USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=9 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 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+ -128:sc= -0.0293 (180deg=-0.737) USER MOD Single : A 73 ASN : amide:sc= -0.622 K(o=-0.62,f=-0.015) USER MOD Single : A 75 HIS : no HD1:sc=-0.00292 X(o=-0.0029,f=-0.00085) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 CYS SG : rot 128:sc= 0.0671 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 ASN : amide:sc= 0 X(o=0,f=-0.0094) USER MOD Single : A 120 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 124 GLN : amide:sc= 0.0206 X(o=0.021,f=-0.33) USER MOD Single : A 127 GLN : amide:sc= -0.0247 K(o=-0.025,f=-1.4) USER MOD Single : A 129 SER OG : rot 180:sc= 0 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 8.431 7.520 20.154 1.00 0.00 N ATOM 2 CA GLY A 61 8.354 8.896 19.702 1.00 0.00 C ATOM 3 C GLY A 61 7.289 9.099 18.642 1.00 0.00 C ATOM 4 O GLY A 61 7.580 9.069 17.446 1.00 0.00 O ATOM 0 HA2 GLY A 61 8.143 9.544 20.553 1.00 0.00 H new ATOM 0 HA3 GLY A 61 9.322 9.199 19.303 1.00 0.00 H new ATOM 8 N SER A 62 6.051 9.305 19.080 1.00 0.00 N ATOM 9 CA SER A 62 4.938 9.508 18.160 1.00 0.00 C ATOM 10 C SER A 62 3.979 10.567 18.694 1.00 0.00 C ATOM 11 O SER A 62 3.846 10.748 19.905 1.00 0.00 O ATOM 12 CB SER A 62 4.190 8.193 17.934 1.00 0.00 C ATOM 13 OG SER A 62 3.514 8.200 16.688 1.00 0.00 O ATOM 0 H SER A 62 5.793 9.336 20.066 1.00 0.00 H new ATOM 0 HA SER A 62 5.342 9.855 17.209 1.00 0.00 H new ATOM 0 HB2 SER A 62 4.893 7.361 17.966 1.00 0.00 H new ATOM 0 HB3 SER A 62 3.473 8.035 18.740 1.00 0.00 H new ATOM 0 HG SER A 62 3.045 7.348 16.566 1.00 0.00 H new ATOM 19 N SER A 63 3.311 11.266 17.781 1.00 0.00 N ATOM 20 CA SER A 63 2.366 12.310 18.159 1.00 0.00 C ATOM 21 C SER A 63 0.930 11.861 17.905 1.00 0.00 C ATOM 22 O SER A 63 0.356 12.143 16.854 1.00 0.00 O ATOM 23 CB SER A 63 2.656 13.595 17.381 1.00 0.00 C ATOM 24 OG SER A 63 3.918 14.133 17.736 1.00 0.00 O ATOM 0 H SER A 63 3.407 11.128 16.775 1.00 0.00 H new ATOM 0 HA SER A 63 2.484 12.504 19.225 1.00 0.00 H new ATOM 0 HB2 SER A 63 2.633 13.389 16.311 1.00 0.00 H new ATOM 0 HB3 SER A 63 1.875 14.329 17.581 1.00 0.00 H new ATOM 0 HG SER A 63 4.080 14.953 17.224 1.00 0.00 H new ATOM 30 N GLY A 64 0.355 11.159 18.877 1.00 0.00 N ATOM 31 CA GLY A 64 -1.008 10.682 18.740 1.00 0.00 C ATOM 32 C GLY A 64 -1.292 10.124 17.359 1.00 0.00 C ATOM 33 O GLY A 64 -0.371 9.752 16.632 1.00 0.00 O ATOM 0 H GLY A 64 0.809 10.912 19.756 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -1.196 9.910 19.486 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -1.698 11.500 18.947 1.00 0.00 H new ATOM 37 N SER A 65 -2.569 10.064 16.998 1.00 0.00 N ATOM 38 CA SER A 65 -2.972 9.542 15.697 1.00 0.00 C ATOM 39 C SER A 65 -3.565 10.647 14.828 1.00 0.00 C ATOM 40 O SER A 65 -3.899 11.726 15.319 1.00 0.00 O ATOM 41 CB SER A 65 -3.989 8.412 15.870 1.00 0.00 C ATOM 42 OG SER A 65 -3.896 7.475 14.811 1.00 0.00 O ATOM 0 H SER A 65 -3.343 10.370 17.588 1.00 0.00 H new ATOM 0 HA SER A 65 -2.085 9.150 15.200 1.00 0.00 H new ATOM 0 HB2 SER A 65 -3.819 7.908 16.821 1.00 0.00 H new ATOM 0 HB3 SER A 65 -4.996 8.827 15.905 1.00 0.00 H new ATOM 0 HG SER A 65 -4.555 6.762 14.946 1.00 0.00 H new ATOM 48 N SER A 66 -3.694 10.369 13.535 1.00 0.00 N ATOM 49 CA SER A 66 -4.243 11.340 12.595 1.00 