USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 574 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 NoAdj-H: A 98 HIS HD1 : A 98 HIS ND1 : A 300 ZNZN :(H bumps) USER MOD NoAdj-H: A 101 HIS HD1 : A 101 HIS ND1 : A 200 ZNZN :(H bumps) USER MOD Single : A 62 SER OG : rot 180:sc= -0.0674 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 75 HIS : no HD1:sc= -0.987 K(o=-0.99,f=-0.29) USER MOD Single : A 86 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.00391) USER MOD Single : A 94 CYS SG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.152) USER MOD Single : A 113 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0551) USER MOD Single : A 119 ASN : amide:sc=-0.00881 X(o=-0.0088,f=-0.21) USER MOD Single : A 120 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 124 GLN : amide:sc= -3.06! C(o=-3.1!,f=-3.3!) USER MOD Single : A 127 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 129 SER OG : rot 180:sc= -0.0131 USER MOD Single : A 132 SER OG : rot 180:sc= 0 USER MOD Single : A 133 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 61 -20.200 -5.345 25.531 1.00 0.00 N ATOM 2 CA GLY A 61 -20.891 -4.521 24.557 1.00 0.00 C ATOM 3 C GLY A 61 -19.999 -4.122 23.398 1.00 0.00 C ATOM 4 O GLY A 61 -18.775 -4.224 23.485 1.00 0.00 O ATOM 0 HA2 GLY A 61 -21.756 -5.063 24.176 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -21.268 -3.623 25.047 1.00 0.00 H new ATOM 8 N SER A 62 -20.612 -3.667 22.310 1.00 0.00 N ATOM 9 CA SER A 62 -19.865 -3.256 21.127 1.00 0.00 C ATOM 10 C SER A 62 -19.705 -1.740 21.085 1.00 0.00 C ATOM 11 O SER A 62 -20.397 -1.012 21.796 1.00 0.00 O ATOM 12 CB SER A 62 -20.571 -3.742 19.859 1.00 0.00 C ATOM 13 OG SER A 62 -19.792 -3.471 18.707 1.00 0.00 O ATOM 0 H SER A 62 -21.624 -3.574 22.223 1.00 0.00 H new ATOM 0 HA SER A 62 -18.874 -3.706 21.178 1.00 0.00 H new ATOM 0 HB2 SER A 62 -20.759 -4.813 19.931 1.00 0.00 H new ATOM 0 HB3 SER A 62 -21.541 -3.254 19.769 1.00 0.00 H new ATOM 0 HG SER A 62 -20.264 -3.792 17.910 1.00 0.00 H new ATOM 19 N SER A 63 -18.787 -1.271 20.246 1.00 0.00 N ATOM 20 CA SER A 63 -18.532 0.158 20.112 1.00 0.00 C ATOM 21 C SER A 63 -19.728 0.867 19.482 1.00 0.00 C ATOM 22 O SER A 63 -20.718 0.234 19.120 1.00 0.00 O ATOM 23 CB SER A 63 -17.280 0.398 19.268 1.00 0.00 C ATOM 24 OG SER A 63 -17.458 -0.077 17.944 1.00 0.00 O ATOM 0 H SER A 63 -18.207 -1.860 19.649 1.00 0.00 H new ATOM 0 HA SER A 63 -18.373 0.568 21.109 1.00 0.00 H new ATOM 0 HB2 SER A 63 -17.050 1.463 19.248 1.00 0.00 H new ATOM 0 HB3 SER A 63 -16.427 -0.103 19.726 1.00 0.00 H new ATOM 0 HG SER A 63 -16.644 0.090 17.424 1.00 0.00 H new ATOM 30 N GLY A 64 -19.626 2.187 19.355 1.00 0.00 N ATOM 31 CA GLY A 64 -20.704 2.961 18.769 1.00 0.00 C ATOM 32 C GLY A 64 -20.213 4.237 18.114 1.00 0.00 C ATOM 33 O GLY A 64 -20.102 5.274 18.767 1.00 0.00 O ATOM 0 H GLY A 64 -18.816 2.733 19.648 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -21.223 2.353 18.028 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -21.431 3.210 19.543 1.00 0.00 H new ATOM 37 N SER A 65 -19.916 4.160 16.821 1.00 0.00 N ATOM 38 CA SER A 65 -19.428 5.316 16.079 1.00 0.00 C ATOM 39 C SER A 65 -20.491 5.829 15.112 1.00 0.00 C ATOM 40 O SER A 65 -20.590 5.362 13.977 1.00 0.00 O ATOM 41 CB SER A 65 -18.154 4.956 15.311 1.00 0.00 C ATOM 42 OG SER A 65 -17.601 6.097 14.678 1.00 0.00 O ATOM 0 H SER A 65 -20.005 3.309 16.266 1.00 0.00 H new ATOM 0 HA SER A 65 -19.201 6.106 16.794 1.00 0.00 H new ATOM 0 HB2 SER A 65 -17.423 4.525 15.995 1.00 0.00 H new ATOM 0 HB3 SER A 65 -18.379 4.195 14.564 1.00 0.00 H new ATOM 0 HG SER A 65 -16.787 5.841 14.195 1.00 0.00 H new ATOM 48 N SER A 66 -21.283 6.793 15.570 1.00 0.00 N ATOM 49 CA SER A 66 -22.342 7.367 14.748 1.00 0.00 C ATOM 50 C SER A 66 -21.871 7.555 13.309 1.00 0.00 C ATOM 51 O SER A 66 -20.915 8.284 13.047 1.00 0.00 O ATOM 52 CB SER A 66 -22.796 8.708 15.327 1.00 0.00 C ATOM 53 OG SER A 66 -23.530 8.524 16.525 1.00 0.00 O ATOM 0 H SER A 66 -21.212 7.193 16.506 1.00 0.00 H new ATOM 0 HA SER A 66 -23.184 6.675 14.749 1.00 0.00 H new ATOM 0 HB2 SER A 66 -21.927 9.336 15.522 1.00 0.00 H new ATOM 0 HB3 SER A 66 -23.412 9.233 14.597 1.00 0.00 H new ATOM 0 HG SER A 66 -23.807 9.396 16.876 1.00 0.00 H new ATOM 59 N GLY A 67 -22.550 6.891 12.378 1.00 0.00 N ATOM 60 CA GLY A 67 -22.187 6.998 10.977 1.00 0.00 C ATOM 61 C GLY A 67 -22.963 8.083 10.258 1.00 0.00 C ATOM 62 O GLY A 67 -24.011 8.525 10.730 1.00 0.00 O ATOM 0 H GLY A 67 -23.345 6.281 12.569 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -21.120 7.205 10.896 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -22.365 6.042 10.485 1.00 0.00 H new ATOM 66 N LYS A 68 -22.448 8.516 9.113 1.00 0.00 N ATOM 67 CA LYS A 68 -23.099 9.557 8.326 1.00 0.00 C ATOM 68 C LYS A 68 -23.280 9.112 6.878 1.00 0.00 C ATOM 69 O LYS A 68 -22.556 8.245 6.390 1.00 0.00 O ATOM 70 CB LYS A 68 -22.279 10.849 8.374 1.00 0.00 C ATOM 71 CG LYS A 68 -22.877 11.980 7.555 1.00 0.00 C ATOM 72 CD LYS A 68 -22.107 13.275 7.748 1.00 0.00 C ATOM 73 CE LYS A 68 -22.402 14.270 6.635 1.00 0.00 C ATOM 74 NZ LYS A 68 -21.504 14.073 5.463 1.00 0.00 N ATOM 0 H LYS A 68 -21.581 8.162 8.709 1.00 0.00 H new ATOM 0 HA LYS A 68 -24.083 9.741 8.757 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -22.186 11.172 9.411 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -21.271 10.643 8.013 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -22.874 11.707 6.500 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -23.918 12.128 7.843 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -22.369 13.715 8.710 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -21.038 13.064 7.775 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -23.440 14.165 6.319 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -22.286 15.285 7.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -21.736 14.770 4.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -20.515 14.199 5.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -21.633 13.113 5.084 1.00 0.00 H new ATOM 88 N VAL A 69 -24.251 9.712 6.197 1.00 0.00 N ATOM 89 CA VAL A 69 -24.525 9.379 4.804 1.00 0.00 C ATOM 90 C VAL A 69 -23.235 9.105 4.040 1.00 0.00 C ATOM 91 O VAL A 69 -22.353 9.960 3.960 1.00 0.00 O ATOM 92 CB VAL A 69 -25.296 10.511 4.098 1.00 0.00 C ATOM 93 CG1 VAL A 69 -25.509 10.176 2.630 1.00 0.00 C ATOM 94 CG2 VAL A 69 -26.625 10.764 4.794 1.00 0.00 C ATOM 0 H VAL A 69 -24.861 10.431 6.587 1.00 0.00 H new ATOM 0 HA VAL A 69 -25.139 8.478 4.809 1.00 0.00 H new ATOM 0 HB VAL A 69 -24.702 11.423 4.155 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -26.055 10.987 2.147 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -24.543 10.048 2.142 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -26.082 9.253 2.547 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -27.157 11.566 4.283 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -27.227 9.856 4.769 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -26.444 11.051 5.830 1.00 0.00 H new ATOM 104 N LYS A 70 -23.131 7.905 3.478 1.00 0.00 N ATOM 105 CA LYS A 70 -21.949 7.516 2.717 1.00 0.00 C ATOM 106 C LYS A 70 -22.289 6.428 1.704 1.00 0.00 C ATOM 107 O LYS A 70 -23.195 5.625 1.923 1.00 0.00 O ATOM 108 CB LYS A 70 -20.849 7.024 3.661 1.00 0.00 C ATOM 109 CG LYS A 70 -21.205 5.742 4.393 1.00 0.00 C ATOM 110 CD LYS A 70 -20.727 4.515 3.634 1.00 0.00 C ATOM 111 CE LYS A 70 -21.037 3.234 4.393 1.00 0.00 C ATOM 112 NZ LYS A 70 -19.963 2.893 5.367 1.00 0.00 N ATOM 0 H LYS A 70 -23.851 7.185 3.535 1.00 0.00 H new ATOM 0 HA LYS A 70 -21.590 8.392 2.176 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -19.935 6.864 3.089 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -20.635 7.803 4.393 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -20.758 5.753 5.387 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -22.285 5.688 4.530 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -21.204 4.483 2.654 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -19.653 4.587 3.463 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -21.984 3.345 4.921 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -21.160 2.414 3.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -20.211 2.014 5.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -19.064 2.762 4.