU A 1 -27.521 17.879 6.861 1.00 3.99 C ATOM 7 CD GLU A 1 -26.806 19.031 7.569 1.00 5.30 C ATOM 8 OE1 GLU A 1 -27.486 19.843 8.175 1.00 5.79 O ATOM 9 OE2 GLU A 1 -25.589 19.084 7.492 1.00 5.95 O ATOM 0 H1 GLU A 1 -28.304 20.828 6.600 1.00 6.20 H new ATOM 0 H2 GLU A 1 -27.641 21.506 5.191 1.00 6.20 H new ATOM 0 H3 GLU A 1 -29.301 21.156 5.265 1.00 6.20 H new ATOM 0 HA GLU A 1 -27.015 19.330 4.919 1.00 5.13 H new ATOM 0 HB2 GLU A 1 -29.419 18.887 6.626 1.00 3.88 H new ATOM 0 HB3 GLU A 1 -29.131 17.629 5.440 1.00 3.88 H new ATOM 0 HG2 GLU A 1 -27.921 17.179 7.595 1.00 3.99 H new ATOM 0 HG3 GLU A 1 -26.815 17.324 6.243 1.00 3.99 H new ATOM 18 N ALA A 2 -28.368 18.344 2.901 1.00 4.92 N ATOM 19 CA ALA A 2 -28.988 18.142 1.561 1.00 5.59 C ATOM 20 C ALA A 2 -28.539 16.796 0.989 1.00 5.11 C ATOM 21 O ALA A 2 -28.843 16.459 -0.139 1.00 5.50 O ATOM 22 CB ALA A 2 -28.548 19.267 0.622 1.00 7.02 C ATOM 0 H ALA A 2 -27.640 17.673 3.148 1.00 4.92 H new ATOM 0 HA ALA A 2 -30.074 18.152 1.657 1.00 5.59 H new ATOM 0 HB1 ALA A 2 -29.001 19.120 -0.359 1.00 7.02 H new ATOM 0 HB2 ALA A 2 -28.867 20.226 1.029 1.00 7.02 H new ATOM 0 HB3 ALA A 2 -27.462 19.257 0.525 1.00 7.02 H new ATOM 28 N GLU A 3 -27.818 16.024 1.760 1.00 4.44 N ATOM 29 CA GLU A 3 -27.347 14.697 1.267 1.00 4.02 C ATOM 30 C GLU A 3 -27.431 13.675 2.402 1.00 2.91 C ATOM 31 O GLU A 3 -27.754 14.006 3.526 1.00 2.94 O ATOM 32 CB GLU A 3 -25.896 14.810 0.791 1.00 4.82 C ATOM 33 CG GLU A 3 -25.402 16.245 0.984 1.00 5.72 C ATOM 34 CD GLU A 3 -23.941 16.344 0.543 1.00 6.72 C ATOM 35 OE1 GLU A 3 -23.208 15.395 0.767 1.00 6.45 O ATOM 36 OE2 GLU A 3 -23.578 17.368 -0.014 1.00 7.95 O ATOM 0 H GLU A 3 -27.535 16.257 2.712 1.00 4.44 H new ATOM 0 HA GLU A 3 -27.976 14.375 0.437 1.00 4.02 H new ATOM 0 HB2 GLU A 3 -25.265 14.119 1.350 1.00 4.82 H new ATOM 0 HB3 GLU A 3 -25.824 14.528 -0.260 1.00 4.82 H new ATOM 0 HG2 GLU A 3 -26.016 16.934 0.403 1.00 5.72 H new ATOM 0 HG3 GLU A 3 -25.498 16.537 2.030 1.00 5.72 H new ATOM 43 N ALA A 4 -27.142 12.435 2.119 1.00 2.21 N ATOM 44 CA ALA A 4 -27.205 11.393 3.182 1.00 1.36 C ATOM 45 C ALA A 4 -26.392 10.172 2.749 1.00 0.99 C ATOM 46 O ALA A 4 -26.185 9.250 3.512 1.00 1.41 O ATOM 47 CB ALA A 4 -28.661 10.983 3.409 1.00 1.26 C ATOM 0 H ALA A 4 -26.865 12.098 1.197 1.00 2.21 H new ATOM 0 HA ALA A 4 -26.792 11.794 4.108 1.00 1.36 H new ATOM 0 HB1 ALA A 4 -28.707 10.221 4.187 1.00 1.26 H new ATOM 0 HB2 ALA A 4 -29.240 11.853 3.719 1.00 1.26 H new ATOM 0 HB3 ALA A 4 -29.075 10.583 2.483 1.00 1.26 H new ATOM 53 N HIS A 5 -25.930 10.157 1.528 1.00 1.10 N ATOM 54 CA HIS A 5 -25.131 8.994 1.048 1.00 0.76 C ATOM 55 C HIS A 5 -23.957 8.754 1.999 1.00 0.85 C ATOM 56 O HIS A 5 -23.274 9.675 2.403 1.00 1.37 O ATOM 57 CB HIS A 5 -24.598 9.288 -0.355 1.00 1.10 C ATOM 58 CG HIS A 5 -25.538 10.223 -1.065 1.00 1.95 C ATOM 59 ND1 HIS A 5 -25.104 11.397 -1.659 1.00 2.66 N ATOM 60 CD2 HIS A 5 -26.893 10.171 -1.281 1.00 2.42 C ATOM 61 CE1 HIS A 5 -26.180 11.999 -2.200 1.00 3.27 C ATOM 62 NE2 HIS A 5 -27.296 11.294 -1.999 1.00 3.14 N ATOM 0 H HIS A 5 -26.071 10.899 0.843 1.00 1.10 H new ATOM 0 HA HIS A 5 -25.762 8.106 1.019 1.00 0.76 H new ATOM 0 HB2 HIS A 5 -23.605 9.733 -0.292 1.00 1.10 H new ATOM 0 HB3 HIS A 5 -24.497 8.360 -0.918 1.00 1.10 H new ATOM 0 HD2 HIS A 5 -27.547 9.380 -0.945 1.00 2.42 H new ATOM 0 HE1 HIS A 5 -26.145 12.938 -2.732 1.00 3.27 H new ATOM 0 HE2 HIS A 5 -28.240 11.528 -2.305 1.00 3.14 H new ATOM 70 N LYS A 6 -23.717 7.524 2.361 1.00 0.60 N ATOM 71 CA LYS A 6 -22.588 7.226 3.287 1.00 0.96 C ATOM 72 C LYS A 6 -21.335 6.896 2.473 1.00 0.82 C ATOM 73 O LYS A 6 -20.506 6.106 2.883 1.00 0.82 O ATOM 74 CB LYS A 6 -22.952 6.030 4.169 1.00 1.25 C ATOM 75 CG LYS A 6 -23.379 4.855 3.287 1.00 0.74 C ATOM 76 CD LYS A 6 -22.533 3.627 3.629 1.00 1.67 C ATOM 77 CE LYS A 6 -23.081 2.407 2.885 1.00 2.76 C ATOM 78 NZ LYS A 6 -22.028 1.354 2.816 1.00 4.08 N ATOM 0 H LYS A 6 -24.254 6.712 2.056 1.00 0.60 H new ATOM 0 HA LYS A 6 -22.395 8.095 3.916 1.00 0.96 H new ATOM 0 HB2 LYS A 6 -22.098 5.745 4.784 1.00 1.25 H new ATOM 0 HB3 LYS A 6 -23.759 6.299 4.850 1.00 1.25 H new ATOM 0 HG2 LYS A 6 -24.436 4.636 3.441 1.00 0.74 H new ATOM 0 HG3 LYS A 6 -23.257 5.113 2.235 1.00 0.74 H new ATOM 0 HD2 LYS A 6 -21.493 3.799 3.351 1.00 1.67 H new ATOM 0 HD3 LYS A 6 -22.550 3.448 4.704 1.00 1.67 H new ATOM 0 HE2 LYS A 6 -23.963 2.022 3.396 1.00 2.76 H new ATOM 0 HE3 LYS A 6 -23.394 2.690 1.880 1.00 2.76 H new ATOM 0 HZ1 LYS A 6 -22.399 0.524 2.311 1.00 4.08 H new ATOM 0 HZ2 LYS A 6 -21.199 1.725 2.310 1.00 4.08 H new ATOM 0 HZ3 LYS A 6 -21.750 1.077 3.779 1.00 4.08 H new ATOM 92 N CYS A 7 -21.187 7.494 1.323 1.00 0.72 N ATOM 93 CA CYS A 7 -19.987 7.214 0.485 1.00 0.62 C ATOM 94 C CYS A 7 -18.731 7.288 1.355 1.00 0.39 C ATOM 95 O CYS A 7 -18.611 8.136 2.217 1.00 0.32 O ATOM 96 CB CYS A 7 -19.895 8.249 -0.637 1.00 0.71 C ATOM 97 SG CYS A 7 -20.543 7.538 -2.170 1.00 0.84 S ATOM 0 H CYS A 7 -21.846 8.165 0.927 1.00 0.72 H new ATOM 0 HA CYS A 7 -20.070 6.217 0.051 1.00 0.62 H new ATOM 0 HB2 CYS A 7 -20.461 9.141 -0.370 1.00 0.71 H new ATOM 0 HB3 CYS A 7 -18.859 8.558 -0.777 1.00 0.71 H new ATOM 102 N ASP A 8 -17.792 6.409 1.135 1.00 0.43 N ATOM 103 CA ASP A 8 -16.545 6.430 1.949 1.00 0.33 C ATOM 104 C ASP A 8 -15.553 7.422 1.338 1.00 0.29 C ATOM 105 O ASP A 8 -15.246 7.365 0.164 1.00 0.38 O ATOM 106 CB ASP A 8 -15.923 5.032 1.965 1.00 0.51 C ATOM 107 CG ASP A 8 -14.760 5.002 2.959 1.00 0.87 C ATOM 108 OD1 ASP A 8 -13.805 5.730 2.745 1.00 2.05 O ATOM 109 OD2 ASP A 8 -14.845 4.250 3.917 1.00 0.83 O ATOM 0 H ASP A 8 -17.835 5.677 0.426 1.00 0.43 H new ATOM 0 HA ASP A 8 -16.782 6.735 2.968 1.00 0.33 H new ATOM 0 HB2 ASP A 8 -16.673 4.292 2.244 1.00 0.51 H new ATOM 0 HB3 ASP A 8 -15.570 4.768 0.968 1.00 0.51 H new ATOM 114 N ILE A 9 -15.047 8.331 2.127 1.00 0.23 N ATOM 115 CA ILE A 9 -14.074 9.324 1.591 1.00 0.25 C ATOM 116 C ILE A 9 -12.659 8.752 1.687 1.00 0.23 C ATOM 117 O ILE A 9 -11.791 9.083 0.904 1.00 0.28 O ATOM 118 CB ILE A 9 -14.160 10.614 2.409 1.00 0.28 C ATOM 119 CG1 ILE A 9 -13.134 11.620 1.881 1.00 0.39 C ATOM 120 CG2 ILE A 9 -13.863 10.308 3.878 1.00 0.22 C ATOM 121 CD1 ILE A 9 -13.749 13.021 1.876 1.00 0.32 C ATOM 0 H ILE A 9 -15.265 8.428 3.119 1.00 0.23 H new ATOM 0 HA ILE A 9 -14.309 9.539 0.549 1.00 0.25 H new ATOM 0 HB ILE A 9 -15.162 11.034 2.321 1.00 0.28 H new ATOM 0 HG12 ILE A 9 -12.240 11.606 2.505 1.00 0.39 H new ATOM 0 HG13 ILE A 9 -12.823 11.344 0.873 1.00 0.39 H new ATOM 0 HG21 ILE A 9 -13.924 11.227 4.461 1.00 0.22 H new ATOM 0 HG22 ILE A 9 -14.592 9.590 4.255 1.00 0.22 H new ATOM 0 HG23 ILE A 9 -12.861 9.888 3.967 1.00 0.22 H new ATOM 0 HD11 ILE A 9 -13.019 13.738 1.500 1.00 0.32 H new ATOM 0 HD12 ILE A 9 -14.630 13.030 1.234 1.00 0.32 H new ATOM 0 HD13 ILE A 9 -14.037 13.295 2.891 1.00 0.32 H new ATOM 133 N THR A 10 -12.419 7.894 2.640 1.00 0.21 N ATOM 134 CA THR A 10 -11.061 7.301 2.785 1.00 0.19 C ATOM 135 C THR A 10 -10.650 6.641 1.466 1.00 0.18 C ATOM 136 O THR A 10 -9.509 6.706 1.057 1.00 0.31 O ATOM 137 CB THR A 10 -11.079 6.249 3.897 1.00 0.17 C ATOM 138 OG1 THR A 10 -11.881 6.715 4.974 1.00 0.17 O ATOM 139 CG2 THR A 10 -9.654 5.999 4.391 1.00 0.19 C ATOM 0 H THR A 10 -13.106 7.578 3.325 1.00 0.21 H new ATOM 0 HA THR A 10 -10.347 8.085 3.038 1.00 0.19 H new ATOM 0 HB THR A 10 -11.494 5.318 3.510 1.00 0.17 H new ATOM 0 HG1 THR A 10 -11.895 6.042 5.686 1.00 0.17 H new ATOM 0 HG21 THR A 10 -9.670 5.250 5.183 1.00 0.19 H new ATOM 0 HG22 THR A 10 -9.040 5.641 3.565 1.00 0.19 H new ATOM 0 HG23 THR A 10 -9.235 6.928 4.779 1.00 0.19 H new ATOM 147 N LEU A 11 -11.575 6.008 0.797 1.00 0.29 N ATOM 148 CA LEU A 11 -11.238 5.346 -0.494 1.00 0.32 C ATOM 149 C LEU A 11 -10.803 6.404 -1.510 1.00 0.35 C ATOM 150 O LEU A 11 -10.087 6.119 -2.449 1.00 0.36 O ATOM 151 CB LEU A 11 -12.470 4.608 -1.023 1.00 0.50 C ATOM 152 CG LEU A 11 -13.020 3.684 0.067 1.00 0.61 C ATOM 153 CD1 LEU A 11 -14.274 2.976 -0.447 1.00 0.75 C ATOM 154 CD2 LEU A 11 -11.962 2.640 0.437 1.00 0.52 C ATOM 0 H LEU A 11 -12.548 5.921 1.089 1.00 0.29 H new ATOM 0 HA LEU A 11 -10.426 4.635 -0.339 1.00 0.32 H new ATOM 0 HB2 LEU A 11 -13.233 5.324 -1.327 1.00 0.50 H new ATOM 0 HB3 LEU A 11 -12.207 4.028 -1.908 1.00 0.50 H new ATOM 0 HG LEU A 11 -13.271 4.275 0.948 1.00 0.61 H new ATOM 0 HD11 LEU A 11 -14.665 2.318 0.330 1.00 0.75 H new ATOM 0 HD12 LEU A 11 -15.029 3.717 -0.709 1.00 0.75 H new ATOM 0 HD13 LEU A 11 -14.023 2.387 -1.329 1.00 0.75 H new ATOM 0 HD21 LEU A 11 -12.355 1.983 1.213 1.00 0.52 H new ATOM 0 HD22 LEU A 11 -11.709 2.050 -0.444 1.00 0.52 H new ATOM 0 HD23 LEU A 11 -11.068 3.143 0.806 1.00 0.52 H new ATOM 166 N GLN A 12 -11.232 7.624 -1.331 1.00 0.39 N ATOM 167 CA GLN A 12 -10.843 8.698 -2.288 1.00 0.49 C ATOM 168 C GLN A 12 -9.410 9.149 -1.995 1.00 0.45 C ATOM 169 O GLN A 12 -8.523 8.999 -2.813 1.00 0.49 O ATOM 170 CB GLN A 12 -11.794 9.887 -2.132 1.00 0.59 C ATOM 171 CG GLN A 12 -11.537 10.897 -3.253 1.00 0.88 C ATOM 172 CD GLN A 12 -12.745 10.938 -4.190 1.00 1.09 C ATOM 173 OE1 GLN A 12 -12.896 10.086 -5.043 1.00 2.53 O ATOM 174 NE2 GLN A 12 -13.618 11.900 -4.066 1.00 0.90 N ATOM 0 H GLN A 12 -11.834 7.923 -0.564 1.00 0.39 H new ATOM 0 HA GLN A 12 -10.902 8.316 -3.307 1.00 0.49 H new ATOM 0 HB2 GLN A 12 -12.829 9.546 -2.166 1.00 0.59 H new ATOM 0 HB3 GLN A 12 -11.646 10.360 -1.161 1.00 0.59 H new ATOM 0 HG2 GLN A 12 -11.357 11.886 -2.832 1.00 0.88 H new ATOM 0 HG3 GLN A 12 -10.641 10.619 -3.809 1.00 0.88 H new ATOM 0 HE21 GLN A 12 -13.491 12.615 -3.350 1.00 0.90 H new ATOM 0 HE22 GLN A 12 -14.428 11.937 -4.685 1.00 0.90 H new ATOM 183 N GLU A 13 -9.176 9.701 -0.837 1.00 0.41 N ATOM 184 CA GLU A 13 -7.800 10.160 -0.495 1.00 0.48 C ATOM 185 C GLU A 13 -6.822 8.992 -0.636 1.00 0.43 C ATOM 186 O GLU A 13 -5.666 9.174 -0.964 1.00 0.45 O ATOM 187 CB GLU A 13 -7.777 10.677 0.945 1.00 0.47 C ATOM 188 CG GLU A 13 -7.718 9.494 1.913 1.00 0.40 C ATOM 189 CD GLU A 13 -8.174 9.947 3.301 1.00 0.98 C ATOM 190 OE1 GLU A 13 -9.247 10.521 3.393 1.00 2.18 O ATOM 191 OE2 GLU A 13 -7.443 9.713 4.249 1.00 1.21 O ATOM 0 H GLU A 13 -9.878 9.854 -0.113 1.00 0.41 H new ATOM 0 HA GLU A 13 -7.506 10.962 -1.172 1.00 0.48 H new ATOM 0 HB2 GLU A 13 -6.915 11.326 1.095 1.00 0.47 H new ATOM 0 HB3 GLU A 13 -8.666 11.277 1.141 1.00 0.47 H new ATOM 0 HG2 GLU A 13 -8.355 8.685 1.555 1.00 0.40 H new ATOM 0 HG3 GLU A 13 -6.702 9.101 1.962 1.00 0.40 H new ATOM 198 N ILE A 14 -7.275 7.794 -0.390 1.00 0.38 N ATOM 199 CA ILE A 14 -6.369 6.616 -0.510 1.00 0.37 C ATOM 200 C ILE A 14 -5.936 6.454 -1.969 1.00 0.41 C ATOM 201 O ILE A 14 -4.762 6.376 -2.273 1.00 0.54 O ATOM 202 CB ILE A 14 -7.107 5.355 -0.054 1.00 0.22 C ATOM 203 CG1 ILE A 14 -7.039 5.251 1.472 1.00 0.32 C ATOM 204 CG2 ILE A 14 -6.447 4.124 -0.678 1.00 0.18 C ATOM 205 CD1 ILE A 14 -8.019 4.181 1.955 1.00 0.24 C ATOM 0 H ILE A 14 -8.232 7.579 -0.111 1.00 0.38 H new ATOM 0 HA ILE A 14 -5.490 6.768 0.116 1.00 0.37 H new ATOM 0 HB ILE A 14 -8.149 5.408 -0.370 1.00 0.22 H new ATOM 0 HG12 ILE A 14 -6.026 4.999 1.785 1.00 0.32 H new ATOM 0 HG13 ILE A 14 -7.282 6.213 1.924 1.00 0.32 H new ATOM 0 HG21 ILE A 14 -6.972 3.226 -0.353 1.00 0.18 H new ATOM 0 HG22 ILE A 14 -6.492 4.198 -1.765 1.00 0.18 H new ATOM 0 HG23 ILE A 14 -5.405 4.070 -0.361 1.00 0.18 H new ATOM 0 HD11 ILE A 14 -7.971 4.107 3.041 1.00 0.24 H new ATOM 0 HD12 ILE A 14 -9.031 4.452 1.655 1.00 0.24 H new ATOM 0 HD13 ILE A 14 -7.755 3.220 1.514 1.00 0.24 H new ATOM 217 N ILE A 15 -6.875 6.402 -2.873 1.00 0.38 N ATOM 218 CA ILE A 15 -6.517 6.245 -4.311 1.00 0.46 C ATOM 219 C ILE A 15 -5.687 7.447 -4.765 1.00 0.49 C ATOM 220 O ILE A 15 -4.707 7.307 -5.469 1.00 0.49 O ATOM 221 CB ILE A 15 -7.794 6.161 -5.148 1.00 0.47 C ATOM 222 CG1 ILE A 15 -8.539 4.867 -4.811 1.00 0.47 C ATOM 223 CG2 ILE A 15 -7.433 6.168 -6.635 1.00 0.54 C ATOM 224 CD1 ILE A 15 -9.971 4.948 -5.342 1.00 0.47 C ATOM 0 H ILE A 15 -7.874 6.461 -2.678 1.00 0.38 H new ATOM 0 HA ILE A 15 -5.936 5.332 -4.443 1.00 0.46 H new ATOM 0 HB ILE A 15 -8.431 7.017 -4.925 1.00 0.47 H new ATOM 0 HG12 ILE A 15 -8.024 4.013 -5.252 1.00 0.47 H new ATOM 0 HG13 ILE A 15 -8.548 4.711 -3.732 1.00 0.47 H new ATOM 0 HG21 ILE A 15 -8.344 6.108 -7.231 1.00 0.54 H new ATOM 0 HG22 ILE A 15 -6.902 7.089 -6.876 1.00 0.54 H new ATOM 0 HG23 ILE A 15 -6.796 5.312 -6.859 1.00 0.54 H new ATOM 0 HD11 ILE A 15 -10.501 4.026 -5.102 1.00 0.47 H new ATOM 0 HD12 ILE A 15 -10.483 5.792 -4.880 1.00 0.47 H new ATOM 0 HD13 ILE A 15 -9.951 5.084 -6.423 1.00 0.47 H new ATOM 236 N LYS A 16 -6.071 8.630 -4.369 1.00 0.53 N ATOM 237 CA LYS A 16 -5.302 9.838 -4.779 1.00 0.58 C ATOM 238 C LYS A 16 -3.825 9.640 -4.436 1.00 0.48 C ATOM 239 O LYS A 16 -2.947 10.034 -5.177 1.00 0.49 O ATOM 240 CB LYS A 16 -5.840 11.063 -4.034 1.00 0.75 C ATOM 241 CG LYS A 16 -6.470 12.033 -5.036 1.00 0.81 C ATOM 242 CD LYS A 16 -7.093 13.210 -4.283 1.00 1.19 C ATOM 243 CE LYS A 16 -8.616 13.146 -4.405 1.00 0.40 C ATOM 244 NZ LYS A 16 -9.222 14.307 -3.694 1.00 1.46 N ATOM 0 H LYS A 16 -6.884 8.812 -3.780 1.00 0.53 H new ATOM 0 HA LYS A 16 -5.409 9.991 -5.853 1.00 0.58 H new ATOM 0 HB2 LYS A 16 -6.579 10.756 -3.294 1.00 0.75 H new ATOM 0 HB3 LYS A 16 -5.033 11.556 -3.492 1.00 0.75 H new ATOM 0 HG2 LYS A 16 -5.714 12.393 -5.734 1.00 0.81 H new ATOM 0 HG3 LYS A 16 -7.231 11.521 -5.625 1.00 0.81 H new ATOM 0 HD2 LYS A 16 -6.800 13.180 -3.233 1.00 1.19 H new ATOM 0 HD3 LYS A 16 -6.724 14.152 -4.690 1.00 1.19 H new ATOM 0 HE2 LYS A 16 -8.908 13.157 -5.455 1.00 0.40 H new ATOM 0 HE3 LYS A 16 -8.986 12.213 -3.981 1.00 0.40 H new ATOM 0 HZ1 LYS A 16 -10.258 14.263 -3.777 1.00 1.46 H new ATOM 0 HZ2 LYS A 16 -8.954 14.277 -2.690 1.00 1.46 H new ATOM 0 HZ3 LYS A 16 -8.878 15.192 -4.118 1.00 1.46 H new ATOM 258 N THR A 17 -3.543 9.031 -3.317 1.00 0.49 N ATOM 259 CA THR A 17 -2.123 8.807 -2.927 1.00 0.50 C ATOM 260 C THR A 17 -1.491 7.781 -3.871 1.00 0.37 C ATOM 261 O THR A 17 -0.394 7.965 -4.358 1.00 0.38 O ATOM 262 CB THR A 17 -2.064 8.281 -1.490 1.00 0.62 C ATOM 263 OG1 THR A 17 -2.178 9.370 -0.585 1.00 1.32 O ATOM 264 CG2 THR A 17 -0.735 7.561 -1.262 1.00 1.05 C ATOM 0 H THR A 17 -4.235 8.679 -2.656 1.00 0.49 H new ATOM 0 HA THR A 17 -1.576 9.748 -2.992 1.00 0.50 H new ATOM 0 HB THR A 17 -2.884 7.583 -1.324 1.00 0.62 H new ATOM 0 HG1 THR A 17 -2.142 9.036 0.335 1.00 1.32 H new ATOM 0 HG21 THR A 17 -0.695 7.187 -0.239 1.00 1.05 H new ATOM 0 HG22 THR A 17 -0.650 6.726 -1.957 1.00 1.05 H new ATOM 0 HG23 THR A 17 0.088 8.256 -1.427 1.00 1.05 H new ATOM 272 N LEU A 18 -2.176 6.702 -4.133 1.00 0.29 N ATOM 273 CA LEU A 18 -1.614 5.667 -5.045 1.00 0.19 C ATOM 274 C LEU A 18 -1.076 6.341 -6.309 1.00 0.21 C ATOM 275 O LEU A 18 0.013 6.053 -6.762 1.00 0.22 O ATOM 276 CB LEU A 18 -2.715 4.672 -5.427 1.00 0.14 C ATOM 277 CG LEU A 18 -2.825 3.583 -4.353 1.00 0.61 C ATOM 278 CD1 LEU A 18 -4.084 2.750 -4.603 1.00 0.33 C ATOM 279 CD2 LEU A 18 -1.596 2.665 -4.397 1.00 1.30 C ATOM 0 H LEU A 18 -3.100 6.493 -3.755 1.00 0.29 H new ATOM 0 HA LEU A 18 -0.805 5.138 -4.541 1.00 0.19 H new ATOM 0 HB2 LEU A 18 -3.668 5.191 -5.530 1.00 0.14 H new ATOM 0 HB3 LEU A 18 -2.491 4.221 -6.394 1.00 0.14 H new ATOM 0 HG LEU A 18 -2.880 4.058 -3.373 1.00 0.61 H new ATOM 0 HD11 LEU A 18 -4.165 1.975 -3.841 1.00 0.33 H new ATOM 0 HD12 LEU A 18 -4.962 3.395 -4.559 1.00 0.33 H new ATOM 0 HD13 LEU A 18 -4.024 2.286 -5.587 1.00 0.33 H new ATOM 0 HD21 LEU A 18 -1.688 1.897 -3.629 1.00 1.30 H new ATOM 0 HD22 LEU A 18 -1.530 2.192 -5.377 1.00 1.30 H new ATOM 0 HD23 LEU A 18 -0.696 3.253 -4.216 1.00 1.30 H new ATOM 291 N ASN A 19 -1.832 7.238 -6.881 1.00 0.25 N ATOM 292 CA ASN A 19 -1.362 7.931 -8.115 1.00 0.31 C ATOM 293 C ASN A 19 -0.100 8.735 -7.798 1.00 0.33 C ATOM 294 O ASN A 19 0.892 8.650 -8.495 1.00 0.42 O ATOM 295 CB ASN A 19 -2.457 8.876 -8.615 1.00 0.35 C ATOM 296 CG ASN A 19 -3.547 8.067 -9.319 1.00 0.42 C ATOM 297 OD1 ASN A 19 -3.536 6.852 -9.288 1.00 0.98 O ATOM 298 ND2 ASN A 19 -4.497 8.693 -9.960 1.00 1.11 N ATOM 0 H ASN A 19 -2.754 7.521 -6.548 1.00 0.25 H new ATOM 0 HA ASN A 19 -1.138 7.193 -8.885 1.00 0.31 H new ATOM 0 HB2 ASN A 19 -2.883 9.430 -7.779 1.00 0.35 H new ATOM 0 HB3 ASN A 19 -2.034 9.610 -9.301 1.00 0.35 H new ATOM 0 HD21 ASN A 19 -5.228 8.162 -10.434 1.00 1.11 H new ATOM 0 HD22 ASN A 19 -4.508 9.713 -9.987 1.00 1.11 H new ATOM 305 N SER A 20 -0.127 9.513 -6.752 1.00 0.26 N ATOM 306 CA SER A 20 1.073 10.321 -6.394 1.00 0.28 C ATOM 307 C SER A 20 2.317 9.432 -6.433 1.00 0.26 C ATOM 308 O SER A 20 3.409 9.888 -6.711 1.00 0.42 O ATOM 309 CB SER A 20 0.900 10.893 -4.986 1.00 0.34 C ATOM 310 OG SER A 20 -0.081 11.922 -5.014 1.00 0.42 O ATOM 0 H SER A 20 -0.927 9.625 -6.130 1.00 0.26 H new ATOM 0 HA SER A 20 1.187 11.137 -7.107 1.00 0.28 H new ATOM 0 HB2 SER A 20 0.598 10.105 -4.296 1.00 0.34 H new ATOM 0 HB3 SER A 20 1.848 11.289 -4.623 1.00 0.34 H new ATOM 0 HG SER A 20 -0.195 12.289 -4.113 1.00 0.42 H new ATOM 316 N LEU A 21 2.163 8.165 -6.158 1.00 0.36 N ATOM 317 CA LEU A 21 3.339 7.249 -6.182 1.00 0.46 C ATOM 318 C LEU A 21 3.642 6.846 -7.626 1.00 0.47 C ATOM 319 O LEU A 21 4.774 6.885 -8.066 1.00 0.56 O ATOM 320 CB LEU A 21 3.028 5.998 -5.357 1.00 0.51 C ATOM 321 CG LEU A 21 2.618 6.403 -3.938 1.00 0.51 C ATOM 322 CD1 LEU A 21 2.292 5.149 -3.123 1.00 0.54 C ATOM 323 CD2 LEU A 21 3.766 7.160 -3.265 1.00 0.81 C ATOM 0 H LEU A 21 1.275 7.725 -5.918 1.00 0.36 H new ATOM 0 HA LEU A 21 4.205 7.758 -5.758 1.00 0.46 H new ATOM 0 HB2 LEU A 21 2.227 5.430 -5.829 1.00 0.51 H new ATOM 0 HB3 LEU A 21 3.902 5.348 -5.322 1.00 0.51 H new ATOM 0 HG LEU A 21 1.740 7.046 -3.988 1.00 0.51 H new ATOM 0 HD11 LEU A 21 2.000 5.437 -2.113 1.00 0.54 H new ATOM 0 HD12 LEU A 21 1.472 4.610 -3.598 1.00 0.54 H new ATOM 0 HD13 LEU A 21 3.171 4.506 -3.077 1.00 0.54 H new ATOM 0 HD21 LEU A 21 3.471 7.447 -2.256 1.00 0.81 H new ATOM 0 HD22 LEU A 21 4.646 6.519 -3.217 1.00 0.81 H new ATOM 0 HD23 LEU A 21 4.000 8.055 -3.842 1.00 0.81 H new ATOM 335 N THR A 22 2.640 6.458 -8.367 1.00 0.39 N ATOM 336 CA THR A 22 2.876 6.053 -9.782 1.00 0.43 C ATOM 337 C THR A 22 3.731 7.112 -10.480 1.00 0.43 C ATOM 338 O THR A 22 4.462 6.820 -11.405 1.00 0.66 O ATOM 339 CB THR A 22 1.533 5.922 -10.505 1.00 0.41 C ATOM 340 OG1 THR A 22 0.756 7.088 -10.273 1.00 0.21 O ATOM 341 CG2 THR A 22 0.786 4.694 -9.980 1.00 0.51 C ATOM 0 H THR A 22 1.670 6.404 -8.055 1.00 0.39 H new ATOM 0 HA THR A 22 3.396 5.095 -9.805 1.00 0.43 H new ATOM 0 HB THR A 22 1.706 5.808 -11.575 1.00 0.41 H new ATOM 0 HG1 THR A 22 1.206 7.654 -9.612 1.00 0.21 H new ATOM 0 HG21 THR A 22 -0.170 4.602 -10.495 1.00 0.51 H new ATOM 0 HG22 THR A 22 1.383 3.800 -10.160 1.00 0.51 H new ATOM 0 HG23 THR A 22 0.612 4.804 -8.910 1.00 0.51 H new ATOM 349 N GLU A 23 3.646 8.338 -10.043 1.00 0.28 N ATOM 350 CA GLU A 23 4.455 9.414 -10.683 1.00 0.30 C ATOM 351 C GLU A 23 5.913 9.285 -10.241 1.00 0.31 C ATOM 352 O GLU A 23 6.827 9.511 -11.009 1.00 0.39 O ATOM 353 CB GLU A 23 3.912 10.781 -10.261 1.00 0.33 C ATOM 354 CG GLU A 23 2.411 10.848 -10.553 1.00 0.24 C ATOM 355 CD GLU A 23 2.129 12.006 -11.510 1.00 0.53 C ATOM 356 OE1 GLU A 23 2.001 13.123 -11.036 1.00 0.62 O ATOM 357 OE2 GLU A 23 2.045 11.758 -12.702 1.00 1.76 O ATOM 0 H GLU A 23 3.052 8.641 -9.271 1.00 0.28 H new ATOM 0 HA GLU A 23 4.394 9.319 -11.767 1.00 0.30 H new ATOM 0 HB2 GLU A 23 4.094 10.944 -9.199 1.00 0.33 H new ATOM 0 HB3 GLU A 23 4.433 11.573 -10.799 1.00 0.33 H new ATOM 0 HG2 GLU A 23 2.073 9.909 -10.992 1.00 0.24 H new ATOM 0 HG3 GLU A 23 1.855 10.985 -9.626 1.00 0.24 H new ATOM 364 N GLN A 24 6.135 8.922 -9.009 1.00 0.27 N ATOM 365 CA GLN A 24 7.533 8.776 -8.511 1.00 0.28 C ATOM 366 C GLN A 24 7.964 7.313 -8.626 1.00 0.17 C ATOM 367 O GLN A 24 7.213 6.409 -8.322 1.00 0.29 O ATOM 368 CB GLN A 24 7.600 9.213 -7.046 1.00 0.37 C ATOM 369 CG GLN A 24 8.797 10.144 -6.844 1.00 1.52 C ATOM 370 CD GLN A 24 8.521 11.486 -7.523 1.00 1.82 C ATOM 371 OE1 GLN A 24 7.901 12.356 -6.944 1.00 1.85 O ATOM 372 NE2 GLN A 24 8.957 11.694 -8.735 1.00 2.83 N ATOM 0 H GLN A 24 5.408 8.719 -8.323 1.00 0.27 H new ATOM 0 HA GLN A 24 8.199 9.400 -9.108 1.00 0.28 H new ATOM 0 HB2 GLN A 24 6.678 9.723 -6.765 1.00 0.37 H new ATOM 0 HB3 GLN A 24 7.692 8.340 -6.399 1.00 0.37 H new ATOM 0 HG2 GLN A 24 8.979 10.294 -5.780 1.00 1.52 H new ATOM 0 HG3 GLN A 24 9.697 9.692 -7.261 1.00 1.52 H new ATOM 0 HE21 GLN A 24 9.478 10.964 -9.222 1.00 2.83 H new ATOM 0 HE22 GLN A 24 8.777 12.586 -9.196 1.00 2.83 H new ATOM 381 N LYS A 25 9.171 7.073 -9.065 1.00 0.32 N ATOM 382 CA LYS A 25 9.651 5.668 -9.201 1.00 0.41 C ATOM 383 C LYS A 25 11.146 5.605 -8.884 1.00 0.44 C ATOM 384 O LYS A 25 11.981 5.842 -9.734 1.00 0.88 O ATOM 385 CB LYS A 25 9.414 5.184 -10.633 1.00 0.73 C ATOM 386 CG LYS A 25 8.039 5.655 -11.113 1.00 0.31 C ATOM 387 CD LYS A 25 7.750 5.065 -12.495 1.00 0.69 C ATOM 388 CE LYS A 25 7.468 6.198 -13.483 1.00 0.39 C ATOM 389 NZ LYS A 25 6.245 6.936 -13.057 1.00 1.61 N ATOM 0 H LYS A 25 9.845 7.790 -9.335 1.00 0.32 H new ATOM 0 HA LYS A 25 9.105 5.030 -8.506 1.00 0.41 H new ATOM 0 HB2 LYS A 25 10.192 5.570 -11.292 1.00 0.73 H new ATOM 0 HB3 LYS A 25 9.472 4.096 -10.674 1.00 0.73 H new ATOM 0 HG2 LYS A 25 7.270 5.345 -10.406 1.00 0.31 H new ATOM 0 HG3 LYS A 25 8.011 6.744 -11.158 1.00 0.31 H new ATOM 0 HD2 LYS A 25 8.601 4.474 -12.835 1.00 0.69 H new ATOM 0 HD3 LYS A 25 6.894 4.392 -12.443 1.00 0.69 H new ATOM 0 HE2 LYS A 25 8.319 6.878 -13.526 1.00 0.39 H new ATOM 0 HE3 LYS A 25 7.331 5.794 -14.486 1.00 0.39 H new ATOM 0 HZ1 LYS A 25 5.651 7.132 -13.888 1.00 1.61 H new ATOM 0 HZ2 LYS A 25 5.710 6.358 -12.378 1.00 1.61 H new ATOM 0 HZ3 LYS A 25 6.520 7.833 -12.608 1.00 1.61 H new ATOM 403 N THR A 26 11.492 5.288 -7.667 1.00 0.18 N ATOM 404 CA THR A 26 12.933 5.208 -7.297 1.00 0.11 C ATOM 405 C THR A 26 13.441 3.786 -7.542 1.00 0.12 C ATOM 406 O THR A 26 12.767 2.972 -8.139 1.00 0.16 O ATOM 407 CB THR A 26 13.102 5.565 -5.818 1.00 0.24 C ATOM 408 OG1 THR A 26 12.884 4.405 -5.027 1.00 0.46 O ATOM 409 CG2 THR A 26 12.090 6.645 -5.432 1.00 0.30 C ATOM 0 H THR A 26 10.838 5.081 -6.912 1.00 0.18 H new ATOM 0 HA THR A 26 13.505 5.909 -7.905 1.00 0.11 H new ATOM 0 HB THR A 26 14.111 5.940 -5.647 1.00 0.24 H new ATOM 0 HG1 THR A 26 12.449 4.659 -4.187 1.00 0.46 H new ATOM 0 HG21 THR A 26 12.212 6.898 -4.379 1.00 0.30 H new ATOM 0 HG22 THR A 26 12.257 7.534 -6.040 1.00 0.30 H new ATOM 0 HG23 THR A 26 11.079 6.274 -5.602 1.00 0.30 H new ATOM 417 N LEU A 27 14.625 3.479 -7.084 1.00 0.16 N ATOM 418 CA LEU A 27 15.169 2.108 -7.294 1.00 0.20 C ATOM 419 C LEU A 27 14.525 1.146 -6.291 1.00 0.24 C ATOM 420 O LEU A 27 14.674 -0.056 -6.386 1.00 0.27 O ATOM 421 CB LEU A 27 16.687 2.122 -7.093 1.00 0.26 C ATOM 422 CG LEU A 27 17.016 2.414 -5.628 1.00 0.26 C ATOM 423 CD1 LEU A 27 17.432 1.116 -4.930 1.00 0.42 C ATOM 424 CD2 LEU A 27 18.167 3.419 -5.558 1.00 0.23 C ATOM 0 H LEU A 27 15.237 4.117 -6.575 1.00 0.16 H new ATOM 0 HA LEU A 27 14.944 1.778 -8.308 1.00 0.20 H new ATOM 0 HB2 LEU A 27 17.110 1.161 -7.385 1.00 0.26 H new ATOM 0 HB3 LEU A 27 17.140 2.878 -7.734 1.00 0.26 H new ATOM 0 HG LEU A 27 16.138 2.828 -5.133 1.00 0.26 H new ATOM 0 HD11 LEU A 27 17.667 1.323 -3.886 1.00 0.42 H new ATOM 0 HD12 LEU A 27 16.615 0.397 -4.982 1.00 0.42 H new ATOM 0 HD13 LEU A 27 18.311 0.703 -5.424 1.00 0.42 H new ATOM 0 HD21 LEU A 27 18.404 3.629 -4.515 1.00 0.23 H new ATOM 0 HD22 LEU A 27 19.044 3.002 -6.052 1.00 0.23 H new ATOM 0 HD23 LEU A 27 17.874 4.343 -6.057 1.00 0.23 H new ATOM 436 N CYS A 28 13.811 1.667 -5.332 1.00 0.25 N ATOM 437 CA CYS A 28 13.158 0.784 -4.325 1.00 0.29 C ATOM 438 C CYS A 28 12.155 -0.133 -5.027 1.00 0.38 C ATOM 439 O CYS A 28 11.502 -0.948 -4.407 1.00 0.37 O ATOM 440 CB CYS A 28 12.426 1.644 -3.291 1.00 0.33 C ATOM 441 SG CYS A 28 12.894 1.118 -1.623 1.00 0.23 S ATOM 0 H CYS A 28 13.651 2.666 -5.202 1.00 0.25 H new ATOM 0 HA CYS A 28 13.915 0.180 -3.825 1.00 0.29 H new ATOM 0 HB2 CYS A 28 12.676 2.695 -3.435 1.00 0.33 H new ATOM 0 HB3 CYS A 28 11.348 1.551 -3.423 1.00 0.33 H new ATOM 446 N THR A 29 12.026 -0.005 -6.320 1.00 0.48 N ATOM 447 CA THR A 29 11.065 -0.869 -7.062 1.00 0.58 C ATOM 448 C THR A 29 11.734 -2.202 -7.400 1.00 0.59 C ATOM 449 O THR A 29 11.093 -3.234 -7.451 1.00 0.68 O ATOM 450 CB THR A 29 10.641 -0.168 -8.354 1.00 0.69 C ATOM 451 OG1 THR A 29 11.797 0.160 -9.114 1.00 0.59 O ATOM 452 CG2 THR A 29 9.870 1.109 -8.016 1.00 0.72 C ATOM 0 H THR A 29 12.544 0.660 -6.894 1.00 0.48 H new ATOM 0 HA THR A 29 10.187 -1.050 -6.443 1.00 0.58 H new ATOM 0 HB THR A 29 10.000 -0.832 -8.934 1.00 0.69 H new ATOM 0 HG1 THR A 29 12.113 1.052 -8.860 1.00 0.59 H new ATOM 0 HG21 THR A 29 9.569 1.607 -8.938 1.00 0.72 H new ATOM 0 HG22 THR A 29 8.984 0.856 -7.434 1.00 0.72 H new ATOM 0 HG23 THR A 29 10.507 1.776 -7.435 1.00 0.72 H new ATOM 460 N GLU A 30 13.017 -2.191 -7.633 1.00 0.55 N ATOM 461 CA GLU A 30 13.726 -3.458 -7.968 1.00 0.58 C ATOM 462 C GLU A 30 13.615 -4.429 -6.791 1.00 0.53 C ATOM 463 O GLU A 30 14.130 -5.530 -6.833 1.00 0.67 O ATOM 464 CB GLU A 30 15.201 -3.160 -8.246 1.00 0.55 C ATOM 465 CG GLU A 30 15.312 -1.939 -9.163 1.00 0.67 C ATOM 466 CD GLU A 30 16.319 -2.225 -10.276 1.00 1.03 C ATOM 467 OE1 GLU A 30 17.477 -2.448 -9.959 1.00 2.00 O ATOM 468 OE2 GLU A 30 15.918 -2.217 -11.428 1.00 1.27 O ATOM 0 H GLU A 30 13.606 -1.359 -7.606 1.00 0.55 H new ATOM 0 HA GLU A 30 13.273 -3.905 -8.853 1.00 0.58 H new ATOM 0 HB2 GLU A 30 15.728 -2.974 -7.310 1.00 0.55 H new ATOM 0 HB3 GLU A 30 15.675 -4.023 -8.713 1.00 0.55 H new ATOM 0 HG2 GLU A 30 14.338 -1.704 -9.592 1.00 0.67 H new ATOM 0 HG3 GLU A 30 15.627 -1.068 -8.589 1.00 0.67 H new ATOM 475 N LEU A 31 12.949 -4.033 -5.742 1.00 0.41 N ATOM 476 CA LEU A 31 12.807 -4.935 -4.565 1.00 0.35 C ATOM 477 C LEU A 31 11.686 -5.943 -4.828 1.00 0.52 C ATOM 478 O LEU A 31 11.160 -6.031 -5.919 1.00 1.31 O ATOM 479 CB LEU A 31 12.466 -4.105 -3.325 1.00 0.26 C ATOM 480 CG LEU A 31 13.476 -2.967 -3.179 1.00 0.17 C ATOM 481 CD1 LEU A 31 13.142 -2.142 -1.936 1.00 0.34 C ATOM 482 CD2 LEU A 31 14.884 -3.550 -3.039 1.00 0.14 C ATOM 0 H LEU A 31 12.497 -3.123 -5.649 1.00 0.41 H new ATOM 0 HA LEU A 31 13.744 -5.468 -4.400 1.00 0.35 H new ATOM 0 HB2 LEU A 31 11.457 -3.701 -3.411 1.00 0.26 H new ATOM 0 HB3 LEU A 31 12.482 -4.736 -2.436 1.00 0.26 H new ATOM 0 HG LEU A 31 13.431 -2.328 -4.061 1.00 0.17 H new ATOM 0 HD11 LEU A 31 13.863 -1.331 -1.833 1.00 0.34 H new ATOM 0 HD12 LEU A 31 12.139 -1.726 -2.034 1.00 0.34 H new ATOM 0 HD13 LEU A 31 13.185 -2.780 -1.053 1.00 0.34 H new ATOM 0 HD21 LEU A 31 15.605 -2.739 -2.935 1.00 0.14 H new ATOM 0 HD22 LEU A 31 14.927 -4.189 -2.157 1.00 0.14 H new ATOM 0 HD23 LEU A 31 15.124 -4.137 -3.925 1.00 0.14 H new ATOM 494 N THR A 32 11.319 -6.707 -3.835 1.00 0.43 N ATOM 495 CA THR A 32 10.233 -7.710 -4.028 1.00 0.42 C ATOM 496 C THR A 32 9.449 -7.868 -2.724 1.00 0.41 C ATOM 497 O THR A 32 9.938 -8.416 -1.757 1.00 0.44 O ATOM 498 CB THR A 32 10.846 -9.055 -4.421 1.00 0.49 C ATOM 499 OG1 THR A 32 11.938 -9.346 -3.560 1.00 0.54 O ATOM 500 CG2 THR A 32 11.338 -8.991 -5.868 1.00 0.39 C ATOM 0 H THR A 32 11.724 -6.680 -2.899 1.00 0.43 H new ATOM 0 HA THR A 32 9.561 -7.373 -4.817 1.00 0.42 H new ATOM 0 HB THR A 32 10.093 -9.838 -4.330 1.00 0.49 H new ATOM 0 HG1 THR A 32 11.671 -9.191 -2.630 1.00 0.54 H new ATOM 0 HG21 THR A 32 11.775 -9.950 -6.147 1.00 0.39 H new ATOM 0 HG22 THR A 32 10.499 -8.769 -6.528 1.00 0.39 H new ATOM 0 HG23 THR A 32 12.091 -8.209 -5.962 1.00 0.39 H new ATOM 508 N VAL A 33 8.234 -7.392 -2.690 1.00 0.40 N ATOM 509 CA VAL A 33 7.421 -7.515 -1.448 1.00 0.38 C ATOM 510 C VAL A 33 6.669 -8.848 -1.462 1.00 0.33 C ATOM 511 O VAL A 33 6.671 -9.563 -2.444 1.00 0.26 O ATOM 512 CB VAL A 33 6.417 -6.364 -1.377 1.00 0.39 C ATOM 513 CG1 VAL A 33 7.065 -5.087 -1.914 1.00 0.26 C ATOM 514 CG2 VAL A 33 5.190 -6.706 -2.226 1.00 0.52 C ATOM 0 H VAL A 33 7.770 -6.924 -3.468 1.00 0.40 H new ATOM 0 HA VAL A 33 8.078 -7.476 -0.579 1.00 0.38 H new ATOM 0 HB VAL A 33 6.114 -6.210 -0.341 1.00 0.39 H new ATOM 0 HG11 VAL A 33 6.349 -4.267 -1.863 1.00 0.26 H new ATOM 0 HG12 VAL A 33 7.940 -4.842 -1.312 1.00 0.26 H new ATOM 0 HG13 VAL A 33 7.368 -5.241 -2.950 1.00 0.26 H new ATOM 0 HG21 VAL A 33 4.473 -5.886 -2.176 1.00 0.52 H new ATOM 0 HG22 VAL A 33 5.495 -6.859 -3.261 1.00 0.52 H new ATOM 0 HG23 VAL A 33 4.727 -7.616 -1.846 1.00 0.52 H new ATOM 524 N THR A 34 6.025 -9.188 -0.379 1.00 0.37 N ATOM 525 CA THR A 34 5.274 -10.473 -0.331 1.00 0.33 C ATOM 526 C THR A 34 3.894 -10.283 -0.964 1.00 0.33 C ATOM 527 O THR A 34 3.107 -9.467 -0.526 1.00 0.44 O ATOM 528 CB THR A 34 5.110 -10.914 1.126 1.00 0.35 C ATOM 529 OG1 THR A 34 6.390 -11.164 1.689 1.00 0.35 O ATOM 530 CG2 THR A 34 4.266 -12.188 1.184 1.00 0.35 C ATOM 0 H THR A 34 5.987 -8.631 0.475 1.00 0.37 H new ATOM 0 HA THR A 34 5.824 -11.235 -0.882 1.00 0.33 H new ATOM 0 HB THR A 34 4.612 -10.126 1.691 1.00 0.35 H new ATOM 0 HG1 THR A 34 6.288 -11.445 2.622 1.00 0.35 H new ATOM 0 HG21 THR A 34 4.150 -12.501 2.222 1.00 0.35 H new ATOM 0 HG22 THR A 34 3.284 -11.994 0.752 1.00 0.35 H new ATOM 0 HG23 THR A 34 4.761 -12.978 0.620 1.00 0.35 H new ATOM 538 N ASP A 35 3.594 -11.029 -1.992 1.00 0.23 N ATOM 539 CA ASP A 35 2.264 -10.889 -2.649 1.00 0.23 C ATOM 540 C ASP A 35 1.161 -11.242 -1.649 1.00 0.26 C ATOM 541 O ASP A 35 1.425 -11.720 -0.564 1.00 0.67 O ATOM 542 CB ASP A 35 2.188 -11.836 -3.850 1.00 0.28 C ATOM 543 CG ASP A 35 0.955 -11.498 -4.690 1.00 0.29 C ATOM 544 OD1 ASP A 35 0.450 -10.395 -4.550 1.00 1.13 O ATOM 545 OD2 ASP A 35 0.535 -12.347 -5.459 1.00 1.21 O ATOM 0 H ASP A 35 4.211 -11.728 -2.405 1.00 0.23 H new ATOM 0 HA ASP A 35 2.131 -9.861 -2.987 1.00 0.23 H new ATOM 0 HB2 ASP A 35 3.090 -11.745 -4.456 1.00 0.28 H new ATOM 0 HB3 ASP A 35 2.136 -12.870 -3.509 1.00 0.28 H new ATOM 550 N ILE A 36 -0.072 -11.011 -2.006 1.00 0.18 N ATOM 551 