0.00 C ATOM 50 C SER A 66 -5.107 10.650 11.544 1.00 0.00 C ATOM 51 O SER A 66 -4.712 9.638 10.966 1.00 0.00 O ATOM 52 CB SER A 66 -3.114 12.117 11.914 1.00 0.00 C ATOM 53 OG SER A 66 -2.248 12.701 12.871 1.00 0.00 O ATOM 0 H SER A 66 -3.426 9.479 13.114 1.00 0.00 H new ATOM 0 HA SER A 66 -4.868 12.037 13.154 1.00 0.00 H new ATOM 0 HB2 SER A 66 -2.547 11.448 11.266 1.00 0.00 H new ATOM 0 HB3 SER A 66 -3.536 12.895 11.278 1.00 0.00 H new ATOM 0 HG SER A 66 -1.534 13.190 12.411 1.00 0.00 H new ATOM 59 N GLY A 67 -6.290 11.206 11.303 1.00 0.00 N ATOM 60 CA GLY A 67 -7.193 10.632 10.322 1.00 0.00 C ATOM 61 C GLY A 67 -8.619 11.116 10.493 1.00 0.00 C ATOM 62 O GLY A 67 -9.237 10.898 11.536 1.00 0.00 O ATOM 0 H GLY A 67 -6.639 12.043 11.769 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -6.845 10.885 9.321 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -7.169 9.545 10.403 1.00 0.00 H new ATOM 66 N LYS A 68 -9.145 11.778 9.468 1.00 0.00 N ATOM 67 CA LYS A 68 -10.507 12.296 9.508 1.00 0.00 C ATOM 68 C LYS A 68 -11.305 11.823 8.298 1.00 0.00 C ATOM 69 O LYS A 68 -11.003 12.187 7.161 1.00 0.00 O ATOM 70 CB LYS A 68 -10.492 13.826 9.556 1.00 0.00 C ATOM 71 CG LYS A 68 -11.726 14.426 10.208 1.00 0.00 C ATOM 72 CD LYS A 68 -11.731 14.195 11.710 1.00 0.00 C ATOM 73 CE LYS A 68 -10.790 15.153 12.424 1.00 0.00 C ATOM 74 NZ LYS A 68 -11.113 15.271 13.873 1.00 0.00 N ATOM 0 H LYS A 68 -8.648 11.969 8.598 1.00 0.00 H new ATOM 0 HA LYS A 68 -10.987 11.915 10.409 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -9.607 14.155 10.100 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -10.404 14.212 8.541 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -11.763 15.496 10.003 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -12.621 13.986 9.768 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -12.743 14.322 12.095 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -11.436 13.167 11.922 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -9.763 14.807 12.308 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -10.850 16.136 11.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -10.449 15.933 14.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -12.084 15.625 13.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -11.031 14.338 14.324 1.00 0.00 H new ATOM 88 N VAL A 69 -12.326 11.009 8.549 1.00 0.00 N ATOM 89 CA VAL A 69 -13.170 10.488 7.479 1.00 0.00 C ATOM 90 C VAL A 69 -13.790 11.620 6.668 1.00 0.00 C ATOM 91 O VAL A 69 -14.271 12.608 7.225 1.00 0.00 O ATOM 92 CB VAL A 69 -14.293 9.594 8.036 1.00 0.00 C ATOM 93 CG1 VAL A 69 -15.190 9.101 6.911 1.00 0.00 C ATOM 94 CG2 VAL A 69 -13.708 8.425 8.814 1.00 0.00 C ATOM 0 H VAL A 69 -12.589 10.696 9.484 1.00 0.00 H new ATOM 0 HA VAL A 69 -12.528 9.891 6.831 1.00 0.00 H new ATOM 0 HB VAL A 69 -14.900 10.187 8.720 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -15.978 8.471 7.323 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -15.637 9.955 6.402 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -14.598 8.524 6.200 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -14.516 7.804 9.200 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -13.076 7.829 8.155 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -13.112 8.803 9.645 1.00 0.00 H new ATOM 104 N LYS A 70 -13.778 11.470 5.348 1.00 0.00 N ATOM 105 CA LYS