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -19.863 3.664 6.057 1.00 0.00 H new ATOM 126 N GLU A 71 -21.554 6.407 0.596 1.00 0.00 N ATOM 127 CA GLU A 71 -21.778 5.416 -0.450 1.00 0.00 C ATOM 128 C GLU A 71 -20.532 5.245 -1.314 1.00 0.00 C ATOM 129 O GLU A 71 -20.147 6.151 -2.054 1.00 0.00 O ATOM 130 CB GLU A 71 -22.966 5.824 -1.324 1.00 0.00 C ATOM 131 CG GLU A 71 -24.307 5.353 -0.787 1.00 0.00 C ATOM 132 CD GLU A 71 -25.446 5.613 -1.753 1.00 0.00 C ATOM 133 OE1 GLU A 71 -25.355 5.158 -2.913 1.00 0.00 O ATOM 134 OE2 GLU A 71 -26.428 6.270 -1.350 1.00 0.00 O ATOM 0 H GLU A 71 -20.799 7.064 0.400 1.00 0.00 H new ATOM 0 HA GLU A 71 -22.000 4.463 0.030 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -22.982 6.910 -1.416 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -22.824 5.421 -2.327 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -24.254 4.286 -0.573 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -24.514 5.858 0.157 1.00 0.00 H new ATOM 141 N LEU A 72 -19.905 4.078 -1.214 1.00 0.00 N ATOM 142 CA LEU A 72 -18.702 3.787 -1.985 1.00 0.00 C ATOM 143 C LEU A 72 -18.872 2.508 -2.798 1.00 0.00 C ATOM 144 O LEU A 72 -19.182 1.450 -2.251 1.00 0.00 O ATOM 145 CB LEU A 72 -17.495 3.657 -1.054 1.00 0.00 C ATOM 146 CG LEU A 72 -16.945 4.964 -0.481 1.00 0.00 C ATOM 147 CD1 LEU A 72 -17.748 5.393 0.736 1.00 0.00 C ATOM 148 CD2 LEU A 72 -15.473 4.812 -0.125 1.00 0.00 C ATOM 0 H LEU A 72 -20.210 3.318 -0.606 1.00 0.00 H new ATOM 0 HA LEU A 72 -18.534 4.614 -2.675 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -17.770 3.007 -0.223 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -16.694 3.157 -1.598 1.00 0.00 H new ATOM 0 HG LEU A 72 -17.036 5.739 -1.242 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -17.342 6.325 1.130 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -18.789 5.543 0.451 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -17.690 4.619 1.502 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -15.098 5.751 0.281 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -15.358 4.023 0.619 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -14.907 4.552 -1.020 1.00 0.00 H new ATOM 160 N ASN A 73 -18.663 2.612 -4.106 1.00 0.00 N ATOM 161 CA ASN A 73 -18.792 1.463 -4.995 1.00 0.00 C ATOM 162 C ASN A 73 -17.457 1.134 -5.656 1.00 0.00 C ATOM 163 O ASN A 73 -17.398 0.849 -6.853 1.00 0.00 O ATOM 164 CB ASN A 73 -19.851 1.735 -6.065 1.00 0.00 C ATOM 165 CG ASN A 73 -21.245 1.860 -5.481 1.00 0.00 C ATOM 166 OD1 ASN A 73 -21.556 2.832 -4.792 1.00 0.00 O ATOM 167 ND2 ASN A 73 -22.091 0.874 -5.754 1.00 0.00 N ATOM 0 H ASN A 73 -18.404 3.480 -4.574 1.00 0.00 H new ATOM 0 HA ASN A 73 -19.102 0.606 -4.397 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -19.599 2.653 -6.596 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -19.838 0.928 -6.798 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -23.043 0.903 -5.388 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -21.789 0.088 -6.330 1.00 0.00 H new ATOM 174 N LEU A 74 -16.387 1.175 -4.869 1.00 0.00 N ATOM 175 CA LEU A 74 -15.052 0.882 -5.377 1.00 0.00 C ATOM 176 C LEU A 74 -14.420 -0.275 -4.610 1.00 0.00 C ATOM 177 O LEU A 74 -14.237 -0.201 -3.394 1.00 0.00 O ATOM 178 CB LEU A 74 -14.162 2.122 -5.277 1.00 0.00 C ATOM 179 CG LEU A 74 -14.489 3.262 -6.243 1.00 0.00 C ATOM 180 CD1 LEU A 74 -13.861 4.562 -5.766 1.00 0.00 C ATOM 181 CD2 LEU A 74 -14.014 2.923 -7.648 1.00 0.00 C ATOM 0 H LEU A 74 -16.419 1.408 -3.877 1.00 0.00 H new ATOM 0 HA LEU A 74 -15.144 0.593 -6.424 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -14.222 2.507 -4.259 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -13.129 1.817 -5.442 1.00 0.00 H new ATOM 0 HG LEU A 74 -15.571 3.392 -6.268 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -14.104 5.362 -6.466 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -14.249 4.813 -4.779 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -12.779 4.445 -5.711 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -14.255 3.745 -8.322 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -12.936 2.765 -7.639 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -14.511 2.015 -7.991 1.00 0.00 H new ATOM 193 N HIS A 75 -14.085 -1.342 -5.328 1.00 0.00 N ATOM 194 CA HIS A 75 -13.470 -2.514 -4.715 1.00 0.00 C ATOM 195 C HIS A 75 -11.976 -2.293 -4.498 1.00 0.00 C ATOM 196 O HIS A 75 -11.163 -3.176 -4.768 1.00 0.00 O ATOM 197 CB HIS A 75 -13.692 -3.749 -5.588 1.00 0.00 C ATOM 198 CG HIS A 75 -12.917 -3.724 -6.870 1.00 0.00 C ATOM 199 ND1 HIS A 75 -12.460 -4.864 -7.496 1.00 0.00 N ATOM 200 CD2 HIS A 75 -12.522 -2.687 -7.645 1.00 0.00 C ATOM 201 CE1 HIS A 75 -11.815 -4.530 -8.599 1.00 0.00 C ATOM 202 NE2 HIS A 75 -11.838 -3.214 -8.713 1.00 0.00 N ATOM 0 H HIS A 75 -14.229 -1.419 -6.335 1.00 0.00 H new ATOM 0 HA HIS A 75 -13.941 -2.674 -3.745 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -13.414 -4.638 -5.022 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -14.754 -3.836 -5.817 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -12.710 -1.640 -7.458 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -11.348 -5.216 -9.290 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -11.416 -2.677 -9.471 1.00 0.00 H new ATOM 210 N GLU A 76 -11.623 -1.108 -4.009 1.00 0.00 N ATOM 211 CA GLU A 76 -10.227 -0.771 -3.757 1.00 0.00 C ATOM 212 C GLU A 76 -10.023 -0.345 -2.306 1.00 0.00 C ATOM 213 O GLU A 76 -10.083 0.842 -1.981 1.00 0.00 O ATOM 214 CB GLU A 76 -9.772 0.347 -4.697 1.00 0.00 C ATOM 215 CG GLU A 76 -9.646 -0.090 -6.147 1.00 0.00 C ATOM 216 CD GLU A 76 -8.849 0.891 -6.985 1.00 0.00 C ATOM 217 OE1 GLU A 76 -7.682 1.162 -6.632 1.00 0.00 O ATOM 218 OE2 GLU A 76 -9.393 1.387 -7.994 1.00 0.00 O ATOM 0 H GLU A 76 -12.284 -0.366 -3.780 1.00 0.00 H new ATOM 0 HA GLU A 76 -9.626 -1.661 -3.944 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -10.481 1.173 -4.636 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -8.809 0.727 -4.356 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -9.168 -1.069 -6.187 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -10.642 -0.204 -6.576 1.00 0.00 H new ATOM 225 N LEU A 77 -9.783 -1.321 -1.438 1.00 0.00 N ATOM 226 CA LEU A 77 -9.570 -1.048 -0.020 1.00 0.00 C ATOM 227 C LEU A 77 -8.197 -1.539 0.429 1.00 0.00 C ATOM 228 O LEU A 77 -7.802 -2.667 0.133 1.00 0.00 O ATOM 229 CB LEU A 77 -10.662 -1.717 0.817 1.00 0.00 C ATOM 230 CG LEU A 77 -12.096 -1.536 0.318 1.00 0.00 C ATOM 231 CD1 LEU A 77 -13.036 -2.488 1.041 1.00 0.00 C ATOM 232 CD2 LEU A 77 -12.547 -0.094 0.504 1.00 0.00 C ATOM 0 H LEU A 77 -9.731 -2.308 -1.690 1.00 0.00 H new ATOM 0 HA LEU A 77 -9.616 0.031 0.128 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -10.449 -2.785 0.869 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -10.601 -1.330 1.834 1.00 0.00 H new ATOM 0 HG LEU A 77 -12.123 -1.770 -0.746 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -14.052 -2.345 0.673 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -12.725 -3.516 0.857 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -13.006 -2.286 2.112 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -13.570 0.017 0.144 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -12.505 0.167 1.561 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -11.890 0.568 -0.060 1.00 0.00 H new ATOM 244 N CYS A 78 -7.475 -0.684 1.146 1.00 0.00 N ATOM 245 CA CYS A 78 -6.147 -1.030 1.638 1.00 0.00 C ATOM 246 C CYS A 78 -6.201 -2.271 2.524 1.00 0.00 C ATOM 247 O CYS A 78 -6.761 -2.239 3.620 1.00 0.00 O ATOM 248 CB CYS A 78 -5.548 0.142 2.418 1.00 0.00 C ATOM 249 SG CYS A 78 -3.882 -0.179 3.081 1.00 0.00 S ATOM 0 H CYS A 78 -7.788 0.253 1.399 1.00 0.00 H new ATOM 0 HA CYS A 78 -5.513 -1.247 0.778 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -5.506 1.015 1.766 1.00 0.00 H new ATOM 0 HB3 CYS A 78 -6.214 0.393 3.244 1.00 0.00 H new ATOM 254 N ALA A 79 -5.615 -3.362 2.042 1.00 0.00 N ATOM 255 CA ALA A 79 -5.594 -4.612 2.791 1.00 0.00 C ATOM 256 C ALA A 79 -4.792 -4.467 4.080 1.00 0.00 C ATOM 257 O ALA A 79 -5.107 -5.091 5.093 1.00 0.00 O ATOM 258 CB ALA A 79 -5.022 -5.731 1.934 1.00 0.00 C ATOM 0 H ALA A 79 -5.148 -3.405 1.136 1.00 0.00 H new ATOM 0 HA ALA A 79 -6.620 -4.863 3.059 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -5.012 -6.659 2.506 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -5.639 -5.860 1.045 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -4.004 -5.478 1.636 1.00 0.00 H new ATOM 264 N VAL A 80 -3.753 -3.639 4.035 1.00 0.00 N ATOM 265 CA VAL A 80 -2.906 -3.411 5.199 1.00 0.00 C ATOM 266 C VAL A 80 -3.733 -2.982 6.405 1.00 0.00 C ATOM 267 O VAL A 80 -3.628 -3.567 7.484 1.00 0.00 O ATOM 268 CB VAL A 80 -1.838 -2.339 4.915 1.00 0.00 C ATOM 269 CG1 VAL A 80 -0.887 -2.205 6.095 1.00 0.00 C ATOM 270 CG2 VAL A 80 -1.076 -2.670 3.641 1.00 0.00 C ATOM 0 H VAL A 80 -3.478 -3.115 3.204 1.00 0.00 H new ATOM 0 HA VAL A 80 -2.411 -4.357 5.420 1.00 0.00 H new ATOM 0 HB VAL A 80 -2.339 -1.382 4.773 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -0.140 -1.443 5.875 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -1.448 -1.917 6.984 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -0.391 -3.159 6.273 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -0.325 -1.902 3.456 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -0.586 -3.637 3.751 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.770 -2.709 2.802 1.00 0.00 H new ATOM 280 N CYS A 81 -4.557 -1.957 6.216 1.00 0.00 N ATOM 281 CA CYS A 81 -5.404 -1.448 7.288 1.00 0.00 C ATOM 282 C CYS A 81 -6.880 -1.629 6.948 1.00 0.00 C ATOM 283 O CYS A 81 -7.747 -0.968 7.522 1.00 0.00 O ATOM 284 CB CYS A 81 -5.105 0.030 7.544 1.00 0.00 C ATOM 285 SG CYS A 81 -5.436 1.113 6.118 1.00 0.00 S ATOM 0 H CYS A 81 -4.656 -1.462 5.330 1.00 0.00 H new ATOM 0 HA CYS A 81 -5.186 -2.018 8.191 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -5.702 0.369 8.391 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -4.058 0.134 7.830 1.00 0.00 H new ATOM 290 N LEU A 82 -7.159 -2.527 6.010 1.00 0.00 N ATOM 291 CA LEU A 82 -8.531 -2.795 5.591 1.00 0.00 C ATOM 292 C LEU A 82 -9.357 -1.513 5.578 1.00 0.00 C ATOM 293 O LEU A 82 -10.409 -1.435 6.213 1.00 0.00 O ATOM 294 CB LEU A 82 -9.177 -3.823 6.523 1.00 0.00 C ATOM 295 CG LEU A 82 -8.451 -5.162 6.651 1.00 0.00 C ATOM 296 CD1 LEU A 82 -8.690 -5.769 8.025 1.00 0.00 C ATOM 297 CD2 LEU A 82 -8.901 -6.120 5.557 1.00 0.00 C ATOM 0 H LEU A 82 -6.454 -3.082 5.525 1.00 0.00 H new ATOM 0 HA LEU A 82 -8.504 -3.197 4.578 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -9.261 -3.381 7.516 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -10.191 -4.014 6.173 1.00 0.00 H new ATOM 0 HG LEU A 82 -7.382 -4.986 6.535 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -8.166 -6.722 8.098 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -8.318 -5.090 8.792 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -9.758 -5.931 8.171 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -8.374 -7.068 5.664 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -9.974 -6.290 5.641 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -8.678 -5.689 4.581 1.00 0.00 H new ATOM 309 N GLU A 83 -8.874 -0.511 4.850 1.00 0.00 N ATOM 310 CA GLU A 83 -9.570 0.767 4.754 1.00 0.00 C ATOM 311 C GLU A 83 -9.491 1.324 3.336 1.00 0.00 C ATOM 312 O GLU A 83 -8.448 1.251 2.686 1.00 0.00 O ATOM 313 CB GLU A 83 -8.974 1.772 5.742 1.00 0.00 C ATOM 314 CG GLU A 83 -9.523 1.637 7.153 1.00 0.00 C ATOM 315 CD GLU A 83 -9.308 2.887 7.984 1.00 0.00 C ATOM 316 OE1 GLU A 83 -9.273 3.990 7.400 1.00 0.00 O ATOM 317 OE2 GLU A 83 -9.176 2.762 9.220 1.00 0.00 O ATOM 0 H GLU A 83 -8.005 -0.559 4.319 1.00 0.00 H new ATOM 0 HA GLU A 83 -10.618 0.601 5.003 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -7.892 1.645 5.768 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -9.167 2.782 5.381 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -10.589 1.416 7.105 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -9.044 0.791 7.646 1.00 0.00 H new ATOM 324 N ASP A 84 -10.602 1.878 2.862 1.00 0.00 N ATOM 325 CA ASP A 84 -10.660 2.448 1.521 1.00 0.00 C ATOM 326 C ASP A 84 -9.517 3.435 1.300 1.00 0.00 C ATOM 327 O ASP A 84 -8.786 3.772 2.231 1.00 0.00 O ATOM 328 CB ASP A 84 -12.003 3.146 1.298 1.00 0.00 C ATOM 329 CG ASP A 84 -12.448 3.945 2.507 1.00 0.00 C ATOM 330 OD1 ASP A 84 -11.694 4.844 2.933 1.00 0.00 O ATOM 331 OD2 ASP A 84 -13.550 3.671 3.027 1.00 0.00 O ATOM 0 H ASP A 84 -11.474 1.944 3.387 1.00 0.00 H new ATOM 0 HA ASP A 84 -10.558 1.635 0.803 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -11.926 3.809 0.436 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -12.762 2.400 1.060 1.00 0.00 H new ATOM 336 N PHE A 85 -9.370 3.893 0.061 1.00 0.00 N ATOM 337 CA PHE A 85 -8.315 4.839 -0.283 1.00 0.00 C ATOM 338 C PHE A 85 -8.875 6.252 -0.420 1.00 0.00 C ATOM 339 O PHE A 85 -9.909 6.464 -1.054 1.00 0.00 O ATOM 340 CB PHE A 85 -7.631 4.421 -1.586 1.00 0.00 C ATOM 341 CG PHE A 85 -7.007 3.056 -1.525 1.00 0.00 C ATOM 342 CD1 PHE A 85 -5.942 2.805 -0.676 1.00 0.00 C ATOM 343 CD2 PHE A 85 -7.486 2.025 -2.317 1.00 0.00 C ATOM 344 CE1 PHE A 85 -5.365 1.550 -0.616 1.00 0.00 C ATOM 345 CE2 PHE A 85 -6.914 0.768 -2.261 1.00 0.00 C ATOM 346 CZ PHE A 85 -5.851 0.531 -1.411 1.00 0.00 C ATOM 0 H PHE A 85 -9.968 3.625 -0.721 1.00 0.00 H new ATOM 0 HA PHE A 85 -7.581 4.835 0.522 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -8.363 4.441 -2.394 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -6.862 5.152 -1.834 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -5.558 3.599 -0.053 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -8.315 2.205 -2.985 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -4.536 1.367 0.051 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -7.298 -0.028 -2.881 1.00 0.00 H new ATOM 0 HZ PHE A 85 -5.401 -0.450 -1.368 1.00 0.00 H new ATOM 356 N LYS A 86 -8.185 7.216 0.180 1.00 0.00 N ATOM 357 CA LYS A 86 -8.611 8.610 0.126 1.00 0.00 C ATOM 358 C LYS A 86 -7.494 9.500 -0.409 1.00 0.00 C ATOM 359 O LYS A 86 -6.308 9.192 -0.283 1.00 0.00 O ATOM 360 CB LYS A 86 -9.038 9.088 1.515 1.00 0.00 C ATOM 361 CG LYS A 86 -7.937 8.988 2.557 1.00 0.00 C ATOM 362 CD LYS A 86 -8.408 9.483 3.915 1.00 0.00 C ATOM 363 CE LYS A 86 -9.272 8.446 4.617 1.00 0.00 C ATOM 364 NZ LYS A 86 -9.481 8.780 6.053 1.00 0.00 N ATOM 0 H LYS A 86 -7.328 7.058 0.710 1.00 0.00 H new ATOM 0 HA LYS A 86 -9.462 8.678 -0.552 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -9.370 10.124 1.448 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -9.894 8.500 1.845 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -7.607 7.953 2.641 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -7.075 9.572 2.234 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -7.545 9.720 4.537 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -8.974 10.406 3.791 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -10.237 8.378 4.116 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -8.801 7.466 4.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -9.987 8.001 6.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -8.560 8.920 6.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -10.042 9.652 6.128 1.00 0.00 H new ATOM 378 N PRO A 87 -7.878 10.631 -1.020 1.00 0.00 N ATOM 379 CA PRO A 87 -6.923 11.589 -1.584 1.00 0.00 C ATOM 380 C PRO A 87 -6.133 12.324 -0.506 1.00 0.00 C ATOM 381 O PRO A 87 -5.010 12.769 -0.741 1.00 0.00 O ATOM 382 CB PRO A 87 -7.815 12.567 -2.353 1.00 0.00 C ATOM 383 CG PRO A 87 -9.140 12.482 -1.678 1.00 0.00 C ATOM 384 CD PRO A 87 -9.274 11.061 -1.206 1.00 0.00 C ATOM 0 HA PRO A 87 -6.171 11.099 -2.202 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -7.416 13.581 -2.315 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -7.888 12.292 -3.405 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -9.197 13.178 -0.841 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -9.945 12.743 -2.365 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -9.841 10.998 -0.277 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -9.791 10.441 -1.938 1.00 0.00 H new ATOM 392 N ARG A 88 -6.728 12.446 0.676 1.00 0.00 N ATOM 393 CA ARG A 88 -6.079 13.128 1.791 1.00 0.00 C ATOM 394 C ARG A 88 -4.731 12.488 2.109 1.00 0.00 C ATOM 395 O ARG A 88 -3.802 13.163 2.554 1.00 0.00 O ATOM 396 CB ARG A 88 -6.977 13.094 3.029 1.00 0.00 C ATOM 397 CG ARG A 88 -8.118 14.097 2.982 1.00 0.00 C ATOM 398 CD ARG A 88 -8.751 14.285 4.352 1.00 0.00 C ATOM 399 NE ARG A 88 -9.598 13.155 4.723 1.00 0.00 N ATOM 400 CZ ARG A 88 -10.249 13.073 5.879 1.00 0.00 C ATOM 401 NH1 ARG A 88 -10.150 14.050 6.770 1.00 0.00 N ATOM 402 NH2 ARG A 88 -11.001 12.013 6.144 1.00 0.00 N ATOM 0 H ARG A 88 -7.657 12.082 0.887 