CA ILE A 36 -1.191 -11.332 -1.075 1.00 0.09 C ATOM 552 C ILE A 36 -2.416 -11.772 -1.881 1.00 0.08 C ATOM 553 O ILE A 36 -3.167 -12.632 -1.466 1.00 0.09 O ATOM 554 CB ILE A 36 -1.542 -10.092 -0.252 1.00 0.13 C ATOM 555 CG1 ILE A 36 -1.981 -8.966 -1.190 1.00 0.22 C ATOM 556 CG2 ILE A 36 -0.313 -9.642 0.541 1.00 0.21 C ATOM 557 CD1 ILE A 36 -2.130 -7.666 -0.398 1.00 0.38 C ATOM 0 H ILE A 36 -0.354 -10.614 -2.902 1.00 0.18 H new ATOM 0 HA ILE A 36 -0.887 -12.138 -0.407 1.00 0.09 H new ATOM 0 HB ILE A 36 -2.353 -10.330 0.436 1.00 0.13 H new ATOM 0 HG12 ILE A 36 -1.248 -8.836 -1.986 1.00 0.22 H new ATOM 0 HG13 ILE A 36 -2.927 -9.224 -1.666 1.00 0.22 H new ATOM 0 HG21 ILE A 36 -0.562 -8.758 1.128 1.00 0.21 H new ATOM 0 HG22 ILE A 36 0.003 -10.444 1.209 1.00 0.21 H new ATOM 0 HG23 ILE A 36 0.497 -9.403 -0.148 1.00 0.21 H new ATOM 0 HD11 ILE A 36 -2.443 -6.865 -1.068 1.00 0.38 H new ATOM 0 HD12 ILE A 36 -2.879 -7.799 0.382 1.00 0.38 H new ATOM 0 HD13 ILE A 36 -1.174 -7.406 0.057 1.00 0.38 H new ATOM 569 N PHE A 37 -2.622 -11.189 -3.030 1.00 0.16 N ATOM 570 CA PHE A 37 -3.798 -11.573 -3.860 1.00 0.25 C ATOM 571 C PHE A 37 -3.536 -12.930 -4.518 1.00 0.31 C ATOM 572 O PHE A 37 -4.372 -13.461 -5.221 1.00 0.42 O ATOM 573 CB PHE A 37 -4.027 -10.517 -4.942 1.00 0.28 C ATOM 574 CG PHE A 37 -3.930 -9.140 -4.330 1.00 0.26 C ATOM 575 CD1 PHE A 37 -4.925 -8.694 -3.451 1.00 0.45 C ATOM 576 CD2 PHE A 37 -2.848 -8.307 -4.640 1.00 0.22 C ATOM 577 CE1 PHE A 37 -4.837 -7.418 -2.883 1.00 0.56 C ATOM 578 CE2 PHE A 37 -2.761 -7.031 -4.073 1.00 0.32 C ATOM 579 CZ PHE A 37 -3.756 -6.586 -3.194 1.00 0.48 C ATOM 0 H PHE A 37 -2.027 -10.463 -3.430 1.00 0.16 H new ATOM 0 HA PHE A 37 -4.683 -11.640 -3.227 1.00 0.25 H new ATOM 0 HB2 PHE A 37 -3.287 -10.627 -5.735 1.00 0.28 H new ATOM 0 HB3 PHE A 37 -5.007 -10.655 -5.399 1.00 0.28 H new ATOM 0 HD1 PHE A 37 -5.761 -9.335 -3.211 1.00 0.45 H new ATOM 0 HD2 PHE A 37 -2.080 -8.650 -5.317 1.00 0.22 H new ATOM 0 HE1 PHE A 37 -5.604 -7.075 -2.204 1.00 0.56 H new ATOM 0 HE2 PHE A 37 -1.926 -6.389 -4.313 1.00 0.32 H new ATOM 0 HZ PHE A 37 -3.689 -5.601 -2.756 1.00 0.48 H new ATOM 589 N ALA A 38 -2.381 -13.494 -4.296 1.00 0.28 N ATOM 590 CA ALA A 38 -2.067 -14.815 -4.911 1.00 0.36 C ATOM 591 C ALA A 38 -2.451 -15.933 -3.939 1.00 0.28 C ATOM 592 O ALA A 38 -2.050 -17.069 -4.095 1.00 0.24 O ATOM 593 CB ALA A 38 -0.569 -14.894 -5.211 1.00 0.42 C ATOM 0 H ALA A 38 -1.641 -13.098 -3.716 1.00 0.28 H new ATOM 0 HA ALA A 38 -2.630 -14.928 -5.837 1.00 0.36 H new ATOM 0 HB1 ALA A 38 -0.338 -15.860 -5.661 1.00 0.42 H new ATOM 0 HB2 ALA A 38 -0.294 -14.097 -5.902 1.00 0.42 H new ATOM 0 HB3 ALA A 38 -0.006 -14.782 -4.284 1.00 0.42 H new ATOM 599 N ALA A 39 -3.227 -15.621 -2.937 1.00 0.27 N ATOM 600 CA ALA A 39 -3.636 -16.666 -1.958 1.00 0.22 C ATOM 601 C ALA A 39 -4.864 -16.185 -1.182 1.00 0.28 C ATOM 602 O ALA A 39 -4.945 -16.328 0.022 1.00 0.37 O ATOM 603 CB ALA A 39 -2.487 -16.929 -0.983 1.00 0.10 C ATOM 0 H ALA A 39 -3.595 -14.687 -2.755 1.00 0.27 H new ATOM 0 HA ALA A 39 -3.879 -17.586 -2.489 1.00 0.22 H new ATOM 0 HB1 ALA A 39 -2.786 -17.694 -0.266 1.00 0.10 H new ATOM 0 HB2 ALA A 39 -1.612 -17.272 -1.536 1.00 0.10 H new ATOM 0 HB3 ALA A 39 -2.243 -16.009 -0.452 1.00 0.10 H new ATOM 609 N SER A 40 -5.823 -15.617 -1.861 1.00 0.31 N ATOM 610 CA SER A 40 -7.043 -15.128 -1.162 1.00 0.38 C ATOM 611 C SER A 40 -8.110 -16.225 -1.171 1.00 0.53 C ATOM 612 O SER A 40 -8.895 -16.333 -2.093 1.00 0.71 O ATOM 613 CB SER A 40 -7.581 -13.889 -1.879 1.00 0.39 C ATOM 614 OG SER A 40 -8.998 -13.858 -1.765 1.00 1.18 O ATOM 0 H SER A 40 -5.813 -15.471 -2.870 1.00 0.31 H new ATOM 0 HA SER A 40 -6.793 -14.872 -0.133 1.00 0.38 H new ATOM 0 HB2 SER A 40 -7.150 -12.987 -1.444 1.00 0.39 H new ATOM 0 HB3 SER A 40 -7.290 -13.907 -2.929 1.00 0.39 H new ATOM 0 HG SER A 40 -9.382 -14.622 -2.244 1.00 1.18 H new ATOM 620 N LYS A 41 -8.147 -17.039 -0.153 1.00 0.64 N ATOM 621 CA LYS A 41 -9.163 -18.128 -0.104 1.00 0.84 C ATOM 622 C LYS A 41 -10.460 -17.588 0.502 1.00 0.60 C ATOM 623 O LYS A 41 -11.325 -17.098 -0.196 1.00 0.43 O ATOM 624 CB LYS A 41 -8.637 -19.279 0.757 1.00 1.32 C ATOM 625 CG LYS A 41 -7.762 -20.198 -0.096 1.00 1.18 C ATOM 626 CD LYS A 41 -7.223 -21.339 0.769 1.00 1.85 C ATOM 627 CE LYS A 41 -6.062 -22.025 0.046 1.00 1.55 C ATOM 628 NZ LYS A 41 -6.535 -22.545 -1.269 1.00 1.37 N ATOM 0 H LYS A 41 -7.517 -16.997 0.648 1.00 0.64 H new ATOM 0 HA LYS A 41 -9.357 -18.490 -1.114 1.00 0.84 H new ATOM 0 HB2 LYS A 41 -8.061 -18.886 1.595 1.00 1.32 H new ATOM 0 HB3 LYS A 41 -9.470 -19.841 1.179 1.00 1.32 H new ATOM 0 HG2 LYS A 41 -8.341 -20.600 -0.927 1.00 1.18 H new ATOM 0 HG3 LYS A 41 -6.936 -19.633 -0.527 1.00 1.18 H new ATOM 0 HD2 LYS A 41 -6.888 -20.952 1.732 1.00 1.85 H new ATOM 0 HD3 LYS A 41 -8.015 -22.060 0.973 1.00 1.85 H new ATOM 0 HE2 LYS A 41 -5.244 -21.320 -0.102 1.00 1.55 H new ATOM 0 HE3 LYS A 41 -5.673 -22.842 0.654 1.00 1.55 H new ATOM 0 HZ1 LYS A 41 -5.848 -23.233 -1.638 1.00 1.37 H new ATOM 0 HZ2 LYS A 41 -7.458 -23.009 -1.147 1.00 1.37 H new ATOM 0 HZ3 LYS A 41 -6.630 -21.756 -1.940 1.00 1.37 H new ATOM 642 N ASP A 42 -10.601 -17.675 1.796 1.00 0.76 N ATOM 643 CA ASP A 42 -11.842 -17.166 2.446 1.00 0.77 C ATOM 644 C ASP A 42 -11.630 -15.717 2.887 1.00 0.75 C ATOM 645 O ASP A 42 -12.571 -14.988 3.132 1.00 1.26 O ATOM 646 CB ASP A 42 -12.169 -18.029 3.667 1.00 1.16 C ATOM 647 CG ASP A 42 -10.874 -18.397 4.393 1.00 1.63 C ATOM 648 OD1 ASP A 42 -10.144 -17.491 4.758 1.00 2.70 O ATOM 649 OD2 ASP A 42 -10.634 -19.581 4.572 1.00 1.61 O ATOM 0 H ASP A 42 -9.911 -18.076 2.431 1.00 0.76 H new ATOM 0 HA ASP A 42 -12.668 -17.212 1.737 1.00 0.77 H new ATOM 0 HB2 ASP A 42 -12.835 -17.488 4.340 1.00 1.16 H new ATOM 0 HB3 ASP A 42 -12.694 -18.933 3.357 1.00 1.16 H new ATOM 654 N THR A 43 -10.400 -15.293 2.992 1.00 0.72 N ATOM 655 CA THR A 43 -10.128 -13.891 3.419 1.00 0.62 C ATOM 656 C THR A 43 -11.014 -12.935 2.618 1.00 0.44 C ATOM 657 O THR A 43 -10.965 -12.898 1.405 1.00 0.59 O ATOM 658 CB THR A 43 -8.657 -13.558 3.166 1.00 0.54 C ATOM 659 OG1 THR A 43 -8.296 -13.978 1.858 1.00 0.44 O ATOM 660 CG2 THR A 43 -7.783 -14.277 4.195 1.00 0.95 C ATOM 0 H THR A 43 -9.572 -15.857 2.801 1.00 0.72 H new ATOM 0 HA THR A 43 -10.346 -13.784 4.482 1.00 0.62 H new ATOM 0 HB THR A 43 -8.508 -12.482 3.256 1.00 0.54 H new ATOM 0 HG1 THR A 43 -9.072 -13.901 1.264 1.00 0.44 H new ATOM 0 HG21 THR A 43 -6.735 -14.038 4.013 1.00 0.95 H new ATOM 0 HG22 THR A 43 -8.060 -13.952 5.198 1.00 0.95 H new ATOM 0 HG23 THR A 43 -7.930 -15.354 4.109 1.00 0.95 H new ATOM 668 N THR A 44 -11.823 -12.160 3.287 1.00 0.37 N ATOM 669 CA THR A 44 -12.710 -11.206 2.562 1.00 0.32 C ATOM 670 C THR A 44 -11.997 -9.861 2.411 1.00 0.33 C ATOM 671 O THR A 44 -10.860 -9.704 2.808 1.00 0.50 O ATOM 672 CB THR A 44 -14.005 -11.011 3.356 1.00 0.56 C ATOM 673 OG1 THR A 44 -13.727 -10.278 4.540 1.00 0.86 O ATOM 674 CG2 THR A 44 -14.592 -12.375 3.723 1.00 0.45 C ATOM 0 H THR A 44 -11.908 -12.146 4.303 1.00 0.37 H new ATOM 0 HA THR A 44 -12.945 -11.605 1.575 1.00 0.32 H new ATOM 0 HB THR A 44 -14.724 -10.461 2.749 1.00 0.56 H new ATOM 0 HG1 THR A 44 -14.555 -10.151 5.048 1.00 0.86 H new ATOM 0 HG21 THR A 44 -15.513 -12.234 4.288 1.00 0.45 H new ATOM 0 HG22 THR A 44 -14.806 -12.936 2.813 1.00 0.45 H new ATOM 0 HG23 THR A 44 -13.875 -12.928 4.330 1.00 0.45 H new ATOM 682 N GLU A 45 -12.656 -8.891 1.841 1.00 0.39 N ATOM 683 CA GLU A 45 -12.015 -7.557 1.666 1.00 0.38 C ATOM 684 C GLU A 45 -11.354 -7.131 2.978 1.00 0.33 C ATOM 685 O GLU A 45 -10.243 -6.639 2.995 1.00 0.21 O ATOM 686 CB GLU A 45 -13.077 -6.528 1.273 1.00 0.37 C ATOM 687 CG GLU A 45 -14.267 -7.242 0.628 1.00 0.37 C ATOM 688 CD GLU A 45 -15.147 -6.220 -0.095 1.00 1.28 C ATOM 689 OE1 GLU A 45 -15.173 -5.080 0.338 1.00 2.18 O ATOM 690 OE2 GLU A 45 -15.778 -6.595 -1.069 1.00 1.73 O ATOM 0 H GLU A 45 -13.610 -8.964 1.489 1.00 0.39 H new ATOM 0 HA GLU A 45 -11.260 -7.618 0.882 1.00 0.38 H new ATOM 0 HB2 GLU A 45 -13.405 -5.974 2.153 1.00 0.37 H new ATOM 0 HB3 GLU A 45 -12.655 -5.802 0.578 1.00 0.37 H new ATOM 0 HG2 GLU A 45 -13.914 -7.996 -0.076 1.00 0.37 H new ATOM 0 HG3 GLU A 45 -14.848 -7.763 1.389 1.00 0.37 H new ATOM 697 N LYS A 46 -12.029 -7.316 4.081 1.00 0.43 N ATOM 698 CA LYS A 46 -11.438 -6.922 5.390 1.00 0.41 C ATOM 699 C LYS A 46 -10.033 -7.516 5.515 1.00 0.41 C ATOM 700 O LYS A 46 -9.050 -6.806 5.563 1.00 0.43 O ATOM 701 CB LYS A 46 -12.320 -7.451 6.527 1.00 0.43 C ATOM 702 CG LYS A 46 -13.458 -6.461 6.805 1.00 0.44 C ATOM 703 CD LYS A 46 -12.908 -5.180 7.449 1.00 0.90 C ATOM 704 CE LYS A 46 -13.668 -4.897 8.746 1.00 1.08 C ATOM 705 NZ LYS A 46 -15.110 -4.678 8.440 1.00 0.79 N ATOM 0 H LYS A 46 -12.963 -7.723 4.131 1.00 0.43 H new ATOM 0 HA LYS A 46 -11.379 -5.835 5.451 1.00 0.41 H new ATOM 0 HB2 LYS A 46 -12.730 -8.425 6.259 1.00 0.43 H new ATOM 0 HB3 LYS A 46 -11.722 -7.594 7.427 1.00 0.43 H new ATOM 0 HG2 LYS A 46 -13.971 -6.217 5.875 1.00 0.44 H new ATOM 0 HG3 LYS A 46 -14.195 -6.920 7.464 1.00 0.44 H new ATOM 0 HD2 LYS A 46 -11.844 -5.292 7.655 1.00 0.90 H new ATOM 0 HD3 LYS A 46 -13.013 -4.340 6.762 1.00 0.90 H new ATOM 0 HE2 LYS A 46 -13.555 -5.733 9.436 1.00 1.08 H new ATOM 0 HE3 LYS A 46 -13.252 -4.018 9.239 1.00 1.08 H new ATOM 0 HZ1 LYS A 46 -15.534 -4.079 9.177 1.00 0.79 H new ATOM 0 HZ2 LYS A 46 -15.201 -4.208 7.517 1.00 0.79 H new ATOM 0 HZ3 LYS A 46 -15.602 -5.594 8.412 1.00 0.79 H new ATOM 719 N GLU A 47 -9.932 -8.817 5.569 1.00 0.39 N ATOM 720 CA GLU A 47 -8.592 -9.456 5.691 1.00 0.38 C ATOM 721 C GLU A 47 -7.719 -9.039 4.506 1.00 0.38 C ATOM 722 O GLU A 47 -6.508 -9.006 4.596 1.00 0.42 O ATOM 723 CB GLU A 47 -8.751 -10.978 5.697 1.00 0.37 C ATOM 724 CG GLU A 47 -9.158 -11.443 7.097 1.00 0.29 C ATOM 725 CD GLU A 47 -7.915 -11.891 7.868 1.00 1.17 C ATOM 726 OE1 GLU A 47 -7.224 -12.769 7.379 1.00 1.69 O ATOM 727 OE2 GLU A 47 -7.676 -11.347 8.933 1.00 1.90 O ATOM 0 H GLU A 47 -10.720 -9.464 5.534 1.00 0.39 H new ATOM 0 HA GLU A 47 -8.120 -9.137 6.620 1.00 0.38 H new ATOM 0 HB2 GLU A 47 -9.505 -11.278 4.969 1.00 0.37 H new ATOM 0 HB3 GLU A 47 -7.815 -11.453 5.402 1.00 0.37 H new ATOM 0 HG2 GLU A 47 -9.657 -10.634 7.630 1.00 0.29 H new ATOM 0 HG3 GLU A 47 -9.871 -12.265 7.026 1.00 0.29 H new ATOM 734 N THR A 48 -8.323 -8.719 3.394 1.00 0.35 N ATOM 735 CA THR A 48 -7.526 -8.305 2.206 1.00 0.34 C ATOM 736 C THR A 48 -6.796 -6.995 2.512 1.00 0.32 C ATOM 737 O THR A 48 -5.610 -6.867 2.285 1.00 0.35 O ATOM 738 CB THR A 48 -8.460 -8.101 1.010 1.00 0.34 C ATOM 739 OG1 THR A 48 -9.441 -9.128 0.998 1.00 0.42 O ATOM 740 CG2 THR A 48 -7.650 -8.150 -0.286 1.00 0.35 C ATOM 0 H THR A 48 -9.334 -8.727 3.258 1.00 0.35 H new ATOM 0 HA THR A 48 -6.797 -9.080 1.970 1.00 0.34 H new ATOM 0 HB THR A 48 -8.950 -7.131 1.092 1.00 0.34 H new ATOM 0 HG1 THR A 48 -9.822 -9.227 1.896 1.00 0.42 H new ATOM 0 HG21 THR A 48 -8.316 -8.005 -1.137 1.00 0.35 H new ATOM 0 HG22 THR A 48 -6.898 -7.361 -0.275 1.00 0.35 H new ATOM 0 HG23 THR A 48 -7.158 -9.119 -0.371 1.00 0.35 H new ATOM 748 N PHE A 49 -7.496 -6.021 3.027 1.00 0.30 N ATOM 749 CA PHE A 49 -6.841 -4.722 3.348 1.00 0.28 C ATOM 750 C PHE A 49 -5.791 -4.936 4.439 1.00 0.27 C ATOM 751 O PHE A 49 -4.803 -4.233 4.510 1.00 0.28 O ATOM 752 CB PHE A 49 -7.894 -3.727 3.840 1.00 0.26 C ATOM 753 CG PHE A 49 -8.899 -3.471 2.742 1.00 0.27 C ATOM 754 CD1 PHE A 49 -8.508 -2.796 1.580 1.00 0.25 C ATOM 755 CD2 PHE A 49 -10.222 -3.911 2.884 1.00 0.31 C ATOM 756 CE1 PHE A 49 -9.438 -2.557 0.561 1.00 0.29 C ATOM 757 CE2 PHE A 49 -11.152 -3.672 1.865 1.00 0.33 C ATOM 758 CZ PHE A 49 -10.760 -2.995 0.703 1.00 0.32 C ATOM 0 H PHE A 49 -8.493 -6.069 3.239 1.00 0.30 H new ATOM 0 HA PHE A 49 -6.359 -4.327 2.453 1.00 0.28 H new ATOM 0 HB2 PHE A 49 -8.397 -4.121 4.723 1.00 0.26 H new ATOM 0 HB3 PHE A 49 -7.417 -2.793 4.135 1.00 0.26 H new ATOM 0 HD1 PHE A 49 -7.488 -2.459 1.469 1.00 0.25 H new ATOM 0 HD2 PHE A 49 -10.524 -4.434 3.779 1.00 0.31 H new ATOM 0 HE1 PHE A 49 -9.135 -2.035 -0.335 1.00 0.29 H new ATOM 0 HE2 PHE A 49 -12.172 -4.010 1.975 1.00 0.33 H new ATOM 0 HZ PHE A 49 -11.477 -2.811 -0.083 1.00 0.32 H new ATOM 768 N CYS A 50 -5.996 -5.903 5.292 1.00 0.25 N ATOM 769 CA CYS A 50 -5.009 -6.160 6.379 1.00 0.24 C ATOM 770 C CYS A 50 -3.711 -6.696 5.771 1.00 0.25 C ATOM 771 O CYS A 50 -2.676 -6.064 5.837 1.00 0.30 O ATOM 772 CB CYS A 50 -5.579 -7.191 7.353 1.00 0.24 C ATOM 773 SG CYS A 50 -4.227 -7.943 8.292 1.00 0.21 S ATOM 0 H CYS A 50 -6.804 -6.526 5.283 1.00 0.25 H new ATOM 0 HA CYS A 50 -4.805 -5.231 6.912 1.00 0.24 H new ATOM 0 HB2 CYS A 50 -6.286 -6.714 8.031 1.00 0.24 H new ATOM 0 HB3 CYS A 50 -6.128 -7.958 6.807 1.00 0.24 H new ATOM 778 N ARG A 51 -3.758 -7.860 5.183 1.00 0.22 N ATOM 779 CA ARG A 51 -2.527 -8.437 4.573 1.00 0.22 C ATOM 780 C ARG A 51 -1.829 -7.371 3.726 1.00 0.27 C ATOM 781 O ARG A 51 -0.618 -7.337 3.629 1.00 0.37 O ATOM 782 CB ARG A 51 -2.906 -9.625 3.686 1.00 0.20 C ATOM 783 CG ARG A 51 -3.407 -10.776 4.560 1.00 0.15 C ATOM 784 CD ARG A 51 -3.832 -11.946 3.669 1.00 0.29 C ATOM 785 NE ARG A 51 -3.267 -13.213 4.212 1.00 0.86 N ATOM 786 CZ ARG A 51 -3.729 -14.362 3.801 1.00 1.08 C ATOM 787 NH1 ARG A 51 -4.685 -14.402 2.914 1.00 0.70 N ATOM 788 NH2 ARG A 51 -3.233 -15.472 4.276 1.00 1.95 N ATOM 0 H ARG A 51 -4.595 -8.436 5.099 1.00 0.22 H new ATOM 0 HA ARG A 51 -1.854 -8.772 5.362 1.00 0.22 H new ATOM 0 HB2 ARG A 51 -3.679 -9.330 2.976 1.00 0.20 H new ATOM 0 HB3 ARG A 51 -2.043 -9.946 3.102 1.00 0.20 H new ATOM 0 HG2 ARG A 51 -2.622 -11.094 5.246 1.00 0.15 H new ATOM 0 HG3 ARG A 51 -4.248 -10.445 5.169 1.00 0.15 H new ATOM 0 HD2 ARG A 51 -4.919 -12.009 3.627 1.00 0.29 H new ATOM 0 HD3 ARG A 51 -3.482 -11.787 2.649 1.00 0.29 H new ATOM 0 HE ARG A 51 -2.519 -13.182 4.905 1.00 0.86 H new ATOM 0 HH11 ARG A 51 -5.072 -13.535 2.541 1.00 0.70 H new ATOM 0 HH12 ARG A 51 -5.046 -15.301 2.593 1.00 0.70 H new ATOM 0 HH21 ARG A 51 -2.485 -15.441 4.968 1.00 1.95 H new ATOM 0 HH22 ARG A 51 -3.594 -16.370 3.955 1.00 1.95 H new ATOM 802 N ALA A 52 -2.582 -6.501 3.112 1.00 0.30 N ATOM 803 CA ALA A 52 -1.960 -5.439 2.271 1.00 0.34 C ATOM 804 C ALA A 52 -1.082 -4.544 3.148 1.00 0.25 C ATOM 805 O ALA A 52 0.080 -4.328 2.862 1.00 0.22 O ATOM 806 CB ALA A 52 -3.058 -4.596 1.620 1.00 0.40 C ATOM 0 H ALA A 52 -3.601 -6.479 3.156 1.00 0.30 H new ATOM 0 HA ALA A 52 -1.349 -5.900 1.496 1.00 0.34 H new ATOM 0 HB1 ALA A 52 -2.604 -3.819 1.005 1.00 0.40 H new ATOM 0 HB2 ALA A 52 -3.684 -5.233 0.996 1.00 0.40 H new ATOM 0 HB3 ALA A 52 -3.670 -4.134 2.395 1.00 0.40 H new ATOM 812 N ALA A 53 -1.626 -4.021 4.212 1.00 0.26 N ATOM 813 CA ALA A 53 -0.821 -3.139 5.103 1.00 0.20 C ATOM 814 C ALA A 53 0.312 -3.950 5.736 1.00 0.19 C ATOM 815 O ALA A 53 1.428 -3.484 5.859 1.00 0.14 O ATOM 816 CB ALA A 53 -1.718 -2.570 6.204 1.00 0.30 C ATOM 0 H ALA A 53 -2.593 -4.166 4.503 1.00 0.26 H new ATOM 0 HA ALA A 53 -0.400 -2.321 4.519 1.00 0.20 H new ATOM 