A 70 -14.341 12.478 4.458 1.00 0.00 C ATOM 106 C LYS A 70 -15.544 11.925 3.701 1.00 0.00 C ATOM 107 O LYS A 70 -15.668 10.715 3.514 1.00 0.00 O ATOM 108 CB LYS A 70 -13.281 12.963 3.467 1.00 0.00 C ATOM 109 CG LYS A 70 -13.468 14.406 3.033 1.00 0.00 C ATOM 110 CD LYS A 70 -12.814 14.673 1.687 1.00 0.00 C ATOM 111 CE LYS A 70 -11.325 14.947 1.836 1.00 0.00 C ATOM 112 NZ LYS A 70 -10.567 14.569 0.611 1.00 0.00 N ATOM 0 H LYS A 70 -13.384 10.659 4.871 1.00 0.00 H new ATOM 0 HA LYS A 70 -14.672 13.319 5.067 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -12.296 12.854 3.920 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -13.300 12.322 2.586 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -14.532 14.634 2.973 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -13.042 15.071 3.784 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -12.963 13.815 1.032 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -13.296 15.526 1.210 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -11.170 16.005 2.047 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -10.937 14.391 2.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -9.774 13.948 0.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -11.198 14.068 -0.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -10.199 15.427 0.152 1.00 0.00 H new ATOM 126 N GLU A 71 -16.428 12.819 3.268 1.00 0.00 N ATOM 127 CA GLU A 71 -17.621 12.418 2.531 1.00 0.00 C ATOM 128 C GLU A 71 -17.256 11.915 1.137 1.00 0.00 C ATOM 129 O GLU A 71 -17.310 12.663 0.160 1.00 0.00 O ATOM 130 CB GLU A 71 -18.598 13.590 2.422 1.00 0.00 C ATOM 131 CG GLU A 71 -19.398 13.836 3.690 1.00 0.00 C ATOM 132 CD GLU A 71 -20.391 12.726 3.978 1.00 0.00 C ATOM 133 OE1 GLU A 71 -19.957 11.642 4.421 1.00 0.00 O ATOM 134 OE2 GLU A 71 -21.601 12.941 3.759 1.00 0.00 O ATOM 0 H GLU A 71 -16.341 13.825 3.415 1.00 0.00 H new ATOM 0 HA GLU A 71 -18.099 11.605 3.078 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -18.042 14.494 2.172 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -19.287 13.402 1.599 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -18.714 13.935 4.533 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -19.932 14.782 3.600 1.00 0.00 H new ATOM 141 N LEU A 72 -16.883 10.642 1.053 1.00 0.00 N ATOM 142 CA LEU A 72 -16.508 10.038 -0.221 1.00 0.00 C ATOM 143 C LEU A 72 -16.834 8.548 -0.233 1.00 0.00 C ATOM 144 O LEU A 72 -17.166 7.967 0.799 1.00 0.00 O ATOM 145 CB LEU A 72 -15.016 10.247 -0.487 1.00 0.00 C ATOM 146 CG LEU A 72 -14.581 11.685 -0.774 1.00 0.00 C ATOM 147 CD1 LEU A 72 -13.069 11.813 -0.685 1.00 0.00 C ATOM 148 CD2 LEU A 72 -15.076 12.129 -2.143 1.00 0.00 C ATOM 0 H LEU A 72 -16.832 10.009 1.851 1.00 0.00 H new ATOM 0 HA LEU A 72 -17.083 10.524 -1.009 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -14.459 9.886 0.377 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -14.728 9.625 -1.335 1.00 0.00 H new ATOM 0 HG LEU A 72 -15.025 12.336 -0.021 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -12.778 12.843 -0.892 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -12.739 11.537 0.317 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -12.604 11.151 -1.415 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -14.757 13.154 -2.330 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -14.661 11.474 -2.910 