1.00 0.00 H new ATOM 0 HA ARG A 88 -5.910 14.165 1.502 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -7.390 12.092 3.140 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -6.370 13.288 3.913 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -7.747 15.055 2.617 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -8.874 13.757 2.274 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -7.967 14.411 5.099 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -9.345 15.199 4.355 1.00 0.00 H new ATOM 0 HE ARG A 88 -9.695 12.387 4.059 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -9.573 14.867 6.569 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -10.651 13.985 7.656 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -11.080 11.260 5.460 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -11.500 11.951 7.031 1.00 0.00 H new ATOM 416 N ASP A 89 -4.632 11.184 1.878 1.00 0.00 N ATOM 417 CA ASP A 89 -3.397 10.453 2.139 1.00 0.00 C ATOM 418 C ASP A 89 -2.820 9.883 0.847 1.00 0.00 C ATOM 419 O ASP A 89 -3.384 8.962 0.257 1.00 0.00 O ATOM 420 CB ASP A 89 -3.650 9.325 3.141 1.00 0.00 C ATOM 421 CG ASP A 89 -3.616 9.808 4.577 1.00 0.00 C ATOM 422 OD1 ASP A 89 -4.080 10.938 4.835 1.00 0.00 O ATOM 423 OD2 ASP A 89 -3.125 9.055 5.444 1.00 0.00 O ATOM 0 H ASP A 89 -5.392 10.611 1.511 1.00 0.00 H new ATOM 0 HA ASP A 89 -2.673 11.149 2.563 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -4.620 8.872 2.936 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -2.899 8.547 3.005 1.00 0.00 H new ATOM 428 N GLU A 90 -1.692 10.437 0.414 1.00 0.00 N ATOM 429 CA GLU A 90 -1.040 9.985 -0.810 1.00 0.00 C ATOM 430 C GLU A 90 -1.188 8.475 -0.979 1.00 0.00 C ATOM 431 O GLU A 90 -1.108 7.720 -0.009 1.00 0.00 O ATOM 432 CB GLU A 90 0.442 10.364 -0.794 1.00 0.00 C ATOM 433 CG GLU A 90 1.013 10.647 -2.173 1.00 0.00 C ATOM 434 CD GLU A 90 0.059 11.439 -3.048 1.00 0.00 C ATOM 435 OE1 GLU A 90 -0.146 12.638 -2.768 1.00 0.00 O ATOM 436 OE2 GLU A 90 -0.481 10.858 -4.012 1.00 0.00 O ATOM 0 H GLU A 90 -1.211 11.199 0.892 1.00 0.00 H new ATOM 0 HA GLU A 90 -1.525 10.477 -1.653 1.00 0.00 H new ATOM 0 HB2 GLU A 90 0.576 11.245 -0.167 1.00 0.00 H new ATOM 0 HB3 GLU A 90 1.010 9.556 -0.334 1.00 0.00 H new ATOM 0 HG2 GLU A 90 1.948 11.198 -2.069 1.00 0.00 H new ATOM 0 HG3 GLU A 90 1.252 9.704 -2.664 1.00 0.00 H new ATOM 443 N LEU A 91 -1.406 8.043 -2.216 1.00 0.00 N ATOM 444 CA LEU A 91 -1.567 6.624 -2.514 1.00 0.00 C ATOM 445 C LEU A 91 -0.491 6.147 -3.484 1.00 0.00 C ATOM 446 O LEU A 91 -0.373 6.657 -4.597 1.00 0.00 O ATOM 447 CB LEU A 91 -2.954 6.360 -3.102 1.00 0.00 C ATOM 448 CG LEU A 91 -4.123 7.050 -2.399 1.00 0.00 C ATOM 449 CD1 LEU A 91 -5.294 7.221 -3.355 1.00 0.00 C ATOM 450 CD2 LEU A 91 -4.547 6.261 -1.169 1.00 0.00 C ATOM 0 H LEU A 91 -1.475 8.655 -3.029 1.00 0.00 H new ATOM 0 HA LEU A 91 -1.463 6.068 -1.582 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -2.949 6.672 -4.147 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -3.133 5.285 -3.091 1.00 0.00 H new ATOM 0 HG LEU A 91 -3.796 8.038 -2.076 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -6.117 7.714 -2.838 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -4.984 7.829 -4.205 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -5.621 6.243 -3.708 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -5.380 6.767 -0.681 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -4.856 5.259 -1.468 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -3.709 6.191 -0.475 1.00 0.00 H new ATOM 462 N GLY A 92 0.291 5.161 -3.054 1.00 0.00 N ATOM 463 CA GLY A 92 1.345 4.629 -3.897 1.00 0.00 C ATOM 464 C GLY A 92 0.905 3.402 -4.672 1.00 0.00 C ATOM 465 O GLY A 92 0.701 2.335 -4.093 1.00 0.00 O ATOM 0 H GLY A 92 0.213 4.722 -2.137 1.00 0.00 H new ATOM 0 HA2 GLY A 92 1.670 5.399 -4.596 1.00 0.00 H new ATOM 0 HA3 GLY A 92 2.207 4.375 -3.279 1.00 0.00 H new ATOM 469 N ILE A 93 0.757 3.554 -5.983 1.00 0.00 N ATOM 470 CA ILE A 93 0.337 2.450 -6.837 1.00 0.00 C ATOM 471 C ILE A 93 1.537 1.642 -7.320 1.00 0.00 C ATOM 472 O ILE A 93 2.428 2.171 -7.984 1.00 0.00 O ATOM 473 CB ILE A 93 -0.454 2.953 -8.059 1.00 0.00 C ATOM 474 CG1 ILE A 93 -1.763 3.607 -7.613 1.00 0.00 C ATOM 475 CG2 ILE A 93 -0.729 1.806 -9.020 1.00 0.00 C ATOM 476 CD1 ILE A 93 -2.309 4.608 -8.607 1.00 0.00 C ATOM 0 H ILE A 93 0.922 4.431 -6.477 1.00 0.00 H new ATOM 0 HA ILE A 93 -0.309 1.812 -6.234 1.00 0.00 H new ATOM 0 HB ILE A 93 0.145 3.701 -8.578 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -2.509 2.830 -7.445 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -1.603 4.107 -6.658 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -1.289 2.177 -9.879 1.00 0.00 H new ATOM 0 HG22 ILE A 93 0.216 1.381 -9.359 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -1.311 1.037 -8.512 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -3.238 5.031 -8.224 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -1.581 5.406 -8.757 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -2.502 4.109 -9.557 1.00 0.00 H new ATOM 488 N CYS A 94 1.551 0.357 -6.983 1.00 0.00 N ATOM 489 CA CYS A 94 2.641 -0.526 -7.382 1.00 0.00 C ATOM 490 C CYS A 94 2.468 -0.984 -8.827 1.00 0.00 C ATOM 491 O CYS A 94 1.386 -0.895 -9.407 1.00 0.00 O ATOM 492 CB CYS A 94 2.709 -1.740 -6.454 1.00 0.00 C ATOM 493 SG CYS A 94 3.805 -1.522 -5.033 1.00 0.00 S ATOM 0 H CYS A 94 0.820 -0.096 -6.435 1.00 0.00 H new ATOM 0 HA CYS A 94 3.574 0.032 -7.306 1.00 0.00 H new ATOM 0 HB2 CYS A 94 1.705 -1.965 -6.094 1.00 0.00 H new ATOM 0 HB3 CYS A 94 3.043 -2.604 -7.028 1.00 0.00 H new ATOM 0 HG CYS A 94 3.794 -2.600 -4.307 1.00 0.00 H new ATOM 499 N PRO A 95 3.559 -1.486 -9.424 1.00 0.00 N ATOM 500 CA PRO A 95 3.554 -1.967 -10.809 1.00 0.00 C ATOM 501 C PRO A 95 2.753 -3.254 -10.972 1.00 0.00 C ATOM 502 O PRO A 95 2.697 -3.829 -12.059 1.00 0.00 O ATOM 503 CB PRO A 95 5.035 -2.217 -11.103 1.00 0.00 C ATOM 504 CG PRO A 95 5.649 -2.471 -9.770 1.00 0.00 C ATOM 505 CD PRO A 95 4.883 -1.622 -8.793 1.00 0.00 C ATOM 0 HA PRO A 95 3.086 -1.253 -11.487 1.00 0.00 H new ATOM 0 HB2 PRO A 95 5.168 -3.070 -11.769 1.00 0.00 H new ATOM 0 HB3 PRO A 95 5.492 -1.357 -11.592 1.00 0.00 H new ATOM 0 HG2 PRO A 95 5.584 -3.526 -9.505 1.00 0.00 H new ATOM 0 HG3 PRO A 95 6.707 -2.207 -9.771 1.00 0.00 H new ATOM 0 HD2 PRO A 95 4.815 -2.098 -7.815 1.00 0.00 H new ATOM 0 HD3 PRO A 95 5.359 -0.653 -8.644 1.00 0.00 H new ATOM 513 N CYS A 96 2.134 -3.702 -9.885 1.00 0.00 N ATOM 514 CA CYS A 96 1.336 -4.922 -9.907 1.00 0.00 C ATOM 515 C CYS A 96 -0.155 -4.596 -9.899 1.00 0.00 C ATOM 516 O CYS A 96 -0.961 -5.338 -9.336 1.00 0.00 O ATOM 517 CB CYS A 96 1.683 -5.805 -8.706 1.00 0.00 C ATOM 518 SG CYS A 96 1.564 -4.955 -7.099 1.00 0.00 S ATOM 0 H CYS A 96 2.170 -3.238 -8.977 1.00 0.00 H new ATOM 0 HA CYS A 96 1.567 -5.462 -10.825 1.00 0.00 H new ATOM 0 HB2 CYS A 96 1.017 -6.668 -8.699 1.00 0.00 H new ATOM 0 HB3 CYS A 96 2.697 -6.186 -8.829 1.00 0.00 H new ATOM 523 N LYS A 97 -0.515 -3.483 -10.528 1.00 0.00 N ATOM 524 CA LYS A 97 -1.908 -3.059 -10.597 1.00 0.00 C ATOM 525 C LYS A 97 -2.529 -3.004 -9.204 1.00 0.00 C ATOM 526 O LYS A 97 -3.690 -3.369 -9.017 1.00 0.00 O ATOM 527 CB LYS A 97 -2.710 -4.011 -11.487 1.00 0.00 C ATOM 528 CG LYS A 97 -2.260 -4.011 -12.937 1.00 0.00 C ATOM 529 CD LYS A 97 -2.716 -2.757 -13.663 1.00 0.00 C ATOM 530 CE LYS A 97 -1.850 -2.471 -14.880 1.00 0.00 C ATOM 531 NZ LYS A 97 -2.409 -1.370 -15.713 1.00 0.00 N ATOM 0 H LYS A 97 0.139 -2.857 -10.998 1.00 0.00 H new ATOM 0 HA LYS A 97 -1.936 -2.059 -11.029 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -2.628 -5.023 -11.090 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -3.764 -3.736 -11.442 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -1.173 -4.083 -12.981 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -2.659 -4.890 -13.443 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -3.755 -2.872 -13.973 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -2.679 -1.907 -12.981 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -0.844 -2.206 -14.555 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -1.762 -3.374 -15.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -1.790 -1.206 -16.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -3.359 -1.633 -16.