USER MOD reduce.3.24.130724 H: found=0, std=0, add=695, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 693 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 73 CYS SG : rot -68:sc= 0.673 USER MOD Set 1.2: A 74 ASN :FLIP amide:sc= 0.694 F(o=0.8,f=1.4) USER MOD Set 2.1: A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 89 SER OG : rot -50:sc= 0.837 USER MOD Single : A 1 GLY N :NH3+ -116:sc= 0.0809 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=-0.0062) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot -150:sc= 0.0257 USER MOD Single : A 20 THR OG1 : rot -13:sc= 0.179 USER MOD Single : A 21 CYS SG : rot 64:sc= 0.0671 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 154:sc= 0.503 (180deg=-0.461) USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.0515 USER MOD Single : A 30 GLN : amide:sc= -1.41 X(o=-1.4,f=-1.1) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 158:sc= -0.0728 (180deg=-0.454) USER MOD Single : A 35 GLN : amide:sc= -2.63! C(o=-2.6!,f=-6.4!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 CYS SG : rot -150:sc= -0.553 USER MOD Single : A 43 GLN : amide:sc= 0.119 K(o=0.12,f=-0.42) USER MOD Single : A 44 ASN : amide:sc= -3.64 K(o=-3.6,f=-13!) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.107 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot -160:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -0.434 X(o=-0.43,f=-0.047) USER MOD Single : A 83 GLN : amide:sc= -0.0192 K(o=-0.019,f=-1.8) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 29:sc= 0.783 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -1.387 -3.378 -30.913 1.00 0.00 N ATOM 2 CA GLY A 1 -0.432 -2.288 -30.972 1.00 0.00 C ATOM 3 C GLY A 1 0.317 -2.102 -29.667 1.00 0.00 C ATOM 4 O GLY A 1 -0.060 -2.669 -28.641 1.00 0.00 O ATOM 0 H1 GLY A 1 -1.107 -4.122 -31.583 1.00 0.00 H new ATOM 0 H2 GLY A 1 -1.408 -3.770 -29.950 1.00 0.00 H new ATOM 0 H3 GLY A 1 -2.333 -3.025 -31.163 1.00 0.00 H new ATOM 0 HA2 GLY A 1 0.282 -2.478 -31.773 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -0.954 -1.365 -31.222 1.00 0.00 H new ATOM 8 N SER A 2 1.381 -1.306 -29.705 1.00 0.00 N ATOM 9 CA SER A 2 2.187 -1.051 -28.518 1.00 0.00 C ATOM 10 C SER A 2 1.499 -0.045 -27.599 1.00 0.00 C ATOM 11 O SER A 2 0.862 0.901 -28.063 1.00 0.00 O ATOM 12 CB SER A 2 3.570 -0.532 -28.916 1.00 0.00 C ATOM 13 OG SER A 2 4.248 0.022 -27.802 1.00 0.00 O ATOM 0 H SER A 2 1.704 -0.827 -30.545 1.00 0.00 H new ATOM 0 HA SER A 2 2.301 -1.991 -27.978 1.00 0.00 H new ATOM 0 HB2 SER A 2 4.160 -1.346 -29.336 1.00 0.00 H new ATOM 0 HB3 SER A 2 3.468 0.223 -29.696 1.00 0.00 H new ATOM 0 HG SER A 2 5.130 0.345 -28.083 1.00 0.00 H new ATOM 19 N SER A 3 1.633 -0.257 -26.294 1.00 0.00 N ATOM 20 CA SER A 3 1.022 0.628 -25.309 1.00 0.00 C ATOM 21 C SER A 3 1.655 2.015 -25.359 1.00 0.00 C ATOM 22 O SER A 3 0.983 3.007 -25.641 1.00 0.00 O ATOM 23 CB SER A 3 1.167 0.039 -23.905 1.00 0.00 C ATOM 24 OG SER A 3 0.345 0.726 -22.977 1.00 0.00 O ATOM 0 H SER A 3 2.159 -1.034 -25.894 1.00 0.00 H new ATOM 0 HA SER A 3 -0.037 0.722 -25.548 1.00 0.00 H new ATOM 0 HB2 SER A 3 0.899 -1.017 -23.921 1.00 0.00 H new ATOM 0 HB3 SER A 3 2.208 0.099 -23.588 1.00 0.00 H new ATOM 0 HG SER A 3 0.454 0.330 -22.087 1.00 0.00 H new ATOM 30 N GLY A 4 2.954 2.077 -25.083 1.00 0.00 N ATOM 31 CA GLY A 4 3.657 3.347 -25.101 1.00 0.00 C ATOM 32 C GLY A 4 5.149 3.186 -24.890 1.00 0.00 C ATOM 33 O GLY A 4 5.730 3.820 -24.009 1.00 0.00 O ATOM 0 H GLY A 4 3.532 1.271 -24.847 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.479 3.844 -26.055 1.00 0.00 H new ATOM 0 HA3 GLY A 4 3.251 3.995 -24.324 1.00 0.00 H new ATOM 37 N SER A 5 5.771 2.335 -25.699 1.00 0.00 N ATOM 38 CA SER A 5 7.205 2.089 -25.594 1.00 0.00 C ATOM 39 C SER A 5 8.001 3.297 -26.078 1.00 0.00 C ATOM 40 O SER A 5 8.960 3.721 -25.434 1.00 0.00 O ATOM 41 CB SER A 5 7.592 0.850 -26.404 1.00 0.00 C ATOM 42 OG SER A 5 8.786 0.270 -25.909 1.00 0.00 O ATOM 0 H SER A 5 5.305 1.804 -26.435 1.00 0.00 H new ATOM 0 HA SER A 5 7.443 1.917 -24.544 1.00 0.00 H new ATOM 0 HB2 SER A 5 6.785 0.119 -26.364 1.00 0.00 H new ATOM 0 HB3 SER A 5 7.723 1.123 -27.451 1.00 0.00 H new ATOM 0 HG SER A 5 9.011 -0.521 -26.442 1.00 0.00 H new ATOM 48 N SER A 6 7.595 3.846 -27.219 1.00 0.00 N ATOM 49 CA SER A 6 8.272 5.003 -27.794 1.00 0.00 C ATOM 50 C SER A 6 7.852 6.286 -27.082 1.00 0.00 C ATOM 51 O SER A 6 8.687 7.130 -26.758 1.00 0.00 O ATOM 52 CB SER A 6 7.963 5.110 -29.288 1.00 0.00 C ATOM 53 OG SER A 6 8.965 5.849 -29.964 1.00 0.00 O ATOM 0 H SER A 6 6.801 3.508 -27.763 1.00 0.00 H new ATOM 0 HA SER A 6 9.346 4.869 -27.662 1.00 0.00 H new ATOM 0 HB2 SER A 6 7.889 4.112 -29.720 1.00 0.00 H new ATOM 0 HB3 SER A 6 6.995 5.591 -29.429 1.00 0.00 H new ATOM 0 HG SER A 6 8.745 5.902 -30.918 1.00 0.00 H new ATOM 59 N GLY A 7 6.552 6.424 -26.843 1.00 0.00 N ATOM 60 CA GLY A 7 6.043 7.607 -26.172 1.00 0.00 C ATOM 61 C GLY A 7 5.314 7.274 -24.886 1.00 0.00 C ATOM 62 O GLY A 7 4.112 7.011 -24.896 1.00 0.00 O ATOM 0 H GLY A 7 5.842 5.739 -27.102 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.871 8.281 -25.953 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.367 8.139 -26.842 1.00 0.00 H new ATOM 66 N ASN A 8 6.042 7.285 -23.774 1.00 0.00 N ATOM 67 CA ASN A 8 5.457 6.980 -22.473 1.00 0.00 C ATOM 68 C ASN A 8 5.315 8.245 -21.631 1.00 0.00 C ATOM 69 O ASN A 8 6.206 9.094 -21.613 1.00 0.00 O ATOM 70 CB ASN A 8 6.316 5.954 -21.732 1.00 0.00 C ATOM 71 CG ASN A 8 5.680 5.498 -20.434 1.00 0.00 C ATOM 72 OD1 ASN A 8 4.538 5.039 -20.416 1.00 0.00 O ATOM 73 ND2 ASN A 8 6.420 5.622 -19.337 1.00 0.00 N ATOM 0 H ASN A 8 7.038 7.502 -23.748 1.00 0.00 H new ATOM 0 HA ASN A 8 4.464 6.561 -22.638 1.00 0.00 H new ATOM 0 HB2 ASN A 8 6.481 5.090 -22.376 1.00 0.00 H new ATOM 0 HB3 ASN A 8 7.294 6.387 -21.522 1.00 0.00 H new ATOM 0 HD21 ASN A 8 6.046 5.331 -18.434 1.00 0.00 H new ATOM 0 HD22 ASN A 8 7.362 6.008 -19.398 1.00 0.00 H new ATOM 80 N ASP A 9 4.190 8.361 -20.935 1.00 0.00 N ATOM 81 CA ASP A 9 3.932 9.520 -20.088 1.00 0.00 C ATOM 82 C ASP A 9 3.643 9.092 -18.653 1.00 0.00 C ATOM 83 O ASP A 9 3.255 7.951 -18.402 1.00 0.00 O ATOM 84 CB ASP A 9 2.756 10.329 -20.639 1.00 0.00 C ATOM 85 CG ASP A 9 3.078 10.989 -21.965 1.00 0.00 C ATOM 86 OD1 ASP A 9 4.055 11.765 -22.019 1.00 0.00 O ATOM 87 OD2 ASP A 9 2.352 10.732 -22.948 1.00 0.00 O ATOM 0 H ASP A 9 3.442 7.667 -20.940 1.00 0.00 H new ATOM 0 HA ASP A 9 4.825 10.145 -20.088 1.00 0.00 H new ATOM 0 HB2 ASP A 9 1.894 9.673 -20.763 1.00 0.00 H new ATOM 0 HB3 ASP A 9 2.474 11.093 -19.915 1.00 0.00 H new ATOM 92 N ALA A 10 3.836 10.014 -17.715 1.00 0.00 N ATOM 93 CA ALA A 10 3.595 9.731 -16.306 1.00 0.00 C ATOM 94 C ALA A 10 2.115 9.861 -15.965 1.00 0.00 C ATOM 95 O ALA A 10 1.744 9.977 -14.797 1.00 0.00 O ATOM 96 CB ALA A 10 4.423 10.662 -15.432 1.00 0.00 C ATOM 0 H ALA A 10 4.158 10.963 -17.906 1.00 0.00 H new ATOM 0 HA ALA A 10 3.897 8.702 -16.111 1.00 0.00 H new ATOM 0 HB1 ALA A 10 4.233 10.440 -14.382 1.00 0.00 H new ATOM 0 HB2 ALA A 10 5.482 10.518 -15.648 1.00 0.00 H new ATOM 0 HB3 ALA A 10 4.148 11.696 -15.639 1.00 0.00 H new ATOM 102 N VAL A 11 1.272 9.840 -16.992 1.00 0.00 N ATOM 103 CA VAL A 11 -0.169 9.955 -16.802 1.00 0.00 C ATOM 104 C VAL A 11 -0.670 8.941 -15.779 1.00 0.00 C ATOM 105 O VAL A 11 -1.510 9.258 -14.937 1.00 0.00 O ATOM 106 CB VAL A 11 -0.929 9.751 -18.126 1.00 0.00 C ATOM 107 CG1 VAL A 11 -0.565 10.840 -19.124 1.00 0.00 C ATOM 108 CG2 VAL A 11 -0.638 8.372 -18.699 1.00 0.00 C ATOM 0 H VAL A 11 1.562 9.744 -17.965 1.00 0.00 H new ATOM 0 HA VAL A 11 -0.360 10.963 -16.435 1.00 0.00 H new ATOM 0 HB VAL A 11 -1.998 9.818 -17.926 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -1.112 10.679 -20.053 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -0.828 11.814 -18.712 1.00 0.00 H new ATOM 0 HG13 VAL A 11 0.506 10.808 -19.323 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -1.183 8.244 -19.634 1.00 0.00 H new ATOM 0 HG22 VAL A 11 0.431 8.274 -18.886 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -0.954 7.609 -17.988 1.00 0.00 H new ATOM 118 N ASP A 12 -0.149 7.722 -15.859 1.00 0.00 N ATOM 119 CA ASP A 12 -0.543 6.661 -14.939 1.00 0.00 C ATOM 120 C ASP A 12 0.467 6.524 -13.804 1.00 0.00 C ATOM 121 O ASP A 12 0.474 5.526 -13.082 1.00 0.00 O ATOM 122 CB ASP A 12 -0.673 5.332 -15.686 1.00 0.00 C ATOM 123 CG ASP A 12 -1.554 4.340 -14.952 1.00 0.00 C ATOM 124 OD1 ASP A 12 -1.721 4.490 -13.724 1.00 0.00 O ATOM 125 OD2 ASP A 12 -2.077 3.414 -15.607 1.00 0.00 O ATOM 0 H ASP A 12 0.547 7.444 -16.551 1.00 0.00 H new ATOM 0 HA ASP A 12 -1.510 6.925 -14.511 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -1.085 5.515 -16.678 1.00 0.00 H new ATOM 0 HB3 ASP A 12 0.317 4.899 -15.827 1.00 0.00 H new ATOM 130 N PHE A 13 1.320 7.531 -13.653 1.00 0.00 N ATOM 131 CA PHE A 13 2.336 7.522 -12.607 1.00 0.00 C ATOM 132 C PHE A 13 2.018 8.556 -11.531 1.00 0.00 C ATOM 133 O PHE A 13 2.274 8.335 -10.347 1.00 0.00 O ATOM 134 CB PHE A 13 3.717 7.801 -13.205 1.00 0.00 C ATOM 135 CG PHE A 13 4.851 7.351 -12.329 1.00 0.00 C ATOM 136 CD1 PHE A 13 5.042 6.006 -12.056 1.00 0.00 C ATOM 137 CD2 PHE A 13 5.727 8.273 -11.780 1.00 0.00 C ATOM 138 CE1 PHE A 13 6.085 5.589 -11.251 1.00 0.00 C ATOM 139 CE2 PHE A 13 6.772 7.862 -10.974 1.00 0.00 C ATOM 140 CZ PHE A 13 6.951 6.518 -10.709 1.00 0.00 C ATOM 0 H PHE A 13 1.328 8.364 -14.242 1.00 0.00 H new ATOM 0 HA PHE A 13 2.339 6.534 -12.147 1.00 0.00 H new ATOM 0 HB2 PHE A 13 3.794 7.301 -14.171 1.00 0.00 H new ATOM 0 HB3 PHE A 13 3.814 8.871 -13.391 1.00 0.00 H new ATOM 0 HD1 PHE A 13 4.368 5.275 -12.477 1.00 0.00 H new ATOM 0 HD2 PHE A 13 5.592 9.325 -11.984 1.00 0.00 H new ATOM 0 HE1 PHE A 13 6.223 4.538 -11.046 1.00 0.00 H new ATOM 0 HE2 PHE A 13 7.448 8.591 -10.552 1.00 0.00 H new ATOM 0 HZ PHE A 13 7.767 6.195 -10.079 1.00 0.00 H new ATOM 150 N SER A 14 1.458 9.686 -11.951 1.00 0.00 N ATOM 151 CA SER A 14 1.108 10.756 -11.025 1.00 0.00 C ATOM 152 C SER A 14 0.039 10.295 -10.040 1.00 0.00 C ATOM 153 O SER A 14 0.233 10.303 -8.824 1.00 0.00 O ATOM 154 CB SER A 14 0.614 11.984 -11.793 1.00 0.00 C ATOM 155 OG SER A 14 1.678 12.882 -12.058 1.00 0.00 O ATOM 0 H SER A 14 1.237 9.884 -12.927 1.00 0.00 H new ATOM 0 HA SER A 14 2.003 11.023 -10.464 1.00 0.00 H new ATOM 0 HB2 SER A 14 0.157 