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -16.164 12.077 -2.171 1.00 0.00 H new ATOM 160 N ASN A 73 -16.734 7.935 -1.408 1.00 0.00 N ATOM 161 CA ASN A 73 -17.016 6.512 -1.554 1.00 0.00 C ATOM 162 C ASN A 73 -15.846 5.790 -2.216 1.00 0.00 C ATOM 163 O ASN A 73 -14.995 6.415 -2.849 1.00 0.00 O ATOM 164 CB ASN A 73 -18.289 6.305 -2.378 1.00 0.00 C ATOM 165 CG ASN A 73 -18.147 6.815 -3.799 1.00 0.00 C ATOM 166 OD1 ASN A 73 -18.055 6.032 -4.745 1.00 0.00 O ATOM 167 ND2 ASN A 73 -18.128 8.133 -3.955 1.00 0.00 N ATOM 0 H ASN A 73 -16.460 8.402 -2.273 1.00 0.00 H new ATOM 0 HA ASN A 73 -17.163 6.092 -0.559 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -18.537 5.244 -2.399 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -19.120 6.817 -1.893 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -18.034 8.535 -4.888 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -18.207 8.744 -3.142 1.00 0.00 H new ATOM 174 N LEU A 74 -15.811 4.470 -2.066 1.00 0.00 N ATOM 175 CA LEU A 74 -14.746 3.662 -2.649 1.00 0.00 C ATOM 176 C LEU A 74 -15.144 2.191 -2.699 1.00 0.00 C ATOM 177 O LEU A 74 -15.928 1.720 -1.873 1.00 0.00 O ATOM 178 CB LEU A 74 -13.455 3.826 -1.845 1.00 0.00 C ATOM 179 CG LEU A 74 -12.279 2.950 -2.277 1.00 0.00 C ATOM 180 CD1 LEU A 74 -11.857 3.287 -3.698 1.00 0.00 C ATOM 181 CD2 LEU A 74 -11.109 3.116 -1.318 1.00 0.00 C ATOM 0 H LEU A 74 -16.508 3.937 -1.546 1.00 0.00 H new ATOM 0 HA LEU A 74 -14.578 4.009 -3.669 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -13.145 4.869 -1.902 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -13.673 3.615 -0.798 1.00 0.00 H new ATOM 0 HG LEU A 74 -12.598 1.908 -2.252 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -11.019 2.654 -3.988 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -12.693 3.116 -4.376 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -11.556 4.333 -3.750 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -10.281 2.485 -1.641 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -10.790 4.158 -1.311 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -11.417 2.824 -0.314 1.00 0.00 H new ATOM 193 N HIS A 75 -14.597 1.467 -3.671 1.00 0.00 N ATOM 194 CA HIS A 75 -14.893 0.048 -3.826 1.00 0.00 C ATOM 195 C HIS A 75 -13.720 -0.807 -3.355 1.00 0.00 C ATOM 196 O HIS A 75 -13.912 -1.843 -2.720 1.00 0.00 O ATOM 197 CB HIS A 75 -15.217 -0.271 -5.286 1.00 0.00 C ATOM 198 CG HIS A 75 -16.603 0.124 -5.692 1.00 0.00 C ATOM 199 ND1 HIS A 75 -17.355 -0.593 -6.599 1.00 0.00 N ATOM 200 CD2 HIS A 75 -17.375 1.168 -5.308 1.00 0.00 C ATOM 201 CE1 HIS A 75 -18.528 -0.006 -6.757 1.00 0.00 C ATOM 202 NE2 HIS A 75 -18.566 1.064 -5.984 1.00 0.00 N ATOM 0 H HIS A 75 -13.947 1.840 -4.363 1.00 0.00 H new ATOM 0 HA HIS A 75 -15.761 -0.186 -3.209 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -14.500 0.239 -5.929 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -15.089 -1.341 -5.453 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -17.105 1.939 -4.602 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -19.321 -0.344 -7.408 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -19.352 1.709 -5.902 1.00 0.00 H new ATOM 210 N GLU A 76 -12.507 -0.364 -3.671 1.00 0.00 N ATOM 211 CA GLU A 76 -11.304 -1.090 -3.281 1.00 0.00 C ATOM 212 C GLU A 76 -10.684 -0.480 -2.028 1.00 0.00 C ATOM 213 O GLU A 76 -10.125 0.617 -2.068 1.00 