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -2.469 -0.501 -15.145 1.00 0.00 H new ATOM 545 N HIS A 98 -1.749 -2.544 -8.231 1.00 0.00 N ATOM 546 CA HIS A 98 -2.224 -2.439 -6.856 1.00 0.00 C ATOM 547 C HIS A 98 -1.875 -1.077 -6.263 1.00 0.00 C ATOM 548 O HIS A 98 -0.970 -0.394 -6.742 1.00 0.00 O ATOM 549 CB HIS A 98 -1.619 -3.551 -5.999 1.00 0.00 C ATOM 550 CG HIS A 98 -2.388 -4.835 -6.054 1.00 0.00 C ATOM 551 ND1 HIS A 98 -1.783 -6.074 -6.092 1.00 0.00 N ATOM 552 CD2 HIS A 98 -3.721 -5.068 -6.076 1.00 0.00 C ATOM 553 CE1 HIS A 98 -2.711 -7.013 -6.136 1.00 0.00 C ATOM 554 NE2 HIS A 98 -3.896 -6.430 -6.127 1.00 0.00 N ATOM 0 H HIS A 98 -0.786 -2.238 -8.369 1.00 0.00 H new ATOM 0 HA HIS A 98 -3.309 -2.545 -6.863 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -0.596 -3.735 -6.327 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -1.566 -3.213 -4.964 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -4.502 -4.322 -6.057 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -2.531 -8.077 -6.173 1.00 0.00 H new ATOM 0 HE2 HIS A 98 -4.795 -6.912 -6.154 1.00 0.00 H new ATOM 562 N ALA A 99 -2.600 -0.688 -5.219 1.00 0.00 N ATOM 563 CA ALA A 99 -2.366 0.591 -4.561 1.00 0.00 C ATOM 564 C ALA A 99 -2.458 0.453 -3.045 1.00 0.00 C ATOM 565 O ALA A 99 -3.283 -0.302 -2.529 1.00 0.00 O ATOM 566 CB ALA A 99 -3.359 1.630 -5.059 1.00 0.00 C ATOM 0 H ALA A 99 -3.354 -1.241 -4.811 1.00 0.00 H new ATOM 0 HA ALA A 99 -1.357 0.920 -4.809 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -3.173 2.580 -4.559 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -3.243 1.757 -6.135 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -4.374 1.298 -4.840 1.00 0.00 H new ATOM 572 N PHE A 100 -1.606 1.186 -2.336 1.00 0.00 N ATOM 573 CA PHE A 100 -1.591 1.144 -0.878 1.00 0.00 C ATOM 574 C PHE A 100 -1.137 2.481 -0.300 1.00 0.00 C ATOM 575 O PHE A 100 -0.556 3.309 -1.003 1.00 0.00 O ATOM 576 CB PHE A 100 -0.669 0.025 -0.389 1.00 0.00 C ATOM 577 CG PHE A 100 -0.950 -1.306 -1.027 1.00 0.00 C ATOM 578 CD1 PHE A 100 -1.920 -2.147 -0.505 1.00 0.00 C ATOM 579 CD2 PHE A 100 -0.245 -1.715 -2.147 1.00 0.00 C ATOM 580 CE1 PHE A 100 -2.182 -3.372 -1.090 1.00 0.00 C ATOM 581 CE2 PHE A 100 -0.503 -2.938 -2.736 1.00 0.00 C ATOM 582 CZ PHE A 100 -1.472 -3.768 -2.206 1.00 0.00 C ATOM 0 H PHE A 100 -0.917 1.816 -2.747 1.00 0.00 H new ATOM 0 HA PHE A 100 -2.606 0.946 -0.534 1.00 0.00 H new ATOM 0 HB2 PHE A 100 0.365 0.304 -0.590 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -0.769 -0.071 0.692 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -2.477 -1.842 0.368 1.00 0.00 H new ATOM 0 HD2 PHE A 100 0.515 -1.071 -2.564 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -2.941 -4.018 -0.675 1.00 0.00 H new ATOM 0 HE2 PHE A 100 0.052 -3.245 -3.610 1.00 0.00 H new ATOM 0 HZ PHE A 100 -1.674 -4.725 -2.664 1.00 0.00 H new ATOM 592 N HIS A 101 -1.407 2.686 0.985 1.00 0.00 N ATOM 593 CA HIS A 101 -1.027 3.923 1.659 1.00 0.00 C ATOM 594 C HIS A 101 0.491 4.037 1.769 1.00 0.00 C ATOM 595 O HIS A 101 1.169 3.082 2.149 1.00 0.00 O ATOM 596 CB HIS A 101 -1.657 3.985 3.050 1.00 0.00 C ATOM 597 CG HIS A 101 -3.152 4.064 3.028 1.00 0.00 C ATOM 598 ND1 HIS A 101 -3.961 3.241 3.782 1.00 0.00 N ATOM 599 CD2 HIS A 101 -3.985 4.878 2.337 1.00 0.00 C ATOM 600 CE1 HIS A 101 -5.227 3.544 3.555 1.00 0.00 C ATOM 601 NE2 HIS A 101 -5.269 4.534 2.682 1.00 0.00 N ATOM 0 H HIS A 101 -1.887 2.012 1.581 1.00 0.00 H new ATOM 0 HA HIS A 101 -1.395 4.760 1.065 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -1.356 3.103 3.615 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -1.263 4.853 3.580 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -3.694 5.653 1.644 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -6.082 3.064 4.007 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -6.117 4.972 2.322 1.00 0.00 H new ATOM 609 N ARG A 102 1.017 5.210 1.434 1.00 0.00 N ATOM 610 CA ARG A 102 2.454 5.448 1.493 1.00 0.00 C ATOM 611 C ARG A 102 3.063 4.793 2.730 1.00 0.00 C ATOM 612 O ARG A 102 4.096 4.129 2.649 1.00 0.00 O ATOM 613 CB ARG A 102 2.744 6.950 1.504 1.00 0.00 C ATOM 614 CG ARG A 102 2.825 7.564 0.116 1.00 0.00 C ATOM 615 CD ARG A 102 4.118 7.181 -0.588 1.00 0.00 C ATOM 616 NE ARG A 102 5.249 7.982 -0.130 1.00 0.00 N ATOM 617 CZ ARG A 102 6.391 8.092 -0.799 1.00 0.00 C ATOM 618 NH1 ARG A 102 6.553 7.455 -1.950 1.00 0.00 N ATOM 619 NH2 ARG A 102 7.375 8.840 -0.316 1.00 0.00 N ATOM 0 H ARG A 102 0.470 6.011 1.119 1.00 0.00 H new ATOM 0 HA ARG A 102 2.907 5.004 0.607 1.00 0.00 H new ATOM 0 HB2 ARG A 102 1.965 7.458 2.072 1.00 0.00 H new ATOM 0 HB3 ARG A 102 3.685 7.126 2.026 1.00 0.00 H new ATOM 0 HG2 ARG A 102 1.974 7.234 -0.479 1.00 0.00 H new ATOM 0 HG3 ARG A 102 2.759 8.649 0.193 1.00 0.00 H new ATOM 0 HD2 ARG A 102 4.327 6.126 -0.413 1.00 0.00 H new ATOM 0 HD3 ARG A 102 3.996 7.308 -1.664 1.00 0.00 H new ATOM 0 HE ARG A 102 5.157 8.485 0.753 1.00 0.00 H new ATOM 0 HH11 ARG A 102 5.799 6.878 -2.324 1.00 0.00 H new ATOM 0 HH12 ARG A 102 7.431 7.541 -2.462 1.00 0.00 H new ATOM 0 HH21 ARG A 102 7.255 9.331 0.570 1.00 0.00 H new ATOM 0 HH22 ARG A 102 8.252 8.924 -0.831 1.00 0.00 H new ATOM 633 N LYS A 103 2.416 4.986 3.874 1.00 0.00 N ATOM 634 CA LYS A 103 2.892 4.415 5.129 1.00 0.00 C ATOM 635 C LYS A 103 2.680 2.904 5.153 1.00 0.00 C ATOM 636 O LYS A 103 3.639 2.133 5.139 1.00 0.00 O ATOM 637 CB LYS A 103 2.170 5.061 6.313 1.00 0.00 C ATOM 638 CG LYS A 103 2.645 6.471 6.620 1.00 0.00 C ATOM 639 CD LYS A 103 3.971 6.463 7.363 1.00 0.00 C ATOM 640 CE LYS A 103 4.110 7.678 8.267 1.00 0.00 C ATOM 641 NZ LYS A 103 5.147 7.473 9.316 1.00 0.00 N ATOM 0 H LYS A 103 1.560 5.534 3.958 1.00 0.00 H new ATOM 0 HA LYS A 103 3.960 4.616 5.210 1.00 0.00 H new ATOM 0 HB2 LYS A 103 1.100 5.084 6.106 1.00 0.00 H new ATOM 0 HB3 LYS A 103 2.311 4.439 7.197 1.00 0.00 H new ATOM 0 HG2 LYS A 103 2.751 7.031 5.691 1.00 0.00 H new ATOM 0 HG3 LYS A 103 1.894 6.987 7.219 1.00 0.00 H new ATOM 0 HD2 LYS A 103 4.050 5.554 7.959 1.00 0.00 H new ATOM 0 HD3 LYS A 103 4.791 6.446 6.645 1.00 0.00 H new ATOM 0 HE2 LYS A 103 4.369 8.550 7.666 1.00 0.00 H new ATOM 0 HE3 LYS A 103 3.151 7.890 8.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 5.211 8.323 9.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 4.888 6.656 9.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 6.067 7.296 8.865 1.00 0.00 H new ATOM 655 N CYS A 104 1.418 2.489 5.189 1.00 0.00 N ATOM 656 CA CYS A 104 1.080 1.071 5.214 1.00 0.00 C ATOM 657 C CYS A 104 2.085 0.258 4.403 1.00 0.00 C ATOM 658 O CYS A 104 2.594 -0.762 4.869 1.00 0.00 O ATOM 659 CB CYS A 104 -0.331 0.852 4.665 1.00 0.00 C ATOM 660 SG CYS A 104 -1.656 1.476 5.749 1.00 0.00 S ATOM 0 H CYS A 104 0.613 3.115 5.202 1.00 0.00 H new ATOM 0 HA CYS A 104 1.116 0.732 6.249 1.00 0.00 H new ATOM 0 HB2 CYS A 104 -0.411 1.340 3.694 1.00 0.00 H new ATOM 0 HB3 CYS A 104 -0.484 -0.215 4.500 1.00 0.00 H new ATOM 665 N LEU A 105 2.365 0.716 3.189 1.00 0.00 N ATOM 666 CA LEU A 105 3.310 0.032 2.312 1.00 0.00 C ATOM 667 C LEU A 105 4.691 -0.044 2.953 1.00 0.00 C ATOM 668 O LEU A 105 5.181 -1.129 3.269 1.00 0.00 O ATOM 669 CB LEU A 105 3.398 0.751 0.965 1.00 0.00 C ATOM 670 CG LEU A 105 3.974 -0.064 -0.194 1.00 0.00 C ATOM 671 CD1 LEU A 105 3.015 -1.175 -0.593 1.00 0.00 C ATOM 672 CD2 LEU A 105 4.273 0.838 -1.383 1.00 0.00 C ATOM 0 H LEU A 105 1.952 1.558 2.788 1.00 0.00 H new ATOM 0 HA LEU A 105 2.949 -0.984 2.151 1.00 0.00 H new ATOM 0 HB2 LEU A 105 2.398 1.084 0.687 1.00 0.00 H new ATOM 0 HB3 LEU A 105 4.008 1.646 1.092 1.00 0.00 H new ATOM 0 HG LEU A 105 4.908 -0.519 0.135 1.00 0.00 H new ATOM 0 HD11 LEU A 105 3.441 -1.744 -1.419 1.00 0.00 H new ATOM 0 HD12 LEU A 105 2.851 -1.837 0.257 1.00 0.00 H new ATOM 0 HD13 LEU A 105 2.065 -0.741 -0.904 1.00 0.00 H new ATOM 0 HD21 LEU A 105 4.682 0.241 -2.198 1.00 0.00 H new ATOM 0 HD22 LEU A 105 3.354 1.322 -1.713 1.00 0.00 H new ATOM 0 HD23 LEU A 105 4.998 1.598 -1.090 1.00 0.00 H new ATOM 684 N ILE A 106 5.313 1.115 3.145 1.00 0.00 N ATOM 685 CA ILE A 106 6.637 1.179 3.752 1.00 0.00 C ATOM 686 C ILE A 106 6.763 0.186 4.902 1.00 0.00 C ATOM 687 O ILE A 106 7.624 -0.694 4.885 1.00 0.00 O ATOM 688 CB ILE A 106 6.948 2.595 4.274 1.00 0.00 C ATOM 689 CG1 ILE A 106 6.900 3.607 3.128 1.00 0.00 C ATOM 690 CG2 ILE A 106 8.309 2.621 4.954 1.00 0.00 C ATOM 691 CD1 ILE A 106 6.574 5.014 3.577 1.00 0.00 C ATOM 0 H ILE A 106 4.922 2.021 2.889 1.00 0.00 H new ATOM 0 HA ILE A 106 7.355 