11.670 -12.731 1.00 0.00 H new ATOM 0 HB3 SER A 14 -0.159 12.491 -11.216 1.00 0.00 H new ATOM 0 HG SER A 14 1.337 13.657 -12.551 1.00 0.00 H new ATOM 161 N PRO A 15 -1.119 9.881 -10.576 1.00 0.00 N ATOM 162 CA PRO A 15 -2.244 9.407 -9.763 1.00 0.00 C ATOM 163 C PRO A 15 -1.956 8.063 -9.103 1.00 0.00 C ATOM 164 O PRO A 15 -2.819 7.487 -8.441 1.00 0.00 O ATOM 165 CB PRO A 15 -3.382 9.273 -10.777 1.00 0.00 C ATOM 166 CG PRO A 15 -2.702 9.061 -12.085 1.00 0.00 C ATOM 167 CD PRO A 15 -1.420 9.844 -12.017 1.00 0.00 C ATOM 0 HA PRO A 15 -2.467 10.085 -8.939 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -4.035 8.436 -10.530 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -4.004 10.168 -10.795 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -2.504 8.003 -12.255 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -3.326 9.405 -12.910 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -0.623 9.360 -12.582 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -1.539 10.846 -12.429 1.00 0.00 H new ATOM 175 N THR A 16 -0.736 7.567 -9.288 1.00 0.00 N ATOM 176 CA THR A 16 -0.335 6.290 -8.712 1.00 0.00 C ATOM 177 C THR A 16 0.952 6.431 -7.906 1.00 0.00 C ATOM 178 O THR A 16 1.850 7.185 -8.279 1.00 0.00 O ATOM 179 CB THR A 16 -0.130 5.221 -9.802 1.00 0.00 C ATOM 180 OG1 THR A 16 0.930 5.614 -10.680 1.00 0.00 O ATOM 181 CG2 THR A 16 -1.408 5.012 -10.601 1.00 0.00 C ATOM 0 H THR A 16 -0.009 8.031 -9.832 1.00 0.00 H new ATOM 0 HA THR A 16 -1.142 5.974 -8.051 1.00 0.00 H new ATOM 0 HB THR A 16 0.133 4.282 -9.315 1.00 0.00 H new ATOM 0 HG1 THR A 16 0.767 5.248 -11.574 1.00 0.00 H new ATOM 0 HG21 THR A 16 -1.240 4.253 -11.365 1.00 0.00 H new ATOM 0 HG22 THR A 16 -2.205 4.684 -9.933 1.00 0.00 H new ATOM 0 HG23 THR A 16 -1.696 5.949 -11.078 1.00 0.00 H new ATOM 189 N LEU A 17 1.034 5.699 -6.800 1.00 0.00 N ATOM 190 CA LEU A 17 2.213 5.742 -5.941 1.00 0.00 C ATOM 191 C LEU A 17 2.643 4.335 -5.538 1.00 0.00 C ATOM 192 O LEU A 17 1.823 3.479 -5.206 1.00 0.00 O ATOM 193 CB LEU A 17 1.928 6.579 -4.692 1.00 0.00 C ATOM 194 CG LEU A 17 1.339 7.964 -4.962 1.00 0.00 C ATOM 195 CD1 LEU A 17 0.875 8.608 -3.665 1.00 0.00 C ATOM 196 CD2 LEU A 17 2.359 8.848 -5.663 1.00 0.00 C ATOM 0 H LEU A 17 0.299 5.069 -6.477 1.00 0.00 H new ATOM 0 HA LEU A 17 3.025 6.204 -6.502 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.240 6.027 -4.052 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.856 6.698 -4.133 1.00 0.00 H new ATOM 0 HG LEU A 17 0.475 7.850 -5.617 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.459 9.593 -3.876 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.112 7.983 -3.201 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.722 8.710 -2.986 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.924 9.830 -5.848 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.242 8.955 -5.033 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.644 8.393 -6.612 1.00 0.00 H new ATOM 208 N PRO A 18 3.961 4.090 -5.567 1.00 0.00 N ATOM 209 CA PRO A 18 4.532 2.788 -5.207 1.00 0.00 C ATOM 210 C PRO A 18 4.411 2.494 -3.716 1.00 0.00 C ATOM 211 O PRO A 18 5.041 3.154 -2.889 1.00 0.00 O ATOM 212 CB PRO A 18 6.003 2.923 -5.608 1.00 0.00 C ATOM 213 CG PRO A 18 6.278 4.386 -5.553 1.00 0.00 C ATOM 214 CD PRO A 18 4.996 5.063 -5.952 1.00 0.00 C ATOM 0 HA PRO A 18 4.015 1.966 -5.701 1.00 0.00 H new ATOM 0 HB2 PRO A 18 6.651 2.372 -4.926 1.00 0.00 H new ATOM 0 HB3 PRO A 18 6.179 2.524 -6.607 1.00 0.00 H new ATOM 0 HG2 PRO A 18 6.584 4.688 -4.551 1.00 0.00 H new ATOM 0 HG3 PRO A 18 7.089 4.656 -6.229 1.00 0.00 H new ATOM 0 HD2 PRO A 18 4.866 6.014 -5.435 1.00 0.00 H new ATOM 0 HD3 PRO A 18 4.970 5.276 -7.021 1.00 0.00 H new ATOM 222 N VAL A 19 3.597 1.499 -3.378 1.00 0.00 N ATOM 223 CA VAL A 19 3.394 1.116 -1.986 1.00 0.00 C ATOM 224 C VAL A 19 3.932 -0.285 -1.717 1.00 0.00 C ATOM 225 O VAL A 19 4.069 -1.096 -2.633 1.00 0.00 O ATOM 226 CB VAL A 19 1.903 1.164 -1.602 1.00 0.00 C ATOM 227 CG1 VAL A 19 1.359 2.577 -1.749 1.00 0.00 C ATOM 228 CG2 VAL A 19 1.104 0.185 -2.448 1.00 0.00 C ATOM 0 H VAL A 19 3.067 0.943 -4.050 1.00 0.00 H new ATOM 0 HA VAL A 19 3.942 1.835 -1.377 1.00 0.00 H new ATOM 0 HB VAL A 19 1.805 0.870 -0.557 1.00 0.00 H new ATOM 0 HG11 VAL A 19 0.305 2.591 -1.473 1.00 0.00 H new ATOM 0 HG12 VAL A 19 1.914 3.250 -1.096 1.00 0.00 H new ATOM 0 HG13 VAL A 19 1.468 2.903 -2.783 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.053 0.232 -2.164 1.00 0.00 H new ATOM 0 HG22 VAL A 19 1.207 0.446 -3.501 1.00 0.00 H new ATOM 0 HG23 VAL A 19 1.479 -0.826 -2.286 1.00 0.00 H new ATOM 238 N THR A 20 4.235 -0.564 -0.453 1.00 0.00 N ATOM 239 CA THR A 20 4.759 -1.867 -0.063 1.00 0.00 C ATOM 240 C THR A 20 4.452 -2.166 1.400 1.00 0.00 C ATOM 241 O THR A 20 4.658 -1.322 2.273 1.00 0.00 O ATOM 242 CB THR A 20 6.281 -1.950 -0.284 1.00 0.00 C ATOM 243 OG1 THR A 20 6.933 -0.865 0.385 1.00 0.00 O ATOM 244 CG2 THR A 20 6.615 -1.911 -1.767 1.00 0.00 C ATOM 0 H THR A 20 4.126 0.095 0.318 1.00 0.00 H new ATOM 0 HA THR A 20 4.268 -2.608 -0.694 1.00 0.00 H new ATOM 0 HB THR A 20 6.635 -2.895 0.128 1.00 0.00 H new ATOM 0 HG1 THR A 20 6.266 -0.202 0.660 1.00 0.00 H new ATOM 0 HG21 THR A 20 7.695 -1.971 -1.898 1.00 0.00 H new ATOM 0 HG22 THR A 20 6.141 -2.755 -2.269 1.00 0.00 H new ATOM 0 HG23 THR A 20 6.248 -0.980 -2.198 1.00 0.00 H new ATOM 252 N CYS A 21 3.960 -3.372 1.662 1.00 0.00 N ATOM 253 CA CYS A 21 3.625 -3.783 3.020 1.00 0.00 C ATOM 254 C CYS A 21 4.175 -5.174 3.319 1.00 0.00 C ATOM 255 O CYS A 21 3.752 -6.162 2.721 1.00 0.00 O ATOM 256 CB CYS A 21 2.109 -3.768 3.221 1.00 0.00 C ATOM 257 SG CYS A 21 1.589 -3.986 4.939 1.00 0.00 S ATOM 0 H CYS A 21 3.784 -4.082 0.951 1.00 0.00 H new ATOM 0 HA CYS A 21 4.083 -3.074 3.710 1.00 0.00 H new ATOM 0 HB2 CYS A 21 1.714 -2.822 2.850 1.00 0.00 H new ATOM 0 HB3 CYS A 21 1.665 -4.558 2.615 1.00 0.00 H new ATOM 0 HG CYS A 21 2.013 -2.985 5.651 1.00 0.00 H new ATOM 263 N GLY A 22 5.125 -5.243 4.248 1.00 0.00 N ATOM 264 CA GLY A 22 5.719 -6.516 4.608 1.00 0.00 C ATOM 265 C GLY A 22 6.376 -7.205 3.428 1.00 0.00 C ATOM 266 O GLY A 22 7.467 -6.823 3.005 1.00 0.00 O ATOM 0 H GLY A 22 5.493 -4.439 4.757 1.00 0.00 H new ATOM 0 HA2 GLY A 22 6.460 -6.359 5.391 1.00 0.00 H new ATOM 0 HA3 GLY A 22 4.950 -7.168 5.023 1.00 0.00 H new ATOM 270 N LYS A 23 5.710 -8.223 2.894 1.00 0.00 N ATOM 271 CA LYS A 23 6.235 -8.968 1.756 1.00 0.00 C ATOM 272 C LYS A 23 5.347 -8.782 0.529 1.00 0.00 C ATOM 273 O LYS A 23 5.451 -9.531 -0.443 1.00 0.00 O ATOM 274 CB LYS A 23 6.344 -10.455 2.099 1.00 0.00 C ATOM 275 CG LYS A 23 5.177 -10.977 2.920 1.00 0.00 C ATOM 276 CD LYS A 23 5.441 -10.847 4.410 1.00 0.00 C ATOM 277 CE LYS A 23 6.454 -11.876 4.888 1.00 0.00 C ATOM 278 NZ LYS A 23 6.415 -12.048 6.367 1.00 0.00 N ATOM 0 H LYS A 23 4.805 -8.551 3.231 1.00 0.00 H new ATOM 0 HA LYS A 23 7.228 -8.581 1.527 1.00 0.00 H new ATOM 0 HB2 LYS A 23 6.412 -11.028 1.175 1.00 0.00 H new ATOM 0 HB3 LYS A 23 7.269 -10.626 2.649 1.00 0.00 H new ATOM 0 HG2 LYS A 23 4.273 -10.426 2.660 1.00 0.00 H new ATOM 0 HG3 LYS A 23 4.995 -12.023 2.672 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.808 -9.844 4.630 1.00 0.00 H new ATOM 0 HD3 LYS A 23 4.507 -10.972 4.958 1.00 0.00 H new ATOM 0 HE2 LYS A 23 6.255 -12.833 4.406 1.00 0.00 H new ATOM 0 HE3 LYS A 23 7.455 -11.569 4.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 7.120 -12.757 6.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 6.630 -11.141 6.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 5.468 -12.366 6.655 1.00 0.00 H new ATOM 292 N ALA A 24 4.477 -7.780 0.580 1.00 0.00 N ATOM 293 CA ALA A 24 3.574 -7.494 -0.528 1.00 0.00 C ATOM 294 C ALA A 24 3.929 -6.171 -1.198 1.00 0.00 C ATOM 295 O ALA A 24 4.329 -5.214 -0.534 1.00 0.00 O ATOM 296 CB ALA A 24 2.132 -7.472 -0.043 1.00 0.00 C ATOM 0 H ALA A 24 4.378 -7.152 1.377 1.00 0.00 H new ATOM 0 HA ALA A 24 3.684 -8.287 -1.267 1.00 0.00 H new ATOM 0 HB1 ALA A 24 1.469 -7.257 -0.881 1.00 0.00 H new ATOM 0 HB2 ALA A 24 1.876 -8.443 0.382 1.00 0.00 H new ATOM 0 HB3 ALA A 24 2.016 -6.700 0.718 1.00 0.00 H new ATOM 302 N LYS A 25 3.781 -6.123 -2.518 1.00 0.00 N ATOM 303 CA LYS A 25 4.085 -4.917 -3.279 1.00 0.00 C ATOM 304 C LYS A 25 2.961 -4.593 -4.257 1.00 0.00 C ATOM 305 O LYS A 25 2.433 -5.480 -4.926 1.00 0.00 O ATOM 306 CB LYS A 25 5.403 -5.086 -4.037 1.00 0.00 C ATOM 307 CG LYS A 25 6.576 -5.453 -3.145 1.00 0.00 C ATOM 308 CD LYS A 25 7.847 -5.663 -3.951 1.00 0.00 C ATOM 309 CE LYS A 25 7.996 -7.112 -4.390 1.00 0.00 C ATOM 310 NZ LYS A 25 7.361 -7.358 -5.714 1.00 0.00 N ATOM 0 H LYS A 25 3.452 -6.906 -3.083 1.00 0.00 H new ATOM 0 HA LYS A 25 4.181 -4.089 -2.577 1.00 0.00 H new ATOM 0 HB2 LYS A 25 5.279 -5.858 -4.796 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.632 -4.158 -4.561 1.00 0.00 H new ATOM 0 HG2 LYS A 25 6.736 -4.664 -2.411 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.342 -6.362 -2.590 1.00 0.00 H new ATOM 0 HD2 LYS A 25 7.834 -5.016 -4.828 1.00 0.00 H new ATOM 0 HD3 LYS A 25 8.711 -5.372 -3.353 1.00 0.00 H new ATOM 0 HE2 LYS A 25 9.054 -7.369 -4.441 1.00 0.00 H new ATOM 0 HE3 LYS A 25 7.545 -7.766 -3.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 7.827 -8.164 -6.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.352 -7.571 -5.