0.00 O ATOM 214 CB GLU A 76 -10.285 -1.084 -4.423 1.00 0.00 C ATOM 215 CG GLU A 76 -10.560 -2.131 -5.489 1.00 0.00 C ATOM 216 CD GLU A 76 -10.327 -3.545 -4.992 1.00 0.00 C ATOM 217 OE1 GLU A 76 -9.327 -3.765 -4.277 1.00 0.00 O ATOM 218 OE2 GLU A 76 -11.145 -4.431 -5.317 1.00 0.00 O ATOM 0 H GLU A 76 -12.332 0.493 -4.195 1.00 0.00 H new ATOM 0 HA GLU A 76 -11.586 -2.120 -3.062 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -10.278 -0.098 -4.887 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -9.289 -1.250 -4.011 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -11.591 -2.035 -5.830 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -9.920 -1.943 -6.351 1.00 0.00 H new ATOM 225 N LEU A 77 -10.786 -1.199 -0.915 1.00 0.00 N ATOM 226 CA LEU A 77 -10.236 -0.729 0.352 1.00 0.00 C ATOM 227 C LEU A 77 -8.850 -1.318 0.595 1.00 0.00 C ATOM 228 O LEU A 77 -8.542 -2.419 0.137 1.00 0.00 O ATOM 229 CB LEU A 77 -11.170 -1.101 1.505 1.00 0.00 C ATOM 230 CG LEU A 77 -12.658 -1.186 1.163 1.00 0.00 C ATOM 231 CD1 LEU A 77 -13.074 -0.008 0.296 1.00 0.00 C ATOM 232 CD2 LEU A 77 -12.970 -2.502 0.466 1.00 0.00 C ATOM 0 H LEU A 77 -11.244 -2.109 -0.864 1.00 0.00 H new ATOM 0 HA LEU A 77 -10.146 0.356 0.301 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -10.854 -2.064 1.906 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -11.042 -0.367 2.301 1.00 0.00 H new ATOM 0 HG LEU A 77 -13.228 -1.146 2.091 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -14.136 -0.085 0.063 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -12.887 0.922 0.832 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -12.498 -0.016 -0.629 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -14.033 -2.546 0.230 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -12.391 -2.572 -0.455 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -12.710 -3.332 1.123 1.00 0.00 H new ATOM 244 N CYS A 78 -8.017 -0.579 1.320 1.00 0.00 N ATOM 245 CA CYS A 78 -6.664 -1.027 1.626 1.00 0.00 C ATOM 246 C CYS A 78 -6.658 -2.496 2.039 1.00 0.00 C ATOM 247 O CYS A 78 -7.703 -3.069 2.348 1.00 0.00 O ATOM 248 CB CYS A 78 -6.061 -0.170 2.741 1.00 0.00 C ATOM 249 SG CYS A 78 -4.274 -0.426 2.990 1.00 0.00 S ATOM 0 H CYS A 78 -8.256 0.334 1.707 1.00 0.00 H new ATOM 0 HA CYS A 78 -6.059 -0.918 0.726 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -6.239 0.881 2.513 1.00 0.00 H new ATOM 0 HB3 CYS A 78 -6.582 -0.387 3.674 1.00 0.00 H new ATOM 254 N ALA A 79 -5.474 -3.099 2.042 1.00 0.00 N ATOM 255 CA ALA A 79 -5.332 -4.500 2.420 1.00 0.00 C ATOM 256 C ALA A 79 -4.667 -4.636 3.785 1.00 0.00 C ATOM 257 O ALA A 79 -4.989 -5.539 4.557 1.00 0.00 O ATOM 258 CB ALA A 79 -4.534 -5.252 1.365 1.00 0.00 C ATOM 0 H ALA A 79 -4.600 -2.640 1.787 1.00 0.00 H new ATOM 0 HA ALA A 79 -6.329 -4.936 2.486 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -4.435 -6.297 1.660 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -5.050 -5.192 0.407 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -3.544 -4.806 1.272 1.00 0.00 H new ATOM 264 N VAL A 80 -3.736 -3.733 4.078 1.00 0.00 N ATOM 265 CA VAL A 80 -3.026 -3.752 5.351 1.00 0.00 C ATOM 266 C VAL A 80 -3.939 -3.330 6.496 1.00 0.00 C ATOM 267 O VAL A 80 -4.196 -4.104 7.418 1.00 0.00 O ATOM 268 CB VAL A 80 -1.795 -2.826 5.321 1.00 0.00 C ATOM 269 CG1 VAL A 80 -1.110 -2.804 6.679 1.00 0.00 C ATOM 