0 HB1 ALA A 53 -1.129 -1.925 6.856 1.00 0.30 H new ATOM 0 HB2 ALA A 53 -2.525 -1.992 5.754 1.00 0.30 H new ATOM 0 HB3 ALA A 53 -2.140 -3.388 6.788 1.00 0.30 H new ATOM 822 N THR A 54 0.037 -5.159 6.141 1.00 0.28 N ATOM 823 CA THR A 54 1.100 -5.996 6.766 1.00 0.34 C ATOM 824 C THR A 54 2.351 -5.968 5.887 1.00 0.31 C ATOM 825 O THR A 54 3.457 -5.811 6.366 1.00 0.34 O ATOM 826 CB THR A 54 0.601 -7.436 6.900 1.00 0.44 C ATOM 827 OG1 THR A 54 -0.652 -7.441 7.571 1.00 0.47 O ATOM 828 CG2 THR A 54 1.614 -8.256 7.701 1.00 0.51 C ATOM 0 H THR A 54 -0.878 -5.604 6.066 1.00 0.28 H new ATOM 0 HA THR A 54 1.341 -5.602 7.753 1.00 0.34 H new ATOM 0 HB THR A 54 0.484 -7.874 5.909 1.00 0.44 H new ATOM 0 HG1 THR A 54 -1.353 -7.139 6.957 1.00 0.47 H new ATOM 0 HG21 THR A 54 1.258 -9.282 7.796 1.00 0.51 H new ATOM 0 HG22 THR A 54 2.574 -8.252 7.186 1.00 0.51 H new ATOM 0 HG23 THR A 54 1.732 -7.820 8.693 1.00 0.51 H new ATOM 836 N VAL A 55 2.186 -6.119 4.600 1.00 0.28 N ATOM 837 CA VAL A 55 3.366 -6.100 3.691 1.00 0.28 C ATOM 838 C VAL A 55 3.984 -4.701 3.684 1.00 0.25 C ATOM 839 O VAL A 55 5.119 -4.511 4.073 1.00 0.27 O ATOM 840 CB VAL A 55 2.922 -6.469 2.274 1.00 0.27 C ATOM 841 CG1 VAL A 55 4.108 -6.339 1.317 1.00 0.23 C ATOM 842 CG2 VAL A 55 2.412 -7.912 2.260 1.00 0.25 C ATOM 0 H VAL A 55 1.286 -6.254 4.140 1.00 0.28 H new ATOM 0 HA VAL A 55 4.106 -6.821 4.040 1.00 0.28 H new ATOM 0 HB VAL A 55 2.124 -5.797 1.957 1.00 0.27 H new ATOM 0 HG11 VAL A 55 3.792 -6.602 0.308 1.00 0.23 H new ATOM 0 HG12 VAL A 55 4.473 -5.312 1.327 1.00 0.23 H new ATOM 0 HG13 VAL A 55 4.906 -7.010 1.633 1.00 0.23 H new ATOM 0 HG21 VAL A 55 2.095 -8.176 1.251 1.00 0.25 H new ATOM 0 HG22 VAL A 55 3.210 -8.583 2.577 1.00 0.25 H new ATOM 0 HG23 VAL A 55 1.567 -8.006 2.942 1.00 0.25 H new ATOM 852 N LEU A 56 3.245 -3.719 3.245 1.00 0.21 N ATOM 853 CA LEU A 56 3.789 -2.333 3.215 1.00 0.21 C ATOM 854 C LEU A 56 4.459 -2.020 4.554 1.00 0.20 C ATOM 855 O LEU A 56 5.413 -1.272 4.623 1.00 0.22 O ATOM 856 CB LEU A 56 2.649 -1.341 2.971 1.00 0.23 C ATOM 857 CG LEU A 56 1.882 -1.740 1.708 1.00 0.29 C ATOM 858 CD1 LEU A 56 0.736 -0.753 1.473 1.00 0.27 C ATOM 859 CD2 LEU A 56 2.828 -1.715 0.504 1.00 0.53 C ATOM 0 H LEU A 56 2.288 -3.817 2.906 1.00 0.21 H new ATOM 0 HA LEU A 56 4.522 -2.248 2.412 1.00 0.21 H new ATOM 0 HB2 LEU A 56 1.976 -1.327 3.828 1.00 0.23 H new ATOM 0 HB3 LEU A 56 3.048 -0.332 2.863 1.00 0.23 H new ATOM 0 HG LEU A 56 1.479 -2.745 1.833 1.00 0.29 H new ATOM 0 HD11 LEU A 56 0.190 -1.037 0.574 1.00 0.27 H new ATOM 0 HD12 LEU A 56 0.060 -0.770 2.328 1.00 0.27 H new ATOM 0 HD13 LEU A 56 1.141 0.252 1.350 1.00 0.27 H new ATOM 0 HD21 LEU A 56 2.281 -1.999 -0.395 1.00 0.53 H new ATOM 0 HD22 LEU A 56 3.233 -0.710 0.380 1.00 0.53 H new ATOM 0 HD23 LEU A 56 3.645 -2.417 0.669 1.00 0.53 H new ATOM 871 N ARG A 57 3.969 -2.589 5.620 1.00 0.21 N ATOM 872 CA ARG A 57 4.582 -2.322 6.950 1.00 0.22 C ATOM 873 C ARG A 57 6.027 -2.825 6.955 1.00 0.25 C ATOM 874 O ARG A 57 6.961 -2.059 7.087 1.00 0.24 O ATOM 875 CB ARG A 57 3.785 -3.051 8.035 1.00 0.27 C ATOM 876 CG ARG A 57 4.089 -2.428 9.399 1.00 0.05 C ATOM 877 CD ARG A 57 3.267 -3.135 10.478 1.00 0.29 C ATOM 878 NE ARG A 57 4.022 -3.125 11.763 1.00 0.73 N ATOM 879 CZ ARG A 57 3.408 -3.399 12.882 1.00 0.93 C ATOM 880 NH1 ARG A 57 2.135 -3.683 12.875 1.00 0.92 N ATOM 881 NH2 ARG A 57 4.069 -3.389 14.007 1.00 1.61 N ATOM 0 H ARG A 57 3.172 -3.226 5.628 1.00 0.21 H new ATOM 0 HA ARG A 57 4.569 -1.250 7.148 1.00 0.22 H new ATOM 0 HB2 ARG A 57 2.718 -2.985 7.823 1.00 0.27 H new ATOM 0 HB3 ARG A 57 4.044 -4.110 8.041 1.00 0.27 H new ATOM 0 HG2 ARG A 57 5.152 -2.515 9.622 1.00 0.05 H new ATOM 0 HG3 ARG A 57 3.852 -1.364 9.385 1.00 0.05 H new ATOM 0 HD2 ARG A 57 2.306 -2.636 10.604 1.00 0.29 H new ATOM 0 HD3 ARG A 57 3.056 -4.161 10.176 1.00 0.29 H new ATOM 0 HE ARG A 57 5.018 -2.904 11.768 1.00 0.73 H new ATOM 0 HH11 ARG A 57 1.619 -3.691 11.995 1.00 0.92 H new ATOM 0 HH12 ARG A 57 1.655 -3.897 13.749 1.00 0.92 H new ATOM 0 HH21 ARG A 57 5.065 -3.167 14.012 1.00 1.61 H new ATOM 0 HH22 ARG A 57 3.590 -3.603 14.882 1.00 1.61 H new ATOM 895 N GLN A 58 6.218 -4.108 6.814 1.00 0.30 N ATOM 896 CA GLN A 58 7.602 -4.662 6.813 1.00 0.35 C ATOM 897 C GLN A 58 8.373 -4.132 5.601 1.00 0.35 C ATOM 898 O GLN A 58 9.540 -4.417 5.426 1.00 0.40 O ATOM 899 CB GLN A 58 7.537 -6.189 6.744 1.00 0.41 C ATOM 900 CG GLN A 58 6.673 -6.611 5.554 1.00 0.52 C ATOM 901 CD GLN A 58 6.605 -8.138 5.488 1.00 1.07 C ATOM 902 OE1 GLN A 58 5.957 -8.765 6.302 1.00 2.10 O ATOM 903 NE2 GLN A 58 7.252 -8.768 4.545 1.00 0.81 N ATOM 0 H GLN A 58 5.475 -4.797 6.699 1.00 0.30 H new ATOM 0 HA GLN A 58 8.112 -4.356 7.726 1.00 0.35 H new ATOM 0 HB2 GLN A 58 8.541 -6.602 6.643 1.00 0.41 H new ATOM 0 HB3 GLN A 58 7.120 -6.588 7.669 1.00 0.41 H new ATOM 0 HG2 GLN A 58 5.670 -6.196 5.654 1.00 0.52 H new ATOM 0 HG3 GLN A 58 7.091 -6.215 4.629 1.00 0.52 H new ATOM 0 HE21 GLN A 58 7.796 -8.242 3.861 1.00 0.81 H new ATOM 0 HE22 GLN A 58 7.213 -9.786 4.492 1.00 0.81 H new ATOM 912 N PHE A 59 7.731 -3.367 4.759 1.00 0.30 N ATOM 913 CA PHE A 59 8.436 -2.830 3.560 1.00 0.33 C ATOM 914 C PHE A 59 9.179 -1.540 3.921 1.00 0.33 C ATOM 915 O PHE A 59 10.390 -1.520 4.018 1.00 0.38 O ATOM 916 CB PHE A 59 7.417 -2.535 2.456 1.00 0.32 C ATOM 917 CG PHE A 59 8.143 -2.149 1.190 1.00 0.37 C ATOM 918 CD1 PHE A 59 8.703 -3.138 0.373 1.00 0.43 C ATOM 919 CD2 PHE A 59 8.255 -0.799 0.832 1.00 0.39 C ATOM 920 CE1 PHE A 59 9.376 -2.778 -0.800 1.00 0.49 C ATOM 921 CE2 PHE A 59 8.929 -0.440 -0.341 1.00 0.44 C ATOM 922 CZ PHE A 59 9.489 -1.429 -1.157 1.00 0.48 C ATOM 0 H PHE A 59 6.753 -3.092 4.849 1.00 0.30 H new ATOM 0 HA PHE A 59 9.154 -3.571 3.210 1.00 0.33 H new ATOM 0 HB2 PHE A 59 6.794 -3.412 2.278 1.00 0.32 H new ATOM 0 HB3 PHE A 59 6.752 -1.729 2.766 1.00 0.32 H new ATOM 0 HD1 PHE A 59 8.616 -4.179 0.648 1.00 0.43 H new ATOM 0 HD2 PHE A 59 7.821 -0.036 1.461 1.00 0.39 H new ATOM 0 HE1 PHE A 59 9.808 -3.541 -1.430 1.00 0.49 H new ATOM 0 HE2 PHE A 59 9.017 0.601 -0.616 1.00 0.44 H new ATOM 0 HZ PHE A 59 10.008 -1.152 -2.062 1.00 0.48 H new ATOM 932 N TYR A 60 8.468 -0.462 4.109 1.00 0.29 N ATOM 933 CA TYR A 60 9.143 0.825 4.449 1.00 0.30 C ATOM 934 C TYR A 60 9.689 0.770 5.878 1.00 0.27 C ATOM 935 O TYR A 60 10.388 1.662 6.315 1.00 0.29 O ATOM 936 CB TYR A 60 8.141 1.978 4.328 1.00 0.31 C ATOM 937 CG TYR A 60 7.058 1.827 5.369 1.00 0.26 C ATOM 938 CD1 TYR A 60 7.293 2.228 6.691 1.00 0.24 C ATOM 939 CD2 TYR A 60 5.817 1.288 5.011 1.00 0.25 C ATOM 940 CE1 TYR A 60 6.286 2.087 7.654 1.00 0.22 C ATOM 941 CE2 TYR A 60 4.810 1.148 5.974 1.00 0.23 C ATOM 942 CZ TYR A 60 5.045 1.548 7.295 1.00 0.22 C ATOM 943 OH TYR A 60 4.053 1.409 8.245 1.00 0.23 O ATOM 0 H TYR A 60 7.451 -0.415 4.042 1.00 0.29 H new ATOM 0 HA TYR A 60 9.970 0.986 3.757 1.00 0.30 H new ATOM 0 HB2 TYR A 60 8.653 2.932 4.458 1.00 0.31 H new ATOM 0 HB3 TYR A 60 7.701 1.986 3.331 1.00 0.31 H new ATOM 0 HD1 TYR A 60 8.250 2.645 6.967 1.00 0.24 H new ATOM 0 HD2 TYR A 60 5.636 0.980 3.992 1.00 0.25 H new ATOM 0 HE1 TYR A 60 6.467 2.394 8.674 1.00 0.22 H new ATOM 0 HE2 TYR A 60 3.853 0.732 5.698 1.00 0.23 H new ATOM 0 HH TYR A 60 4.151 2.108 8.925 1.00 0.23 H new ATOM 953 N SER A 61 9.381 -0.263 6.611 1.00 0.24 N ATOM 954 CA SER A 61 9.892 -0.357 8.008 1.00 0.23 C ATOM 955 C SER A 61 11.336 -0.865 7.993 1.00 0.13 C ATOM 956 O SER A 61 12.182 -0.379 8.715 1.00 0.18 O ATOM 957 CB SER A 61 9.021 -1.324 8.810 1.00 0.26 C ATOM 958 OG SER A 61 7.711 -0.784 8.933 1.00 0.28 O ATOM 0 H SER A 61 8.800 -1.044 6.305 1.00 0.24 H new ATOM 0 HA SER A 61 9.858 0.630 8.470 1.00 0.23 H new ATOM 0 HB2 SER A 61 8.982 -2.294 8.314 1.00 0.26 H new ATOM 0 HB3 SER A 61 9.453 -1.488 9.797 1.00 0.26 H new ATOM 0 HG SER A 61 7.188 -1.009 8.135 1.00 0.28 H new ATOM 964 N HIS A 62 11.623 -1.840 7.174 1.00 0.07 N ATOM 965 CA HIS A 62 13.012 -2.378 7.116 1.00 0.10 C ATOM 966 C HIS A 62 13.817 -1.609 6.066 1.00 0.14 C ATOM 967 O HIS A 62 14.904 -1.132 6.331 1.00 0.50 O ATOM 968 CB HIS A 62 12.968 -3.860 6.736 1.00 0.17 C ATOM 969 CG HIS A 62 12.606 -4.677 7.946 1.00 0.22 C ATOM 970 ND1 HIS A 62 13.564 -5.319 8.717 1.00 1.48 N ATOM 971 CD2 HIS A 62 11.398 -4.966 8.531 1.00 1.08 C ATOM 972 CE1 HIS A 62 12.921 -5.956 9.713 1.00 1.12 C ATOM 973 NE2 HIS A 62 11.599 -5.774 9.646 1.00 0.56 N ATOM 0 H HIS A 62 10.957 -2.287 6.544 1.00 0.07 H new ATOM 0 HA HIS A 62 13.485 -2.264 8.091 1.00 0.10 H new ATOM 0 HB2 HIS A 62 12.238 -4.022 5.943 1.00 0.17 H new ATOM 0 HB3 HIS A 62 13.936 -4.176 6.347 1.00 0.17 H new ATOM 0 HD2 HIS A 62 10.438 -4.619 8.179 1.00 1.08 H new ATOM 0 HE1 HIS A 62 13.414 -6.543 10.474 1.00 1.12 H new ATOM 0 HE2 HIS A 62 10.890 -6.147 10.277 1.00 0.56 H new ATOM 981 N HIS A 63 13.295 -1.486 4.876 1.00 0.23 N ATOM 982 CA HIS A 63 14.033 -0.751 3.810 1.00 0.21 C ATOM 983 C HIS A 63 14.440 0.632 4.325 1.00 0.20 C ATOM 984 O HIS A 63 15.584 1.029 4.224 1.00 0.18 O ATOM 985 CB HIS A 63 13.132 -0.593 2.583 1.00 0.21 C ATOM 986 CG HIS A 63 12.852 -1.946 1.991 1.00 0.22 C ATOM 987 ND1 HIS A 63 13.865 -2.839 1.678 1.00 0.24 N ATOM 988 CD2 HIS A 63 11.680 -2.574 1.649 1.00 0.23 C ATOM 989 CE1 HIS A 63 13.288 -3.945 1.172 1.00 0.24 C ATOM 990 NE2 HIS A 63 11.957 -3.836 1.133 1.00 0.23 N ATOM 0 H HIS A 63 12.389 -1.863 4.596 1.00 0.23 H new ATOM 0 HA HIS A 63 14.927 -1.312 3.537 1.00 0.21 H new ATOM 0 HB2 HIS A 63 12.198 -0.107 2.864 1.00 0.21 H new ATOM 0 HB3 HIS A 63 13.614 0.047 1.844 1.00 0.21 H new ATOM 0 HD2 HIS A 63 10.692 -2.152 1.763 1.00 0.23 H new ATOM 0 HE1 HIS A 63 13.835 -4.815 0.838 1.00 0.24 H new ATOM 0 HE2 HIS A 63 11.288 -4.529 0.797 1.00 0.23 H new ATOM 998 N GLU A 64 13.513 1.369 4.874 1.00 0.22 N ATOM 999 CA GLU A 64 13.850 2.726 5.392 1.00 0.22 C ATOM 1000 C GLU A 64 15.126 2.649 6.235 1.00 0.20 C ATOM 1001 O GLU A 64 15.803 3.635 6.443 1.00 0.19 O ATOM 1002 CB GLU A 64 12.699 3.243 6.258 1.00 0.24 C ATOM 1003 CG GLU A 64 13.108 4.562 6.917 1.00 0.24 C ATOM 1004 CD GLU A 64 11.861 5.278 7.441 1.00 1.08 C ATOM 1005 OE1 GLU A 64 10.992 4.603 7.967 1.00 2.06 O ATOM 1006 OE2 GLU A 64 11.798 6.489 7.308 1.00 1.93 O ATOM 0 H GLU A 64 12.538 1.091 4.986 1.00 0.22 H new ATOM 0 HA GLU A 64 14.008 3.405 4.554 1.00 0.22 H new ATOM 0 HB2 GLU A 64 11.808 3.390 5.647 1.00 0.24 H new ATOM 0 HB3 GLU A 64 12.445 2.507 7.021 1.00 0.24 H new ATOM 0 HG2 GLU A 64 13.802 4.372 7.735 1.00 0.24 H new ATOM 0 HG3 GLU A 64 13.628 5.194 6.198 1.00 0.24 H new ATOM 1013 N LYS A 65 15.457 1.483 6.720 1.00 0.29 N ATOM 1014 CA LYS A 65 16.689 1.343 7.548 1.00 0.29 C ATOM 1015 C LYS A 65 17.859 0.923 6.656 1.00 0.26 C ATOM 1016 O LYS A 65 19.006 1.193 6.954 1.00 0.24 O ATOM 1017 CB LYS A 65 16.460 0.280 8.625 1.00 0.34 C ATOM 1018 CG LYS A 65 16.398 0.948 9.999 1.00 0.83 C ATOM 1019 CD LYS A 65 15.265 1.977 10.018 1.00 1.41 C ATOM 1020 CE LYS A 65 14.435 1.800 11.290 1.00 0.96 C ATOM 1021 NZ LYS A 65 15.325 1.888 12.481 1.00 1.54 N ATOM 0 H LYS A 65 14.928 0.622 6.579 1.00 0.29 H new ATOM 0 HA LYS A 65 16.919 2.297 8.022 1.00 0.29 H new ATOM 0 HB2 LYS A 65 15.532 -0.258 8.428 1.00 0.34 H new ATOM 0 HB3 LYS A 65 17.265 -0.455 8.602 1.00 0.34 H new ATOM 0 HG2 LYS A 65 16.235 0.198 10.772 1.00 0.83 H new ATOM 0 HG3 LYS A 65 17.348 1.434 10.222 1.00 0.83 H new ATOM 0 HD2 LYS A 65 15.675 2.986 9.977 1.00 1.41 H new ATOM 0 HD3 LYS A 65 14.633 1.854 9.139 1.00 1.41 H new ATOM 0 HE2 LYS A 65 13.663 2.567 11.343 1.00 0.96 H new ATOM 0 HE3 LYS A 65 13.926 0.836 11.274 1.00 0.96 H new ATOM 0 HZ1 LYS A 65 14.795 2.286 13.282 1.00 1.54 H new ATOM 0 HZ2 LYS A 65 15.666 0.938 12.730 1.00 1.54 H new ATOM 0 HZ3 LYS A 65 16.136 2.501 12.264 1.00 1.54 H new ATOM 1035 N ASP A 66 17.580 0.264 5.565 1.00 0.27 N ATOM 1036 CA ASP A 66 18.679 -0.170 4.657 1.00 0.27 C ATOM 1037 C ASP A 66 19.104 1.005 3.775 1.00 0.25 C ATOM 1038 O ASP A 66 18.316 1.876 3.463 1.00 0.16 O ATOM 1039 CB ASP A 66 18.188 -1.321 3.775 1.00 0.31 C ATOM 1040 CG ASP A 66 19.382 -2.165 3.327 1.00 0.78 C ATOM 1041 OD1 ASP A 66 20.454 -1.604 3.170 1.00 1.81 O ATOM 1042 OD2 ASP A 66 19.204 -3.359 3.146 1.00 1.02 O ATOM 0 H ASP A 66 16.640 0.008 5.263 1.00 0.27 H new ATOM 0 HA ASP A 66 19.530 -0.506 5.250 1.00 0.27 H new ATOM 0 HB2 ASP A 66 17.479 -1.939 4.326 1.00 0.31 H new ATOM 0 HB3 ASP A 66 17.660 -0.928 2.906 1.00 0.31 H new ATOM 1047 N THR A 67 20.345 1.037 3.370 1.00 0.33 N ATOM 1048 CA THR A 67 20.819 2.159 2.508 1.00 0.32 C ATOM 1049 C THR A 67 20.692 1.762 1.035 1.00 0.34 C ATOM 1050 O THR A 67 21.601 1.952 0.252 1.00 0.33 O ATOM 1051 CB THR A 67 22.284 2.464 2.829 1.00 0.35 C ATOM 1052 OG1 THR A 67 23.041 1.264 2.760 1.00 0.28 O ATOM 1053 CG2 THR A 67 22.387 3.053 4.237 1.00 0.69 C ATOM 0 H THR A 67 21.050 0.336 3.598 1.00 0.33 H new ATOM 0 HA THR A 67 20.212 3.044 2.699 1.00 0.32 H new ATOM 0 HB THR A 67 22.673 3.182 2.107 1.00 0.35 H new ATOM 0 HG1 THR A 67 23.980 1.457 2.964 1.00 0.28 H new ATOM 0 HG21 THR A 67 23.431 3.270 4.465 1.00 0.69 H new ATOM 0 HG22 THR A 67 21.805 3.973 4.290 1.00 0.69 H new ATOM 0 HG23 THR A 67 21.999 2.336 4.961 1.00 0.69 H new ATOM 1061 N ARG A 68 19.570 1.212 0.654 1.00 0.38 N ATOM 1062 CA ARG A 68 19.382 0.802 -0.767 1.00 0.40 C ATOM 1063 C ARG A 68 18.653 1.911 -1.529 1.00 0.39 C ATOM 1064 O ARG A 68 19.155 2.447 -2.496 1.00 0.39 O ATOM 1065 CB ARG A 68 18.553 -0.482 -0.821 1.00 0.42 C ATOM 1066 CG ARG A 68 19.367 -1.640 -0.240 1.00 0.31 C ATOM 1067 CD ARG A 68 18.598 -2.950 -0.428 1.00 1.15 C ATOM 1068 NE ARG A 68 19.265 -4.032 0.349 1.00 1.81 N ATOM 1069 CZ ARG A 68 18.635 -5.152 0.581 1.00 3.10 C ATOM 1070 NH1 ARG A 68 17.421 -5.323 0.134 1.00 3.81 N ATOM 1071 NH2 ARG A 68 19.219 -6.100 1.261 1.00 3.84 N ATOM 0 H ARG A 68 18.775 1.029 1.266 1.00 0.38 H new ATOM 0 HA ARG A 68 20.356 0.627 -1.225 1.00 0.40 H new ATOM 0 HB2 ARG A 68 17.629 -0.355 -0.258 1.00 0.42 H new ATOM 0 HB3 ARG A 68 18.271 -0.702 -1.851 1.00 0.42 H new ATOM 0 HG2 ARG A 68 20.336 -1.701 -0.734 1.00 0.31 H new ATOM 0 HG3 ARG A 68 19.560 -1.468 0.819 1.00 0.31 H new ATOM 0 HD2 ARG A 68 17.567 -2.830 -0.095 1.00 1.15 H new ATOM 0 HD3 ARG A 68 18.562 -3.215 -1.485 1.00 1.15 H new ATOM 0 HE ARG A 68 20.213 -3.898 0.700 1.00 1.81 H new ATOM 0 HH11 ARG A 68 16.964 -4.582 -0.397 1.00 3.81 H new ATOM 0 HH12 ARG A 68 16.929 -6.198 0.315 1.00 3.81 H new ATOM 0 HH21 ARG A 68 20.168 -5.966 1.611 1.00 3.84 H new ATOM 0 HH22 ARG A 68 18.727 -6.975 1.442 1.00 3.84 H new ATOM 1085 N CYS A 69 17.469 2.257 -1.100 1.00 0.38 N ATOM 1086 CA CYS A 69 16.707 3.328 -1.802 1.00 0.37 C ATOM 1087 C CYS A 69 17.060 4.690 -1.199 1.00 0.31 C ATOM 1088 O CYS A 69 16.344 5.657 -1.366 1.00 0.32 O ATOM 1089 CB CYS A 69 15.207 3.071 -1.641 1.00 0.45 C ATOM 1090 SG CYS A 69 14.906 1.287 -1.590 1.00 0.18 S ATOM 0 H CYS A 69 16.998 1.845 -0.295 1.00 0.38 H new ATOM 0 HA CYS A 69 16.967 3.325 -2.861 1.00 0.37 H new ATOM 0 HB2 CYS A 69 14.843 3.539 -0.726 1.00 0.45 H new