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 7.460 -6.511 -6.309 1.00 0.00 H new ATOM 324 N GLY A 26 2.601 -3.315 -4.337 1.00 0.00 N ATOM 325 CA GLY A 26 1.543 -2.898 -5.238 1.00 0.00 C ATOM 326 C GLY A 26 1.639 -1.430 -5.604 1.00 0.00 C ATOM 327 O GLY A 26 2.724 -0.848 -5.591 1.00 0.00 O ATOM 0 H GLY A 26 3.023 -2.562 -3.794 1.00 0.00 H new ATOM 0 HA2 GLY A 26 1.585 -3.499 -6.146 1.00 0.00 H new ATOM 0 HA3 GLY A 26 0.576 -3.091 -4.773 1.00 0.00 H new ATOM 331 N THR A 27 0.500 -0.828 -5.934 1.00 0.00 N ATOM 332 CA THR A 27 0.461 0.580 -6.308 1.00 0.00 C ATOM 333 C THR A 27 -0.881 1.207 -5.949 1.00 0.00 C ATOM 334 O THR A 27 -1.934 0.732 -6.375 1.00 0.00 O ATOM 335 CB THR A 27 0.715 0.768 -7.816 1.00 0.00 C ATOM 336 OG1 THR A 27 1.913 0.084 -8.200 1.00 0.00 O ATOM 337 CG2 THR A 27 0.832 2.243 -8.165 1.00 0.00 C ATOM 0 H THR A 27 -0.407 -1.294 -5.950 1.00 0.00 H new ATOM 0 HA THR A 27 1.253 1.078 -5.749 1.00 0.00 H new ATOM 0 HB THR A 27 -0.132 0.349 -8.360 1.00 0.00 H new ATOM 0 HG1 THR A 27 2.067 0.207 -9.160 1.00 0.00 H new ATOM 0 HG21 THR A 27 1.011 2.351 -9.235 1.00 0.00 H new ATOM 0 HG22 THR A 27 -0.093 2.754 -7.899 1.00 0.00 H new ATOM 0 HG23 THR A 27 1.662 2.683 -7.612 1.00 0.00 H new ATOM 345 N LEU A 28 -0.837 2.277 -5.163 1.00 0.00 N ATOM 346 CA LEU A 28 -2.051 2.971 -4.746 1.00 0.00 C ATOM 347 C LEU A 28 -2.483 3.990 -5.795 1.00 0.00 C ATOM 348 O LEU A 28 -1.664 4.751 -6.311 1.00 0.00 O ATOM 349 CB LEU A 28 -1.829 3.667 -3.401 1.00 0.00 C ATOM 350 CG LEU A 28 -2.908 4.677 -3.010 1.00 0.00 C ATOM 351 CD1 LEU A 28 -4.013 3.998 -2.216 1.00 0.00 C ATOM 352 CD2 LEU A 28 -2.302 5.820 -2.211 1.00 0.00 C ATOM 0 H LEU A 28 0.026 2.683 -4.801 1.00 0.00 H new ATOM 0 HA LEU A 28 -2.844 2.231 -4.637 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.765 2.907 -2.622 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.867 4.178 -3.428 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.343 5.086 -3.922 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.772 4.733 -1.947 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.467 3.213 -2.821 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.594 3.561 -1.310 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.084 6.530 -1.941 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.841 5.426 -1.305 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.546 6.324 -2.813 1.00 0.00 H new ATOM 364 N PHE A 29 -3.775 4.000 -6.106 1.00 0.00 N ATOM 365 CA PHE A 29 -4.316 4.925 -7.094 1.00 0.00 C ATOM 366 C PHE A 29 -5.222 5.959 -6.433 1.00 0.00 C ATOM 367 O PHE A 29 -6.372 5.670 -6.101 1.00 0.00 O ATOM 368 CB PHE A 29 -5.094 4.161 -8.167 1.00 0.00 C ATOM 369 CG PHE A 29 -4.227 3.293 -9.033 1.00 0.00 C ATOM 370 CD1 PHE A 29 -3.438 2.301 -8.473 1.00 0.00 C ATOM 371 CD2 PHE A 29 -4.200 3.469 -10.407 1.00 0.00 C ATOM 372 CE1 PHE A 29 -2.638 1.502 -9.268 1.00 0.00 C ATOM 373 CE2 PHE A 29 -3.402 2.672 -11.207 1.00 0.00 C ATOM 374 CZ PHE A 29 -2.621 1.687 -10.637 1.00 0.00 C ATOM 0 H PHE A 29 -4.467 3.378 -5.688 1.00 0.00 H new ATOM 0 HA PHE A 29 -3.481 5.446 -7.562 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -5.849 3.540 -7.684 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -5.624 4.875 -8.797 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -3.448 2.151 -7.404 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -4.809 4.238 -10.859 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -2.026 0.733 -8.819 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.390 2.820 -12.277 1.00 0.00 H new ATOM 0 HZ PHE A 29 -1.998 1.062 -11.260 1.00 0.00 H new ATOM 384 N GLN A 30 -4.695 7.164 -6.243 1.00 0.00 N ATOM 385 CA GLN A 30 -5.456 8.241 -5.620 1.00 0.00 C ATOM 386 C GLN A 30 -6.884 8.278 -6.153 1.00 0.00 C ATOM 387 O GLN A 30 -7.834 8.470 -5.395 1.00 0.00 O ATOM 388 CB GLN A 30 -4.772 9.587 -5.868 1.00 0.00 C ATOM 389 CG GLN A 30 -3.254 9.509 -5.854 1.00 0.00 C ATOM 390 CD GLN A 30 -2.602 10.867 -5.684 1.00 0.00 C ATOM 391 OE1 GLN A 30 -2.504 11.645 -6.634 1.00 0.00 O ATOM 392 NE2 GLN A 30 -2.151 11.160 -4.470 1.00 0.00 N ATOM 0 H GLN A 30 -3.745 7.419 -6.511 1.00 0.00 H new ATOM 0 HA GLN A 30 -5.493 8.052 -4.547 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -5.099 9.979 -6.831 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -5.098 10.297 -5.108 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -2.935 8.853 -5.044 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -2.908 9.058 -6.784 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -2.253 10.486 -3.712 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -1.703 12.059 -4.296 1.00 0.00 H new ATOM 401 N GLU A 31 -7.027 8.092 -7.461 1.00 0.00 N ATOM 402 CA GLU A 31 -8.341 8.105 -8.095 1.00 0.00 C ATOM 403 C GLU A 31 -9.241 7.024 -7.504 1.00 0.00 C ATOM 404 O GLU A 31 -10.425 7.253 -7.254 1.00 0.00 O ATOM 405 CB GLU A 31 -8.205 7.902 -9.605 1.00 0.00 C ATOM 406 CG GLU A 31 -9.466 7.367 -10.263 1.00 0.00 C ATOM 407 CD GLU A 31 -9.615 7.828 -11.700 1.00 0.00 C ATOM 408 OE1 GLU A 31 -9.089 8.910 -12.033 1.00 0.00 O ATOM 409 OE2 GLU A 31 -10.258 7.107 -12.491 1.00 0.00 O ATOM 0 H GLU A 31 -6.250 7.931 -8.102 1.00 0.00 H new ATOM 0 HA GLU A 31 -8.798 9.077 -7.906 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -7.938 8.852 -10.068 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -7.384 7.212 -9.798 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -9.452 6.277 -10.235 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -10.335 7.690 -9.690 1.00 0.00 H new ATOM 416 N LYS A 32 -8.671 5.844 -7.283 1.00 0.00 N ATOM 417 CA LYS A 32 -9.419 4.726 -6.721 1.00 0.00 C ATOM 418 C LYS A 32 -9.393 4.765 -5.196 1.00 0.00 C ATOM 419 O LYS A 32 -9.968 3.902 -4.534 1.00 0.00 O ATOM 420 CB LYS A 32 -8.842 3.398 -7.217 1.00 0.00 C ATOM 421 CG LYS A 32 -9.300 3.021 -8.616 1.00 0.00 C ATOM 422 CD LYS A 32 -8.292 2.119 -9.308 1.00 0.00 C ATOM 423 CE LYS A 32 -8.766 1.715 -10.696 1.00 0.00 C ATOM 424 NZ LYS A 32 -9.710 0.564 -10.647 1.00 0.00 N ATOM 0 H LYS A 32 -7.693 5.637 -7.485 1.00 0.00 H new ATOM 0 HA LYS A 32 -10.454 4.812 -7.052 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -7.754 3.457 -7.203 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -9.127 2.606 -6.524 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -10.264 2.516 -8.560 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -9.447 3.925 -9.208 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -7.334 2.634 -9.385 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -8.127 1.226 -8.705 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -9.254 2.564 -11.175 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -7.905 1.453 -11.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -10.010 0.319 -11.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -9.237 -0.255 -10.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -10.543 0.822 -10.081 1.00 0.00 H new ATOM 438 N LEU A 33 -8.724 5.773 -4.646 1.00 0.00 N ATOM 439 CA LEU A 33 -8.624 5.925 -3.199 1.00 0.00 C ATOM 440 C LEU A 33 -9.684 6.892 -2.680 1.00 0.00 C ATOM 441 O LEU A 33 -10.248 6.693 -1.604 1.00 0.00 O ATOM 442 CB LEU A 33 -7.229 6.422 -2.813 1.00 0.00 C ATOM 443 CG LEU A 33 -6.977 6.538 -1.310 1.00 0.00 C ATOM 444 CD1 LEU A 33 -7.223 5.204 -0.622 1.00 0.00 C ATOM 445 CD2 LEU A 33 -5.560 7.022 -1.044 1.00 0.00 C ATOM 0 H LEU A 33 -8.243 6.497 -5.180 1.00 0.00 H new ATOM 0 HA LEU A 33 -8.793 4.950 -2.743 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -6.488 5.746 -3.239 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.069 7.399 -3.269 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.674 7.269 -0.900 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.038 5.307 0.447 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -8.256 4.896 -0.784 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.551 4.452 -1.036 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.398 7.099 0.031 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -4.848 6.314 -1.469 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.417 8.000 -1.503 1.00 0.00 H new ATOM 457 N LYS A 34 -9.949 7.940 -3.452 1.00 0.00 N ATOM 458 CA LYS A 34 -10.941 8.939 -3.072 1.00 0.00 C ATOM 459 C LYS A 34 -12.260 8.277 -2.687 1.00 0.00 C ATOM 460 O LYS A 34 -12.716 8.398 -1.550 1.00 0.00 O ATOM 461 CB LYS A 34 -11.169 9.924 -4.222 1.00 0.00 C ATOM 462 CG LYS A 34 -9.948 10.765 -4.553 1.00 0.00 C ATOM 463 CD LYS A 34 -10.166 11.593 -5.808 1.00 0.00 C ATOM 464 CE LYS A 34 -10.984 12.842 -5.518 1.00 0.00 C ATOM 465 NZ LYS A 34 -10.247 13.798 -4.647 1.00 0.00 N ATOM 0 H LYS A 34 -9.490 8.120 -4.345 1.00 0.00 H new ATOM 0 HA LYS A 34 -10.561 9.482 -2.206 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -11.469 9.369 -5.111 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -11.996 10.585 -3.964 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -9.721 11.425 -3.715 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -9.084 10.115 -4.690 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -9.202 11.878 -6.229 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -10.676 10.990 -6.559 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -11.244 13.332 -6.456 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -11.920 12.559 -5.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -10.641 14.753 -4.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -10.343 13.507 -3.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -9.241 13.803 -4.910 1.00 0.00 H new ATOM 479 N GLN A 35 -12.866 7.576 -3.640 1.00 0.00 N ATOM 480 CA GLN A 35 -14.132 6.895 -3.399 1.00 0.00 C ATOM 481 C GLN A 35 -14.202 6.368 -1.969 1.00 0.00 C ATOM 482 O GLN A 35 -15.144 6.661 -1.234 1.00 0.00 O ATOM 483 CB GLN A 35 -14.312 5.743 -4.389 1.00 0.00 C ATOM 484 CG GLN A 35 -14.482 6.200 -5.829 1.00 0.00 C ATOM 485 CD GLN A 35 -13.176 6.641 -6.459 1.00 0.00 C ATOM 486 OE1 GLN A 35 -12.720 7.766 -6.248 1.00 0.00 O ATOM 487 NE2 GLN A 35 -12.567 5.757 -7.239 1.00 0.00 N ATOM 0 H GLN A 35 -12.501 7.465 -4.586 1.00 0.00 H new ATOM 0 HA GLN A 35 -14.937 7.616 -3.541 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -13.448 5.082 -4.326 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -15.183 5.157 -4.097 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -14.908 5.387 -6.416 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -15.194 7.025 -5.863 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -12.981 4.836 -7.386 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -11.685 5.998 -7.692 1.00 0.00 H new ATOM 496 N GLY A 36 -13.198 5.587 -1.581 1.00 0.00 N ATOM 497 CA GLY A 36 -13.166 5.031 -0.241 1.00 0.00 C ATOM 498 C GLY A 36 -12.011 4.070 -0.040 1.00 0.00 C ATOM 499 O GLY A 36 -11.468 3.531 -1.003 1.00 0.00 O ATOM 0 H GLY A 36 -12.407 5.330 -2.171 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -13.091 5.842 0.484 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -14.104 4.513 -0.043 1.00 0.00 H new ATOM 503 N ALA A 37 -11.633 3.857 1.217 1.00 0.00 N ATOM 504 CA ALA A 37 -10.535 2.954 1.541 1.00 0.00 C ATOM 505 C ALA A 37 -10.987 1.499 1.487 1.00 0.00 C ATOM 506 O ALA A 37 -10.272 0.601 1.933 1.00 0.00 O ATOM 507 CB ALA A 37 -9.971 3.283 2.915 1.00 0.00 C ATOM 0 H ALA A 37 -12.071 4.297 2.026 1.00 0.00 H new ATOM 0 HA ALA A 37 -9.751 