0.921 2.973 1.00 0.00 H new ATOM 0 HB ILE A 106 6.191 2.870 5.008 1.00 0.00 H new ATOM 0 HG12 ILE A 106 7.863 3.611 2.617 1.00 0.00 H new ATOM 0 HG13 ILE A 106 6.155 3.285 2.401 1.00 0.00 H new ATOM 0 HG21 ILE A 106 8.515 3.628 5.318 1.00 0.00 H new ATOM 0 HG22 ILE A 106 8.310 1.925 5.793 1.00 0.00 H new ATOM 0 HG23 ILE A 106 9.078 2.329 4.239 1.00 0.00 H new ATOM 0 HD11 ILE A 106 6.557 5.677 2.712 1.00 0.00 H new ATOM 0 HD12 ILE A 106 5.598 5.024 4.061 1.00 0.00 H new ATOM 0 HD13 ILE A 106 7.332 5.356 4.282 1.00 0.00 H new ATOM 703 N LYS A 107 5.899 0.332 5.900 1.00 0.00 N ATOM 704 CA LYS A 107 5.910 -0.553 7.059 1.00 0.00 C ATOM 705 C LYS A 107 5.815 -2.014 6.628 1.00 0.00 C ATOM 706 O LYS A 107 6.623 -2.846 7.041 1.00 0.00 O ATOM 707 CB LYS A 107 4.752 -0.212 7.999 1.00 0.00 C ATOM 708 CG LYS A 107 5.077 0.896 8.986 1.00 0.00 C ATOM 709 CD LYS A 107 5.793 0.357 10.213 1.00 0.00 C ATOM 710 CE LYS A 107 4.824 0.107 11.359 1.00 0.00 C ATOM 711 NZ LYS A 107 4.256 -1.268 11.315 1.00 0.00 N ATOM 0 H LYS A 107 5.181 1.056 5.930 1.00 0.00 H new ATOM 0 HA LYS A 107 6.853 -0.408 7.587 1.00 0.00 H new ATOM 0 HB2 LYS A 107 3.888 0.084 7.405 1.00 0.00 H new ATOM 0 HB3 LYS A 107 4.467 -1.108 8.551 1.00 0.00 H new ATOM 0 HG2 LYS A 107 5.701 1.646 8.500 1.00 0.00 H new ATOM 0 HG3 LYS A 107 4.157 1.395 9.290 1.00 0.00 H new ATOM 0 HD2 LYS A 107 6.305 -0.571 9.959 1.00 0.00 H new ATOM 0 HD3 LYS A 107 6.558 1.066 10.530 1.00 0.00 H new ATOM 0 HE2 LYS A 107 5.338 0.257 12.308 1.00 0.00 H new ATOM 0 HE3 LYS A 107 4.015 0.836 11.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 3.752 -1.464 12.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 3.594 -1.345 10.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 5.025 -1.958 11.194 1.00 0.00 H new ATOM 725 N TRP A 108 4.826 -2.317 5.796 1.00 0.00 N ATOM 726 CA TRP A 108 4.627 -3.677 5.309 1.00 0.00 C ATOM 727 C TRP A 108 5.918 -4.240 4.724 1.00 0.00 C ATOM 728 O TRP A 108 6.236 -5.415 4.912 1.00 0.00 O ATOM 729 CB TRP A 108 3.520 -3.706 4.254 1.00 0.00 C ATOM 730 CG TRP A 108 3.309 -5.063 3.651 1.00 0.00 C ATOM 731 CD1 TRP A 108 3.764 -5.502 2.441 1.00 0.00 C ATOM 732 CD2 TRP A 108 2.587 -6.155 4.231 1.00 0.00 C ATOM 733 NE1 TRP A 108 3.369 -6.801 2.233 1.00 0.00 N ATOM 734 CE2 TRP A 108 2.647 -7.225 3.317 1.00 0.00 C ATOM 735 CE3 TRP A 108 1.899 -6.334 5.434 1.00 0.00 C ATOM 736 CZ2 TRP A 108 2.042 -8.454 3.570 1.00 0.00 C ATOM 737 CZ3 TRP A 108 1.300 -7.554 5.683 1.00 0.00 C ATOM 738 CH2 TRP A 108 1.375 -8.601 4.756 1.00 0.00 C ATOM 0 H TRP A 108 4.149 -1.640 5.444 1.00 0.00 H new ATOM 0 HA TRP A 108 4.331 -4.299 6.154 1.00 0.00 H new ATOM 0 HB2 TRP A 108 2.588 -3.368 4.707 1.00 0.00 H new ATOM 0 HB3 TRP A 108 3.764 -2.998 3.462 1.00 0.00 H new ATOM 0 HD1 TRP A 108 4.349 -4.914 1.749 1.00 0.00 H new ATOM 0 HE1 TRP A 108 3.579 -7.359 1.406 1.00 0.00 H new ATOM 0 HE3 TRP A 108 1.837 -5.533 6.156 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 2.097 -9.262 2.856 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 0.764 -7.703 6.609 1.00 0.00 H new ATOM 0 HH2 TRP A 108 0.897 -9.543 4.981 1.00 0.00 H new ATOM 749 N LEU A 109 6.659 -3.396 4.015 1.00 0.00 N ATOM 750 CA LEU A 109 7.917 -3.810 3.403 1.00 0.00 C ATOM 751 C LEU A 109 8.955 -4.149 4.468 1.00 0.00 C ATOM 752 O LEU A 109 9.708 -5.111 4.329 1.00 0.00 O ATOM 753 CB LEU A 109 8.450 -2.705 2.489 1.00 0.00 C ATOM 754 CG LEU A 109 7.553 -2.316 1.313 1.00 0.00 C ATOM 755 CD1 LEU A 109 8.084 -1.067 0.628 1.00 0.00 C ATOM 756 CD2 LEU A 109 7.446 -3.466 0.322 1.00 0.00 C ATOM 0 H LEU A 109 6.411 -2.421 3.850 1.00 0.00 H new ATOM 0 HA LEU A 109 7.727 -4.704 2.809 1.00 0.00 H new ATOM 0 HB2 LEU A 109 8.629 -1.816 3.093 1.00 0.00 H new ATOM 0 HB3 LEU A 109 9.416 -3.022 2.094 1.00 0.00 H new ATOM 0 HG LEU A 109 6.556 -2.099 1.696 1.00 0.00 H new ATOM 0 HD11 LEU A 109 7.433 -0.805 -0.206 1.00 0.00 H new ATOM 0 HD12 LEU A 109 8.109 -0.243 1.341 1.00 0.00 H new ATOM 0 HD13 LEU A 109 9.091 -1.256 0.257 1.00 0.00 H new ATOM 0 HD21 LEU A 109 6.804 -3.172 -0.508 1.00 0.00 H new ATOM 0 HD22 LEU A 109 8.438 -3.714 -0.056 1.00 0.00 H new ATOM 0 HD23 LEU A 109 7.019 -4.337 0.820 1.00 0.00 H new ATOM 768 N GLU A 110 8.985 -3.353 5.533 1.00 0.00 N ATOM 769 CA GLU A 110 9.930 -3.571 6.622 1.00 0.00 C ATOM 770 C GLU A 110 10.006 -5.050 6.989 1.00 0.00 C ATOM 771 O GLU A 110 11.092 -5.613 7.122 1.00 0.00 O ATOM 772 CB GLU A 110 9.527 -2.749 7.848 1.00 0.00 C ATOM 773 CG GLU A 110 9.522 -1.250 7.602 1.00 0.00 C ATOM 774 CD GLU A 110 10.789 -0.766 6.924 1.00 0.00 C ATOM 775 OE1 GLU A 110 11.751 -0.422 7.643 1.00 0.00 O ATOM 776 OE2 GLU A 110 10.819 -0.731 5.676 1.00 0.00 O ATOM 0 H GLU A 110 8.367 -2.553 5.664 1.00 0.00 H new ATOM 0 HA GLU A 110 10.915 -3.248 6.285 1.00 0.00 H new ATOM 0 HB2 GLU A 110 8.533 -3.059 8.172 1.00 0.00 H new ATOM 0 HB3 GLU A 110 10.212 -2.972 8.666 1.00 0.00 H new ATOM 0 HG2 GLU A 110 8.662 -0.990 6.985 1.00 0.00 H new ATOM 0 HG3 GLU A 110 9.402 -0.730 8.552 1.00 0.00 H new ATOM 783 N VAL A 111 8.843 -5.673 7.151 1.00 0.00 N ATOM 784 CA VAL A 111 8.776 -7.087 7.502 1.00 0.00 C ATOM 785 C VAL A 111 8.622 -7.955 6.259 1.00 0.00 C ATOM 786 O VAL A 111 9.387 -8.897 6.048 1.00 0.00 O ATOM 787 CB VAL A 111 7.605 -7.372 8.462 1.00 0.00 C ATOM 788 CG1 VAL A 111 7.784 -6.607 9.764 1.00 0.00 C ATOM 789 CG2 VAL A 111 6.280 -7.019 7.804 1.00 0.00 C ATOM 0 H VAL A 111 7.935 -5.221 7.045 1.00 0.00 H new ATOM 0 HA VAL A 111 9.713 -7.334 8.000 1.00 0.00 H new ATOM 0 HB VAL A 111 7.597 -8.437 8.693 1.00 0.00 H new ATOM 0 HG11 VAL A 111 6.948 -6.821 10.429 1.00 0.00 H new ATOM 0 HG12 VAL A 111 8.715 -6.914 10.241 1.00 0.00 H new ATOM 0 HG13 VAL A 111 7.818 -5.538 9.556 1.00 0.00 H new ATOM 0 HG21 VAL A 111 5.464 -7.226 8.496 1.00 0.00 H new ATOM 0 HG22 VAL A 111 6.274 -5.961 7.543 1.00 0.00 H new ATOM 0 HG23 VAL A 111 6.151 -7.616 6.901 1.00 0.00 H new ATOM 799 N ARG A 112 7.629 -7.632 5.437 1.00 0.00 N ATOM 800 CA ARG A 112 7.374 -8.384 4.214 1.00 0.00 C ATOM 801 C ARG A 112 7.602 -7.511 2.983 1.00 0.00 C ATOM 802 O ARG A 112 6.777 -6.660 2.650 1.00 0.00 O ATOM 803 CB ARG A 112 5.944 -8.925 4.211 1.00 0.00 C ATOM 804 CG ARG A 112 5.805 -10.283 4.879 1.00 0.00 C ATOM 805 CD ARG A 112 4.373 -10.543 5.321 1.00 0.00 C ATOM 806 NE ARG A 112 4.309 -11.463 6.454 1.00 0.00 N ATOM 807 CZ ARG A 112 3.302 -11.492 7.320 1.00 0.00 C ATOM 808 NH1 ARG A 112 2.281 -10.658 7.183 1.00 0.00 N ATOM 809 NH2 ARG A 112 3.315 -12.358 8.326 1.00 0.00 N ATOM 0 H ARG A 112 6.988 -6.855 5.596 1.00 0.00 H new ATOM 0 HA ARG A 112 8.071 -9.221 4.180 1.00 0.00 H new ATOM 0 HB2 ARG A 112 5.294 -8.212 4.718 1.00 0.00 H new ATOM 0 HB3 ARG A 112 5.595 -8.999 3.181 1.00 0.00 H new ATOM 0 HG2 ARG A 112 6.121 -11.064 4.187 1.00 0.00 H new ATOM 0 HG3 ARG A 112 6.468 -10.335 5.742 1.00 0.00 H new ATOM 0 HD2 ARG A 112 3.900 -9.599 5.593 1.00 0.00 H new ATOM 0 HD3 ARG A 112 3.805 -10.955 4.487 1.00 0.00 H new ATOM 0 HE ARG A 112 5.079 -12.118 6.587 1.00 0.00 H new ATOM 0 HH11 ARG A 112 2.267 -9.991 6.411 1.00 0.00 H new ATOM 0 HH12 ARG A 112 1.509 -10.683 7.850 1.00 0.00 H new ATOM 0 HH21 ARG A 112 4.099 -13.002 8.435 1.00 0.00 H new ATOM 0 HH22 ARG A 112 2.541 -12.380 8.990 1.00 0.00 H new ATOM 823 N LYS A 113 8.727 -7.728 2.310 1.00 0.00 N ATOM 824 CA LYS A 113 9.064 -6.964 1.115 1.00 0.00 C ATOM 825 C LYS A 113 8.263 -7.452 -0.087 1.00 0.00 C ATOM 826 O LYS A 113 8.808 -7.639 -1.175 1.00 0.00 O ATOM 827 CB LYS A 113 10.562 -7.072 0.822 1.00 0.00 C ATOM 828 CG LYS A 113 11.429 -6.276 1.782 1.00 0.00 C ATOM 829 CD LYS A 113 12.896 -6.654 1.652 1.00 0.00 C ATOM 830 CE LYS A 113 13.782 -5.744 2.489 1.00 0.00 C ATOM 831 NZ LYS A 113 13.900 -4.384 1.892 1.00 0.00 N ATOM 0 H LYS A 113 9.421 -8.428 2.572 1.00 0.00 H new ATOM 0 HA LYS A 113 8.810 -5.920 1.298 1.00 0.00 H new ATOM 0 HB2 LYS A 113 10.857 -8.120 0.864 1.00 0.00 H new ATOM 0 HB3 LYS A 113 10.750 -6.728 -0.195 1.00 0.00 H new ATOM 0 HG2 LYS A 113 11.308 -5.211 1.585 1.00 0.00 H new ATOM 0 HG3 LYS A 113 11.096 -6.451 2.805 1.00 0.00 H new ATOM 0 HD2 LYS A 113 13.036 -7.688 1.966 1.00 0.00 H new ATOM 0 HD3 LYS A 113 13.197 -6.595 0.606 1.00 0.00 H new ATOM 0 HE2 LYS A 113 13.373 -5.664 3.496 1.00 0.00 H new ATOM 0 HE3 LYS A 113 14.773 -6.187 2.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 14.615 -3.837 2.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 14.185 -4.466 0.