ATOM 0 HB3 CYS A 69 14.659 3.520 -2.469 1.00 0.45 H new ATOM 1095 N LEU A 70 18.160 4.774 -0.502 1.00 0.34 N ATOM 1096 CA LEU A 70 18.558 6.076 0.108 1.00 0.30 C ATOM 1097 C LEU A 70 19.482 6.824 -0.855 1.00 0.39 C ATOM 1098 O LEU A 70 19.369 8.020 -1.036 1.00 0.45 O ATOM 1099 CB LEU A 70 19.295 5.819 1.426 1.00 0.27 C ATOM 1100 CG LEU A 70 18.284 5.658 2.569 1.00 0.28 C ATOM 1101 CD1 LEU A 70 19.010 5.176 3.827 1.00 0.26 C ATOM 1102 CD2 LEU A 70 17.599 7.000 2.867 1.00 0.25 C ATOM 0 H LEU A 70 18.800 3.999 -0.328 1.00 0.34 H new ATOM 0 HA LEU A 70 17.668 6.676 0.301 1.00 0.30 H new ATOM 0 HB2 LEU A 70 19.907 4.921 1.341 1.00 0.27 H new ATOM 0 HB3 LEU A 70 19.971 6.646 1.641 1.00 0.27 H new ATOM 0 HG LEU A 70 17.530 4.930 2.271 1.00 0.28 H new ATOM 0 HD11 LEU A 70 18.293 5.061 4.640 1.00 0.26 H new ATOM 0 HD12 LEU A 70 19.488 4.217 3.627 1.00 0.26 H new ATOM 0 HD13 LEU A 70 19.768 5.906 4.112 1.00 0.26 H new ATOM 0 HD21 LEU A 70 16.884 6.871 3.680 1.00 0.25 H new ATOM 0 HD22 LEU A 70 18.350 7.735 3.157 1.00 0.25 H new ATOM 0 HD23 LEU A 70 17.076 7.347 1.976 1.00 0.25 H new ATOM 1114 N GLY A 71 20.397 6.129 -1.474 1.00 0.52 N ATOM 1115 CA GLY A 71 21.328 6.801 -2.424 1.00 0.60 C ATOM 1116 C GLY A 71 22.369 7.601 -1.641 1.00 0.47 C ATOM 1117 O GLY A 71 22.574 7.381 -0.463 1.00 0.48 O ATOM 0 H GLY A 71 20.540 5.125 -1.363 1.00 0.52 H new ATOM 0 HA2 GLY A 71 21.821 6.059 -3.052 1.00 0.60 H new ATOM 0 HA3 GLY A 71 20.771 7.462 -3.089 1.00 0.60 H new ATOM 1121 N ALA A 72 23.029 8.525 -2.289 1.00 0.40 N ATOM 1122 CA ALA A 72 24.062 9.345 -1.589 1.00 0.27 C ATOM 1123 C ALA A 72 23.944 10.806 -2.032 1.00 0.27 C ATOM 1124 O ALA A 72 24.690 11.658 -1.593 1.00 0.56 O ATOM 1125 CB ALA A 72 25.455 8.818 -1.943 1.00 0.17 C ATOM 0 H ALA A 72 22.897 8.748 -3.276 1.00 0.40 H new ATOM 0 HA ALA A 72 23.908 9.279 -0.512 1.00 0.27 H new ATOM 0 HB1 ALA A 72 26.211 9.415 -1.433 1.00 0.17 H new ATOM 0 HB2 ALA A 72 25.541 7.778 -1.628 1.00 0.17 H new ATOM 0 HB3 ALA A 72 25.606 8.885 -3.020 1.00 0.17 H new ATOM 1131 N THR A 73 23.013 11.103 -2.897 1.00 0.55 N ATOM 1132 CA THR A 73 22.851 12.509 -3.363 1.00 0.54 C ATOM 1133 C THR A 73 21.895 13.250 -2.427 1.00 0.55 C ATOM 1134 O THR A 73 21.340 12.677 -1.511 1.00 0.56 O ATOM 1135 CB THR A 73 22.280 12.513 -4.784 1.00 0.57 C ATOM 1136 OG1 THR A 73 22.384 11.209 -5.337 1.00 0.45 O ATOM 1137 CG2 THR A 73 23.064 13.501 -5.648 1.00 1.36 C ATOM 0 H THR A 73 22.358 10.433 -3.301 1.00 0.55 H new ATOM 0 HA THR A 73 23.821 13.007 -3.360 1.00 0.54 H new ATOM 0 HB THR A 73 21.232 12.813 -4.755 1.00 0.57 H new ATOM 0 HG1 THR A 73 22.018 11.209 -6.246 1.00 0.45 H new ATOM 0 HG21 THR A 73 22.657 13.503 -6.659 1.00 1.36 H new ATOM 0 HG22 THR A 73 22.983 14.501 -5.222 1.00 1.36 H new ATOM 0 HG23 THR A 73 24.112 13.204 -5.680 1.00 1.36 H new ATOM 1145 N ALA A 74 21.697 14.521 -2.649 1.00 0.57 N ATOM 1146 CA ALA A 74 20.778 15.297 -1.771 1.00 0.60 C ATOM 1147 C ALA A 74 19.359 15.241 -2.341 1.00 0.54 C ATOM 1148 O ALA A 74 18.387 15.218 -1.611 1.00 0.50 O ATOM 1149 CB ALA A 74 21.243 16.753 -1.704 1.00 0.67 C ATOM 0 H ALA A 74 22.133 15.055 -3.401 1.00 0.57 H new ATOM 0 HA ALA A 74 20.785 14.867 -0.769 1.00 0.60 H new ATOM 0 HB1 ALA A 74 20.570 17.321 -1.061 1.00 0.67 H new ATOM 0 HB2 ALA A 74 22.254 16.794 -1.297 1.00 0.67 H new ATOM 0 HB3 ALA A 74 21.237 17.183 -2.705 1.00 0.67 H new ATOM 1155 N GLN A 75 19.231 15.219 -3.639 1.00 0.57 N ATOM 1156 CA GLN A 75 17.874 15.165 -4.253 1.00 0.52 C ATOM 1157 C GLN A 75 17.266 13.780 -4.028 1.00 0.39 C ATOM 1158 O GLN A 75 16.063 13.612 -4.025 1.00 0.39 O ATOM 1159 CB GLN A 75 17.983 15.436 -5.755 1.00 0.58 C ATOM 1160 CG GLN A 75 19.095 14.570 -6.352 1.00 0.60 C ATOM 1161 CD GLN A 75 20.358 15.412 -6.532 1.00 1.50 C ATOM 1162 OE1 GLN A 75 21.153 15.537 -5.622 1.00 2.59 O ATOM 1163 NE2 GLN A 75 20.579 16.001 -7.676 1.00 1.62 N ATOM 0 H GLN A 75 20.007 15.236 -4.301 1.00 0.57 H new ATOM 0 HA GLN A 75 17.237 15.920 -3.792 1.00 0.52 H new ATOM 0 HB2 GLN A 75 17.034 15.216 -6.245 1.00 0.58 H new ATOM 0 HB3 GLN A 75 18.195 16.491 -5.930 1.00 0.58 H new ATOM 0 HG2 GLN A 75 19.301 13.722 -5.698 1.00 0.60 H new ATOM 0 HG3 GLN A 75 18.777 14.163 -7.312 1.00 0.60 H new ATOM 0 HE21 GLN A 75 19.912 15.897 -8.441 1.00 1.62 H new ATOM 0 HE22 GLN A 75 21.419 16.566 -7.805 1.00 1.62 H new ATOM 1172 N GLN A 76 18.088 12.784 -3.837 1.00 0.43 N ATOM 1173 CA GLN A 76 17.556 11.411 -3.611 1.00 0.33 C ATOM 1174 C GLN A 76 17.180 11.245 -2.137 1.00 0.34 C ATOM 1175 O GLN A 76 16.302 10.479 -1.792 1.00 0.24 O ATOM 1176 CB GLN A 76 18.623 10.380 -3.984 1.00 0.42 C ATOM 1177 CG GLN A 76 17.979 9.241 -4.776 1.00 0.41 C ATOM 1178 CD GLN A 76 18.942 8.054 -4.838 1.00 1.04 C ATOM 1179 OE1 GLN A 76 19.952 8.110 -5.512 1.00 1.76 O ATOM 1180 NE2 GLN A 76 18.670 6.973 -4.159 1.00 1.86 N ATOM 0 H GLN A 76 19.105 12.862 -3.828 1.00 0.43 H new ATOM 0 HA GLN A 76 16.673 11.259 -4.231 1.00 0.33 H new ATOM 0 HB2 GLN A 76 19.407 10.851 -4.577 1.00 0.42 H new ATOM 0 HB3 GLN A 76 19.096 9.989 -3.083 1.00 0.42 H new ATOM 0 HG2 GLN A 76 17.044 8.940 -4.305 1.00 0.41 H new ATOM 0 HG3 GLN A 76 17.734 9.577 -5.784 1.00 0.41 H new ATOM 0 HE21 GLN A 76 17.823 6.926 -3.593 1.00 1.86 H new ATOM 0 HE22 GLN A 76 19.305 6.175 -4.194 1.00 1.86 H new ATOM 1189 N PHE A 77 17.837 11.958 -1.264 1.00 0.48 N ATOM 1190 CA PHE A 77 17.517 11.841 0.186 1.00 0.52 C ATOM 1191 C PHE A 77 16.097 12.355 0.436 1.00 0.50 C ATOM 1192 O PHE A 77 15.385 11.851 1.281 1.00 0.57 O ATOM 1193 CB PHE A 77 18.511 12.674 0.998 1.00 0.63 C ATOM 1194 CG PHE A 77 18.240 12.487 2.471 1.00 0.63 C ATOM 1195 CD1 PHE A 77 18.646 11.312 3.115 1.00 0.60 C ATOM 1196 CD2 PHE A 77 17.581 13.488 3.194 1.00 0.68 C ATOM 1197 CE1 PHE A 77 18.394 11.139 4.480 1.00 0.62 C ATOM 1198 CE2 PHE A 77 17.328 13.315 4.559 1.00 0.70 C ATOM 1199 CZ PHE A 77 17.735 12.140 5.204 1.00 0.67 C ATOM 0 H PHE A 77 18.582 12.617 -1.492 1.00 0.48 H new ATOM 0 HA PHE A 77 17.586 10.797 0.490 1.00 0.52 H new ATOM 0 HB2 PHE A 77 19.532 12.371 0.764 1.00 0.63 H new ATOM 0 HB3 PHE A 77 18.422 13.727 0.732 1.00 0.63 H new ATOM 0 HD1 PHE A 77 19.154 10.539 2.558 1.00 0.60 H new ATOM 0 HD2 PHE A 77 17.268 14.395 2.698 1.00 0.68 H new ATOM 0 HE1 PHE A 77 18.708 10.232 4.976 1.00 0.62 H new ATOM 0 HE2 PHE A 77 16.819 14.088 5.116 1.00 0.70 H new ATOM 0 HZ PHE A 77 17.541 12.006 6.258 1.00 0.67 H new ATOM 1209 N HIS A 78 15.682 13.354 -0.293 1.00 0.55 N ATOM 1210 CA HIS A 78 14.309 13.899 -0.096 1.00 0.61 C ATOM 1211 C HIS A 78 13.305 13.045 -0.875 1.00 0.55 C ATOM 1212 O HIS A 78 12.340 12.550 -0.328 1.00 0.55 O ATOM 1213 CB HIS A 78 14.255 15.341 -0.605 1.00 0.70 C ATOM 1214 CG HIS A 78 12.837 15.840 -0.548 1.00 1.28 C ATOM 1215 ND1 HIS A 78 12.347 16.774 -1.447 1.00 2.21 N ATOM 1216 CD2 HIS A 78 11.794 15.545 0.292 1.00 1.12 C ATOM 1217 CE1 HIS A 78 11.060 17.006 -1.128 1.00 2.58 C ATOM 1218 NE2 HIS A 78 10.672 16.282 -0.075 1.00 1.92 N ATOM 0 H HIS A 78 16.234 13.816 -1.016 1.00 0.55 H new ATOM 0 HA HIS A 78 14.058 13.878 0.965 1.00 0.61 H new ATOM 0 HB2 HIS A 78 14.900 15.977 0.002 1.00 0.70 H new ATOM 0 HB3 HIS A 78 14.629 15.391 -1.628 1.00 0.70 H new ATOM 0 HD2 HIS A 78 11.837 14.846 1.114 1.00 1.12 H new ATOM 0 HE1 HIS A 78 10.419 17.694 -1.659 1.00 2.58 H new ATOM 0 HE2 HIS A 78 9.752 16.271 0.365 1.00 1.92 H new ATOM 1226 N ARG A 79 13.526 12.867 -2.150 1.00 0.52 N ATOM 1227 CA ARG A 79 12.584 12.045 -2.959 1.00 0.48 C ATOM 1228 C ARG A 79 12.299 10.733 -2.228 1.00 0.41 C ATOM 1229 O ARG A 79 11.248 10.143 -2.377 1.00 0.43 O ATOM 1230 CB ARG A 79 13.213 11.742 -4.322 1.00 0.44 C ATOM 1231 CG ARG A 79 12.267 12.203 -5.433 1.00 0.34 C ATOM 1232 CD ARG A 79 12.837 11.789 -6.792 1.00 0.31 C ATOM 1233 NE ARG A 79 13.053 13.003 -7.629 1.00 0.66 N ATOM 1234 CZ ARG A 79 13.798 12.934 -8.698 1.00 0.96 C ATOM 1235 NH1 ARG A 79 14.354 11.801 -9.034 1.00 1.04 N ATOM 1236 NH2 ARG A 79 13.988 13.996 -9.432 1.00 1.39 N ATOM 0 H ARG A 79 14.317 13.255 -2.664 1.00 0.52 H new ATOM 0 HA ARG A 79 11.653 12.593 -3.102 1.00 0.48 H new ATOM 0 HB2 ARG A 79 14.173 12.250 -4.413 1.00 0.44 H new ATOM 0 HB3 ARG A 79 13.408 10.674 -4.415 1.00 0.44 H new ATOM 0 HG2 ARG A 79 11.280 11.763 -5.291 1.00 0.34 H new ATOM 0 HG3 ARG A 79 12.142 13.285 -5.393 1.00 0.34 H new ATOM 0 HD2 ARG A 79 13.778 11.255 -6.657 1.00 0.31 H new ATOM 0 HD3 ARG A 79 12.152 11.105 -7.293 1.00 0.31 H new ATOM 0 HE ARG A 79 12.619 13.888 -7.366 1.00 0.66 H new ATOM 0 HH11 ARG A 79 14.206 10.970 -8.461 1.00 1.04 H new ATOM 0 HH12 ARG A 79 14.936 11.747 -9.870 1.00 1.04 H new ATOM 0 HH21 ARG A 79 13.554 14.881 -9.170 1.00 1.39 H new ATOM 0 HH22 ARG A 79 14.571 13.941 -10.267 1.00 1.39 H new ATOM 1250 N HIS A 80 13.228 10.272 -1.436 1.00 0.36 N ATOM 1251 CA HIS A 80 13.011 8.998 -0.694 1.00 0.30 C ATOM 1252 C HIS A 80 12.157 9.272 0.547 1.00 0.29 C ATOM 1253 O HIS A 80 11.118 8.671 0.741 1.00 0.31 O ATOM 1254 CB HIS A 80 14.361 8.421 -0.266 1.00 0.27 C ATOM 1255 CG HIS A 80 14.140 7.264 0.669 1.00 0.24 C ATOM 1256 ND1 HIS A 80 14.025 5.959 0.215 1.00 0.09 N ATOM 1257 CD2 HIS A 80 14.015 7.198 2.035 1.00 0.37 C ATOM 1258 CE1 HIS A 80 13.837 5.171 1.290 1.00 0.09 C ATOM 1259 NE2 HIS A 80 13.823 5.876 2.424 1.00 0.26 N ATOM 0 H HIS A 80 14.128 10.723 -1.271 1.00 0.36 H new ATOM 0 HA HIS A 80 12.499 8.284 -1.339 1.00 0.30 H new ATOM 0 HB2 HIS A 80 14.922 8.093 -1.141 1.00 0.27 H new ATOM 0 HB3 HIS A 80 14.958 9.190 0.225 1.00 0.27 H new ATOM 0 HD1 HIS A 80 14.074 5.652 -0.756 1.00 0.09 H new ATOM 0 HD2 HIS A 80 14.059 8.044 2.705 1.00 0.37 H new ATOM 0 HE1 HIS A 80 13.713 4.099 1.241 1.00 0.09 H new ATOM 1267 N LYS A 81 12.585 10.173 1.387 1.00 0.26 N ATOM 1268 CA LYS A 81 11.798 10.484 2.612 1.00 0.26 C ATOM 1269 C LYS A 81 10.337 10.731 2.231 1.00 0.26 C ATOM 1270 O LYS A 81 9.427 10.238 2.868 1.00 0.26 O ATOM 1271 CB LYS A 81 12.369 11.736 3.282 1.00 0.26 C ATOM 1272 CG LYS A 81 13.634 11.368 4.058 1.00 0.33 C ATOM 1273 CD LYS A 81 13.274 11.090 5.519 1.00 1.05 C ATOM 1274 CE LYS A 81 14.517 10.602 6.268 1.00 0.88 C ATOM 1275 NZ LYS A 81 14.157 10.296 7.681 1.00 1.80 N ATOM 0 H LYS A 81 13.447 10.708 1.278 1.00 0.26 H new ATOM 0 HA LYS A 81 11.856 9.643 3.304 1.00 0.26 H new ATOM 0 HB2 LYS A 81 12.598 12.491 2.530 1.00 0.26 H new ATOM 0 HB3 LYS A 81 11.630 12.170 3.955 1.00 0.26 H new ATOM 0 HG2 LYS A 81 14.103 10.490 3.614 1.00 0.33 H new ATOM 0 HG3 LYS A 81 14.359 12.180 3.999 1.00 0.33 H new ATOM 0 HD2 LYS A 81 12.886 11.995 5.987 1.00 1.05 H new ATOM 0 HD3 LYS A 81 12.485 10.339 5.574 1.00 1.05 H new ATOM 0 HE2 LYS A 81 14.921 9.713 5.784 1.00 0.88 H new ATOM 0 HE3 LYS A 81 15.296 11.364 6.237 1.00 0.88 H new ATOM 0 HZ1 LYS A 81 15.001 9.964 8.190 1.00 1.80 H new ATOM 0 HZ2 LYS A 81 13.791 11.155 8.140 1.00 1.80 H new ATOM 0 HZ3 LYS A 81 13.427 9.555 7.701 1.00 1.80 H new ATOM 1289 N GLN A 82 10.104 11.492 1.197 1.00 0.28 N ATOM 1290 CA GLN A 82 8.702 11.770 0.777 1.00 0.28 C ATOM 1291 C GLN A 82 7.991 10.451 0.469 1.00 0.28 C ATOM 1292 O GLN A 82 6.834 10.267 0.793 1.00 0.33 O ATOM 1293 CB GLN A 82 8.709 12.651 -0.474 1.00 0.28 C ATOM 1294 CG GLN A 82 7.308 12.675 -1.089 1.00 1.15 C ATOM 1295 CD GLN A 82 7.144 13.941 -1.932 1.00 1.04 C ATOM 1296 OE1 GLN A 82 8.056 14.348 -2.624 1.00 1.01 O ATOM 1297 NE2 GLN A 82 6.009 14.585 -1.905 1.00 1.79 N ATOM 0 H GLN A 82 10.824 11.933 0.625 1.00 0.28 H new ATOM 0 HA GLN A 82 8.177 12.286 1.581 1.00 0.28 H new ATOM 0 HB2 GLN A 82 9.022 13.663 -0.217 1.00 0.28 H new ATOM 0 HB3 GLN A 82 9.429 12.268 -1.197 1.00 0.28 H new ATOM 0 HG2 GLN A 82 7.155 11.791 -1.708 1.00 1.15 H new ATOM 0 HG3 GLN A 82 6.553 12.648 -0.303 1.00 1.15 H new ATOM 0 HE21 GLN A 82 5.243 14.244 -1.324 1.00 1.79 H new ATOM 0 HE22 GLN A 82 5.888 15.429 -2.465 1.00 1.79 H new ATOM 1306 N LEU A 83 8.672 9.531 -0.157 1.00 0.23 N ATOM 1307 CA LEU A 83 8.034 8.225 -0.485 1.00 0.23 C ATOM 1308 C LEU A 83 7.624 7.523 0.812 1.00 0.24 C ATOM 1309 O LEU A 83 6.467 7.226 1.031 1.00 0.23 O ATOM 1310 CB LEU A 83 9.030 7.349 -1.251 1.00 0.23 C ATOM 1311 CG LEU A 83 8.271 6.344 -2.119 1.00 0.24 C ATOM 1312 CD1 LEU A 83 9.269 5.477 -2.888 1.00 0.25 C ATOM 1313 CD2 LEU A 83 7.402 5.452 -1.230 1.00 0.25 C ATOM 0 H LEU A 83 9.643 9.627 -0.456 1.00 0.23 H new ATOM 0 HA LEU A 83 7.152 8.393 -1.103 1.00 0.23 H new ATOM 0 HB2 LEU A 83 9.672 7.971 -1.875 1.00 0.23 H new ATOM 0 HB3 LEU A 83 9.679 6.823 -0.551 1.00 0.23 H new ATOM 0 HG LEU A 83 7.637 6.882 -2.824 1.00 0.24 H new ATOM 0 HD11 LEU A 83 8.728 4.761 -3.506 1.00 0.25 H new ATOM 0 HD12 LEU A 83 9.888 6.111 -3.523 1.00 0.25 H new ATOM 0 HD13 LEU A 83 9.904 4.941 -2.183 1.00 0.25 H new ATOM 0 HD21 LEU A 83 6.862 4.736 -1.850 1.00 0.25 H new ATOM 0 HD22 LEU A 83 8.035 4.915 -0.524 1.00 0.25 H new ATOM 0 HD23 LEU A 83 6.689 6.068 -0.682 1.00 0.25 H new ATOM 1325 N ILE A 84 8.567 7.254 1.673 1.00 0.25 N ATOM 1326 CA ILE A 84 8.234 6.572 2.957 1.00 0.27 C ATOM 1327 C ILE A 84 7.037 7.267 3.609 1.00 0.27 C ATOM 1328 O ILE A 84 6.156 6.628 4.150 1.00 0.29 O ATOM 1329 CB ILE A 84 9.440 6.646 3.899 1.00 0.29 C ATOM 1330 CG1 ILE A 84 10.713 6.261 3.140 1.00 0.31 C ATOM 1331 CG2 ILE A 84 9.236 5.685 5.073 1.00 0.30 C ATOM 1332 CD1 ILE A 84 10.491 4.949 2.383 1.00 0.31 C ATOM 0 H ILE A 84 9.554 7.477 1.543 1.00 0.25 H new ATOM 0 HA ILE A 84 7.986 5.529 2.761 1.00 0.27 H new ATOM 0 HB ILE A 84 9.538 7.664 4.276 1.00 0.29 H new ATOM 0 HG12 ILE A 84 10.984 7.053 2.442 1.00 0.31 H new ATOM 0 HG13 ILE A 84 11.544 6.153 3.837 1.00 0.31 H new ATOM 0 HG21 ILE A 84 10.095 5.740 5.741 1.00 0.30 H new ATOM 0 HG22 ILE A 84 8.334 5.963 5.618 1.00 0.30 H new ATOM 0 HG23 ILE A 84 9.133 4.667 4.696 1.00 0.30 H new ATOM 0 HD11 ILE A 84 11.400 4.681 1.845 1.00 0.31 H new ATOM 0 HD12 ILE A 84 10.241 4.158 3.091 1.00 0.31 H new ATOM 0 HD13 ILE A 84 9.673 5.072 1.673 1.00 0.31 H new ATOM 1344 N ARG A 85 6.997 8.570 3.563 1.00 0.25 N ATOM 1345 CA ARG A 85 5.857 9.303 4.182 1.00 0.25 C ATOM 1346 C ARG A 85 4.537 8.774 3.615 1.00 0.32 C ATOM 1347 O ARG A 85 3.633 8.422 4.347 1.00 0.39 O ATOM 1348 CB ARG A 85 5.982 10.797 3.872 1.00 0.31 C ATOM 1349 CG ARG A 85 6.506 11.533 5.106 1.00 0.34 C ATOM 1350 CD ARG A 85 6.990 12.926 4.702 1.00 1.01 C ATOM 1351 NE ARG A 85 7.324 13.710 5.925 1.00 1.02 N ATOM 1352 CZ ARG A 85 8.030 14.803 5.826 1.00 1.81 C ATOM 1353 NH1 ARG A 85 8.443 15.210 4.657 1.00 2.67 N ATOM 1354 NH2 ARG A 85 8.322 15.490 6.897 1.00 1.98 N ATOM 0 H ARG A 85 7.704 9.159 3.124 1.00 0.25 H new ATOM 0 HA ARG A 85 5.874 9.152 5.261 1.00 0.25 H new ATOM 0 HB2 ARG A 85 6.658 10.949 3.031 1.00 0.31 H new ATOM 0 HB3 ARG A 85 5.013 11.201 3.579 1.00 0.31 H new ATOM 0 HG2 ARG A 85 5.719 11.613 5.856 1.00 0.34 H new ATOM 0 HG3 ARG A 85 7.322 10.970 5.559 1.00 0.34 H new ATOM 0 HD2 ARG A 85 7.866 12.846 4.058 1.00 1.01 H new ATOM 0 HD3 ARG A 85 6.218 13.439 4.128 1.00 1.01 H new ATOM 0 HE ARG A 85 7.001 13.392 6.839 1.00 1.02 H new ATOM 0 HH11 