3.091 0.796 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -9.152 2.602 3.145 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -9.602 4.309 2.921 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -10.754 3.175 3.665 1.00 0.00 H new ATOM 513 N SER A 38 -12.176 1.273 0.939 1.00 0.00 N ATOM 514 CA SER A 38 -12.725 -0.074 0.831 1.00 0.00 C ATOM 515 C SER A 38 -12.685 -0.563 -0.613 1.00 0.00 C ATOM 516 O SER A 38 -12.730 -1.765 -0.877 1.00 0.00 O ATOM 517 CB SER A 38 -14.163 -0.105 1.353 1.00 0.00 C ATOM 518 OG SER A 38 -14.570 -1.431 1.647 1.00 0.00 O ATOM 0 H SER A 38 -12.778 2.005 0.563 1.00 0.00 H new ATOM 0 HA SER A 38 -12.111 -0.739 1.438 1.00 0.00 H new ATOM 0 HB2 SER A 38 -14.241 0.510 2.249 1.00 0.00 H new ATOM 0 HB3 SER A 38 -14.833 0.328 0.610 1.00 0.00 H new ATOM 0 HG SER A 38 -15.492 -1.424 1.980 1.00 0.00 H new ATOM 524 N LYS A 39 -12.600 0.379 -1.547 1.00 0.00 N ATOM 525 CA LYS A 39 -12.553 0.047 -2.966 1.00 0.00 C ATOM 526 C LYS A 39 -11.146 -0.372 -3.381 1.00 0.00 C ATOM 527 O LYS A 39 -10.158 0.228 -2.957 1.00 0.00 O ATOM 528 CB LYS A 39 -13.008 1.243 -3.806 1.00 0.00 C ATOM 529 CG LYS A 39 -14.382 1.765 -3.426 1.00 0.00 C ATOM 530 CD LYS A 39 -15.487 0.869 -3.962 1.00 0.00 C ATOM 531 CE LYS A 39 -15.756 1.137 -5.435 1.00 0.00 C ATOM 532 NZ LYS A 39 -17.107 0.665 -5.847 1.00 0.00 N ATOM 0 H LYS A 39 -12.562 1.378 -1.346 1.00 0.00 H new ATOM 0 HA LYS A 39 -13.229 -0.790 -3.140 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -12.281 2.048 -3.701 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -13.016 0.956 -4.858 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -14.460 1.831 -2.341 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -14.509 2.775 -3.816 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -15.208 -0.176 -3.826 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -16.400 1.032 -3.389 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -15.669 2.206 -5.631 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -14.998 0.639 -6.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -17.252 0.866 -6.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -17.182 -0.359 -5.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -17.832 1.158 -5.289 1.00 0.00 H new ATOM 546 N LYS A 40 -11.062 -1.406 -4.212 1.00 0.00 N ATOM 547 CA LYS A 40 -9.776 -1.904 -4.686 1.00 0.00 C ATOM 548 C LYS A 40 -8.994 -0.803 -5.395 1.00 0.00 C ATOM 549 O LYS A 40 -9.273 -0.475 -6.548 1.00 0.00 O ATOM 550 CB LYS A 40 -9.983 -3.088 -5.633 1.00 0.00 C ATOM 551 CG LYS A 40 -10.901 -4.162 -5.074 1.00 0.00 C ATOM 552 CD LYS A 40 -10.119 -5.228 -4.325 1.00 0.00 C ATOM 553 CE LYS A 40 -10.989 -6.434 -4.003 1.00 0.00 C ATOM 554 NZ LYS A 40 -10.999 -7.423 -5.115 1.00 0.00 N ATOM 0 H LYS A 40 -11.870 -1.915 -4.571 1.00 0.00 H new ATOM 0 HA LYS A 40 -9.201 -2.234 -3.821 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -10.396 -2.722 -6.573 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -9.015 -3.533 -5.862 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -11.630 -3.706 -4.404 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -11.460 -4.624 -5.888 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -9.265 -5.544 -4.925 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -9.721 -4.808 -3.401 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -10.624 -6.913 -3.094 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -12.008 -6.103 -3.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -11.603 -8.230 -4.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -11.371 -6.974 -5.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -10.030 -7.758 -5.290 1.00 0.00 H new ATOM 568 N CYS A 41 -8.014 -0.239 -4.698 1.00 0.00 N ATOM 569 CA CYS A 41 -7.190 0.825 -5.262 1.00 0.00 C ATOM 570 C CYS A 41 -5.740 0.373 -5.403 1.00 0.00 C ATOM 571 O CYS A 41 -5.005 0.871 -6.256 1.00 0.00 O ATOM 572 CB CYS A 41 -7.264 2.075 -4.384 1.00 0.00 C ATOM 573 SG CYS A 41 -6.810 1.792 -2.657 1.00 0.00 S ATOM 0 H CYS A 41 -7.770 -0.500 -3.743 1.00 0.00 H new ATOM 0 HA CYS A 41 -7.575 1.063 -6.253 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -6.607 2.838 -4.801 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -8.278 2.473 -4.421 1.00 0.00 H new ATOM 0 HG CYS A 41 -7.459 2.622 -1.896 1.00 0.00 H new ATOM 579 N ILE A 42 -5.335 -0.570 -4.559 1.00 0.00 N ATOM 580 CA ILE A 42 -3.973 -1.088 -4.590 1.00 0.00 C ATOM 581 C ILE A 42 -3.830 -2.197 -5.627 1.00 0.00 C ATOM 582 O ILE A 42 -4.423 -3.267 -5.492 1.00 0.00 O ATOM 583 CB ILE A 42 -3.546 -1.631 -3.213 1.00 0.00 C ATOM 584 CG1 ILE A 42 -3.605 -0.520 -2.163 1.00 0.00 C ATOM 585 CG2 ILE A 42 -2.147 -2.223 -3.288 1.00 0.00 C ATOM 586 CD1 ILE A 42 -3.532 -1.029 -0.740 1.00 0.00 C ATOM 0 H ILE A 42 -5.930 -0.991 -3.846 1.00 0.00 H new ATOM 0 HA ILE A 42 -3.325 -0.255 -4.861 1.00 0.00 H new ATOM 0 HB ILE A 42 -4.238 -2.420 -2.919 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -2.783 0.175 -2.334 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -4.530 0.042 -2.292 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.859 -2.602 -2.307 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -2.135 -3.039 -4.011 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -1.442 -1.452 -3.600 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -3.579 -0.187 -0.050 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -4.369 -1.701 -0.551 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -2.595 -1.566 -0.593 1.00 0.00 H new ATOM 598 N GLN A 43 -3.037 -1.933 -6.662 1.00 0.00 N ATOM 599 CA GLN A 43 -2.815 -2.910 -7.721 1.00 0.00 C ATOM 600 C GLN A 43 -1.479 -3.621 -7.535 1.00 0.00 C ATOM 601 O GLN A 43 -0.427 -2.985 -7.496 1.00 0.00 O ATOM 602 CB GLN A 43 -2.857 -2.227 -9.090 1.00 0.00 C ATOM 603 CG GLN A 43 -3.190 -3.173 -10.232 1.00 0.00 C ATOM 604 CD GLN A 43 -3.078 -2.509 -11.590 1.00 0.00 C ATOM 605 OE1 GLN A 43 -2.136 -1.761 -11.853 1.00 0.00 O ATOM 606 NE2 GLN A 43 -4.042 -2.781 -12.463 1.00 0.00 N ATOM 0 H GLN A 43 -2.539 -1.052 -6.789 1.00 0.00 H new ATOM 0 HA GLN A 43 -3.611 -3.653 -7.668 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -3.597 -1.427 -9.065 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -1.891 -1.762 -9.285 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -2.519 -4.032 -10.195 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -4.203 -3.554 -10.100 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -4.804 -3.407 -12.203 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -4.020 -2.364 -13.394 1.00 0.00 H new ATOM 615 N ASN A 44 -1.530 -4.944 -7.419 1.00 0.00 N ATOM 616 CA ASN A 44 -0.323 -5.742 -7.236 1.00 0.00 C ATOM 617 C ASN A 44 0.439 -5.885 -8.550 1.00 0.00 C ATOM 618 O ASN A 44 -0.040 -5.472 -9.605 1.00 0.00 O ATOM 619 CB ASN A 44 -0.679 -7.125 -6.687 1.00 0.00 C ATOM 620 CG ASN A 44 -1.470 -7.955 -7.679 1.00 0.00 C ATOM 621 OD1 ASN A 44 -1.730 -7.520 -8.801 1.00 0.00 O ATOM 622 ND2 ASN A 44 -1.857 -9.157 -7.269 1.00 0.00 N ATOM 0 H ASN A 44 -2.394 -5.486 -7.448 1.00 0.00 H new ATOM 0 HA ASN A 44 0.317 -5.228 -6.519 1.00 0.00 H new ATOM 0 HB2 ASN A 44 0.236 -7.655 -6.423 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -1.257 -7.011 -5.770 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -2.392 -9.761 -7.893 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -1.619 -9.477 -6.330 1.00 0.00 H new ATOM 629 N GLU A 45 1.629 -6.475 -8.476 1.00 0.00 N ATOM 630 CA GLU A 45 2.457 -6.672 -9.660 1.00 0.00 C ATOM 631 C GLU A 45 1.715 -7.491 -10.713 1.00 0.00 C ATOM 632 O GLU A 45 1.988 -7.378 -11.907 1.00 0.00 O ATOM 633 CB GLU A 45 3.765 -7.370 -9.283 1.00 0.00 C ATOM 634 CG GLU A 45 4.276 -7.002 -7.900 1.00 0.00 C ATOM 635 CD GLU A 45 3.743 -7.921 -6.818 1.00 0.00 C ATOM 636 OE1 GLU A 45 2.664 -8.516 -7.025 1.00 0.00 O ATOM 637 OE2 GLU A 45 4.403 -8.045 -5.766 1.00 0.00 O ATOM 0 H GLU A 45 2.040 -6.824 -7.610 1.00 0.00 H new ATOM 0 HA GLU A 45 2.684 -5.693 -10.081 1.00 0.00 H new ATOM 0 HB2 GLU A 45 3.618 -8.449 -9.331 1.00 0.00 H new ATOM 0 HB3 GLU A 45 4.527 -7.119 -10.021 1.00 0.00 H new ATOM 0 HG2 GLU A 45 5.365 -7.038 -7.898 1.00 0.00 H new ATOM 0 HG3 GLU A 45 3.990 -5.975 -7.673 1.00 0.00 H new ATOM 644 N ALA A 46 0.777 -8.316 -10.259 1.00 0.00 N ATOM 645 CA ALA A 46 -0.005 -9.153 -11.161 1.00 0.00 C ATOM 646 C ALA A 46 -1.108 -8.347 -11.839 1.00 0.00 C ATOM 647 O ALA A 46 -1.747 -8.820 -12.778 1.00 0.00 O ATOM 648 CB ALA A 46 -0.598 -10.332 -10.404 1.00 0.00 C ATOM 0 H ALA A 46 0.540 -8.423 -9.273 1.00 0.00 H new ATOM 0 HA ALA A 46 0.661 -9.531 -11.937 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.180 -10.949 -11.089 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.206 -10.928 -9.972 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.246 -9.965 -9.608 1.00 0.00 H new ATOM 654 N GLY A 47 -1.327 -7.128 -11.355 1.00 0.00 N ATOM 655 CA GLY A 47 -2.355 -6.277 -11.926 1.00 0.00 C ATOM 656 C GLY A 47 -3.654 -6.333 -11.147 1.00 0.00 C ATOM 657 O GLY A 47 -4.483 -5.429 -11.244 1.00 0.00 O ATOM 0 H GLY A 47 -0.811 -6.715 -10.578 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.996 -5.248 -11.954 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.540 -6.578 -12.957 1.00 0.00 H new ATOM 661 N ASP A 48 -3.831 -7.398 -10.372 1.00 0.00 N ATOM 662 CA ASP A 48 -5.039 -7.569 -9.573 1.00 0.00 C ATOM 663 C ASP A 48 -5.118 -6.512 -8.475 1.00 0.00 C ATOM 664 O ASP A 48 -4.191 -6.360 -7.679 1.00 0.00 O ATOM 665 CB ASP A 48 -5.074 -8.967 -8.955 1.00 0.00 C ATOM 666 CG ASP A 48 -5.397 -10.042 -9.974 1.00 0.00 C ATOM 667 OD1 ASP A 48 -6.404 -9.891 -10.696 1.00 0.00 O ATOM 668 OD2 ASP A 48 -4.642 -11.035 -10.049 1.00 0.00 O ATOM 0 H ASP A 48 -3.154 -8.155 -10.280 1.00 0.00 H new ATOM 0 HA ASP A 48 -5.900 -7.450 -10.231 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -4.109 -9.183 -8.497 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -5.817 -8.990 -8.158 1.00 0.00 H new ATOM 673 N TRP A 49 -6.229 -5.785 -8.440 1.00 0.00 N ATOM 674 CA TRP A 49 -6.428 -4.742 -7.440 1.00 0.00 C ATOM 675 C TRP A 49 -6.788 -5.346 -6.087 1.00 0.00 C ATOM 676 O TRP A 49 -7.272 -6.475 -6.010 1.00 0.00 O ATOM 677 CB TRP A 49 -7.526 -3.778 -7.891 1.00 0.00 C ATOM 678 CG TRP A 49 -7.233 -3.115 -9.203 1.00 0.00 C ATOM 679 CD1 TRP A 49 -7.371 -3.661 -10.447 1.00 