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 12.982 -3.898 1.951 1.00 0.00 H new ATOM 845 N VAL A 114 6.965 -7.655 0.115 1.00 0.00 N ATOM 846 CA VAL A 114 6.088 -8.119 -0.953 1.00 0.00 C ATOM 847 C VAL A 114 4.730 -7.428 -0.889 1.00 0.00 C ATOM 848 O VAL A 114 4.459 -6.652 0.028 1.00 0.00 O ATOM 849 CB VAL A 114 5.879 -9.643 -0.886 1.00 0.00 C ATOM 850 CG1 VAL A 114 7.199 -10.372 -1.091 1.00 0.00 C ATOM 851 CG2 VAL A 114 5.244 -10.036 0.439 1.00 0.00 C ATOM 0 H VAL A 114 6.497 -7.505 1.009 1.00 0.00 H new ATOM 0 HA VAL A 114 6.577 -7.868 -1.894 1.00 0.00 H new ATOM 0 HB VAL A 114 5.201 -9.935 -1.688 1.00 0.00 H new ATOM 0 HG11 VAL A 114 7.032 -11.448 -1.040 1.00 0.00 H new ATOM 0 HG12 VAL A 114 7.609 -10.114 -2.067 1.00 0.00 H new ATOM 0 HG13 VAL A 114 7.902 -10.077 -0.312 1.00 0.00 H new ATOM 0 HG21 VAL A 114 5.104 -11.117 0.469 1.00 0.00 H new ATOM 0 HG22 VAL A 114 5.895 -9.732 1.259 1.00 0.00 H new ATOM 0 HG23 VAL A 114 4.278 -9.542 0.540 1.00 0.00 H new ATOM 861 N CYS A 115 3.880 -7.715 -1.868 1.00 0.00 N ATOM 862 CA CYS A 115 2.549 -7.122 -1.924 1.00 0.00 C ATOM 863 C CYS A 115 1.551 -7.948 -1.118 1.00 0.00 C ATOM 864 O CYS A 115 1.406 -9.155 -1.313 1.00 0.00 O ATOM 865 CB CYS A 115 2.079 -7.008 -3.376 1.00 0.00 C ATOM 866 SG CYS A 115 0.677 -5.870 -3.617 1.00 0.00 S ATOM 0 H CYS A 115 4.089 -8.355 -2.634 1.00 0.00 H new ATOM 0 HA CYS A 115 2.604 -6.125 -1.488 1.00 0.00 H new ATOM 0 HB2 CYS A 115 2.914 -6.674 -3.992 1.00 0.00 H new ATOM 0 HB3 CYS A 115 1.795 -7.998 -3.734 1.00 0.00 H new ATOM 871 N PRO A 116 0.846 -7.284 -0.190 1.00 0.00 N ATOM 872 CA PRO A 116 -0.151 -7.936 0.663 1.00 0.00 C ATOM 873 C PRO A 116 -1.391 -8.363 -0.115 1.00 0.00 C ATOM 874 O PRO A 116 -2.383 -8.802 0.469 1.00 0.00 O ATOM 875 CB PRO A 116 -0.507 -6.853 1.684 1.00 0.00 C ATOM 876 CG PRO A 116 -0.207 -5.568 0.993 1.00 0.00 C ATOM 877 CD PRO A 116 0.967 -5.844 0.096 1.00 0.00 C ATOM 0 HA PRO A 116 0.233 -8.853 1.110 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -1.556 -6.911 1.973 1.00 0.00 H new ATOM 0 HB3 PRO A 116 0.081 -6.959 2.595 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -1.066 -5.225 0.417 1.00 0.00 H new ATOM 0 HG3 PRO A 116 0.028 -4.784 1.713 1.00 0.00 H new ATOM 0 HD2 PRO A 116 0.925 -5.248 -0.816 1.00 0.00 H new ATOM 0 HD3 PRO A 116 1.912 -5.610 0.587 1.00 0.00 H new ATOM 885 N LEU A 117 -1.330 -8.230 -1.436 1.00 0.00 N ATOM 886 CA LEU A 117 -2.448 -8.603 -2.295 1.00 0.00 C ATOM 887 C LEU A 117 -2.055 -9.733 -3.241 1.00 0.00 C ATOM 888 O LEU A 117 -2.522 -10.864 -3.102 1.00 0.00 O ATOM 889 CB LEU A 117 -2.924 -7.392 -3.099 1.00 0.00 C ATOM 890 CG LEU A 117 -3.921 -6.469 -2.396 1.00 0.00 C ATOM 891 CD1 LEU A 117 -4.250 -5.272 -3.274 1.00 0.00 C ATOM 892 CD2 LEU A 117 -5.187 -7.230 -2.032 1.00 0.00 C ATOM 0 H LEU A 117 -0.518 -7.867 -1.935 1.00 0.00 H new ATOM 0 HA LEU A 117 -3.262 -8.953 -1.660 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -2.051 -6.803 -3.382 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -3.380 -7.750 -4.022 1.00 0.00 H new ATOM 0 HG LEU A 117 -3.464 -6.104 -1.476 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -4.961 -4.626 -2.758 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -3.338 -4.713 -3.484 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -4.688 -5.617 -4.211 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -5.885 -6.558 -1.533 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -5.648 -7.624 -2.938 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -4.937 -8.054 -1.364 1.00 0.00 H new ATOM 904 N CYS A 118 -1.192 -9.420 -4.202 1.00 0.00 N ATOM 905 CA CYS A 118 -0.734 -10.409 -5.170 1.00 0.00 C ATOM 906 C CYS A 118 0.384 -11.267 -4.584 1.00 0.00 C ATOM 907 O CYS A 118 0.632 -12.380 -5.045 1.00 0.00 O ATOM 908 CB CYS A 118 -0.247 -9.718 -6.445 1.00 0.00 C ATOM 909 SG CYS A 118 1.043 -8.463 -6.163 1.00 0.00 S ATOM 0 H CYS A 118 -0.796 -8.489 -4.331 1.00 0.00 H new ATOM 0 HA CYS A 118 -1.575 -11.058 -5.415 1.00 0.00 H new ATOM 0 HB2 CYS A 118 0.139 -10.473 -7.130 1.00 0.00 H new ATOM 0 HB3 CYS A 118 -1.097 -9.246 -6.937 1.00 0.00 H new ATOM 914 N ASN A 119 1.054 -10.740 -3.565 1.00 0.00 N ATOM 915 CA ASN A 119 2.146 -11.456 -2.916 1.00 0.00 C ATOM 916 C ASN A 119 3.287 -11.714 -3.896 1.00 0.00 C ATOM 917 O ASN A 119 3.796 -12.830 -3.992 1.00 0.00 O ATOM 918 CB ASN A 119 1.643 -12.782 -2.342 1.00 0.00 C ATOM 919 CG ASN A 119 1.020 -12.618 -0.969 1.00 0.00 C ATOM 920 OD1 ASN A 119 1.605 -12.000 -0.079 1.00 0.00 O ATOM 921 ND2 ASN A 119 -0.174 -13.173 -0.792 1.00 0.00 N ATOM 0 H ASN A 119 0.860 -9.820 -3.171 1.00 0.00 H new ATOM 0 HA ASN A 119 2.522 -10.834 -2.104 1.00 0.00 H new ATOM 0 HB2 ASN A 119 0.909 -13.214 -3.022 1.00 0.00 H new ATOM 0 HB3 ASN A 119 2.473 -13.486 -2.280 1.00 0.00 H new ATOM 0 HD21 ASN A 119 -0.643 -13.096 0.110 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -0.621 -13.676 -1.558 1.00 0.00 H new ATOM 928 N MET A 120 3.683 -10.673 -4.622 1.00 0.00 N ATOM 929 CA MET A 120 4.764 -10.786 -5.593 1.00 0.00 C ATOM 930 C MET A 120 5.938 -9.893 -5.206 1.00 0.00 C ATOM 931 O MET A 120 5.768 -8.814 -4.638 1.00 0.00 O ATOM 932 CB MET A 120 4.264 -10.415 -6.991 1.00 0.00 C ATOM 933 CG MET A 120 3.188 -11.349 -7.519 1.00 0.00 C ATOM 934 SD MET A 120 2.391 -10.718 -9.009 1.00 0.00 S ATOM 935 CE MET A 120 3.523 -11.300 -10.270 1.00 0.00 C ATOM 0 H MET A 120 3.271 -9.742 -4.556 1.00 0.00 H new ATOM 0 HA MET A 120 5.105 -11.821 -5.600 1.00 0.00 H new ATOM 0 HB2 MET A 120 3.872 -9.398 -6.970 1.00 0.00 H new ATOM 0 HB3 MET A 120 5.107 -10.418 -7.682 1.00 0.00 H new ATOM 0 HG2 MET A 120 3.630 -12.322 -7.732 1.00 0.00 H new ATOM 0 HG3 MET A 120 2.435 -11.503 -6.746 1.00 0.00 H new ATOM 0 HE1 MET A 120 3.166 -10.988 -11.251 1.00 0.00 H new ATOM 0 HE2 MET A 120 4.513 -10.879 -10.093 1.00 0.00 H new ATOM 0 HE3 MET A 120 3.580 -12.388 -10.234 1.00 0.00 H new ATOM 945 N PRO A 121 7.160 -10.349 -5.520 1.00 0.00 N ATOM 946 CA PRO A 121 8.386 -9.606 -5.215 1.00 0.00 C ATOM 947 C PRO A 121 8.529 -8.350 -6.067 1.00 0.00 C ATOM 948 O PRO A 121 8.776 -8.428 -7.270 1.00 0.00 O ATOM 949 CB PRO A 121 9.498 -10.605 -5.544 1.00 0.00 C ATOM 950 CG PRO A 121 8.896 -11.523 -6.551 1.00 0.00 C ATOM 951 CD PRO A 121 7.438 -11.626 -6.199 1.00 0.00 C ATOM 0 HA PRO A 121 8.403 -9.253 -4.184 1.00 0.00 H new ATOM 0 HB2 PRO A 121 10.378 -10.101 -5.944 1.00 0.00 H new ATOM 0 HB3 PRO A 121 9.818 -11.148 -4.655 1.00 0.00 H new ATOM 0 HG2 PRO A 121 9.027 -11.134 -7.561 1.00 0.00 H new ATOM 0 HG3 PRO A 121 9.374 -12.502 -6.522 1.00 0.00 H new ATOM 0 HD2 PRO A 121 6.818 -11.752 -7.087 1.00 0.00 H new ATOM 0 HD3 PRO A 121 7.241 -12.478 -5.549 1.00 0.00 H new ATOM 959 N VAL A 122 8.374 -7.191 -5.435 1.00 0.00 N ATOM 960 CA VAL A 122 8.488 -5.917 -6.135 1.00 0.00 C ATOM 961 C VAL A 122 9.418 -4.963 -5.393 1.00 0.00 C ATOM 962 O VAL A 122 8.968 -4.113 -4.623 1.00 0.00 O ATOM 963 CB VAL A 122 7.112 -5.245 -6.306 1.00 0.00 C ATOM 964 CG1 VAL A 122 6.416 -5.103 -4.961 1.00 0.00 C ATOM 965 CG2 VAL A 122 7.261 -3.891 -6.983 1.00 0.00 C ATOM 0 H VAL A 122 8.169 -7.108 -4.439 1.00 0.00 H new ATOM 0 HA VAL A 122 8.904 -6.133 -7.119 1.00 0.00 H new ATOM 0 HB VAL A 122 6.495 -5.879 -6.943 1.00 0.00 H new ATOM 0 HG11 VAL A 122 5.446 -4.626 -5.102 1.00 0.00 H new ATOM 0 HG12 VAL A 122 6.275 -6.089 -4.518 1.00 0.00 H new ATOM 0 HG13 VAL A 122 7.028 -4.492 -4.298 1.00 0.00 H new ATOM 0 HG21 VAL A 122 6.279 -3.431 -7.096 1.00 0.00 H new ATOM 0 HG22 VAL A 122 7.896 -3.248 -6.374 1.00 0.00 H new ATOM 0 HG23 VAL A 122 7.715 -4.023 -7.965 1.00 0.00 H new ATOM 975 N LEU A 123 10.717 -5.109 -5.629 1.00 0.00 N ATOM 976 CA LEU A 123 11.712 -4.260 -4.984 1.00 0.00 C ATOM 977 C LEU A 123 12.193 -3.168 -5.933 1.00 0.00 C ATOM 978 O LEU A 123 12.723 -3.454 -7.006 1.00 0.00 O ATOM 979 CB LEU A 123 12.899 -5.101 -4.512 1.00 0.00 C ATOM 980 CG LEU A 123 12.793 -5.680 -3.101 1.00 0.00 C ATOM 981 CD1 LEU A 123 12.605 -4.569 -2.080 1.00 0.00 C ATOM 982 CD2 LEU A 123 11.649 -6.681 -3.020 1.00 0.00 C ATOM 0 H LEU A 123 11.106 -5.808 -6.262 1.00 0.00 H new ATOM 0 HA LEU A 123 11.245 -3.785 -4.121 1.00 0.00 H new ATOM 0 HB2 LEU A 123 13.036 -5.925 -5.212 1.00 0.00 H new ATOM 0 HB3 LEU A 123 13.798 -4.486 -4.564 1.00 0.00 H new ATOM 0 HG LEU A 123 13.723 -6.201 -2.872 1.00 0.00 H new ATOM 0 HD11 LEU A 123 12.532 -5.001 -1.082 1.00 0.00 H new ATOM 0 HD12 LEU A 123 13.457 -3.890 -2.120 1.00 0.00 H new ATOM 0 HD13 LEU A 123 11.692 -4.019 -2.305 1.00 0.00 H new ATOM 0 HD21 LEU A 123 11.588 -7.083 -2.009 1.00 0.00 H new ATOM 0 HD22 LEU A 123 10.712 -6.183 -3.270 1.00 0.00 H new ATOM 0 HD23 LEU A 123 11.827 -7.494 -3.724 1.00 0.00 H new ATOM 994 N GLN A 124 12.008 -1.915 -5.528 1.00 0.00 N ATOM 995 CA GLN A 124 12.425 -0.780 -6.343 1.00 0.00 C ATOM 996 C GLN A 124 13.250 0.205 -5.521 1.00 0.00 C ATOM 997 O GLN A 124 13.098 1.420 -5.653 1.00 0.00 O ATOM 998 CB GLN A 124 11.204 -0.073 -6.933 1.00 0.00 C ATOM 999 CG GLN A 124 10.213 0.407 -5.885 1.00 0.00 C ATOM 1000 CD GLN A 124 10.570 1.771 -5.325 1.00 0.00 C ATOM 1001 OE1 GLN A 124 10.756 2.731 -6.072 1.00 0.00 O ATOM 1002 NE2 GLN A 124 10.667 1.862 -4.004 1.00 0.00 N ATOM 0 H GLN A 124 11.573 -1.661 -4.641 1.00 0.00 H new ATOM 0 HA GLN A 124 13.046 -1.157 -7.156 1.00 0.00 H new ATOM 0 HB2 GLN A 124 11.539 0.781 -7.522 1.00 0.00 H new ATOM 0 HB3 GLN A 124 10.696 -0.753 -7.617 1.00 0.00 H new ATOM 0 HG2 GLN A 124 9.217 0.449 -6.325 1.00 0.00 H new ATOM 0 HG3 GLN A 124 10.172 -0.316 -5.071 1.00 0.00 H new ATOM 0 HE21 GLN A 124 10.504 1.040 -3.423 1.00 0.00 H new ATOM 0 HE22 GLN A 124 10.904 2.754 -3.570 1.00 0.00 H new ATOM 1011 N LEU A 125 14.123 -0.326 -4.673 1.00 0.00 N ATOM 1012 CA LEU A 125 14.973 0.507 -3.829 1.00 0.00 C ATOM 1013 C LEU A 125 16.077 1.166 -4.649 1.00 0.00 C ATOM 1014 O LEU A 125 16.854 0.488 -5.321 1.00 0.00 O ATOM 1015 CB LEU A 125 15.588 -0.331 -2.706 1.00 0.00 C ATOM 1016 CG LEU A 125 16.154 0.450 -1.519 1.00 0.00 C ATOM 1017 CD1 LEU A 125 15.032 0.938 -0.617 1.00 0.00 C ATOM 1018 CD2 LEU A 125 17.136 -0.409 -0.735 1.00 0.00 C ATOM 0 H LEU A 125 14.261 -1.329 -4.551 1.00 0.00 H new ATOM 0 HA LEU A 125 14.353 1.290 -3.393 1.00 0.00 H new ATOM 0 HB2 LEU A 125 14.828 -1.018 -2.334 1.00 0.00 H new ATOM 0 HB3 LEU A 125 16.387 -0.939 -3.130 1.00 0.00 H new ATOM 0 HG LEU A 125 16.688 1.319 -1.902 1.00 0.00 H new ATOM 0 HD11 LEU A 125 15.454 1.491 0.222 1.00 0.00 H new ATOM 0 HD12 LEU A 125 14.367 1.590 -1.184 1.00 0.00 H new ATOM 0 HD13 LEU A 125 14.469 0.083 -0.241 1.00 0.00 H new ATOM 0 HD21 LEU A 125 17.529 0.163 0.106 1.00 0.00 H new ATOM 0 HD22 LEU A 125 16.626 -1.297 -0.363 1.00 0.00 H new ATOM 0 HD23 LEU A 125 17.958 -0.708 -1.386 1.00 0.00 H new ATOM 1030 N ALA A 126 16.141 2.492 -4.588 1.00 0.00 N ATOM 1031 CA ALA A 126 17.152 3.243 -5.322 1.00 0.00 C ATOM 1032 C ALA A 126 17.802 4.300 -4.436 1.00 0.00 C ATOM 1033 O ALA A 126 18.036 5.428 -4.870 1.00 0.00 O ATOM 1034 CB ALA A 126 16.538 3.890 -6.555 1.00 0.00 C ATOM 0 H ALA A 126 15.504 3.068 -4.038 1.00 0.00 H new ATOM 0 HA ALA A 126 17.927 2.546 -5.639 1.00 0.00 H new ATOM 0 HB1 ALA A 126 17.305 4.447 -7.093 1.00 0.00 H new ATOM 0 HB2 ALA A 126 16.127 3.117 -7.205 1.00 0.00 H new ATOM 0 HB3 ALA A 126 15.742 4.569 -6.251 1.00 0.00 H new ATOM 1040 N GLN A 127 18.090 3.928 -3.193 1.00 0.00 N ATOM 1041 CA GLN A 127 18.712 4.845 -2.246 1.00 0.00 C ATOM 1042 C GLN A 127 20.163 4.457 -1.984 1.00 0.00 C ATOM 1043 O GLN A 127 20.491 3.274 -1.876 1.00 0.00 O ATOM 1044 CB GLN A 127 17.931 4.861 -0.931 1.00 0.00 C ATOM 1045 CG GLN A 127 17.913 3.519 -0.218 1.00 0.00 C ATOM 1046 CD GLN A 127 17.530 3.640 1.244 1.00 0.00 C ATOM 1047 OE1 GLN A 127 16.564 4.321 1.590 1.00 0.00 O ATOM 1048 NE2 GLN A 127 18.286 2.977 2.111 1.00 0.00 N ATOM 0 H GLN A 127 17.902 2.998 -2.819 1.00 0.00 H new ATOM 0 HA GLN A 127 18.696 5.844 -2.683 1.00 0.00 H new ATOM 0 HB2 GLN A 127 18.366 5.609 -0.269 1.00 0.00 H new ATOM 0 HB3 GLN A 127 16.905 5.171 -1.131 1.00 0.00 H new ATOM 0 HG2 GLN A 127 17.210 2.855 -0.720 1.00 0.00 H new ATOM 0 HG3 GLN A 127 18.898 3.058 -0.295 1.00 0.00 H new ATOM 0 HE21 GLN A 127 19.077 2.425 1.780 1.00 0.00 H new ATOM 0 HE22 GLN A 127 18.076 3.020 3.108 1.00 0.00 H new ATOM 1057 N LEU A 128 21.030 5.459 -1.885 1.00 0.00 N ATOM 1058 CA LEU A 128 22.448 5.222 -1.636 1.00 0.00 C ATOM 1059 C LEU A 128 23.169 6.527 -1.311 1.00 0.00 C ATOM 1060 O LEU A 128 22.712 7.608 -1.681 1.00 0.00 O ATOM 1061 CB LEU A 128 23.095 4.558 -2.852 1.00 0.00 C ATOM 1062 CG LEU A 128 22.968 5.312 -4.176 1.00 0.00 C ATOM 1063 CD1 LEU A 128 24.106 6.309 -4.334 1.00 0.00 C ATOM 1064 CD2 LEU A 128 22.944 4.338 -5.345 1.00 0.00 C ATOM 0 H LEU A 128 20.776 6.443 -1.973 1.00 0.00 H new ATOM 0 HA LEU A 128 22.535 4.556 -0.777 1.00 0.00 H new ATOM 0 HB2 LEU A 128 24.154 4.412 -2.640 1.00 0.00 H new ATOM 0 HB3 LEU A 128 22.656 3.568 -2.977 1.00 0.00 H new ATOM 0 HG LEU A 128 22.028 5.863 -4.169 1.00 0.00 H new ATOM 0 HD11 LEU A 128 23.999 6.836 -5.282 1.00 0.00 H new ATOM 0 HD12 LEU A 128 24.077 7.027 -3.514 1.00 0.00 H new ATOM 0 HD13 LEU A 128 25.059 5.779 -4.319 1.00 0.00 H new ATOM 0 HD21 LEU A 128 22.853 4.893 -6.279 1.00 0.00 H new ATOM 0 HD22 LEU A 128 23.867 3.759 -5.355 1.00 0.00 H new ATOM 0 HD23 LEU A 128 22.094 3.664 -5.239 1.00 0.00 H new ATOM 1076 N SER A 129 24.298 6.416 -0.619 1.00 0.00 N ATOM 1077 CA SER A 129 25.082 7.587 -0.243 1.00 0.00 C ATOM 1078 C SER A 129 26.094 7.935 -1.330 1.00 0.00 C ATOM 1079 O SER A 129 26.160 9.073 -1.791 1.00 0.00 O ATOM 1080 CB SER A 129 25.804 7.338 1.083 1.00 0.00 C ATOM 1081 OG SER A 129 26.544 6.131 1.042 1.00 0.00 O ATOM 0 H SER A 129 24.690 5.528 -0.307 1.00 0.00 H new ATOM 0 HA SER A 129 24.400 8.429 -0.124 1.00 0.00 H new ATOM 0 HB2 SER A 129 26.473 8.171 1.298 1.00 0.00 H new ATOM 0 HB3 SER A 129 25.077 7.295 1.894 1.00 0.00 H new ATOM 0 HG SER A 129 26.997 5.996 1.900 1.00 0.00 H new ATOM 1087 N GLY A 130 26.883 6.944 -1.734 1.00 0.00 N ATOM 1088 CA GLY A 130 27.883 7.164 -2.763 1.00 0.00 C ATOM 1089 C GLY A 130 28.968 6.105 -2.754 1.00 0.00 C ATOM 1090 O GLY A 130 29.049 5.278 -1.846 1.00 0.00 O ATOM 0 H GLY A 130 26.848 5.993 -1.367 1.00 0.00 H new ATOM 0 HA2 GLY A 130 27.399 7.175 -3.739 1.00 0.00 H new ATOM 0 HA3 GLY A 130 28.336 8.145 -2.621 1.00 0.00 H new ATOM 1094 N PRO A 131 29.825 6.122 -3.785 1.00 0.00 N ATOM 1095 CA PRO A 131 30.925 5.162 -3.915 1.00 0.00 C ATOM 1096 C PRO A 131 32.018 5.388 -2.876 1.00 0.00 C ATOM 1097 O PRO A 131 33.009 6.068 -3.141 1.00 0.00 O ATOM 1098 CB PRO A 131 31.464 5.428 -5.323 1.00 0.00 C ATOM 1099 CG PRO A 131 31.093 6.843 -5.609 1.00 0.00 C ATOM 1100 CD PRO A 131 29.787 7.080 -4.903 1.00 0.00 C ATOM 0 HA PRO A 131 30.591 4.136 -3.758 1.00 0.00 H new ATOM 0 HB2 PRO A 131 32.544 5.285 -5.367 1.00 0.00 H new ATOM 0 HB3 PRO A 131 31.022 4.748 -6.051 1.00 0.00 H new ATOM 0 HG2 PRO A 131 31.861 7.528 -5.249 1.00 0.00 H new ATOM 0 HG3 PRO A 131 30.993 7.011 -6.681 1.00 0.00 H new ATOM 0 HD2 PRO A 131 29.702 8.107 -4.549 1.00 0.00 H new ATOM 0 HD3 PRO A 131 28.936 6.898 -5.560 1.00 0.00 H new ATOM 1108 N SER A 132 31.831 4.813 -1.693 1.00 0.00 N ATOM 1109 CA SER A 132 32.799 4.954 -0.612 1.00 0.00 C ATOM 1110 C SER A 132 33.652 3.696 -0.478 1.00 0.00 C ATOM 1111 O SER A 132 33.149 2.626 -0.135 1.00 0.00 O ATOM 1112 CB SER A 132 32.083 5.241 0.709 1.00 0.00 C ATOM 1113 OG SER A 132 31.362 6.460 0.644 1.00 0.00 O ATOM 0 H SER A 132 31.017 4.245 -1.458 1.00 0.00 H new ATOM 0 HA SER A 132 33.454 5.792 -0.852 1.00 0.00 H new ATOM 0 HB2 SER A 132 31.401 4.423 0.942 1.00 0.00 H new ATOM 0 HB3 SER A 132 32.812 5.288 1.518 1.00 0.00 H new ATOM 0 HG SER A 132 30.912 6.620 1.500 1.00 0.00 H new ATOM 1119 N SER A 133 34.945 3.833 -0.752 1.00 0.00 N ATOM 1120 CA SER A 133 35.868 2.708 -0.666 1.00 0.00 C ATOM 1121 C SER A 133 37.051 3.042 0.238 1.00 0.00 C ATOM 1122 O SER A 133 37.545 4.169 0.241 1.00 0.00 O ATOM 1123 CB SER A 133 36.370 2.325 -2.060 1.00 0.00 C ATOM 1124 OG SER A 133 37.268 3.299 -2.564 1.00 0.00 O ATOM 0 H SER A 133 35.377 4.712 -1.036 1.00 0.00 H new ATOM 0 HA SER A 133 35.331 1.863 -0.235 1.00 0.00 H new ATOM 0 HB2 SER A 133 36.866 1.356 -2.018 1.00 0.00 H new ATOM 0 HB3 SER A 133 35.524 2.220 -2.739 1.00 0.00 H new ATOM 0 HG SER A 133 37.576 3.030 -3.455 1.00 0.00 H new ATOM 1130 N GLY A 134 37.499 2.053 1.006 1.00 0.00 N ATOM 1131 CA GLY A 134 38.619 2.262 1.905 1.00 0.00 C ATOM 1132 C GLY A 134 39.778 1.329 1.613 1.00 0.00 C ATOM 1133 O GLY A 134 40.912 1.595 2.009 1.00 0.00 O ATOM 0 H GLY A 134 37.107 1.112 1.022 1.00 0.00 H new ATOM 0 HA2 GLY A 134 38.958 3.295 1.824 1.00 0.00 H new ATOM 0 HA3 GLY A 134 38.288 2.115 2.933 1.00 0.00 H new TER 1137 GLY A 134 HETATM 1138 ZN ZN A 200 -3.680 1.449 4.770 1.00 0.00 ZN HETATM 1139 ZN ZN A 300 0.201 -6.400 -5.843 1.00 0.00 ZN