ARG A 85 8.214 14.674 3.820 1.00 2.67 H new ATOM 0 HH12 ARG A 85 8.995 16.064 4.580 1.00 2.67 H new ATOM 0 HH21 ARG A 85 7.998 15.172 7.811 1.00 1.98 H new ATOM 0 HH22 ARG A 85 8.874 16.344 6.820 1.00 1.98 H new ATOM 1368 N PHE A 86 4.420 8.715 2.317 1.00 0.36 N ATOM 1369 CA PHE A 86 3.158 8.210 1.705 1.00 0.45 C ATOM 1370 C PHE A 86 2.858 6.805 2.231 1.00 0.42 C ATOM 1371 O PHE A 86 1.772 6.525 2.696 1.00 0.51 O ATOM 1372 CB PHE A 86 3.313 8.162 0.184 1.00 0.50 C ATOM 1373 CG PHE A 86 3.107 9.545 -0.387 1.00 0.43 C ATOM 1374 CD1 PHE A 86 1.823 10.104 -0.420 1.00 0.48 C ATOM 1375 CD2 PHE A 86 4.198 10.268 -0.884 1.00 0.46 C ATOM 1376 CE1 PHE A 86 1.632 11.387 -0.950 1.00 0.48 C ATOM 1377 CE2 PHE A 86 4.005 11.549 -1.413 1.00 0.39 C ATOM 1378 CZ PHE A 86 2.723 12.109 -1.446 1.00 0.35 C ATOM 0 H PHE A 86 5.143 8.994 1.654 1.00 0.36 H new ATOM 0 HA PHE A 86 2.337 8.877 1.967 1.00 0.45 H new ATOM 0 HB2 PHE A 86 4.304 7.792 -0.080 1.00 0.50 H new ATOM 0 HB3 PHE A 86 2.589 7.469 -0.244 1.00 0.50 H new ATOM 0 HD1 PHE A 86 0.981 9.547 -0.037 1.00 0.48 H new ATOM 0 HD2 PHE A 86 5.188 9.837 -0.859 1.00 0.46 H new ATOM 0 HE1 PHE A 86 0.642 11.819 -0.976 1.00 0.48 H new ATOM 0 HE2 PHE A 86 4.847 12.106 -1.796 1.00 0.39 H new ATOM 0 HZ PHE A 86 2.576 13.098 -1.854 1.00 0.35 H new ATOM 1388 N LEU A 87 3.811 5.916 2.159 1.00 0.34 N ATOM 1389 CA LEU A 87 3.576 4.530 2.654 1.00 0.35 C ATOM 1390 C LEU A 87 3.144 4.578 4.121 1.00 0.39 C ATOM 1391 O LEU A 87 2.235 3.886 4.532 1.00 0.57 O ATOM 1392 CB LEU A 87 4.865 3.715 2.527 1.00 0.27 C ATOM 1393 CG LEU A 87 5.452 3.898 1.126 1.00 0.26 C ATOM 1394 CD1 LEU A 87 6.679 2.998 0.965 1.00 0.21 C ATOM 1395 CD2 LEU A 87 4.402 3.519 0.080 1.00 0.55 C ATOM 0 H LEU A 87 4.742 6.090 1.779 1.00 0.34 H new ATOM 0 HA LEU A 87 2.792 4.061 2.060 1.00 0.35 H new ATOM 0 HB2 LEU A 87 5.586 4.036 3.279 1.00 0.27 H new ATOM 0 HB3 LEU A 87 4.660 2.660 2.712 1.00 0.27 H new ATOM 0 HG LEU A 87 5.744 4.939 0.988 1.00 0.26 H new ATOM 0 HD11 LEU A 87 7.097 3.128 -0.033 1.00 0.21 H new ATOM 0 HD12 LEU A 87 7.428 3.267 1.710 1.00 0.21 H new ATOM 0 HD13 LEU A 87 6.387 1.957 1.103 1.00 0.21 H new ATOM 0 HD21 LEU A 87 4.820 3.649 -0.918 1.00 0.55 H new ATOM 0 HD22 LEU A 87 4.110 2.478 0.218 1.00 0.55 H new ATOM 0 HD23 LEU A 87 3.527 4.159 0.194 1.00 0.55 H new ATOM 1407 N LYS A 88 3.791 5.388 4.913 1.00 0.23 N ATOM 1408 CA LYS A 88 3.417 5.476 6.353 1.00 0.26 C ATOM 1409 C LYS A 88 2.023 6.092 6.483 1.00 0.30 C ATOM 1410 O LYS A 88 1.392 6.012 7.518 1.00 0.30 O ATOM 1411 CB LYS A 88 4.433 6.352 7.090 1.00 0.24 C ATOM 1412 CG LYS A 88 5.797 5.661 7.094 1.00 0.93 C ATOM 1413 CD LYS A 88 6.175 5.286 8.529 1.00 1.23 C ATOM 1414 CE LYS A 88 6.422 6.558 9.341 1.00 0.52 C ATOM 1415 NZ LYS A 88 7.857 6.624 9.736 1.00 0.99 N ATOM 0 H LYS A 88 4.561 5.992 4.626 1.00 0.23 H new ATOM 0 HA LYS A 88 3.413 4.477 6.789 1.00 0.26 H new ATOM 0 HB2 LYS A 88 4.508 7.325 6.605 1.00 0.24 H new ATOM 0 HB3 LYS A 88 4.101 6.530 8.113 1.00 0.24 H new ATOM 0 HG2 LYS A 88 5.766 4.768 6.470 1.00 0.93 H new ATOM 0 HG3 LYS A 88 6.552 6.322 6.668 1.00 0.93 H new ATOM 0 HD2 LYS A 88 5.377 4.700 8.985 1.00 1.23 H new ATOM 0 HD3 LYS A 88 7.069 4.662 8.530 1.00 1.23 H new ATOM 0 HE2 LYS A 88 6.155 7.436 8.752 1.00 0.52 H new ATOM 0 HE3 LYS A 88 5.789 6.565 10.228 1.00 0.52 H new ATOM 0 HZ1 LYS A 88 8.026 7.489 10.288 1.00 0.99 H new ATOM 0 HZ2 LYS A 88 8.097 5.793 10.313 1.00 0.99 H new ATOM 0 HZ3 LYS A 88 8.452 6.637 8.883 1.00 0.99 H new ATOM 1429 N ARG A 89 1.536 6.708 5.440 1.00 0.35 N ATOM 1430 CA ARG A 89 0.182 7.328 5.506 1.00 0.39 C ATOM 1431 C ARG A 89 -0.872 6.306 5.073 1.00 0.38 C ATOM 1432 O ARG A 89 -1.662 5.841 5.871 1.00 0.40 O ATOM 1433 CB ARG A 89 0.131 8.540 4.573 1.00 0.39 C ATOM 1434 CG ARG A 89 -1.288 9.111 4.555 1.00 0.63 C ATOM 1435 CD ARG A 89 -1.225 10.635 4.436 1.00 0.49 C ATOM 1436 NE ARG A 89 -0.970 11.228 5.778 1.00 1.40 N ATOM 1437 CZ ARG A 89 -0.584 12.470 5.880 1.00 1.76 C ATOM 1438 NH1 ARG A 89 -0.420 13.193 4.806 1.00 1.29 N ATOM 1439 NH2 ARG A 89 -0.360 12.990 7.056 1.00 2.66 N ATOM 0 H ARG A 89 2.017 6.809 4.546 1.00 0.35 H new ATOM 0 HA ARG A 89 -0.021 7.646 6.528 1.00 0.39 H new ATOM 0 HB2 ARG A 89 0.836 9.300 4.909 1.00 0.39 H new ATOM 0 HB3 ARG A 89 0.430 8.250 3.566 1.00 0.39 H new ATOM 0 HG2 ARG A 89 -1.849 8.693 3.719 1.00 0.63 H new ATOM 0 HG3 ARG A 89 -1.816 8.829 5.466 1.00 0.63 H new ATOM 0 HD2 ARG A 89 -0.435 10.924 3.743 1.00 0.49 H new ATOM 0 HD3 ARG A 89 -2.161 11.018 4.030 1.00 0.49 H new ATOM 0 HE ARG A 89 -1.097 10.663 6.618 1.00 1.40 H new ATOM 0 HH11 ARG A 89 -0.594 12.787 3.887 1.00 1.29 H new ATOM 0 HH12 ARG A 89 -0.118 14.164 4.886 1.00 1.29 H new ATOM 0 HH21 ARG A 89 -0.487 12.425 7.896 1.00 2.66 H new ATOM 0 HH22 ARG A 89 -0.058 13.961 7.135 1.00 2.66 H new ATOM 1453 N LEU A 90 -0.892 5.956 3.817 1.00 0.34 N ATOM 1454 CA LEU A 90 -1.897 4.967 3.336 1.00 0.33 C ATOM 1455 C LEU A 90 -1.798 3.689 4.172 1.00 0.34 C ATOM 1456 O LEU A 90 -2.688 2.862 4.166 1.00 0.43 O ATOM 1457 CB LEU A 90 -1.630 4.638 1.865 1.00 0.32 C ATOM 1458 CG LEU A 90 -0.219 4.066 1.715 1.00 0.31 C ATOM 1459 CD1 LEU A 90 -0.300 2.551 1.522 1.00 0.31 C ATOM 1460 CD2 LEU A 90 0.457 4.698 0.495 1.00 0.30 C ATOM 0 H LEU A 90 -0.256 6.312 3.103 1.00 0.34 H new ATOM 0 HA LEU A 90 -2.897 5.390 3.436 1.00 0.33 H new ATOM 0 HB2 LEU A 90 -2.365 3.919 1.503 1.00 0.32 H new ATOM 0 HB3 LEU A 90 -1.736 5.536 1.256 1.00 0.32 H new ATOM 0 HG LEU A 90 0.361 4.288 2.611 1.00 0.31 H new ATOM 0 HD11 LEU A 90 0.705 2.144 1.415 1.00 0.31 H new ATOM 0 HD12 LEU A 90 -0.784 2.099 2.388 1.00 0.31 H new ATOM 0 HD13 LEU A 90 -0.879 2.329 0.625 1.00 0.31 H new ATOM 0 HD21 LEU A 90 1.463 4.292 0.385 1.00 0.30 H new ATOM 0 HD22 LEU A 90 -0.124 4.474 -0.400 1.00 0.30 H new ATOM 0 HD23 LEU A 90 0.514 5.778 0.630 1.00 0.30 H new ATOM 1472 N ASP A 91 -0.724 3.521 4.893 1.00 0.35 N ATOM 1473 CA ASP A 91 -0.572 2.296 5.729 1.00 0.36 C ATOM 1474 C ASP A 91 -1.507 2.386 6.937 1.00 0.33 C ATOM 1475 O ASP A 91 -2.085 1.406 7.361 1.00 0.36 O ATOM 1476 CB ASP A 91 0.875 2.182 6.211 1.00 0.38 C ATOM 1477 CG ASP A 91 0.947 1.203 7.385 1.00 0.37 C ATOM 1478 OD1 ASP A 91 1.017 0.011 7.132 1.00 1.12 O ATOM 1479 OD2 ASP A 91 0.930 1.660 8.515 1.00 1.20 O ATOM 0 H ASP A 91 0.055 4.178 4.940 1.00 0.35 H new ATOM 0 HA ASP A 91 -0.826 1.417 5.136 1.00 0.36 H new ATOM 0 HB2 ASP A 91 1.514 1.839 5.398 1.00 0.38 H new ATOM 0 HB3 ASP A 91 1.246 3.160 6.516 1.00 0.38 H new ATOM 1484 N ARG A 92 -1.658 3.556 7.495 1.00 0.30 N ATOM 1485 CA ARG A 92 -2.554 3.708 8.676 1.00 0.31 C ATOM 1486 C ARG A 92 -4.009 3.769 8.206 1.00 0.39 C ATOM 1487 O ARG A 92 -4.917 3.376 8.911 1.00 0.46 O ATOM 1488 CB ARG A 92 -2.204 4.998 9.421 1.00 0.22 C ATOM 1489 CG ARG A 92 -0.840 4.844 10.096 1.00 0.20 C ATOM 1490 CD ARG A 92 -1.037 4.549 11.585 1.00 0.57 C ATOM 1491 NE ARG A 92 -1.532 5.775 12.272 1.00 1.53 N ATOM 1492 CZ ARG A 92 -2.050 5.689 13.466 1.00 2.09 C ATOM 1493 NH1 ARG A 92 -2.135 4.530 14.060 1.00 1.82 N ATOM 1494 NH2 ARG A 92 -2.483 6.763 14.068 1.00 3.12 N ATOM 0 H ARG A 92 -1.200 4.413 7.184 1.00 0.30 H new ATOM 0 HA ARG A 92 -2.422 2.857 9.344 1.00 0.31 H new ATOM 0 HB2 ARG A 92 -2.185 5.838 8.726 1.00 0.22 H new ATOM 0 HB3 ARG A 92 -2.968 5.218 10.167 1.00 0.22 H new ATOM 0 HG2 ARG A 92 -0.279 4.037 9.626 1.00 0.20 H new ATOM 0 HG3 ARG A 92 -0.255 5.755 9.969 1.00 0.20 H new ATOM 0 HD2 ARG A 92 -1.749 3.734 11.714 1.00 0.57 H new ATOM 0 HD3 ARG A 92 -0.097 4.224 12.030 1.00 0.57 H new ATOM 0 HE ARG A 92 -1.466 6.681 11.809 1.00 1.53 H new ATOM 0 HH11 ARG A 92 -1.796 3.690 13.591 1.00 1.82 H new ATOM 0 HH12 ARG A 92 -2.540 4.464 14.994 1.00 1.82 H new ATOM 0 HH21 ARG A 92 -2.416 7.669 13.605 1.00 3.12 H new ATOM 0 HH22 ARG A 92 -2.888 6.696 15.002 1.00 3.12 H new ATOM 1508 N ASN A 93 -4.238 4.261 7.019 1.00 0.42 N ATOM 1509 CA ASN A 93 -5.634 4.348 6.504 1.00 0.50 C ATOM 1510 C ASN A 93 -6.172 2.938 6.252 1.00 0.48 C ATOM 1511 O ASN A 93 -7.162 2.527 6.827 1.00 0.72 O ATOM 1512 CB ASN A 93 -5.648 5.141 5.197 1.00 0.50 C ATOM 1513 CG ASN A 93 -5.416 6.623 5.497 1.00 0.78 C ATOM 1514 OD1 ASN A 93 -6.356 7.378 5.650 1.00 2.14 O ATOM 1515 ND2 ASN A 93 -4.195 7.074 5.589 1.00 0.68 N ATOM 0 H ASN A 93 -3.519 4.606 6.384 1.00 0.42 H new ATOM 0 HA ASN A 93 -6.262 4.851 7.239 1.00 0.50 H new ATOM 0 HB2 ASN A 93 -4.874 4.769 4.525 1.00 0.50 H new ATOM 0 HB3 ASN A 93 -6.603 5.007 4.688 1.00 0.50 H new ATOM 0 HD21 ASN A 93 -4.029 8.060 5.789 1.00 0.68 H new ATOM 0 HD22 ASN A 93 -3.406 6.440 5.461 1.00 0.68 H new ATOM 1522 N LEU A 94 -5.530 2.192 5.395 1.00 0.26 N ATOM 1523 CA LEU A 94 -6.006 0.809 5.105 1.00 0.25 C ATOM 1524 C LEU A 94 -6.251 0.073 6.423 1.00 0.32 C ATOM 1525 O LEU A 94 -7.312 -0.473 6.654 1.00 0.52 O ATOM 1526 CB LEU A 94 -4.945 0.058 4.292 1.00 0.17 C ATOM 1527 CG LEU A 94 -4.633 0.822 2.998 1.00 0.09 C ATOM 1528 CD1 LEU A 94 -3.271 0.376 2.465 1.00 0.27 C ATOM 1529 CD2 LEU A 94 -5.705 0.530 1.940 1.00 0.38 C ATOM 0 H LEU A 94 -4.696 2.480 4.883 1.00 0.26 H new ATOM 0 HA LEU A 94 -6.932 0.856 4.532 1.00 0.25 H new ATOM 0 HB2 LEU A 94 -4.037 -0.057 4.883 1.00 0.17 H new ATOM 0 HB3 LEU A 94 -5.300 -0.945 4.055 1.00 0.17 H new ATOM 0 HG LEU A 94 -4.621 1.891 3.211 1.00 0.09 H new ATOM 0 HD11 LEU A 94 -3.045 0.916 1.546 1.00 0.27 H new ATOM 0 HD12 LEU A 94 -2.502 0.588 3.208 1.00 0.27 H new ATOM 0 HD13 LEU A 94 -3.293 -0.694 2.261 1.00 0.27 H new ATOM 0 HD21 LEU A 94 -5.473 1.077 1.026 1.00 0.38 H new ATOM 0 HD22 LEU A 94 -5.725 -0.539 1.727 1.00 0.38 H new ATOM 0 HD23 LEU A 94 -6.680 0.844 2.313 1.00 0.38 H new ATOM 1541 N TRP A 95 -5.276 0.052 7.292 1.00 0.17 N ATOM 1542 CA TRP A 95 -5.454 -0.649 8.595 1.00 0.24 C ATOM 1543 C TRP A 95 -6.397 0.162 9.486 1.00 0.31 C ATOM 1544 O TRP A 95 -6.832 -0.295 10.525 1.00 0.38 O ATOM 1545 CB TRP A 95 -4.096 -0.793 9.286 1.00 0.35 C ATOM 1546 CG TRP A 95 -4.301 -1.228 10.701 1.00 0.28 C ATOM 1547 CD1 TRP A 95 -4.512 -0.396 11.747 1.00 0.31 C ATOM 1548 CD2 TRP A 95 -4.316 -2.580 11.244 1.00 0.25 C ATOM 1549 NE1 TRP A 95 -4.656 -1.152 12.897 1.00 0.31 N ATOM 1550 CE2 TRP A 95 -4.543 -2.503 12.638 1.00 0.26 C ATOM 1551 CE3 TRP A 95 -4.157 -3.854 10.668 1.00 0.29 C ATOM 1552 CZ2 TRP A 95 -4.611 -3.648 13.433 1.00 0.29 C ATOM 1553 CZ3 TRP A 95 -4.224 -5.008 11.464 1.00 0.31 C ATOM 1554 CH2 TRP A 95 -4.450 -4.905 12.845 1.00 0.30 C ATOM 0 H TRP A 95 -4.365 0.490 7.155 1.00 0.17 H new ATOM 0 HA TRP A 95 -5.880 -1.637 8.421 1.00 0.24 H new ATOM 0 HB2 TRP A 95 -3.482 -1.521 8.756 1.00 0.35 H new ATOM 0 HB3 TRP A 95 -3.560 0.156 9.260 1.00 0.35 H new ATOM 0 HD1 TRP A 95 -4.560 0.682 11.693 1.00 0.31 H new ATOM 0 HE1 TRP A 95 -4.825 -0.759 13.823 1.00 0.31 H new ATOM 0 HE3 TRP A 95 -3.982 -3.944 9.606 1.00 0.29 H new ATOM 0 HZ2 TRP A 95 -4.787 -3.563 14.495 1.00 0.29 H new ATOM 0 HZ3 TRP A 95 -4.101 -5.981 11.011 1.00 0.31 H new ATOM 0 HH2 TRP A 95 -4.499 -5.796 13.453 1.00 0.30 H new ATOM 1565 N GLY A 96 -6.717 1.363 9.088 1.00 0.34 N ATOM 1566 CA GLY A 96 -7.631 2.203 9.912 1.00 0.46 C ATOM 1567 C GLY A 96 -9.071 1.717 9.738 1.00 0.49 C ATOM 1568 O GLY A 96 -9.660 1.155 10.639 1.00 0.56 O ATOM 0 H GLY A 96 -6.385 1.799 8.228 1.00 0.34 H new ATOM 0 HA2 GLY A 96 -7.343 2.150 10.962 1.00 0.46 H new ATOM 0 HA3 GLY A 96 -7.550 3.248 9.612 1.00 0.46 H new ATOM 1572 N LEU A 97 -9.644 1.930 8.584 1.00 0.47 N ATOM 1573 CA LEU A 97 -11.047 1.480 8.356 1.00 0.56 C ATOM 1574 C LEU A 97 -11.139 -0.035 8.546 1.00 0.48 C ATOM 1575 O LEU A 97 -12.196 -0.621 8.433 1.00 0.51 O ATOM 1576 CB LEU A 97 -11.491 1.856 6.935 1.00 0.62 C ATOM 1577 CG LEU A 97 -10.436 1.421 5.902 1.00 0.54 C ATOM 1578 CD1 LEU A 97 -10.395 -0.107 5.773 1.00 0.46 C ATOM 1579 CD2 LEU A 97 -10.788 2.027 4.541 1.00 0.65 C ATOM 0 H LEU A 97 -9.202 2.395 7.791 1.00 0.47 H new ATOM 0 HA LEU A 97 -11.703 1.972 9.074 1.00 0.56 H new ATOM 0 HB2 LEU A 97 -12.446 1.381 6.709 1.00 0.62 H new ATOM 0 HB3 LEU A 97 -11.648 2.933 6.871 1.00 0.62 H new ATOM 0 HG LEU A 97 -9.458 1.770 6.234 1.00 0.54 H new ATOM 0 HD11 LEU A 97 -9.642 -0.390 5.037 1.00 0.46 H new ATOM 0 HD12 LEU A 97 -10.143 -0.547 6.738 1.00 0.46 H new ATOM 0 HD13 LEU A 97 -11.371 -0.471 5.452 1.00 0.46 H new ATOM 0 HD21 LEU A 97 -10.045 1.723 3.804 1.00 0.65 H new ATOM 0 HD22 LEU A 97 -11.772 1.676 4.230 1.00 0.65 H new ATOM 0 HD23 LEU A 97 -10.798 3.114 4.619 1.00 0.65 H new ATOM 1591 N ALA A 98 -10.038 -0.675 8.831 1.00 0.38 N ATOM 1592 CA ALA A 98 -10.064 -2.152 9.027 1.00 0.30 C ATOM 1593 C ALA A 98 -10.578 -2.472 10.432 1.00 0.30 C ATOM 1594 O ALA A 98 -11.687 -2.939 10.606 1.00 0.29 O ATOM 1595 CB ALA A 98 -8.651 -2.714 8.860 1.00 0.25 C ATOM 0 H ALA A 98 -9.122 -0.239 8.937 1.00 0.38 H new ATOM 0 HA ALA A 98 -10.724 -2.605 8.287 1.00 0.30 H new ATOM 0 HB1 ALA A 98 -8.670 -3.794 9.003 1.00 0.25 H new ATOM 0 HB2 ALA A 98 -8.285 -2.487 7.859 1.00 0.25 H new ATOM 0 HB3 ALA A 98 -7.990 -2.261 9.599 1.00 0.25 H new ATOM 1601 N GLY A 99 -9.782 -2.226 11.435 1.00 0.39 N ATOM 1602 CA GLY A 99 -10.226 -2.517 12.828 1.00 0.43 C ATOM 1603 C GLY A 99 -10.012 -4.001 13.133 1.00 0.41 C ATOM 1604 O GLY A 99 -10.458 -4.508 14.143 1.00 0.77 O ATOM 0 H GLY A 99 -8.843 -1.836 11.351 1.00 0.39 H new ATOM 0 HA2 GLY A 99 -9.666 -1.905 13.535 1.00 0.43 H new ATOM 0 HA3 GLY A 99 -11.278 -2.259 12.947 1.00 0.43 H new ATOM 1608 N LEU A 100 -9.331 -4.701 12.267 1.00 0.39 N ATOM 1609 CA LEU A 100 -9.089 -6.151 12.508 1.00 0.43 C ATOM 1610 C LEU A 100 -7.854 -6.321 13.396 1.00 0.57 C ATOM 1611 O LEU A 100 -6.736 -6.339 12.923 1.00 1.17 O ATOM 1612 CB LEU A 100 -8.857 -6.859 11.171 1.00 0.51 C ATOM 1613 CG LEU A 100 -10.035 -7.789 10.873 1.00 0.55 C ATOM 1614 CD1 LEU A 100 -9.925 -8.306 9.437 1.00 0.78 C ATOM 1615 CD2 LEU A 100 -10.008 -8.973 11.844 1.00 0.45 C ATOM 0 H LEU A 100 -8.932 -4.331 11.404 1.00 0.39 H new ATOM 0 HA LEU A 100 -9.956 -6.587 13.004 1.00 0.43 H new ATOM 0 HB2 LEU A 100 -8.749 -6.125 10.373 1.00 0.51 H new ATOM 0 HB3 LEU A 100 -7.929 -7.430 11.206 1.00 0.51 H new ATOM 0 HG LEU A 100 -10.970 -7.242 10.992 1.00 0.55 H new ATOM 0 HD11 LEU A 100 -10.764 -8.969 9.224 1.00 0.78 H new ATOM 0 HD12 LEU A 100 -9.942 -7.464 8.745 1.00 0.78 H new ATOM 0 HD13 LEU A 100 -8.990 -8.854 9.318 1.00 0.78 H new ATOM 0 HD21 LEU A 100 -10.847 -9.636 11.633 1.00 0.45 H new ATOM 0 HD22 LEU A 100 -9.073 -9.521 11.724 1.00 0.45 H new ATOM 0 HD23 LEU A 100 -10.085 -8.606 12.867 1.00 0.45 H new ATOM 1627 N ASN A 101 -8.048 -6.446 14.681 1.00 0.25 N ATOM 1628 CA ASN A 101 -6.886 -6.614 15.597 1.00 0.42 C ATOM 1629 C ASN A 101 -6.169 -7.928 15.276 1.00 0.26 C ATOM 1630 O ASN A 101 -4.979 -7.953 15.032 1.00 0.36 O ATOM 1631 CB ASN A 101 -7.378 -6.642 17.045 1.00 0.64 C ATOM 1632 CG ASN A 101 -6.229 -6.265 17.983 1.00 1.48 C ATOM 1633 OD1 ASN A 101 -6.453 -5.874 19.111 1.00 1.35 O ATOM 1634 ND2 ASN A 101 -4.999 -6.365 17.560 1.00 2.79 N ATOM 0 H ASN A 101 -8.961 -6.439 15.135 1.00 0.25 