0.00 C ATOM 680 CD2 TRP A 49 -6.749 -1.782 -9.400 1.00 0.00 C ATOM 681 NE1 TRP A 49 -7.002 -2.748 -11.405 1.00 0.00 N ATOM 682 CE2 TRP A 49 -6.618 -1.587 -10.789 1.00 0.00 C ATOM 683 CE3 TRP A 49 -6.417 -0.733 -8.539 1.00 0.00 C ATOM 684 CZ2 TRP A 49 -6.168 -0.387 -11.333 1.00 0.00 C ATOM 685 CZ3 TRP A 49 -5.969 0.457 -9.080 1.00 0.00 C ATOM 686 CH2 TRP A 49 -5.849 0.623 -10.466 1.00 0.00 C ATOM 0 H TRP A 49 -7.005 -5.898 -9.092 1.00 0.00 H new ATOM 0 HA TRP A 49 -5.493 -4.192 -7.333 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -8.467 -4.322 -7.969 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -7.663 -3.012 -7.128 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -7.719 -4.663 -10.648 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -7.012 -2.909 -12.412 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -6.509 -0.850 -7.469 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -6.074 -0.258 -12.401 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -5.707 1.273 -8.423 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -5.498 1.566 -10.858 1.00 0.00 H new ATOM 697 N LEU A 50 -6.550 -4.587 -5.023 1.00 0.00 N ATOM 698 CA LEU A 50 -6.850 -5.048 -3.672 1.00 0.00 C ATOM 699 C LEU A 50 -7.289 -3.887 -2.786 1.00 0.00 C ATOM 700 O LEU A 50 -6.791 -2.769 -2.916 1.00 0.00 O ATOM 701 CB LEU A 50 -5.627 -5.737 -3.063 1.00 0.00 C ATOM 702 CG LEU A 50 -5.121 -6.957 -3.833 1.00 0.00 C ATOM 703 CD1 LEU A 50 -3.620 -7.118 -3.653 1.00 0.00 C ATOM 704 CD2 LEU A 50 -5.851 -8.213 -3.379 1.00 0.00 C ATOM 0 H LEU A 50 -6.150 -3.650 -5.070 1.00 0.00 H new ATOM 0 HA LEU A 50 -7.669 -5.764 -3.732 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.818 -5.010 -2.991 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -5.871 -6.044 -2.046 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.324 -6.804 -4.893 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.279 -7.992 -4.208 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.111 -6.229 -4.026 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.392 -7.249 -2.595 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -5.479 -9.072 -3.937 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.678 -8.369 -2.314 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -6.920 -8.098 -3.560 1.00 0.00 H new ATOM 716 N THR A 51 -8.226 -4.161 -1.883 1.00 0.00 N ATOM 717 CA THR A 51 -8.734 -3.140 -0.976 1.00 0.00 C ATOM 718 C THR A 51 -7.695 -2.776 0.079 1.00 0.00 C ATOM 719 O THR A 51 -6.952 -3.634 0.555 1.00 0.00 O ATOM 720 CB THR A 51 -10.023 -3.606 -0.271 1.00 0.00 C ATOM 721 OG1 THR A 51 -9.783 -4.833 0.426 1.00 0.00 O ATOM 722 CG2 THR A 51 -11.149 -3.798 -1.275 1.00 0.00 C ATOM 0 H THR A 51 -8.648 -5.082 -1.761 1.00 0.00 H new ATOM 0 HA THR A 51 -8.957 -2.261 -1.582 1.00 0.00 H new ATOM 0 HB THR A 51 -10.321 -2.837 0.441 1.00 0.00 H new ATOM 0 HG1 THR A 51 -10.606 -5.122 0.873 1.00 0.00 H new ATOM 0 HG21 THR A 51 -12.048 -4.127 -0.754 1.00 0.00 H new ATOM 0 HG22 THR A 51 -11.348 -2.854 -1.783 1.00 0.00 H new ATOM 0 HG23 THR A 51 -10.858 -4.550 -2.008 1.00 0.00 H new ATOM 730 N VAL A 52 -7.649 -1.497 0.440 1.00 0.00 N ATOM 731 CA VAL A 52 -6.702 -1.019 1.440 1.00 0.00 C ATOM 732 C VAL A 52 -6.465 -2.070 2.519 1.00 0.00 C ATOM 733 O VAL A 52 -5.370 -2.171 3.074 1.00 0.00 O ATOM 734 CB VAL A 52 -7.194 0.280 2.104 1.00 0.00 C ATOM 735 CG1 VAL A 52 -6.241 0.711 3.208 1.00 0.00 C ATOM 736 CG2 VAL A 52 -7.353 1.381 1.066 1.00 0.00 C ATOM 0 H VAL A 52 -8.256 -0.774 0.055 1.00 0.00 H new ATOM 0 HA VAL A 52 -5.766 -0.819 0.919 1.00 0.00 H new ATOM 0 HB VAL A 52 -8.169 0.091 2.553 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -6.606 1.631 3.665 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -6.183 -0.072 3.964 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -5.250 0.883 2.787 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -7.701 2.292 1.552 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -6.393 1.570 0.586 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -8.079 1.071 0.315 1.00 0.00 H new ATOM 746 N LYS A 53 -7.498 -2.852 2.812 1.00 0.00 N ATOM 747 CA LYS A 53 -7.404 -3.898 3.824 1.00 0.00 C ATOM 748 C LYS A 53 -6.686 -5.126 3.272 1.00 0.00 C ATOM 749 O LYS A 53 -5.714 -5.602 3.857 1.00 0.00 O ATOM 750 CB LYS A 53 -8.800 -4.288 4.315 1.00 0.00 C ATOM 751 CG LYS A 53 -8.784 -5.235 5.502 1.00 0.00 C ATOM 752 CD LYS A 53 -8.779 -6.688 5.056 1.00 0.00 C ATOM 753 CE LYS A 53 -9.466 -7.586 6.074 1.00 0.00 C ATOM 754 NZ LYS A 53 -10.948 -7.548 5.936 1.00 0.00 N ATOM 0 H LYS A 53 -8.411 -2.781 2.363 1.00 0.00 H new ATOM 0 HA LYS A 53 -6.827 -3.507 4.662 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -9.345 -3.385 4.589 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -9.347 -4.755 3.496 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -7.904 -5.038 6.114 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -9.656 -5.049 6.129 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -9.283 -6.776 4.093 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -7.752 -7.021 4.910 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -9.116 -8.611 5.949 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -9.187 -7.274 7.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -11.379 -8.173 6.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -11.285 -6.575 6.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -11.216 -7.870 4.984 1.00 0.00 H new ATOM 768 N GLU A 54 -7.171 -5.631 2.142 1.00 0.00 N ATOM 769 CA GLU A 54 -6.575 -6.803 1.512 1.00 0.00 C ATOM 770 C GLU A 54 -5.054 -6.681 1.466 1.00 0.00 C ATOM 771 O GLU A 54 -4.338 -7.481 2.068 1.00 0.00 O ATOM 772 CB GLU A 54 -7.125 -6.984 0.096 1.00 0.00 C ATOM 773 CG GLU A 54 -8.489 -7.654 0.055 1.00 0.00 C ATOM 774 CD GLU A 54 -8.395 -9.163 -0.060 1.00 0.00 C ATOM 775 OE1 GLU A 54 -7.794 -9.789 0.839 1.00 0.00 O ATOM 776 OE2 GLU A 54 -8.921 -9.718 -1.047 1.00 0.00 O ATOM 0 H GLU A 54 -7.974 -5.247 1.645 1.00 0.00 H new ATOM 0 HA GLU A 54 -6.835 -7.677 2.110 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.194 -6.009 -0.386 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -6.420 -7.578 -0.486 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -9.043 -7.396 0.957 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -9.056 -7.264 -0.790 1.00 0.00 H new ATOM 783 N PHE A 55 -4.569 -5.674 0.748 1.00 0.00 N ATOM 784 CA PHE A 55 -3.134 -5.447 0.622 1.00 0.00 C ATOM 785 C PHE A 55 -2.409 -5.814 1.913 1.00 0.00 C ATOM 786 O PHE A 55 -1.351 -6.443 1.888 1.00 0.00 O ATOM 787 CB PHE A 55 -2.856 -3.985 0.265 1.00 0.00 C ATOM 788 CG PHE A 55 -1.432 -3.726 -0.135 1.00 0.00 C ATOM 789 CD1 PHE A 55 -0.841 -4.454 -1.155 1.00 0.00 C ATOM 790 CD2 PHE A 55 -0.684 -2.754 0.510 1.00 0.00 C ATOM 791 CE1 PHE A 55 0.469 -4.217 -1.526 1.00 0.00 C ATOM 792 CE2 PHE A 55 0.627 -2.513 0.143 1.00 0.00 C ATOM 793 CZ PHE A 55 1.204 -3.246 -0.875 1.00 0.00 C ATOM 0 H PHE A 55 -5.148 -5.002 0.245 1.00 0.00 H new ATOM 0 HA PHE A 55 -2.760 -6.086 -0.178 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -3.514 -3.687 -0.551 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -3.105 -3.357 1.120 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -1.411 -5.216 -1.666 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -1.130 -2.179 1.308 1.00 0.00 H new ATOM 0 HE1 PHE A 55 0.917 -4.790 -2.324 1.00 0.00 H new ATOM 0 HE2 PHE A 55 1.199 -1.752 0.652 1.00 0.00 H new ATOM 0 HZ PHE A 55 2.229 -3.060 -1.162 1.00 0.00 H new ATOM 803 N LEU A 56 -2.987 -5.417 3.042 1.00 0.00 N ATOM 804 CA LEU A 56 -2.397 -5.702 4.345 1.00 0.00 C ATOM 805 C LEU A 56 -2.267 -7.206 4.565 1.00 0.00 C ATOM 806 O LEU A 56 -1.179 -7.711 4.842 1.00 0.00 O ATOM 807 CB LEU A 56 -3.245 -5.083 5.458 1.00 0.00 C ATOM 808 CG LEU A 56 -3.656 -3.629 5.226 1.00 0.00 C ATOM 809 CD1 LEU A 56 -4.594 -3.156 6.325 1.00 0.00 C ATOM 810 CD2 LEU A 56 -2.428 -2.734 5.150 1.00 0.00 C ATOM 0 H LEU A 56 -3.864 -4.897 3.081 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.400 -5.262 4.370 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.146 -5.684 5.584 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -2.689 -5.142 6.393 1.00 0.00 H new ATOM 0 HG LEU A 56 -4.185 -3.569 4.275 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -4.875 -2.119 6.142 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -5.489 -3.779 6.333 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -4.092 -3.231 7.289 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.739 -1.703 4.985 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -1.872 -2.800 6.085 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.792 -3.058 4.326 1.00 0.00 H new ATOM 822 N ASN A 57 -3.384 -7.915 4.441 1.00 0.00 N ATOM 823 CA ASN A 57 -3.395 -9.361 4.628 1.00 0.00 C ATOM 824 C ASN A 57 -2.269 -10.021 3.837 1.00 0.00 C ATOM 825 O ASN A 57 -1.607 -10.935 4.326 1.00 0.00 O ATOM 826 CB ASN A 57 -4.744 -9.941 4.196 1.00 0.00 C ATOM 827 CG ASN A 57 -5.115 -11.185 4.980 1.00 0.00 C ATOM 828 OD1 ASN A 57 -4.276 -12.051 5.226 1.00 0.00 O ATOM 829 ND2 ASN A 57 -6.379 -11.279 5.376 1.00 0.00 N ATOM 0 H ASN A 57 -4.293 -7.512 4.212 1.00 0.00 H new ATOM 0 HA ASN A 57 -3.240 -9.567 5.687 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -5.520 -9.187 4.328 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -4.710 -10.181 3.133 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -6.688 -12.093 5.907 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -7.041 -10.537 5.150 1.00 0.00 H new ATOM 836 N GLU A 58 -2.058 -9.549 2.612 1.00 0.00 N ATOM 837 CA GLU A 58 -1.012 -10.093 1.754 1.00 0.00 C ATOM 838 C GLU A 58 0.335 -10.093 2.471 1.00 0.00 C ATOM 839 O GLU A 58 1.156 -10.987 2.272 1.00 0.00 O ATOM 840 CB GLU A 58 -0.912 -9.285 0.459 1.00 0.00 C ATOM 841 CG GLU A 58 -1.791 -9.817 -0.660 1.00 0.00 C ATOM 842 CD GLU A 58 -1.280 -11.127 -1.230 1.00 0.00 C ATOM 843 OE1 GLU A 58 -0.722 -11.933 -0.457 1.00 0.00 O ATOM 844 OE2 GLU A 58 -1.439 -11.344 -2.449 1.00 0.00 O ATOM 0 H GLU A 58 -2.597 -8.792 2.192 1.00 0.00 H new ATOM 0 HA GLU A 58 -1.276 -11.123 1.512 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -1.186 -8.250 0.664 1.00 0.00 H new ATOM 0 HB3 GLU A 58 0.125 -9.279 0.123 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -2.804 -9.959 -0.285 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -1.847 -9.075 -1.457 1.00 0.00 H new ATOM 851 N GLY A 59 0.554 -9.083 3.307 1.00 0.00 N ATOM 852 CA GLY A 59 1.802 -8.984 4.041 1.00 0.00 C ATOM 853 C GLY A 59 1.716 -9.612 5.418 1.00 0.00 C ATOM 854 O GLY A 59 2.671 -10.230 5.887 1.00 0.00 O ATOM 0 H GLY A 59 -0.111 -8.331 3.489 1.00 0.00 H new ATOM 0 HA2 GLY A 59 2.594 -9.471 3.472 1.00 0.00 H new ATOM 0 HA3 GLY A 59 2.079 -7.935 4.140 1.00 0.00 H new ATOM 858 N GLY A 60 0.568 -9.453 6.069 1.00 0.00 N ATOM 859 CA GLY A 60 0.383 -10.013 7.395 1.00 0.00 C ATOM 860 C GLY A 60 0.099 -8.951 8.439 1.00 0.00 C ATOM 861 O GLY A 60 0.494 -9.088 9.596 1.00 0.00 O ATOM 0 H GLY A 60 -0.237 -8.946 5.702 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -0.441 -10.726 7.373 1.00 0.00 H new ATOM 0 HA3 GLY A 60 1.277 -10.568 7.680 1.00 0.00 H new ATOM 865 N ARG A 61 -0.588 -7.889 8.029 1.00 0.00 N ATOM 866 CA ARG A 61 -0.922 -6.798 8.936 1.00 0.00 C ATOM 867 C ARG A 61 -2.434 -6.655 9.081 1.00 0.00 C ATOM 868 O ARG A 61 -2.930 -5.619 9.523 1.00 0.00 O ATOM 869 CB ARG A 61 -0.320 -5.485 8.433 1.00 0.00 C ATOM 870 CG ARG A 61 1.165 -5.345 8.722 1.00 0.00 C ATOM 871 CD ARG A 61 1.431 -5.197 10.212 1.00 0.00 C ATOM 872 NE ARG A 61 2.854 -5.050 10.503 1.00 0.00 N ATOM 873 CZ ARG A 61 3.402 -5.361 11.673 1.00 0.00 C ATOM 874 NH1 ARG A 61 2.649 -5.835 12.656 1.00 0.00 N ATOM 875 NH2 ARG A 61 4.705 -5.199 11.860 1.00 0.00 N ATOM 0 H ARG A 61 -0.924 -7.762 7.074 1.00 0.00 H new ATOM 0 HA ARG A 61 -0.501 -7.031 9.914 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -0.481 -5.410 7.358 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -0.851 -4.652 8.893 1.00 0.00 H new ATOM 0 HG2 ARG A 61 1.695 -6.218 8.342 1.00 0.00 H new ATOM 0 HG3 ARG A 61 1.560 -4.478 8.193 1.00 0.00 H new ATOM 0 HD2 ARG A 61 0.892 -4.329 10.592 1.00 0.00 H new ATOM 0 HD3 ARG A 61 1.042 -6.069 10.738 1.00 0.00 H new ATOM 0 HE ARG A 61 3.461 -4.689 9.767 1.00 0.00 H new ATOM 0 HH11 ARG A 61 1.647 -5.962 12.515 1.00 0.00 H new ATOM 0 HH12 ARG A 61 3.072 -6.073 13.553 1.00 0.00 H new ATOM 0 HH21 ARG A 61 5.287 -4.835 11.105 1.00 0.00 H new ATOM 0 HH22 ARG A 61 5.125 -5.438 12.758 1.00 0.00 H new ATOM 889 N ALA A 62 -3.161 -7.702 8.705 1.00 0.00 N ATOM 890 CA ALA A 62 -4.616 -7.693 8.794 1.00 0.00 C ATOM 891 C ALA A 62 -5.079 -7.204 10.162 1.00 0.00 C ATOM 892 O ALA A 62 -6.047 -6.451 10.269 1.00 0.00 O ATOM 893 CB ALA A 62 -5.170 -9.082 8.513 1.00 0.00 C ATOM 0 H ALA A 62 -2.766 -8.567 8.336 1.00 0.00 H new ATOM 0 HA ALA A 62 -4.997 -7.002 8.042 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -6.258 -9.061 8.583 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -4.877 -9.395 7.511 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -4.773 -9.787 9.244 1.00 0.00 H new ATOM 899 N THR A 63 -4.382 -7.638 11.208 1.00 0.00 N ATOM 900 CA THR A 63 -4.723 -7.246 12.570 1.00 0.00 C ATOM 901 C THR A 63 -4.626 -5.735 12.747 1.00 0.00 C ATOM 902 O THR A 63 -5.473 -5.121 13.396 1.00 0.00 O ATOM 903 CB THR A 63 -3.805 -7.932 13.599 1.00 0.00 C ATOM 904 OG1 THR A 63 -4.172 -7.535 14.924 1.00 0.00 O ATOM 905 CG2 THR A 63 -2.347 -7.580 13.343 1.00 0.00 C ATOM 0 H THR A 63 -3.578 -8.261 11.138 1.00 0.00 H new ATOM 0 HA THR A 63 -5.751 -7.565 12.743 1.00 0.00 H new ATOM 0 HB THR A 63 -3.925 -9.011 13.498 1.00 0.00 H new ATOM 0 HG1 THR A 63 -3.585 -7.977 15.572 1.00 0.00 H new ATOM 0 HG21 THR A 63 -1.718 -8.076 14.082 1.00 0.00 H new ATOM 0 HG22 THR A 63 -2.063 -7.911 12.344 1.00 0.00 H new ATOM 0 HG23 THR A 63 -2.214 -6.501 13.419 1.00 0.00 H new ATOM 913 N SER A 64 -3.588 -5.141 12.166 1.00 0.00 N ATOM 914 CA SER A 64 -3.379 -3.701 12.264 1.00 0.00 C ATOM 915 C SER A 64 -4.540 -2.940 11.630 1.00 0.00 C ATOM 916 O SER A 64 -4.975 -3.255 10.522 1.00 0.00 O ATOM 917 CB SER A 64 -2.066 -3.308 11.585 1.00 0.00 C ATOM 918 OG SER A 64 -0.959 -3.552 12.435 1.00 0.00 O ATOM 0 H SER A 64 -2.879 -5.634 11.623 1.00 0.00 H new ATOM 0 HA SER A 64 -3.327 -3.437 13.320 1.00 0.00 H new ATOM 0 HB2 SER A 64 -1.949 -3.872 10.659 1.00 0.00 H new ATOM 0 HB3 SER A 64 -2.095 -2.253 11.314 1.00 0.00 H new ATOM 0 HG SER A 64 -0.192 -3.021 12.134 1.00 0.00 H new ATOM 924 N LYS A 65 -5.038 -1.934 12.342 1.00 0.00 N ATOM 925 CA LYS A 65 -6.147 -1.125 11.852 1.00 0.00 C ATOM 926 C LYS A 65 -5.653 -0.053 10.886 1.00 0.00 C ATOM 927 O LYS A 65 -6.041 -0.031 9.717 1.00 0.00 O ATOM 928 CB LYS A 65 -6.885 -0.471 13.022 1.00 0.00 C ATOM 929 CG LYS A 65 -7.488 -1.469 13.996 1.00 0.00 C ATOM 930 CD LYS A 65 -8.196 -0.770 15.144 1.00 0.00 C ATOM 931 CE LYS A 65 -9.334 -1.617 15.694 1.00 0.00 C ATOM 932 NZ LYS A 65 -9.866 -1.067 16.972 1.00 0.00 N ATOM 0 H LYS A 65 -4.690 -1.660 13.261 1.00 0.00 H new ATOM 0 HA LYS A 65 -6.834 -1.781 11.319 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -6.193 0.177 13.560 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -7.678 0.166 12.630 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -8.194 -2.112 13.470 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -6.703 -2.114 14.390 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -7.481 -0.558 15.939 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -8.586 0.189 14.803 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -10.137 -1.669 14.959 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -8.983 -2.636 15.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -10.640 -1.672 17.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -9.106 -1.041 17.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -10.224 -0.104 16.813 1.00 0.00 H new ATOM 946 N ASP A 66 -4.796 0.833 11.380 1.00 0.00 N ATOM 947 CA ASP A 66 -4.247 1.906 10.560 1.00 0.00 C ATOM 948 C ASP A 66 -3.498 1.341 9.356 1.00 0.00 C ATOM 949 O ASP A 66 -2.419 0.766 9.499 1.00 0.00 O ATOM 950 CB ASP A 66 -3.312 2.785 11.391 1.00 0.00 C ATOM 951 CG ASP A 66 -3.966 3.282 12.666 1.00 0.00 C ATOM 952 OD1 ASP A 66 -4.242 2.450 13.554 1.00 0.00 O ATOM 953 OD2 ASP A 66 -4.202 4.504 12.774 1.00 0.00 O ATOM 0 H ASP A 66 -4.466 0.829 12.345 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.076 2.513 10.197 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -2.415 2.220 11.643 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -2.993 3.639 10.793 1.00 0.00 H new ATOM 958 N TRP A 67 -4.077 1.509 8.174 1.00 0.00 N ATOM 959 CA TRP A 67 -3.465 1.015 6.946 1.00 0.00 C ATOM 960 C TRP A 67 -2.337 1.935 6.491 1.00 0.00 C ATOM 961 O TRP A 67 -1.348 1.483 5.914 1.00 0.00 O ATOM 962 CB TRP A 67 -4.516 0.892 5.841 1.00 0.00 C ATOM 963 CG TRP A 67 -5.244 2.173 5.568 1.00 0.00 C ATOM 964 CD1 TRP A 67 -6.293 2.686 6.276 1.00 0.00 C ATOM 965 CD2 TRP A 67 -4.977 3.102 4.512 1.00 0.00 C ATOM 966 NE1 TRP A 67 -6.695 3.878 5.723 1.00 0.00 N ATOM 967 CE2 TRP A 67 -5.903 4.156 4.640 1.00 0.00 C ATOM 968 CE3 TRP A 67 -4.045 3.148 3.472 1.00 0.00 C ATOM 969 CZ2 TRP A 67 -5.923 5.239 3.766 1.00 0.00 C ATOM 970 CZ3 TRP A 67 -4.066 4.224 2.605 1.00 0.00 C ATOM 971 CH2 TRP A 67 -5.000 5.258 2.757 1.00 0.00 C ATOM 0 H TRP A 67 -4.970 1.984 8.039 1.00 0.00 H new ATOM 0 HA TRP A 67 -3.045 0.030 7.150 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -4.031 0.556 4.924 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -5.238 0.125 6.120 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -6.741 2.223 7.143 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -7.459 4.461 6.064 1.00 0.00 H new ATOM 0 HE3 TRP A 67 -3.321 2.356 3.348 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -6.642 6.036 3.881 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 -3.351 4.269 1.797 1.00 0.00 H new ATOM 0 HH2 TRP A 67 -4.991 6.086 2.064 1.00 0.00 H new ATOM 982 N LYS A 68 -2.491 3.228 6.756 1.00 0.00 N ATOM 983 CA LYS A 68 -1.485 4.212 6.375 1.00 0.00 C ATOM 984 C LYS A 68 -0.180 3.974 7.127 1.00 0.00 C ATOM 985 O LYS A 68 0.894 4.352 6.661 1.00 0.00 O ATOM 986 CB LYS A 68 -1.996 5.628 6.654 1.00 0.00 C ATOM 987 CG LYS A 68 -3.195 6.019 5.808 1.00 0.00 C ATOM 988 CD LYS A 68 -3.747 7.374 6.217 1.00 0.00 C ATOM 989 CE LYS A 68 -5.232 7.488 5.906 1.00 0.00 C ATOM 990 NZ LYS A 68 -5.796 8.789 6.360 1.00 0.00 N ATOM 0 H LYS A 68 -3.303 3.619 7.233 1.00 0.00 H new ATOM 0 HA LYS A 68 -1.294 4.105 5.307 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -2.264 5.708 7.708 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -1.189 6.338 6.476 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -2.907 6.044 4.757 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -3.974 5.263 5.907 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -3.585 7.527 7.284 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -3.203 8.162 5.696 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -5.387 7.380 4.833 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -5.768 6.671 6.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -6.809 8.827 6.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -5.671 8.882 7.