270 CG2 VAL A 80 -0.826 -3.263 4.233 1.00 0.00 C ATOM 0 H VAL A 80 -3.456 -2.979 3.450 1.00 0.00 H new ATOM 0 HA VAL A 80 -2.695 -4.778 5.514 1.00 0.00 H new ATOM 0 HB VAL A 80 -2.129 -1.814 5.093 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -0.243 -2.145 6.638 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -1.808 -2.440 7.433 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -0.788 -3.812 6.940 1.00 0.00 H new ATOM 0 HG21 VAL A 80 0.037 -2.598 4.226 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -0.496 -4.284 4.428 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.324 -3.221 3.264 1.00 0.00 H new ATOM 280 N CYS A 81 -4.427 -2.095 6.431 1.00 0.00 N ATOM 281 CA CYS A 81 -5.313 -1.568 7.463 1.00 0.00 C ATOM 282 C CYS A 81 -6.768 -1.913 7.159 1.00 0.00 C ATOM 283 O CYS A 81 -7.608 -1.957 8.059 1.00 0.00 O ATOM 284 CB CYS A 81 -5.150 -0.051 7.576 1.00 0.00 C ATOM 285 SG CYS A 81 -5.792 0.875 6.145 1.00 0.00 S ATOM 0 H CYS A 81 -4.224 -1.441 5.675 1.00 0.00 H new ATOM 0 HA CYS A 81 -5.040 -2.029 8.412 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -5.660 0.292 8.476 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -4.092 0.182 7.701 1.00 0.00 H new ATOM 290 N LEU A 82 -7.058 -2.159 5.886 1.00 0.00 N ATOM 291 CA LEU A 82 -8.412 -2.501 5.463 1.00 0.00 C ATOM 292 C LEU A 82 -9.364 -1.330 5.684 1.00 0.00 C ATOM 293 O LEU A 82 -10.405 -1.478 6.322 1.00 0.00 O ATOM 294 CB LEU A 82 -8.910 -3.730 6.225 1.00 0.00 C ATOM 295 CG LEU A 82 -8.053 -4.990 6.101 1.00 0.00 C ATOM 296 CD1 LEU A 82 -8.439 -6.005 7.166 1.00 0.00 C ATOM 297 CD2 LEU A 82 -8.190 -5.594 4.712 1.00 0.00 C ATOM 0 H LEU A 82 -6.375 -2.128 5.129 1.00 0.00 H new ATOM 0 HA LEU A 82 -8.387 -2.728 4.397 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -8.988 -3.471 7.281 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -9.917 -3.964 5.879 1.00 0.00 H new ATOM 0 HG LEU A 82 -7.010 -4.713 6.253 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -7.819 -6.895 7.062 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -8.288 -5.571 8.154 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -9.488 -6.278 7.046 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -7.573 -6.490 4.642 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -9.232 -5.856 4.530 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -7.863 -4.869 3.966 1.00 0.00 H new ATOM 309 N GLU A 83 -9.000 -0.169 5.149 1.00 0.00 N ATOM 310 CA GLU A 83 -9.824 1.026 5.287 1.00 0.00 C ATOM 311 C GLU A 83 -9.945 1.760 3.955 1.00 0.00 C ATOM 312 O GLU A 83 -8.998 1.805 3.170 1.00 0.00 O ATOM 313 CB GLU A 83 -9.232 1.961 6.345 1.00 0.00 C ATOM 314 CG GLU A 83 -9.534 1.535 7.771 1.00 0.00 C ATOM 315 CD GLU A 83 -11.020 1.512 8.071 1.00 0.00 C ATOM 316 OE1 GLU A 83 -11.586 2.591 8.344 1.00 0.00 O ATOM 317 OE2 GLU A 83 -11.617 0.416 8.033 1.00 0.00 O ATOM 0 H GLU A 83 -8.141 -0.031 4.617 1.00 0.00 H new ATOM 0 HA GLU A 83 -10.820 0.715 5.603 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -8.151 2.010 6.211 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -9.619 2.967 6.186 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -9.117 0.543 7.946 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -9.038 2.216 8.462 1.00 0.00 H new ATOM 324 N ASP A 84 -11.118 2.334 3.708 1.00 0.00 N ATOM 325 CA ASP A 84 -11.365 3.066 2.471 1.00 0.00 C