H new ATOM 0 HA ASN A 101 -6.195 -5.781 15.464 1.00 0.42 H new ATOM 0 HB2 ASN A 101 -8.208 -5.947 17.172 1.00 0.64 H new ATOM 0 HB3 ASN A 101 -7.753 -7.635 17.293 1.00 0.64 H new ATOM 0 HD21 ASN A 101 -4.226 -6.115 18.176 1.00 2.79 H new ATOM 0 HD22 ASN A 101 -4.811 -6.693 16.613 1.00 2.79 H new ATOM 1641 N SER A 102 -6.883 -9.020 15.275 1.00 0.39 N ATOM 1642 CA SER A 102 -6.242 -10.329 14.971 1.00 0.56 C ATOM 1643 C SER A 102 -6.164 -10.520 13.455 1.00 0.49 C ATOM 1644 O SER A 102 -7.170 -10.586 12.776 1.00 0.50 O ATOM 1645 CB SER A 102 -7.071 -11.458 15.585 1.00 0.87 C ATOM 1646 OG SER A 102 -7.197 -11.241 16.984 1.00 1.28 O ATOM 0 H SER A 102 -7.883 -9.062 15.472 1.00 0.39 H new ATOM 0 HA SER A 102 -5.236 -10.347 15.391 1.00 0.56 H new ATOM 0 HB2 SER A 102 -8.057 -11.495 15.121 1.00 0.87 H new ATOM 0 HB3 SER A 102 -6.594 -12.419 15.396 1.00 0.87 H new ATOM 0 HG SER A 102 -7.729 -11.962 17.380 1.00 1.28 H new ATOM 1652 N CYS A 103 -4.978 -10.610 12.919 1.00 0.43 N ATOM 1653 CA CYS A 103 -4.837 -10.796 11.447 1.00 0.37 C ATOM 1654 C CYS A 103 -3.407 -11.240 11.116 1.00 0.29 C ATOM 1655 O CYS A 103 -2.661 -10.497 10.511 1.00 0.29 O ATOM 1656 CB CYS A 103 -5.127 -9.469 10.744 1.00 0.41 C ATOM 1657 SG CYS A 103 -4.992 -9.692 8.953 1.00 0.27 S ATOM 0 H CYS A 103 -4.100 -10.563 13.437 1.00 0.43 H new ATOM 0 HA CYS A 103 -5.540 -11.558 11.109 1.00 0.37 H new ATOM 0 HB2 CYS A 103 -6.126 -9.119 11.003 1.00 0.41 H new ATOM 0 HB3 CYS A 103 -4.425 -8.706 11.080 1.00 0.41 H new ATOM 1662 N PRO A 104 -3.057 -12.439 11.525 1.00 0.24 N ATOM 1663 CA PRO A 104 -1.709 -12.981 11.275 1.00 0.19 C ATOM 1664 C PRO A 104 -1.465 -13.124 9.770 1.00 0.15 C ATOM 1665 O PRO A 104 -2.371 -13.400 9.009 1.00 0.10 O ATOM 1666 CB PRO A 104 -1.703 -14.357 11.954 1.00 0.16 C ATOM 1667 CG PRO A 104 -3.099 -14.575 12.588 1.00 0.18 C ATOM 1668 CD PRO A 104 -3.961 -13.344 12.263 1.00 0.25 C ATOM 0 HA PRO A 104 -0.924 -12.331 11.662 1.00 0.19 H new ATOM 0 HB2 PRO A 104 -1.486 -15.141 11.228 1.00 0.16 H new ATOM 0 HB3 PRO A 104 -0.925 -14.404 12.716 1.00 0.16 H new ATOM 0 HG2 PRO A 104 -3.561 -15.480 12.193 1.00 0.18 H new ATOM 0 HG3 PRO A 104 -3.012 -14.706 13.667 1.00 0.18 H new ATOM 0 HD2 PRO A 104 -4.828 -13.615 11.661 1.00 0.25 H new ATOM 0 HD3 PRO A 104 -4.338 -12.873 13.171 1.00 0.25 H new ATOM 1676 N VAL A 105 -0.245 -12.940 9.340 1.00 0.25 N ATOM 1677 CA VAL A 105 0.068 -13.065 7.887 1.00 0.26 C ATOM 1678 C VAL A 105 0.661 -14.447 7.610 1.00 0.46 C ATOM 1679 O VAL A 105 1.487 -14.938 8.353 1.00 0.86 O ATOM 1680 CB VAL A 105 1.081 -11.988 7.492 1.00 0.51 C ATOM 1681 CG1 VAL A 105 2.456 -12.352 8.052 1.00 0.66 C ATOM 1682 CG2 VAL A 105 1.161 -11.900 5.966 1.00 0.63 C ATOM 0 H VAL A 105 0.550 -12.708 9.935 1.00 0.25 H new ATOM 0 HA VAL A 105 -0.845 -12.939 7.305 1.00 0.26 H new ATOM 0 HB VAL A 105 0.766 -11.026 7.897 1.00 0.51 H new ATOM 0 HG11 VAL A 105 3.178 -11.585 7.771 1.00 0.66 H new ATOM 0 HG12 VAL A 105 2.401 -12.417 9.139 1.00 0.66 H new ATOM 0 HG13 VAL A 105 2.771 -13.313 7.646 1.00 0.66 H new ATOM 0 HG21 VAL A 105 1.882 -11.133 5.683 1.00 0.63 H new ATOM 0 HG22 VAL A 105 1.477 -12.862 5.562 1.00 0.63 H new ATOM 0 HG23 VAL A 105 0.181 -11.642 5.565 1.00 0.63 H new ATOM 1692 N LYS A 106 0.248 -15.079 6.546 1.00 0.27 N ATOM 1693 CA LYS A 106 0.791 -16.429 6.225 1.00 0.54 C ATOM 1694 C LYS A 106 2.001 -16.284 5.298 1.00 0.67 C ATOM 1695 O LYS A 106 3.018 -15.736 5.672 1.00 0.75 O ATOM 1696 CB LYS A 106 -0.288 -17.262 5.530 1.00 0.63 C ATOM 1697 CG LYS A 106 -1.329 -17.711 6.558 1.00 1.23 C ATOM 1698 CD LYS A 106 -2.495 -18.396 5.841 1.00 1.33 C ATOM 1699 CE LYS A 106 -1.982 -19.620 5.081 1.00 0.42 C ATOM 1700 NZ LYS A 106 -3.089 -20.604 4.920 1.00 0.76 N ATOM 0 H LYS A 106 -0.441 -14.719 5.886 1.00 0.27 H new ATOM 0 HA LYS A 106 1.096 -16.927 7.146 1.00 0.54 H new ATOM 0 HB2 LYS A 106 -0.766 -16.675 4.745 1.00 0.63 H new ATOM 0 HB3 LYS A 106 0.162 -18.131 5.049 1.00 0.63 H new ATOM 0 HG2 LYS A 106 -0.876 -18.397 7.274 1.00 1.23 H new ATOM 0 HG3 LYS A 106 -1.690 -16.852 7.124 1.00 1.23 H new ATOM 0 HD2 LYS A 106 -3.254 -18.696 6.564 1.00 1.33 H new ATOM 0 HD3 LYS A 106 -2.970 -17.699 5.150 1.00 1.33 H new ATOM 0 HE2 LYS A 106 -1.601 -19.322 4.104 1.00 0.42 H new ATOM 0 HE3 LYS A 106 -1.152 -20.075 5.621 1.00 0.42 H new ATOM 0 HZ1 LYS A 106 -2.741 -21.437 4.403 1.00 0.76 H new ATOM 0 HZ2 LYS A 106 -3.432 -20.897 5.857 1.00 0.76 H new ATOM 0 HZ3 LYS A 106 -3.868 -20.166 4.387 1.00 0.76 H new ATOM 1714 N GLU A 107 1.899 -16.771 4.092 1.00 0.73 N ATOM 1715 CA GLU A 107 3.044 -16.660 3.145 1.00 0.89 C ATOM 1716 C GLU A 107 2.517 -16.622 1.709 1.00 0.53 C ATOM 1717 O GLU A 107 1.341 -16.807 1.464 1.00 0.39 O ATOM 1718 CB GLU A 107 3.969 -17.867 3.317 1.00 1.41 C ATOM 1719 CG GLU A 107 4.601 -17.834 4.709 1.00 1.68 C ATOM 1720 CD GLU A 107 5.768 -18.822 4.764 1.00 1.97 C ATOM 1721 OE1 GLU A 107 6.785 -18.541 4.151 1.00 2.70 O ATOM 1722 OE2 GLU A 107 5.624 -19.842 5.417 1.00 1.94 O ATOM 0 H GLU A 107 1.073 -17.241 3.722 1.00 0.73 H new ATOM 0 HA GLU A 107 3.599 -15.745 3.353 1.00 0.89 H new ATOM 0 HB2 GLU A 107 3.406 -18.791 3.184 1.00 1.41 H new ATOM 0 HB3 GLU A 107 4.746 -17.854 2.553 1.00 1.41 H new ATOM 0 HG2 GLU A 107 4.952 -16.827 4.937 1.00 1.68 H new ATOM 0 HG3 GLU A 107 3.858 -18.091 5.464 1.00 1.68 H new ATOM 1729 N ALA A 108 3.378 -16.386 0.758 1.00 0.59 N ATOM 1730 CA ALA A 108 2.925 -16.338 -0.662 1.00 0.38 C ATOM 1731 C ALA A 108 4.144 -16.240 -1.582 1.00 0.39 C ATOM 1732 O ALA A 108 5.263 -16.485 -1.174 1.00 0.45 O ATOM 1733 CB ALA A 108 2.030 -15.115 -0.871 1.00 0.40 C ATOM 0 H ALA A 108 4.375 -16.224 0.902 1.00 0.59 H new ATOM 0 HA ALA A 108 2.364 -17.243 -0.895 1.00 0.38 H new ATOM 0 HB1 ALA A 108 1.699 -15.080 -1.909 1.00 0.40 H new ATOM 0 HB2 ALA A 108 1.162 -15.183 -0.215 1.00 0.40 H new ATOM 0 HB3 ALA A 108 2.591 -14.210 -0.638 1.00 0.40 H new ATOM 1739 N ASP A 109 3.938 -15.883 -2.820 1.00 0.35 N ATOM 1740 CA ASP A 109 5.086 -15.771 -3.763 1.00 0.39 C ATOM 1741 C ASP A 109 5.753 -14.404 -3.594 1.00 0.33 C ATOM 1742 O ASP A 109 6.106 -14.007 -2.502 1.00 0.30 O ATOM 1743 CB ASP A 109 4.582 -15.919 -5.200 1.00 0.40 C ATOM 1744 CG ASP A 109 3.785 -17.218 -5.331 1.00 0.33 C ATOM 1745 OD1 ASP A 109 3.238 -17.658 -4.333 1.00 0.69 O ATOM 1746 OD2 ASP A 109 3.734 -17.751 -6.427 1.00 0.94 O ATOM 0 H ASP A 109 3.025 -15.664 -3.219 1.00 0.35 H new ATOM 0 HA ASP A 109 5.810 -16.557 -3.549 1.00 0.39 H new ATOM 0 HB2 ASP A 109 3.956 -15.067 -5.466 1.00 0.40 H new ATOM 0 HB3 ASP A 109 5.423 -15.925 -5.893 1.00 0.40 H new ATOM 1751 N GLN A 110 5.926 -13.682 -4.668 1.00 0.36 N ATOM 1752 CA GLN A 110 6.570 -12.340 -4.573 1.00 0.32 C ATOM 1753 C GLN A 110 5.921 -11.392 -5.584 1.00 0.27 C ATOM 1754 O GLN A 110 5.271 -11.817 -6.519 1.00 0.27 O ATOM 1755 CB GLN A 110 8.064 -12.466 -4.881 1.00 0.45 C ATOM 1756 CG GLN A 110 8.730 -13.370 -3.842 1.00 1.09 C ATOM 1757 CD GLN A 110 8.527 -14.835 -4.233 1.00 2.19 C ATOM 1758 OE1 GLN A 110 8.721 -15.204 -5.373 1.00 2.77 O ATOM 1759 NE2 GLN A 110 8.139 -15.691 -3.328 1.00 3.23 N ATOM 0 H GLN A 110 5.649 -13.964 -5.608 1.00 0.36 H new ATOM 0 HA GLN A 110 6.439 -11.945 -3.565 1.00 0.32 H new ATOM 0 HB2 GLN A 110 8.206 -12.878 -5.880 1.00 0.45 H new ATOM 0 HB3 GLN A 110 8.531 -11.481 -4.873 1.00 0.45 H new ATOM 0 HG2 GLN A 110 9.794 -13.144 -3.777 1.00 1.09 H new ATOM 0 HG3 GLN A 110 8.304 -13.184 -2.856 1.00 1.09 H new ATOM 0 HE21 GLN A 110 7.976 -15.381 -2.370 1.00 3.23 H new ATOM 0 HE22 GLN A 110 7.999 -16.670 -3.579 1.00 3.23 H new ATOM 1768 N SER A 111 6.093 -10.112 -5.405 1.00 0.28 N ATOM 1769 CA SER A 111 5.488 -9.137 -6.355 1.00 0.34 C ATOM 1770 C SER A 111 6.288 -7.833 -6.323 1.00 0.37 C ATOM 1771 O SER A 111 6.457 -7.222 -5.287 1.00 0.82 O ATOM 1772 CB SER A 111 4.041 -8.857 -5.945 1.00 0.39 C ATOM 1773 OG SER A 111 4.031 -8.129 -4.725 1.00 0.72 O ATOM 0 H SER A 111 6.627 -9.698 -4.641 1.00 0.28 H new ATOM 0 HA SER A 111 5.506 -9.551 -7.363 1.00 0.34 H new ATOM 0 HB2 SER A 111 3.533 -8.289 -6.725 1.00 0.39 H new ATOM 0 HB3 SER A 111 3.497 -9.794 -5.827 1.00 0.39 H new ATOM 0 HG SER A 111 3.693 -8.702 -4.005 1.00 0.72 H new ATOM 1779 N THR A 112 6.784 -7.403 -7.451 1.00 0.27 N ATOM 1780 CA THR A 112 7.573 -6.140 -7.485 1.00 0.24 C ATOM 1781 C THR A 112 6.714 -4.986 -6.966 1.00 0.23 C ATOM 1782 O THR A 112 5.568 -4.833 -7.343 1.00 0.27 O ATOM 1783 CB THR A 112 8.005 -5.847 -8.924 1.00 0.22 C ATOM 1784 OG1 THR A 112 6.872 -5.909 -9.779 1.00 0.20 O ATOM 1785 CG2 THR A 112 9.041 -6.881 -9.369 1.00 0.18 C ATOM 0 H THR A 112 6.677 -7.872 -8.350 1.00 0.27 H new ATOM 0 HA THR A 112 8.456 -6.247 -6.855 1.00 0.24 H new ATOM 0 HB THR A 112 8.445 -4.851 -8.976 1.00 0.22 H new ATOM 0 HG1 THR A 112 7.147 -5.720 -10.700 1.00 0.20 H new ATOM 0 HG21 THR A 112 9.348 -6.671 -10.394 1.00 0.18 H new ATOM 0 HG22 THR A 112 9.910 -6.831 -8.713 1.00 0.18 H new ATOM 0 HG23 THR A 112 8.605 -7.879 -9.318 1.00 0.18 H new ATOM 1793 N LEU A 113 7.256 -4.173 -6.102 1.00 0.25 N ATOM 1794 CA LEU A 113 6.471 -3.028 -5.557 1.00 0.24 C ATOM 1795 C LEU A 113 5.778 -2.295 -6.709 1.00 0.29 C ATOM 1796 O LEU A 113 4.726 -1.711 -6.542 1.00 0.28 O ATOM 1797 CB LEU A 113 7.417 -2.066 -4.829 1.00 0.32 C ATOM 1798 CG LEU A 113 6.617 -0.930 -4.178 1.00 0.24 C ATOM 1799 CD1 LEU A 113 5.673 -1.494 -3.112 1.00 0.14 C ATOM 1800 CD2 LEU A 113 7.586 0.058 -3.523 1.00 0.45 C ATOM 0 H LEU A 113 8.210 -4.252 -5.749 1.00 0.25 H new ATOM 0 HA LEU A 113 5.720 -3.396 -4.858 1.00 0.24 H new ATOM 0 HB2 LEU A 113 7.982 -2.605 -4.069 1.00 0.32 H new ATOM 0 HB3 LEU A 113 8.141 -1.655 -5.532 1.00 0.32 H new ATOM 0 HG LEU A 113 6.029 -0.423 -4.943 1.00 0.24 H new ATOM 0 HD11 LEU A 113 5.110 -0.679 -2.656 1.00 0.14 H new ATOM 0 HD12 LEU A 113 4.982 -2.199 -3.574 1.00 0.14 H new ATOM 0 HD13 LEU A 113 6.254 -2.006 -2.345 1.00 0.14 H new ATOM 0 HD21 LEU A 113 7.022 0.867 -3.059 1.00 0.45 H new ATOM 0 HD22 LEU A 113 8.173 -0.458 -2.763 1.00 0.45 H new ATOM 0 HD23 LEU A 113 8.254 0.469 -4.280 1.00 0.45 H new ATOM 1812 N GLU A 114 6.359 -2.321 -7.878 1.00 0.34 N ATOM 1813 CA GLU A 114 5.732 -1.626 -9.037 1.00 0.41 C ATOM 1814 C GLU A 114 4.457 -2.364 -9.447 1.00 0.39 C ATOM 1815 O GLU A 114 3.358 -1.926 -9.170 1.00 0.40 O ATOM 1816 CB GLU A 114 6.711 -1.609 -10.213 1.00 0.48 C ATOM 1817 CG GLU A 114 6.126 -0.774 -11.353 1.00 0.50 C ATOM 1818 CD GLU A 114 7.039 0.421 -11.632 1.00 1.36 C ATOM 1819 OE1 GLU A 114 7.033 1.345 -10.834 1.00 2.71 O ATOM 1820 OE2 GLU A 114 7.729 0.393 -12.638 1.00 1.25 O ATOM 0 H GLU A 114 7.240 -2.793 -8.080 1.00 0.34 H new ATOM 0 HA GLU A 114 5.485 -0.603 -8.755 1.00 0.41 H new ATOM 0 HB2 GLU A 114 7.668 -1.193 -9.897 1.00 0.48 H new ATOM 0 HB3 GLU A 114 6.903 -2.626 -10.555 1.00 0.48 H new ATOM 0 HG2 GLU A 114 6.025 -1.385 -12.250 1.00 0.50 H new ATOM 0 HG3 GLU A 114 5.127 -0.428 -11.089 1.00 0.50 H new ATOM 1827 N ASN A 115 4.592 -3.484 -10.106 1.00 0.39 N ATOM 1828 CA ASN A 115 3.387 -4.247 -10.533 1.00 0.41 C ATOM 1829 C ASN A 115 2.449 -4.427 -9.338 1.00 0.36 C ATOM 1830 O ASN A 115 1.256 -4.216 -9.435 1.00 0.41 O ATOM 1831 CB ASN A 115 3.812 -5.620 -11.058 1.00 0.43 C ATOM 1832 CG ASN A 115 4.497 -5.458 -12.416 1.00 0.47 C ATOM 1833 OD1 ASN A 115 4.679 -4.353 -12.889 1.00 1.54 O ATOM 1834 ND2 ASN A 115 4.887 -6.519 -13.068 1.00 1.04 N ATOM 0 H ASN A 115 5.485 -3.902 -10.366 1.00 0.39 H new ATOM 0 HA ASN A 115 2.871 -3.700 -11.322 1.00 0.41 H new ATOM 0 HB2 ASN A 115 4.491 -6.097 -10.351 1.00 0.43 H new ATOM 0 HB3 ASN A 115 2.942 -6.270 -11.153 1.00 0.43 H new ATOM 0 HD21 ASN A 115 5.345 -6.421 -13.974 1.00 1.04 H new ATOM 0 HD22 ASN A 115 4.734 -7.446 -12.671 1.00 1.04 H new ATOM 1841 N PHE A 116 2.977 -4.815 -8.210 1.00 0.29 N ATOM 1842 CA PHE A 116 2.116 -5.007 -7.010 1.00 0.28 C ATOM 1843 C PHE A 116 1.205 -3.790 -6.837 1.00 0.26 C ATOM 1844 O PHE A 116 0.030 -3.917 -6.556 1.00 0.25 O ATOM 1845 CB PHE A 116 2.997 -5.164 -5.769 1.00 0.26 C ATOM 1846 CG PHE A 116 2.133 -5.147 -4.531 1.00 0.24 C ATOM 1847 CD1 PHE A 116 1.846 -3.934 -3.894 1.00 0.30 C ATOM 1848 CD2 PHE A 116 1.618 -6.345 -4.021 1.00 0.25 C ATOM 1849 CE1 PHE A 116 1.044 -3.919 -2.746 1.00 0.28 C ATOM 1850 CE2 PHE A 116 0.816 -6.330 -2.873 1.00 0.26 C ATOM 1851 CZ PHE A 116 0.529 -5.116 -2.236 1.00 0.23 C ATOM 0 H PHE A 116 3.969 -5.007 -8.068 1.00 0.29 H new ATOM 0 HA PHE A 116 1.508 -5.902 -7.139 1.00 0.28 H new ATOM 0 HB2 PHE A 116 3.555 -6.099 -5.823 1.00 0.26 H new ATOM 0 HB3 PHE A 116 3.729 -4.357 -5.725 1.00 0.26 H new ATOM 0 HD1 PHE A 116 2.243 -3.010 -4.288 1.00 0.30 H new ATOM 0 HD2 PHE A 116 1.839 -7.281 -4.513 1.00 0.25 H new ATOM 0 HE1 PHE A 116 0.823 -2.983 -2.254 1.00 0.28 H new ATOM 0 HE2 PHE A 116 0.419 -7.254 -2.479 1.00 0.26 H new ATOM 0 HZ PHE A 116 -0.090 -5.104 -1.351 1.00 0.23 H new ATOM 1861 N LEU A 117 1.739 -2.611 -7.003 1.00 0.24 N ATOM 1862 CA LEU A 117 0.903 -1.387 -6.849 1.00 0.22 C ATOM 1863 C LEU A 117 -0.128 -1.327 -7.979 1.00 0.18 C ATOM 1864 O LEU A 117 -1.231 -0.850 -7.801 1.00 0.25 O ATOM 1865 CB LEU A 117 1.799 -0.148 -6.910 1.00 0.21 C ATOM 1866 CG LEU A 117 2.175 0.286 -5.492 1.00 0.16 C ATOM 1867 CD1 LEU A 117 3.425 1.168 -5.542 1.00 0.22 C ATOM 1868 CD2 LEU A 117 1.022 1.080 -4.872 1.00 0.24 C ATOM 0 H LEU A 117 2.717 -2.442 -7.238 1.00 0.24 H new ATOM 0 HA LEU A 117 0.388 -1.417 -5.889 1.00 0.22 H new ATOM 0 HB2 LEU A 117 2.699 -0.366 -7.485 1.00 0.21 H new ATOM 0 HB3 LEU A 117 1.281 0.662 -7.424 1.00 0.21 H new ATOM 0 HG LEU A 117 2.374 -0.599 -4.887 1.00 0.16 H new ATOM 0 HD11 LEU A 117 3.693 1.477 -4.532 1.00 0.22 H new ATOM 0 HD12 LEU A 117 4.250 0.606 -5.980 1.00 0.22 H new ATOM 0 HD13 LEU A 117 3.224 2.050 -6.150 1.00 0.22 H new ATOM 0 HD21 LEU A 117 1.294 1.387 -3.862 1.00 0.24 H new ATOM 0 HD22 LEU A 117 0.821 1.963 -5.478 1.00 0.24 H new ATOM 0 HD23 LEU A 117 0.129 0.455 -4.834 1.00 0.24 H new ATOM 1880 N GLU A 118 0.223 -1.807 -9.141 1.00 0.27 N ATOM 1881 CA GLU A 118 -0.737 -1.775 -10.280 1.00 0.23 C ATOM 1882 C GLU A 118 -1.960 -2.629 -9.941 1.00 0.23 C ATOM 1883 O GLU A 118 -3.048 -2.122 -9.752 1.00 0.23 O ATOM 1884 CB GLU A 118 -0.058 -2.332 -11.534 1.00 0.23 C ATOM 1885 CG GLU A 118 -0.985 -2.157 -12.737 1.00 0.14 C ATOM 1886 CD GLU A 118 -0.211 -2.445 -14.025 1.00 1.09 C ATOM 1887 OE1 GLU A 118 0.449 -3.469 -14.080 1.00 2.08 O ATOM 1888 OE2 GLU A 118 -0.291 -1.635 -14.933 1.00 1.17 O ATOM 0 H GLU A 118 1.132 -2.219 -9.350 1.00 0.27 H new ATOM 0 HA GLU A 118 -1.051 -0.747 -10.462 1.00 0.23 H new ATOM 0 HB2 GLU A 118 0.885 -1.815 -11.710 1.00 0.23 H new ATOM 0 HB3 GLU A 118 0.178 -3.387 -11.394 1.00 0.23 H new ATOM 0 HG2 GLU A 118 -1.837 -2.832 -12.654 1.00 0.14 H new ATOM 0 HG3 GLU A 118 -1.383 -1.142 -12.758 1.00 0.14 H new ATOM 1895 N ARG A 119 -1.791 -3.921 -9.863 1.00 0.28 N ATOM 1896 CA ARG A 119 -2.946 -4.804 -9.538 1.00 0.27 C ATOM 1897 C ARG A 119 -3.703 -4.234 -8.336 1.00 0.28 C ATOM 1898 O ARG A 119 -4.910 -4.341 -8.243 