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -5.302 9.568 5.879 1.00 0.00 H new ATOM 1004 N GLY A 69 -0.280 3.344 8.294 1.00 0.00 N ATOM 1005 CA GLY A 69 0.900 3.065 9.091 1.00 0.00 C ATOM 1006 C GLY A 69 1.605 1.794 8.659 1.00 0.00 C ATOM 1007 O GLY A 69 2.829 1.766 8.532 1.00 0.00 O ATOM 0 H GLY A 69 -1.158 3.022 8.701 1.00 0.00 H new ATOM 0 HA2 GLY A 69 1.592 3.904 9.016 1.00 0.00 H new ATOM 0 HA3 GLY A 69 0.615 2.980 10.140 1.00 0.00 H new ATOM 1011 N VAL A 70 0.830 0.738 8.433 1.00 0.00 N ATOM 1012 CA VAL A 70 1.387 -0.543 8.013 1.00 0.00 C ATOM 1013 C VAL A 70 1.953 -0.459 6.600 1.00 0.00 C ATOM 1014 O VAL A 70 2.991 -1.050 6.301 1.00 0.00 O ATOM 1015 CB VAL A 70 0.327 -1.659 8.065 1.00 0.00 C ATOM 1016 CG1 VAL A 70 -0.187 -1.843 9.484 1.00 0.00 C ATOM 1017 CG2 VAL A 70 -0.816 -1.352 7.110 1.00 0.00 C ATOM 0 H VAL A 70 -0.185 0.744 8.534 1.00 0.00 H new ATOM 0 HA VAL A 70 2.191 -0.783 8.709 1.00 0.00 H new ATOM 0 HB VAL A 70 0.792 -2.593 7.750 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.935 -2.636 9.500 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.642 -2.112 10.139 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -0.637 -0.913 9.832 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.556 -2.151 7.159 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.282 -0.408 7.392 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.430 -1.277 6.093 1.00 0.00 H new ATOM 1027 N ILE A 71 1.265 0.279 5.736 1.00 0.00 N ATOM 1028 CA ILE A 71 1.701 0.441 4.354 1.00 0.00 C ATOM 1029 C ILE A 71 2.782 1.510 4.241 1.00 0.00 C ATOM 1030 O ILE A 71 2.737 2.528 4.931 1.00 0.00 O ATOM 1031 CB ILE A 71 0.524 0.816 3.434 1.00 0.00 C ATOM 1032 CG1 ILE A 71 -0.618 -0.189 3.593 1.00 0.00 C ATOM 1033 CG2 ILE A 71 0.985 0.877 1.985 1.00 0.00 C ATOM 1034 CD1 ILE A 71 -1.856 0.172 2.803 1.00 0.00 C ATOM 0 H ILE A 71 0.404 0.774 5.968 1.00 0.00 H new ATOM 0 HA ILE A 71 2.109 -0.519 4.036 1.00 0.00 H new ATOM 0 HB ILE A 71 0.157 1.801 3.721 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -0.271 -1.173 3.279 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -0.880 -0.265 4.648 1.00 0.00 H new ATOM 0 HG21 ILE A 71 0.143 1.143 1.346 1.00 0.00 H new ATOM 0 HG22 ILE A 71 1.769 1.628 1.884 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.374 -0.096 1.686 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -2.624 -0.585 2.964 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -2.228 1.142 3.133 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -1.610 0.219 1.742 1.00 0.00 H new ATOM 1046 N ARG A 72 3.751 1.272 3.363 1.00 0.00 N ATOM 1047 CA ARG A 72 4.844 2.215 3.158 1.00 0.00 C ATOM 1048 C ARG A 72 5.096 2.440 1.670 1.00 0.00 C ATOM 1049 O ARG A 72 5.076 1.498 0.878 1.00 0.00 O ATOM 1050 CB ARG A 72 6.120 1.704 3.831 1.00 0.00 C ATOM 1051 CG ARG A 72 5.979 1.502 5.331 1.00 0.00 C ATOM 1052 CD ARG A 72 7.332 1.311 5.997 1.00 0.00 C ATOM 1053 NE ARG A 72 7.217 1.199 7.448 1.00 0.00 N ATOM 1054 CZ ARG A 72 6.927 0.065 8.077 1.00 0.00 C ATOM 1055 NH1 ARG A 72 6.723 -1.047 7.385 1.00 0.00 N ATOM 1056 NH2 ARG A 72 6.839 0.043 9.401 1.00 0.00 N ATOM 0 H ARG A 72 3.801 0.435 2.783 1.00 0.00 H new ATOM 0 HA ARG A 72 4.560 3.166 3.609 1.00 0.00 H new ATOM 0 HB2 ARG A 72 6.410 0.759 3.371 1.00 0.00 H new ATOM 0 HB3 ARG A 72 6.928 2.411 3.643 1.00 0.00 H new ATOM 0 HG2 ARG A 72 5.475 2.363 5.769 1.00 0.00 H new ATOM 0 HG3 ARG A 72 5.351 0.632 5.525 1.00 0.00 H new ATOM 0 HD2 ARG A 72 7.808 0.414 5.601 1.00 0.00 H new ATOM 0 HD3 ARG A 72 7.980 2.151 5.749 1.00 0.00 H new ATOM 0 HE ARG A 72 7.367 2.037 8.010 1.00 0.00 H new ATOM 0 HH11 ARG A 72 6.789 -1.034 6.367 1.00 0.00 H new ATOM 0 HH12 ARG A 72 6.501 -1.916 7.870 1.00 0.00 H new ATOM 0 HH21 ARG A 72 6.994 0.897 9.937 1.00 0.00 H new ATOM 0 HH22 ARG A 72 6.616 -0.828 9.883 1.00 0.00 H new ATOM 1070 N CYS A 73 5.332 3.694 1.299 1.00 0.00 N ATOM 1071 CA CYS A 73 5.586 4.043 -0.094 1.00 0.00 C ATOM 1072 C CYS A 73 7.056 3.839 -0.446 1.00 0.00 C ATOM 1073 O CYS A 73 7.401 2.947 -1.220 1.00 0.00 O ATOM 1074 CB CYS A 73 5.182 5.494 -0.360 1.00 0.00 C ATOM 1075 SG CYS A 73 5.581 6.079 -2.024 1.00 0.00 S ATOM 0 H CYS A 73 5.353 4.485 1.943 1.00 0.00 H new ATOM 0 HA CYS A 73 4.986 3.385 -0.723 1.00 0.00 H new ATOM 0 HB2 CYS A 73 4.109 5.597 -0.198 1.00 0.00 H new ATOM 0 HB3 CYS A 73 5.677 6.137 0.368 1.00 0.00 H new ATOM 0 HG CYS A 73 6.872 6.155 -2.159 1.00 0.00 H new ATOM 1081 N ASN A 74 7.918 4.673 0.127 1.00 0.00 N ATOM 1082 CA ASN A 74 9.351 4.586 -0.128 1.00 0.00 C ATOM 1083 C ASN A 74 10.114 4.274 1.155 1.00 0.00 C ATOM 1084 O ASN A 74 11.325 4.476 1.235 1.00 0.00 O ATOM 1085 CB ASN A 74 9.863 5.895 -0.734 1.00 0.00 C ATOM 1086 CG ASN A 74 9.762 5.910 -2.247 1.00 0.00 C ATOM 1087 OD1 ASN A 74 8.663 6.451 -2.760 1.00 0.00 O flip ATOM 1088 ND2 ASN A 74 10.660 5.441 -2.945 1.00 0.00 N flip ATOM 0 H ASN A 74 7.649 5.417 0.771 1.00 0.00 H new ATOM 0 HA ASN A 74 9.520 3.775 -0.836 1.00 0.00 H new ATOM 0 HB2 ASN A 74 9.292 6.729 -0.326 1.00 0.00 H new ATOM 0 HB3 ASN A 74 10.902 6.046 -0.440 1.00 0.00 H new ATOM 0 HD21 ASN A 74 11.487 5.035 -2.507 1.00 0.00 H new ATOM 0 HD22 ASN A 74 10.577 5.458 -3.962 1.00 0.00 H new ATOM 1095 N GLY A 75 9.396 3.778 2.159 1.00 0.00 N ATOM 1096 CA GLY A 75 10.022 3.446 3.425 1.00 0.00 C ATOM 1097 C GLY A 75 9.343 4.119 4.602 1.00 0.00 C ATOM 1098 O GLY A 75 9.659 3.832 5.756 1.00 0.00 O ATOM 0 H GLY A 75 8.392 3.600 2.118 1.00 0.00 H new ATOM 0 HA2 GLY A 75 9.999 2.365 3.566 1.00 0.00 H new ATOM 0 HA3 GLY A 75 11.071 3.742 3.397 1.00 0.00 H new ATOM 1102 N GLU A 76 8.409 5.019 4.309 1.00 0.00 N ATOM 1103 CA GLU A 76 7.687 5.737 5.353 1.00 0.00 C ATOM 1104 C GLU A 76 6.195 5.423 5.296 1.00 0.00 C ATOM 1105 O GLU A 76 5.696 4.900 4.299 1.00 0.00 O ATOM 1106 CB GLU A 76 7.908 7.244 5.212 1.00 0.00 C ATOM 1107 CG GLU A 76 9.265 7.710 5.712 1.00 0.00 C ATOM 1108 CD GLU A 76 10.409 6.899 5.134 1.00 0.00 C ATOM 1109 OE1 GLU A 76 10.486 6.783 3.893 1.00 0.00 O ATOM 1110 OE2 GLU A 76 11.227 6.380 5.923 1.00 0.00 O ATOM 0 H GLU A 76 8.135 5.268 3.359 1.00 0.00 H new ATOM 0 HA GLU A 76 8.073 5.409 6.318 1.00 0.00 H new ATOM 0 HB2 GLU A 76 7.802 7.522 4.163 1.00 0.00 H new ATOM 0 HB3 GLU A 76 7.127 7.770 5.762 1.00 0.00 H new ATOM 0 HG2 GLU A 76 9.402 8.760 5.454 1.00 0.00 H new ATOM 0 HG3 GLU A 76 9.290 7.643 6.800 1.00 0.00 H new ATOM 1117 N THR A 77 5.487 5.745 6.374 1.00 0.00 N ATOM 1118 CA THR A 77 4.053 5.496 6.449 1.00 0.00 C ATOM 1119 C THR A 77 3.272 6.543 5.663 1.00 0.00 C ATOM 1120 O THR A 77 3.511 7.742 5.799 1.00 0.00 O ATOM 1121 CB THR A 77 3.559 5.492 7.908 1.00 0.00 C ATOM 1122 OG1 THR A 77 3.808 6.766 8.513 1.00 0.00 O ATOM 1123 CG2 THR A 77 4.251 4.401 8.711 1.00 0.00 C ATOM 0 H THR A 77 5.884 6.179 7.207 1.00 0.00 H new ATOM 0 HA THR A 77 3.879 4.513 6.012 1.00 0.00 H new ATOM 0 HB THR A 77 2.487 5.294 7.904 1.00 0.00 H new ATOM 0 HG1 THR A 77 3.490 6.756 9.440 1.00 0.00 H new ATOM 0 HG21 THR A 77 3.886 4.418 9.738 1.00 0.00 H new ATOM 0 HG22 THR A 77 4.036 3.430 8.265 1.00 0.00 H new ATOM 0 HG23 THR A 77 5.327 4.573 8.706 1.00 0.00 H new ATOM 1131 N LEU A 78 2.335 6.081 4.841 1.00 0.00 N ATOM 1132 CA LEU A 78 1.517 6.979 4.033 1.00 0.00 C ATOM 1133 C LEU A 78 1.146 8.232 4.818 1.00 0.00 C ATOM 1134 O LEU A 78 1.186 9.343 4.289 1.00 0.00 O ATOM 1135 CB LEU A 78 0.249 6.262 3.564 1.00 0.00 C ATOM 1136 CG LEU A 78 0.477 5.141 2.549 1.00 0.00 C ATOM 1137 CD1 LEU A 78 -0.790 4.321 2.365 1.00 0.00 C ATOM 1138 CD2 LEU A 78 0.941 5.714 1.218 1.00 0.00 C ATOM 0 H LEU A 78 2.123 5.091 4.717 1.00 0.00 H new ATOM 0 HA LEU A 78 2.101 7.278 3.163 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.258 5.846 4.435 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -0.425 6.998 3.125 1.00 0.00 H new ATOM 0 HG LEU A 78 1.258 4.484 2.932 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -0.608 3.528 1.639 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.080 3.880 3.319 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -1.592 4.966 2.005 1.00 0.00 H new ATOM 0 HD21 LEU A 78 1.098 4.902 0.508 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.182 6.394 0.830 1.00 0.00 H new ATOM 0 HD23 LEU A 78 1.875 6.257 1.361 1.00 0.00 H new ATOM 1150 N ARG A 79 0.785 8.045 6.083 1.00 0.00 N ATOM 1151 CA ARG A 79 0.406 9.161 6.942 1.00 0.00 C ATOM 1152 C ARG A 79 1.494 10.230 6.957 1.00 0.00 C ATOM 1153 O ARG A 79 1.211 11.420 6.813 1.00 0.00 O ATOM 1154 CB ARG A 79 0.140 8.668 8.366 1.00 0.00 C ATOM 1155 CG ARG A 79 -0.091 9.790 9.365 1.00 0.00 C ATOM 1156 CD ARG A 79 1.211 10.242 10.006 1.00 0.00 C ATOM 1157 NE ARG A 79 1.934 9.131 10.619 1.00 0.00 N ATOM 1158 CZ ARG A 79 1.697 8.688 11.849 1.00 0.00 C ATOM 1159 NH1 ARG A 79 0.760 9.260 12.593 1.00 0.00 N ATOM 1160 NH2 ARG A 79 2.397 7.672 12.336 1.00 0.00 N ATOM 0 H ARG A 79 0.747 7.132 6.536 1.00 0.00 H new ATOM 0 HA ARG A 79 -0.506 9.602 6.541 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -0.732 8.014 8.358 1.00 0.00 H new ATOM 0 HB3 ARG A 79 0.986 8.066 8.697 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -0.563 10.634 8.863 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -0.781 9.453 10.139 1.00 0.00 H new ATOM 0 HD2 ARG A 79 1.842 10.713 9.252 1.00 0.00 H new ATOM 0 HD3 ARG A 79 0.999 10.998 10.762 1.00 0.00 H new ATOM 0 HE ARG A 79 2.661 8.670 10.073 1.00 0.00 H new ATOM 0 HH11 ARG A 79 0.220 10.041 12.221 1.00 0.00 H new ATOM 0 HH12 ARG A 79 0.579 8.919 13.537 1.00 0.00 H new ATOM 0 HH21 ARG A 79 3.118 7.230 11.766 1.00 0.00 H new ATOM 0 HH22 ARG A 79 2.214 7.333 13.280 1.00 0.00 H new ATOM 1174 N HIS A 80 2.738 9.798 7.134 1.00 0.00 N ATOM 1175 CA HIS A 80 3.869 10.719 7.168 1.00 0.00 C ATOM 1176 C HIS A 80 3.930 11.553 5.892 1.00 0.00 C ATOM 1177 O HIS A 80 4.137 12.765 5.940 1.00 0.00 O ATOM 1178 CB HIS A 80 5.177 9.947 7.349 1.00 0.00 C ATOM 1179 CG HIS A 80 6.388 10.826 7.404 1.00 0.00 C ATOM 1180 ND1 HIS A 80 7.040 11.138 8.578 1.00 0.00 N ATOM 1181 CD2 HIS A 80 7.068 11.459 6.419 1.00 0.00 C ATOM 1182 CE1 HIS A 80 8.066 11.926 8.314 1.00 0.00 C ATOM 1183 NE2 HIS A 80 8.106 12.136 7.010 1.00 0.00 N ATOM 0 H HIS A 80 2.989 8.817 7.256 1.00 0.00 H new ATOM 0 HA HIS A 80 3.732 11.392 8.015 1.00 0.00 H new ATOM 0 HB2 HIS A 80 5.120 9.363 8.267 1.00 0.00 H new ATOM 0 HB3 HIS A 80 5.289 9.240 6.527 1.00 0.00 H new ATOM 0 HD2 HIS A 80 6.837 11.436 5.364 1.00 0.00 H new ATOM 0 HE1 HIS A 80 8.755 12.330 9.040 1.00 0.00 H new ATOM 0 HE2 HIS A 80 8.796 12.708 6.522 1.00 0.00 H new ATOM 1192 N LEU A 81 3.749 10.895 4.752 1.00 0.00 N ATOM 1193 CA LEU A 81 3.783 11.575 3.462 1.00 0.00 C ATOM 1194 C LEU A 81 2.708 12.654 3.387 1.00 0.00 C ATOM 1195 O LEU A 81 2.955 13.758 2.903 1.00 0.00 O ATOM 1196 CB LEU A 81 3.594 10.568 2.326 1.00 0.00 C ATOM 1197 CG LEU A 81 4.549 9.375 2.352 1.00 0.00 C ATOM 1198 CD1 LEU A 81 4.179 8.370 1.273 1.00 0.00 C ATOM 1199 CD2 LEU A 81 5.987 9.840 2.179 1.00 0.00 C ATOM 0 H LEU A 81 3.577 9.891 4.695 1.00 0.00 H new ATOM 0 HA LEU A 81 4.757 12.052 3.356 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.570 10.195 2.358 1.00 0.00 H new ATOM 0 HB3 LEU A 81 3.714 11.089 1.376 1.00 0.00 H new ATOM 0 HG LEU A 81 4.460 8.885 3.321 1.00 0.00 H new ATOM 0 HD11 LEU A 81 4.870 7.528 1.308 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.163 8.013 1.442 1.00 0.00 H new ATOM 0 HD13 LEU A 81 4.238 8.848 0.295 1.00 0.00 H new ATOM 0 HD21 LEU A 81 6.653 8.978 2.200 1.00 0.00 H new ATOM 0 HD22 LEU A 81 6.090 10.355 1.224 1.00 0.00 H new ATOM 0 HD23 LEU A 81 6.249 10.521 2.989 1.00 0.00 H new ATOM 1211 N GLU A 82 1.513 12.325 3.869 1.00 0.00 N ATOM 1212 CA GLU A 82 0.399 13.265 3.855 1.00 0.00 C ATOM 1213 C GLU A 82 0.735 14.518 4.659 1.00 0.00 C ATOM 1214 O GLU A 82 0.381 15.630 4.270 1.00 0.00 O ATOM 1215 CB GLU A 82 -0.861 12.606 4.420 1.00 0.00 C ATOM 1216 CG GLU A 82 -2.128 13.410 4.182 1.00 0.00 C ATOM 1217 CD GLU A 82 -3.228 13.072 5.169 1.00 0.00 C ATOM 1218 OE1 GLU A 82 -3.374 11.879 5.508 1.00 0.00 O ATOM 1219 OE2 GLU A 82 -3.943 13.999 5.602 1.00 0.00 O ATOM 0 H GLU A 82 1.292 11.415 4.274 1.00 0.00 H new ATOM 0 HA GLU A 82 0.215 13.556 2.821 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -0.977 11.620 3.971 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -0.732 12.455 5.492 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -1.897 14.473 4.251 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -2.485 13.226 3.169 1.00 0.00 H new ATOM 1226 N GLN A 83 1.419 14.328 5.783 1.00 0.00 N ATOM 1227 CA GLN A 83 1.801 15.442 6.642 1.00 0.00 C ATOM 1228 C GLN A 83 2.861 16.309 5.971 1.00 0.00 C ATOM 1229 O GLN A 83 2.931 17.515 6.205 1.00 0.00 O ATOM 1230 CB GLN A 83 2.324 14.923 7.983 1.00 0.00 C ATOM 1231 CG GLN A 83 1.312 14.084 8.747 1.00 0.00 C ATOM 1232 CD GLN A 83 0.244 14.925 9.418 1.00 0.00 C ATOM 1233 OE1 GLN A 83 0.192 16.142 9.237 1.00 0.00 O ATOM 1234 NE2 GLN A 83 -0.615 14.280 10.197 1.00 0.00 N ATOM 0 H GLN A 83 1.720 13.413 6.120 1.00 0.00 H new ATOM 0 HA GLN A 83 0.916 16.053 6.817 1.00 0.00 H new ATOM 0 HB2 GLN A 83 3.220 14.327 7.808 1.00 0.00 H new ATOM 0 HB3 GLN A 83 2.621 15.771 8.600 1.00 0.00 H new ATOM 0 HG2 GLN A 83 0.838 13.381 8.062 1.00 0.00 H new ATOM 0 HG3 GLN A 83 1.831 13.493 9.502 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -0.535 13.270 10.318 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -1.356 14.794 10.674 1.00 0.00 H new ATOM 1243 N LYS A 84 3.684 15.686 5.134 1.00 0.00 N ATOM 1244 CA LYS A 84 4.741 16.400 4.427 1.00 0.00 C ATOM 1245 C LYS A 84 4.188 17.108 3.194 1.00 0.00 C ATOM 1246 O LYS A 84 4.941 17.666 2.397 1.00 0.00 O ATOM 1247 CB LYS A 84 5.853 15.432 4.017 1.00 0.00 C ATOM 1248 CG LYS A 84 6.422 14.633 5.176 1.00 0.00 C ATOM 1249 CD LYS A 84 7.474 15.423 5.935 1.00 0.00 C ATOM 1250 CE LYS A 84 8.806 15.426 5.201 1.00 0.00 C ATOM 1251 NZ LYS A 84 9.699 16.519 5.676 1.00 0.00 N ATOM 0 H LYS A 84 3.639 14.688 4.929 1.00 0.00 H new ATOM 0 HA LYS A 84 5.152 17.151 5.102 1.00 0.00 H new ATOM 0 HB2 LYS A 84 5.465 14.743 3.267 1.00 0.00 H new ATOM 0 HB3 LYS A 84 6.658 15.996 3.545 1.00 0.00 H new ATOM 0 HG2 LYS A 84 5.617 14.352 5.855 1.00 0.00 H new ATOM 0 HG3 LYS A 84 6.861 13.708 4.801 1.00 0.00 H new ATOM 0 HD2 LYS A 84 7.131 16.448 6.073 1.00 0.00 H new ATOM 0 HD3 LYS A 84 7.606 14.994 6.929 1.00 0.00 H new ATOM 0 HE2 LYS A 84 9.301 14.465 5.343 1.00 0.00 H new ATOM 0 HE3 LYS A 84 8.631 15.539 4.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 10.596 16.487 5.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 9.238 17.438 5.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 9.887 16.397 6.691 1.00 0.00 H new ATOM 1265 N GLY A 85 2.867 17.081 3.044 1.00 0.00 N ATOM 1266 CA GLY A 85 2.237 17.725 1.907 1.00 0.00 C ATOM 1267 C GLY A 85 2.571 17.042 0.595 1.00 0.00 C ATOM 1268 O GLY A 85 2.442 17.638 -0.474 1.00 0.00 O ATOM 0 H GLY A 85 2.223 16.625 3.690 1.00 0.00 H new ATOM 0 HA2 GLY A 85 1.156 17.727 2.047 1.00 0.00 H new ATOM 0 HA3 GLY A 85 2.554 18.767 1.862 1.00 0.00 H new ATOM 1272 N LEU A 86 3.002 15.788 0.676 1.00 0.00 N ATOM 1273 CA LEU A 86 3.357 15.023 -0.514 1.00 0.00 C ATOM 1274 C LEU A 86 2.205 14.123 -0.946 1.00 0.00 C ATOM 1275 O LEU A 86 1.879 14.039 -2.130 1.00 0.00 O ATOM 1276 CB LEU A 86 4.607 14.180 -0.248 1.00 0.00 C ATOM 1277 CG LEU A 86 5.724 14.898 0.509 1.00 0.00 C ATOM 1278 CD1 LEU A 86 6.581 13.900 1.270 1.00 0.00 C ATOM 1279 CD2 LEU A 86 6.577 15.715 -0.449 1.00 0.00 C ATOM 0 H LEU A 86 3.114 15.280 1.553 1.00 0.00 H new ATOM 0 HA LEU A 86 3.565 15.727 -1.320 1.00 0.00 H new ATOM 0 HB2 LEU A 86 4.316 13.295 0.318 1.00 0.00 H new ATOM 0 HB3 LEU A 86 5.002 13.832 -1.203 1.00 0.00 H new ATOM 0 HG LEU A 86 5.269 15.578 1.230 1.00 0.00 H new ATOM 0 HD11 LEU A 86 7.371 14.430 1.803 1.00 0.00 H new ATOM 0 HD12 LEU A 86 5.961 13.359 1.985 1.00 0.00 H new ATOM 0 HD13 LEU A 86 7.027 13.194 0.569 1.00 0.00 H new ATOM 0 HD21 LEU A 86 7.367 16.219 0.107 1.00 0.00 H new ATOM 0 HD22 LEU A 86 7.022 15.055 -1.194 1.00 0.00 H new ATOM 0 HD23 LEU A 86 5.954 16.457 -0.948 1.00 0.00 H new ATOM 1291 N LEU A 87 1.591 13.451 0.022 1.00 0.00 N ATOM 1292 CA LEU A 87 0.473 12.556 -0.258 1.00 0.00 C ATOM 1293 C LEU A 87 -0.854 13.215 0.102 1.00 0.00 C ATOM 1294 O LEU A 87 -0.920 14.054 1.000 1.00 0.00 O ATOM 1295 CB LEU A 87 0.635 11.248 0.518 1.00 0.00 C ATOM 1296 CG LEU A 87 -0.362 10.149 0.149 1.00 0.00 C ATOM 1297 CD1 LEU A 87 0.100 9.402 -1.092 1.00 0.00 C ATOM 1298 CD2 LEU A 87 -0.549 9.187 1.313 1.00 0.00 C ATOM 0 H LEU A 87 1.848 13.509 1.007 1.00 0.00 H new ATOM 0 HA LEU A 87 0.471 12.339 -1.326 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.645 10.870 0.357 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.540 11.461 1.583 1.00 0.00 H new ATOM 0 HG LEU A 87 -1.322 10.616 -0.070 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -0.623 8.624 -1.338 1.00 0.00 H new ATOM 0 HD12 LEU A 87 0.182 10.099 -1.926 1.00 0.00 H new ATOM 0 HD13 LEU A 87 1.072 8.947 -0.902 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -1.262 8.411 1.033 1.00 0.00 H new ATOM 0 HD22 LEU A 87 0.407 8.728 1.563 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -0.927 9.732 2.178 1.00 0.00 H new ATOM 1310 N PHE A 88 -1.911 12.828 -0.605 1.00 0.00 N ATOM 1311 CA PHE A 88 -3.238 13.380 -0.361 1.00 0.00 C ATOM 1312 C PHE A 88 -4.058 12.453 0.531 1.00 0.00 C ATOM 1313 O PHE A 88 -4.858 12.907 1.348 1.00 0.00 O ATOM 1314 CB PHE A 88 -3.969 13.611 -1.685 1.00 0.00 C ATOM 1315 CG PHE A 88 -4.753 12.418 -2.153 1.00 0.00 C ATOM 1316 CD1 PHE A 88 -4.130 11.196 -2.345 1.00 0.00 C ATOM 1317 CD2 PHE A 88 -6.112 12.520 -2.401 1.00 0.00 C ATOM 1318 CE1 PHE A 88 -4.849 10.096 -2.776 1.00 0.00 C ATOM 1319 CE2 PHE A 88 -6.836 11.424 -2.831 1.00 0.00 C ATOM 1320 CZ PHE A 88 -6.203 10.211 -3.019 1.00 0.00 C ATOM 0 H PHE A 88 -1.874 12.134 -1.352 1.00 0.00 H new ATOM 0 HA PHE A 88 -3.118 14.335 0.151 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -4.645 14.459 -1.575 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -3.241 13.881 -2.450 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -3.071 11.101 -2.156 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -6.611 13.467 -2.257 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -4.352 9.148 -2.922 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -7.895 11.516 -3.020 1.00 0.00 H new ATOM 0 HZ PHE A 88 -6.767 9.353 -3.356 1.00 0.00 H new ATOM 1330 N SER A 89 -3.853 11.150 0.366 1.00 0.00 N ATOM 1331 CA SER A 89 -4.577 10.157 1.152 1.00 0.00 C ATOM 1332 C SER A 89 -6.081 10.401 1.084 1.00 0.00 C ATOM 1333 O SER A 89 -6.788 10.272 2.083 1.00 0.00 O ATOM 1334 CB SER A 89 -4.108 10.188 2.608 1.00 0.00 C ATOM 1335 OG SER A 89 -4.807 9.234 3.389 1.00 0.00 O ATOM 0 H SER A 89 -3.192 10.757 -0.304 1.00 0.00 H new ATOM 0 HA SER A 89 -4.368 9.173 0.731 1.00 0.00 H new ATOM 0 HB2 SER A 89 -3.038 9.986 2.653 1.00 0.00 H new ATOM 0 HB3 SER A 89 -4.262 11.185 3.022 1.00 0.00 H new ATOM 0 HG SER A 89 -5.771 9.337 3.245 1.00 0.00 H new ATOM 1341 N GLY A 90 -6.564 10.755 -0.103 1.00 0.00 N ATOM 1342 CA GLY A 90 -7.981 11.013 -0.280 1.00 0.00 C ATOM 1343 C GLY A 90 -8.307 12.493 -0.276 1.00 0.00 C ATOM 1344 O GLY A 90 -7.420 13.345 -0.217 1.00 0.00 O ATOM 0 H GLY A 90 -5.999 10.868 -0.945 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -8.312 10.574 -1.221 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -8.539 10.519 0.516 1.00 0.00 H new ATOM 1348 N PRO A 91 -9.607 12.818 -0.341 1.00 0.00 N ATOM 1349 CA PRO A 91 -10.077 14.206 -0.348 1.00 0.00 C ATOM 1350 C PRO A 91 -9.872 14.894 0.998 1.00 0.00 C ATOM 1351 O PRO A 91 -10.259 16.048 1.181 1.00 0.00 O ATOM 1352 CB PRO A 91 -11.569 14.074 -0.659 1.00 0.00 C ATOM 1353 CG PRO A 91 -11.935 12.708 -0.190 1.00 0.00 C ATOM 1354 CD PRO A 91 -10.718 11.854 -0.414 1.00 0.00 C ATOM 0 HA PRO A 91 -9.531 14.818 -1.066 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -12.150 14.838 -0.143 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -11.763 14.192 -1.725 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -12.216 12.719 0.863 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -12.791 12.321 -0.744 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -10.627 11.077 0.345 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -10.752 11.352 -1.381 1.00 0.00 H new ATOM 1362 N SER A 92 -9.262 14.177 1.937 1.00 0.00 N ATOM 1363 CA SER A 92 -9.009 14.718 3.267 1.00 0.00 C ATOM 1364 C SER A 92 -8.292 16.061 3.181 1.00 0.00 C ATOM 1365 O SER A 92 -7.115 16.127 2.826 1.00 0.00 O ATOM 1366 CB SER A 92 -8.175 13.734 4.091 1.00 0.00 C ATOM 1367 OG SER A 92 -6.921 13.492 3.478 1.00 0.00 O ATOM 0 H SER A 92 -8.934 13.221 1.801 1.00 0.00 H new ATOM 0 HA SER A 92 -9.970 14.870 3.758 1.00 0.00 H new ATOM 0 HB2 SER A 92 -8.022 14.132 5.094 1.00 0.00 H new ATOM 0 HB3 SER A 92 -8.717 12.795 4.200 1.00 0.00 H new ATOM 0 HG SER A 92 -6.648 14.283 2.968 1.00 0.00 H new ATOM 1373 N SER A 93 -9.010 17.131 3.507 1.00 0.00 N ATOM 1374 CA SER A 93 -8.445 18.474 3.463 1.00 0.00 C ATOM 1375 C SER A 93 -7.310 18.619 4.472 1.00 0.00 C ATOM 1376 O SER A 93 -7.527 18.554 5.681 1.00 0.00 O ATOM 1377 CB SER A 93 -9.529 19.516 3.745 1.00 0.00 C ATOM 1378 OG SER A 93 -9.013 20.832 3.635 1.00 0.00 O ATOM 0 H SER A 93 -9.985 17.094 3.805 1.00 0.00 H new ATOM 0 HA SER A 93 -8.043 18.640 2.463 1.00 0.00 H new ATOM 0 HB2 SER A 93 -10.354 19.386 3.045 1.00 0.00 H new ATOM 0 HB3 SER A 93 -9.933 19.363 4.746 1.00 0.00 H new ATOM 0 HG SER A 93 -9.726 21.479 3.818 1.00 0.00 H new ATOM 1384 N GLY A 94 -6.097 18.817 3.965 1.00 0.00 N ATOM 1385 CA GLY A 94 -4.945 18.968 4.834 1.00 0.00 C ATOM 1386 C GLY A 94 -3.987 20.037 4.347 1.00 0.00 C ATOM 1387 O GLY A 94 -3.933 21.132 4.905 1.00 0.00 O ATOM 0 H GLY A 94 -5.892 18.876 2.968 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -5.283 19.218 5.840 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -4.418 18.016 4.902 1.00 0.00 H new TER 1391 GLY A 94