1.00 0.26 O ATOM 1899 CB ARG A 119 -2.436 -6.208 -9.199 1.00 0.27 C ATOM 1900 CG ARG A 119 -1.471 -6.128 -8.014 1.00 0.30 C ATOM 1901 CD ARG A 119 -0.849 -7.505 -7.770 1.00 0.07 C ATOM 1902 NE ARG A 119 -0.035 -7.899 -8.954 1.00 1.53 N ATOM 1903 CZ ARG A 119 0.820 -8.881 -8.861 1.00 1.74 C ATOM 1904 NH1 ARG A 119 0.961 -9.518 -7.730 1.00 0.98 N ATOM 1905 NH2 ARG A 119 1.533 -9.225 -9.897 1.00 3.01 N ATOM 0 H ARG A 119 -0.904 -4.402 -10.010 1.00 0.28 H new ATOM 0 HA ARG A 119 -3.615 -4.857 -10.397 1.00 0.27 H new ATOM 0 HB2 ARG A 119 -3.274 -6.862 -8.956 1.00 0.27 H new ATOM 0 HB3 ARG A 119 -1.933 -6.642 -10.063 1.00 0.27 H new ATOM 0 HG2 ARG A 119 -0.690 -5.395 -8.216 1.00 0.30 H new ATOM 0 HG3 ARG A 119 -2.000 -5.793 -7.122 1.00 0.30 H new ATOM 0 HD2 ARG A 119 -0.224 -7.481 -6.877 1.00 0.07 H new ATOM 0 HD3 ARG A 119 -1.631 -8.243 -7.591 1.00 0.07 H new ATOM 0 HE ARG A 119 -0.146 -7.401 -9.837 1.00 1.53 H new ATOM 0 HH11 ARG A 119 0.403 -9.248 -6.920 1.00 0.98 H new ATOM 0 HH12 ARG A 119 1.629 -10.285 -7.657 1.00 0.98 H new ATOM 0 HH21 ARG A 119 1.423 -8.727 -10.780 1.00 3.01 H new ATOM 0 HH22 ARG A 119 2.201 -9.992 -9.824 1.00 3.01 H new ATOM 1919 N LEU A 120 -3.005 -3.628 -7.416 1.00 0.30 N ATOM 1920 CA LEU A 120 -3.685 -3.051 -6.223 1.00 0.31 C ATOM 1921 C LEU A 120 -4.589 -1.899 -6.666 1.00 0.31 C ATOM 1922 O LEU A 120 -5.786 -1.918 -6.453 1.00 0.29 O ATOM 1923 CB LEU A 120 -2.630 -2.529 -5.240 1.00 0.34 C ATOM 1924 CG LEU A 120 -3.234 -2.413 -3.836 1.00 0.36 C ATOM 1925 CD1 LEU A 120 -2.143 -1.996 -2.849 1.00 0.39 C ATOM 1926 CD2 LEU A 120 -4.349 -1.362 -3.829 1.00 0.35 C ATOM 0 H LEU A 120 -1.992 -3.507 -7.439 1.00 0.30 H new ATOM 0 HA LEU A 120 -4.286 -3.818 -5.735 1.00 0.31 H new ATOM 0 HB2 LEU A 120 -1.773 -3.202 -5.222 1.00 0.34 H new ATOM 0 HB3 LEU A 120 -2.264 -1.556 -5.569 1.00 0.34 H new ATOM 0 HG LEU A 120 -3.649 -3.378 -3.545 1.00 0.36 H new ATOM 0 HD11 LEU A 120 -2.569 -1.913 -1.849 1.00 0.39 H new ATOM 0 HD12 LEU A 120 -1.351 -2.745 -2.844 1.00 0.39 H new ATOM 0 HD13 LEU A 120 -1.730 -1.033 -3.149 1.00 0.39 H new ATOM 0 HD21 LEU A 120 -4.772 -1.287 -2.827 1.00 0.35 H new ATOM 0 HD22 LEU A 120 -3.940 -0.396 -4.124 1.00 0.35 H new ATOM 0 HD23 LEU A 120 -5.129 -1.655 -4.531 1.00 0.35 H new ATOM 1938 N LYS A 121 -4.029 -0.895 -7.283 1.00 0.32 N ATOM 1939 CA LYS A 121 -4.859 0.255 -7.740 1.00 0.33 C ATOM 1940 C LYS A 121 -6.099 -0.268 -8.468 1.00 0.24 C ATOM 1941 O LYS A 121 -7.182 0.269 -8.334 1.00 0.30 O ATOM 1942 CB LYS A 121 -4.038 1.129 -8.692 1.00 0.40 C ATOM 1943 CG LYS A 121 -4.780 2.443 -8.949 1.00 0.39 C ATOM 1944 CD LYS A 121 -3.877 3.394 -9.737 1.00 0.49 C ATOM 1945 CE LYS A 121 -3.496 2.749 -11.071 1.00 0.60 C ATOM 1946 NZ LYS A 121 -2.288 1.896 -10.884 1.00 2.07 N ATOM 0 H LYS A 121 -3.033 -0.821 -7.490 1.00 0.32 H new ATOM 0 HA LYS A 121 -5.167 0.847 -6.878 1.00 0.33 H new ATOM 0 HB2 LYS A 121 -3.057 1.331 -8.262 1.00 0.40 H new ATOM 0 HB3 LYS A 121 -3.871 0.603 -9.632 1.00 0.40 H new ATOM 0 HG2 LYS A 121 -5.698 2.252 -9.505 1.00 0.39 H new ATOM 0 HG3 LYS A 121 -5.070 2.900 -8.003 1.00 0.39 H new ATOM 0 HD2 LYS A 121 -4.391 4.339 -9.912 1.00 0.49 H new ATOM 0 HD3 LYS A 121 -2.980 3.621 -9.161 1.00 0.49 H new ATOM 0 HE2 LYS A 121 -4.324 2.148 -11.446 1.00 0.60 H new ATOM 0 HE3 LYS A 121 -3.298 3.519 -11.816 1.00 0.60 H new ATOM 0 HZ1 LYS A 121 -1.568 2.154 -11.589 1.00 2.07 H new ATOM 0 HZ2 LYS A 121 -1.905 2.042 -9.928 1.00 2.07 H new ATOM 0 HZ3 LYS A 121 -2.547 0.896 -11.005 1.00 2.07 H new ATOM 1960 N THR A 122 -5.952 -1.310 -9.240 1.00 0.14 N ATOM 1961 CA THR A 122 -7.124 -1.863 -9.974 1.00 0.14 C ATOM 1962 C THR A 122 -8.140 -2.416 -8.973 1.00 0.08 C ATOM 1963 O THR A 122 -9.322 -2.150 -9.066 1.00 0.09 O ATOM 1964 CB THR A 122 -6.663 -2.986 -10.907 1.00 0.24 C ATOM 1965 OG1 THR A 122 -5.444 -2.610 -11.532 1.00 0.32 O ATOM 1966 CG2 THR A 122 -7.731 -3.233 -11.973 1.00 0.22 C ATOM 0 H THR A 122 -5.072 -1.801 -9.394 1.00 0.14 H new ATOM 0 HA THR A 122 -7.588 -1.071 -10.562 1.00 0.14 H new ATOM 0 HB THR A 122 -6.509 -3.899 -10.331 1.00 0.24 H new ATOM 0 HG1 THR A 122 -5.147 -3.329 -12.128 1.00 0.32 H new ATOM 0 HG21 THR A 122 -7.404 -4.032 -12.638 1.00 0.22 H new ATOM 0 HG22 THR A 122 -8.666 -3.521 -11.492 1.00 0.22 H new ATOM 0 HG23 THR A 122 -7.886 -2.322 -12.551 1.00 0.22 H new ATOM 1974 N ILE A 123 -7.691 -3.182 -8.015 1.00 0.17 N ATOM 1975 CA ILE A 123 -8.637 -3.745 -7.012 1.00 0.29 C ATOM 1976 C ILE A 123 -9.547 -2.629 -6.501 1.00 0.21 C ATOM 1977 O ILE A 123 -10.745 -2.794 -6.387 1.00 0.17 O ATOM 1978 CB ILE A 123 -7.852 -4.343 -5.842 1.00 0.55 C ATOM 1979 CG1 ILE A 123 -7.201 -5.655 -6.286 1.00 0.73 C ATOM 1980 CG2 ILE A 123 -8.803 -4.616 -4.676 1.00 0.60 C ATOM 1981 CD1 ILE A 123 -6.188 -6.106 -5.233 1.00 0.96 C ATOM 0 H ILE A 123 -6.713 -3.441 -7.885 1.00 0.17 H new ATOM 0 HA ILE A 123 -9.239 -4.527 -7.475 1.00 0.29 H new ATOM 0 HB ILE A 123 -7.081 -3.641 -5.524 1.00 0.55 H new ATOM 0 HG12 ILE A 123 -7.963 -6.422 -6.425 1.00 0.73 H new ATOM 0 HG13 ILE A 123 -6.706 -5.520 -7.248 1.00 0.73 H new ATOM 0 HG21 ILE A 123 -8.244 -5.042 -3.843 1.00 0.60 H new ATOM 0 HG22 ILE A 123 -9.269 -3.683 -4.361 1.00 0.60 H new ATOM 0 HG23 ILE A 123 -9.574 -5.318 -4.992 1.00 0.60 H new ATOM 0 HD11 ILE A 123 -5.725 -7.040 -5.550 1.00 0.96 H new ATOM 0 HD12 ILE A 123 -5.420 -5.342 -5.116 1.00 0.96 H new ATOM 0 HD13 ILE A 123 -6.696 -6.258 -4.281 1.00 0.96 H new ATOM 1993 N MET A 124 -8.989 -1.488 -6.201 1.00 0.35 N ATOM 1994 CA MET A 124 -9.827 -0.360 -5.708 1.00 0.53 C ATOM 1995 C MET A 124 -10.878 -0.022 -6.766 1.00 0.54 C ATOM 1996 O MET A 124 -12.065 -0.073 -6.514 1.00 0.63 O ATOM 1997 CB MET A 124 -8.942 0.864 -5.458 1.00 0.66 C ATOM 1998 CG MET A 124 -8.334 0.779 -4.057 1.00 0.86 C ATOM 1999 SD MET A 124 -7.780 -0.915 -3.742 1.00 1.97 S ATOM 2000 CE MET A 124 -7.054 -0.615 -2.111 1.00 1.64 C ATOM 0 H MET A 124 -7.991 -1.289 -6.276 1.00 0.35 H new ATOM 0 HA MET A 124 -10.318 -0.645 -4.777 1.00 0.53 H new ATOM 0 HB2 MET A 124 -8.151 0.913 -6.206 1.00 0.66 H new ATOM 0 HB3 MET A 124 -9.530 1.777 -5.556 1.00 0.66 H new ATOM 0 HG2 MET A 124 -7.495 1.469 -3.970 1.00 0.86 H new ATOM 0 HG3 MET A 124 -9.070 1.077 -3.311 1.00 0.86 H new ATOM 0 HE1 MET A 124 -6.565 -1.523 -1.758 1.00 1.64 H new ATOM 0 HE2 MET A 124 -6.321 0.188 -2.181 1.00 1.64 H new ATOM 0 HE3 MET A 124 -7.839 -0.330 -1.410 1.00 1.64 H new ATOM 2010 N ARG A 125 -10.449 0.314 -7.952 1.00 0.51 N ATOM 2011 CA ARG A 125 -11.422 0.647 -9.030 1.00 0.67 C ATOM 2012 C ARG A 125 -12.497 -0.440 -9.090 1.00 0.52 C ATOM 2013 O ARG A 125 -13.572 -0.235 -9.617 1.00 0.73 O ATOM 2014 CB ARG A 125 -10.690 0.713 -10.374 1.00 0.81 C ATOM 2015 CG ARG A 125 -9.887 2.018 -10.468 1.00 1.01 C ATOM 2016 CD ARG A 125 -10.831 3.224 -10.544 1.00 0.93 C ATOM 2017 NE ARG A 125 -10.995 3.811 -9.184 1.00 2.01 N ATOM 2018 CZ ARG A 125 -11.501 5.007 -9.045 1.00 3.00 C ATOM 2019 NH1 ARG A 125 -11.862 5.688 -10.098 1.00 3.10 N ATOM 2020 NH2 ARG A 125 -11.647 5.519 -7.855 1.00 4.52 N ATOM 0 H ARG A 125 -9.467 0.372 -8.221 1.00 0.51 H new ATOM 0 HA ARG A 125 -11.886 1.611 -8.821 1.00 0.67 H new ATOM 0 HB2 ARG A 125 -10.023 -0.143 -10.477 1.00 0.81 H new ATOM 0 HB3 ARG A 125 -11.408 0.658 -11.192 1.00 0.81 H new ATOM 0 HG2 ARG A 125 -9.234 2.114 -9.600 1.00 1.01 H new ATOM 0 HG3 ARG A 125 -9.245 1.995 -11.349 1.00 1.01 H new ATOM 0 HD2 ARG A 125 -10.430 3.971 -11.229 1.00 0.93 H new ATOM 0 HD3 ARG A 125 -11.800 2.917 -10.939 1.00 0.93 H new ATOM 0 HE ARG A 125 -10.712 3.278 -8.361 1.00 2.01 H new ATOM 0 HH11 ARG A 125 -11.749 5.286 -11.029 1.00 3.10 H new ATOM 0 HH12 ARG A 125 -12.257 6.622 -9.990 1.00 3.10 H new ATOM 0 HH21 ARG A 125 -11.366 4.986 -7.032 1.00 4.52 H new ATOM 0 HH22 ARG A 125 -12.042 6.453 -7.747 1.00 4.52 H new ATOM 2034 N GLU A 126 -12.211 -1.596 -8.556 1.00 0.16 N ATOM 2035 CA GLU A 126 -13.214 -2.697 -8.582 1.00 0.10 C ATOM 2036 C GLU A 126 -14.089 -2.623 -7.329 1.00 0.13 C ATOM 2037 O GLU A 126 -15.298 -2.718 -7.398 1.00 0.24 O ATOM 2038 CB GLU A 126 -12.488 -4.045 -8.617 1.00 0.14 C ATOM 2039 CG GLU A 126 -13.159 -4.959 -9.644 1.00 0.08 C ATOM 2040 CD GLU A 126 -12.638 -6.387 -9.472 1.00 0.64 C ATOM 2041 OE1 GLU A 126 -11.634 -6.555 -8.800 1.00 1.73 O ATOM 2042 OE2 GLU A 126 -13.253 -7.291 -10.016 1.00 1.37 O ATOM 0 H GLU A 126 -11.326 -1.825 -8.103 1.00 0.16 H new ATOM 0 HA GLU A 126 -13.841 -2.596 -9.468 1.00 0.10 H new ATOM 0 HB2 GLU A 126 -11.439 -3.899 -8.875 1.00 0.14 H new ATOM 0 HB3 GLU A 126 -12.512 -4.509 -7.631 1.00 0.14 H new ATOM 0 HG2 GLU A 126 -14.241 -4.937 -9.514 1.00 0.08 H new ATOM 0 HG3 GLU A 126 -12.952 -4.604 -10.653 1.00 0.08 H new ATOM 2049 N LYS A 127 -13.486 -2.453 -6.183 1.00 0.31 N ATOM 2050 CA LYS A 127 -14.284 -2.375 -4.927 1.00 0.47 C ATOM 2051 C LYS A 127 -14.662 -0.917 -4.648 1.00 0.59 C ATOM 2052 O LYS A 127 -15.242 -0.602 -3.630 1.00 0.94 O ATOM 2053 CB LYS A 127 -13.454 -2.917 -3.762 1.00 0.47 C ATOM 2054 CG LYS A 127 -12.970 -4.330 -4.093 1.00 0.28 C ATOM 2055 CD LYS A 127 -13.212 -5.248 -2.894 1.00 0.42 C ATOM 2056 CE LYS A 127 -12.685 -6.649 -3.208 1.00 0.75 C ATOM 2057 NZ LYS A 127 -13.822 -7.611 -3.240 1.00 2.02 N ATOM 0 H LYS A 127 -12.477 -2.365 -6.063 1.00 0.31 H new ATOM 0 HA LYS A 127 -15.191 -2.970 -5.037 1.00 0.47 H new ATOM 0 HB2 LYS A 127 -12.602 -2.264 -3.574 1.00 0.47 H new ATOM 0 HB3 LYS A 127 -14.052 -2.930 -2.851 1.00 0.47 H new ATOM 0 HG2 LYS A 127 -13.497 -4.711 -4.968 1.00 0.28 H new ATOM 0 HG3 LYS A 127 -11.909 -4.313 -4.343 1.00 0.28 H new ATOM 0 HD2 LYS A 127 -12.712 -4.850 -2.011 1.00 0.42 H new ATOM 0 HD3 LYS A 127 -14.277 -5.292 -2.665 1.00 0.42 H new ATOM 0 HE2 LYS A 127 -12.168 -6.648 -4.168 1.00 0.75 H new ATOM 0 HE3 LYS A 127 -11.958 -6.953 -2.455 1.00 0.75 H new ATOM 0 HZ1 LYS A 127 -13.466 -8.575 -3.079 1.00 2.02 H new ATOM 0 HZ2 LYS A 127 -14.505 -7.366 -2.495 1.00 2.02 H new ATOM 0 HZ3 LYS A 127 -14.290 -7.565 -4.168 1.00 2.02 H new ATOM 2071 N TYR A 128 -14.338 -0.027 -5.545 1.00 0.39 N ATOM 2072 CA TYR A 128 -14.680 1.407 -5.327 1.00 0.49 C ATOM 2073 C TYR A 128 -16.169 1.623 -5.604 1.00 0.48 C ATOM 2074 O TYR A 128 -16.608 2.724 -5.872 1.00 0.56 O ATOM 2075 CB TYR A 128 -13.853 2.281 -6.271 1.00 0.51 C ATOM 2076 CG TYR A 128 -14.192 3.735 -6.039 1.00 0.66 C ATOM 2077 CD1 TYR A 128 -13.887 4.335 -4.811 1.00 0.69 C ATOM 2078 CD2 TYR A 128 -14.811 4.483 -7.049 1.00 0.77 C ATOM 2079 CE1 TYR A 128 -14.200 5.681 -4.593 1.00 0.82 C ATOM 2080 CE2 TYR A 128 -15.123 5.831 -6.830 1.00 0.91 C ATOM 2081 CZ TYR A 128 -14.818 6.430 -5.602 1.00 0.93 C ATOM 2082 OH TYR A 128 -15.126 7.758 -5.387 1.00 1.07 O ATOM 0 H TYR A 128 -13.852 -0.230 -6.418 1.00 0.39 H new ATOM 0 HA TYR A 128 -14.458 1.680 -4.295 1.00 0.49 H new ATOM 0 HB2 TYR A 128 -12.790 2.113 -6.101 1.00 0.51 H new ATOM 0 HB3 TYR A 128 -14.057 2.010 -7.307 1.00 0.51 H new ATOM 0 HD1 TYR A 128 -13.410 3.759 -4.032 1.00 0.69 H new ATOM 0 HD2 TYR A 128 -15.048 4.021 -7.996 1.00 0.77 H new ATOM 0 HE1 TYR A 128 -13.965 6.143 -3.646 1.00 0.82 H new ATOM 0 HE2 TYR A 128 -15.599 6.408 -7.609 1.00 0.91 H new ATOM 0 HH TYR A 128 -14.299 8.283 -5.345 1.00 1.07 H new ATOM 2092 N SER A 129 -16.951 0.580 -5.542 1.00 0.79 N ATOM 2093 CA SER A 129 -18.411 0.726 -5.802 1.00 1.07 C ATOM 2094 C SER A 129 -19.083 1.363 -4.584 1.00 1.41 C ATOM 2095 O SER A 129 -18.909 0.923 -3.465 1.00 2.03 O ATOM 2096 CB SER A 129 -19.024 -0.651 -6.060 1.00 1.52 C ATOM 2097 OG SER A 129 -19.914 -0.569 -7.165 1.00 1.16 O ATOM 0 H SER A 129 -16.642 -0.367 -5.323 1.00 0.79 H new ATOM 0 HA SER A 129 -18.563 1.360 -6.675 1.00 1.07 H new ATOM 0 HB2 SER A 129 -18.239 -1.379 -6.264 1.00 1.52 H new ATOM 0 HB3 SER A 129 -19.557 -0.997 -5.174 1.00 1.52 H new ATOM 0 HG SER A 129 -20.307 -1.450 -7.334 1.00 1.16 H new ATOM 2103 N LYS A 130 -19.851 2.397 -4.792 1.00 1.23 N ATOM 2104 CA LYS A 130 -20.533 3.061 -3.646 1.00 1.67 C ATOM 2105 C LYS A 130 -21.759 3.824 -4.154 1.00 1.31 C ATOM 2106 O LYS A 130 -22.372 3.448 -5.133 1.00 1.02 O ATOM 2107 CB LYS A 130 -19.564 4.037 -2.973 1.00 2.16 C ATOM 2108 CG LYS A 130 -19.150 5.118 -3.973 1.00 2.18 C ATOM 2109 CD LYS A 130 -17.975 5.917 -3.405 1.00 2.66 C ATOM 2110 CE LYS A 130 -17.812 7.218 -4.193 1.00 3.03 C ATOM 2111 NZ LYS A 130 -16.723 8.035 -3.583 1.00 3.83 N ATOM 0 H LYS A 130 -20.036 2.811 -5.706 1.00 1.23 H new ATOM 0 HA LYS A 130 -20.849 2.308 -2.924 1.00 1.67 H new ATOM 0 HB2 LYS A 130 -20.037 4.493 -2.103 1.00 2.16 H new ATOM 0 HB3 LYS A 130 -18.684 3.503 -2.614 1.00 2.16 H new ATOM 0 HG2 LYS A 130 -18.868 4.662 -4.922 1.00 2.18 H new ATOM 0 HG3 LYS A 130 -19.991 5.782 -4.176 1.00 2.18 H new ATOM 0 HD2 LYS A 130 -18.147 6.137 -2.351 1.00 2.66 H new ATOM 0 HD3 LYS A 130 -17.060 5.328 -3.462 1.00 2.66 H new ATOM 0 HE2 LYS A 130 -17.577 6.998 -5.234 1.00 3.03 H new ATOM 0 HE3 LYS A 130 -18.747 7.778 -4.189 1.00 3.03 H new ATOM 0 HZ1 LYS A 130 -17.039 9.021 -3.491 1.00 3.83 H new ATOM 0 HZ2 LYS A 130 -16.490 7.657 -2.643 1.00 3.83 H new ATOM 0 HZ3 LYS A 130 -15.879 7.997 -4.190 1.00 3.83 H new ATOM 2125 N CYS A 131 -22.123 4.891 -3.495 1.00 1.37 N ATOM 2126 CA CYS A 131 -23.310 5.674 -3.941 1.00 1.16 C ATOM 2127 C CYS A 131 -23.231 5.905 -5.452 1.00 1.08 C ATOM 2128 O CYS A 131 -24.204 6.263 -6.086 1.00 1.33 O ATOM 2129 CB CYS A 131 -23.332 7.024 -3.220 1.00 1.50 C ATOM 2130 SG CYS A 131 -22.395 6.900 -1.677 1.00 1.32 S ATOM 0 H CYS A 131 -21.650 5.254 -2.668 1.00 1.37 H new ATOM 0 HA CYS A 131 -24.219 5.121 -3.705 1.00 1.16 H new ATOM 0 HB2 CYS A 131 -22.902 7.796 -3.858 1.00 1.50 H new ATOM 0 HB3 CYS A 131 -24.360 7.320 -3.011 1.00 1.50 H new ATOM 2135 N SER A 132 -22.081 5.705 -6.033 1.00 1.12 N ATOM 2136 CA SER A 132 -21.941 5.914 -7.502 1.00 1.46 C ATOM 2137 C SER A 132 -22.494 4.695 -8.245 1.00 1.90 C ATOM 2138 O SER A 132 -21.978 4.294 -9.268 1.00 2.12 O ATOM 2139 CB SER A 132 -20.465 6.099 -7.854 1.00 1.66 C ATOM 2140 OG SER A 132 -19.757 6.520 -6.695 1.00 0.74 O ATOM 0 H SER A 132 -21.231 5.406 -5.554 1.00 1.12 H new ATOM 0 HA SER A 132 -22.498 6.804 -7.797 1.00 1.46 H new ATOM 0 HB2 SER A 132 -20.049 5.164 -8.230 1.00 1.66 H new ATOM 0 HB3 SER A 132 -20.358 6.838 -8.648 1.00 1.66 H new ATOM 0 HG SER A 132 -18.912 6.939 -6.962 1.00 0.74 H new ATOM 2146 N SER A 133 -23.539 4.102 -7.736 1.00 2.52 N ATOM 2147 CA SER A 133 -24.122 2.910 -8.412 1.00 3.26 C ATOM 2148 C SER A 133 -25.137 3.366 -9.463 1.00 4.22 C ATOM 2149 O SER A 133 -25.435 2.582 -10.349 1.00 4.69 O ATOM 2150 CB SER A 133 -24.822 2.028 -7.378 1.00 3.87 C ATOM 2151 OG SER A 133 -24.551 0.663 -7.666 1.00 4.00 O ATOM 2152 OXT SER A 133 -25.599 4.491 -9.364 1.00 4.81 O ATOM 0 H SER A 133 -24.014 4.392 -6.881 1.00 2.52 H new ATOM 0 HA SER A 133 -23.327 2.342 -8.895 1.00 3.26 H new ATOM 0 HB2 SER A 133 -24.474 2.276 -6.375 1.00 3.87 H new ATOM 0 HB3 SER A 133 -25.897 2.209 -7.396 1.00 3.87 H new ATOM 0 HG SER A 133 -24.997 0.094 -7.004 1.00 4.00 H new TER 2158 SER A 133