ATOM 326 C ASP A 84 -10.255 4.079 2.209 1.00 0.00 C ATOM 327 O ASP A 84 -10.072 5.027 2.973 1.00 0.00 O ATOM 328 CB ASP A 84 -12.717 3.778 2.536 1.00 0.00 C ATOM 329 CG ASP A 84 -12.957 4.443 3.877 1.00 0.00 C ATOM 330 OD1 ASP A 84 -12.105 5.253 4.298 1.00 0.00 O ATOM 331 OD2 ASP A 84 -13.997 4.154 4.506 1.00 0.00 O ATOM 0 H ASP A 84 -11.912 2.306 4.348 1.00 0.00 H new ATOM 0 HA ASP A 84 -11.380 2.349 1.650 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -12.767 4.529 1.747 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -13.513 3.059 2.343 1.00 0.00 H new ATOM 336 N PHE A 85 -9.516 3.872 1.124 1.00 0.00 N ATOM 337 CA PHE A 85 -8.422 4.766 0.761 1.00 0.00 C ATOM 338 C PHE A 85 -8.890 6.218 0.743 1.00 0.00 C ATOM 339 O PHE A 85 -10.089 6.496 0.730 1.00 0.00 O ATOM 340 CB PHE A 85 -7.855 4.384 -0.608 1.00 0.00 C ATOM 341 CG PHE A 85 -6.952 3.184 -0.569 1.00 0.00 C ATOM 342 CD1 PHE A 85 -5.693 3.267 0.002 1.00 0.00 C ATOM 343 CD2 PHE A 85 -7.363 1.974 -1.104 1.00 0.00 C ATOM 344 CE1 PHE A 85 -4.859 2.164 0.040 1.00 0.00 C ATOM 345 CE2 PHE A 85 -6.534 0.868 -1.069 1.00 0.00 C ATOM 346 CZ PHE A 85 -5.281 0.964 -0.498 1.00 0.00 C ATOM 0 H PHE A 85 -9.655 3.093 0.481 1.00 0.00 H new ATOM 0 HA PHE A 85 -7.638 4.664 1.512 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -8.680 4.186 -1.292 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -7.302 5.232 -1.013 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -5.358 4.204 0.423 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -8.342 1.894 -1.553 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -3.880 2.241 0.489 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -6.867 -0.070 -1.488 1.00 0.00 H new ATOM 0 HZ PHE A 85 -4.631 0.102 -0.472 1.00 0.00 H new ATOM 356 N LYS A 86 -7.934 7.141 0.744 1.00 0.00 N ATOM 357 CA LYS A 86 -8.245 8.565 0.727 1.00 0.00 C ATOM 358 C LYS A 86 -7.322 9.313 -0.230 1.00 0.00 C ATOM 359 O LYS A 86 -6.135 9.009 -0.349 1.00 0.00 O ATOM 360 CB LYS A 86 -8.121 9.152 2.135 1.00 0.00 C ATOM 361 CG LYS A 86 -6.692 9.209 2.646 1.00 0.00 C ATOM 362 CD LYS A 86 -6.585 10.046 3.910 1.00 0.00 C ATOM 363 CE LYS A 86 -7.019 9.260 5.138 1.00 0.00 C ATOM 364 NZ LYS A 86 -7.416 10.156 6.258 1.00 0.00 N ATOM 0 H LYS A 86 -6.937 6.928 0.756 1.00 0.00 H new ATOM 0 HA LYS A 86 -9.271 8.683 0.380 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -8.540 10.158 2.138 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -8.720 8.555 2.823 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -6.336 8.199 2.846 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -6.045 9.628 1.875 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -5.557 10.384 4.038 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -7.204 10.938 3.810 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -7.856 8.612 4.877 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -6.204 8.613 5.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -7.705 9.582 7.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -6.610 10.757 6.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -8.211 10.756 5.958 1.00 0.00 H new ATOM 378 N PRO A 87 -7.877 10.314 -0.928 1.00 0.00 N ATOM 379 CA PRO A 87 -7.120 11.127 -1.885 1.00 0.00 C ATOM 380 C PRO A 87 -6.106 12.036 -1.199 1.00 0.00 C ATOM 381 O PRO A 87 -5.007 12.251 -1.709 1.00 0.00 O ATOM 382 CB PRO A 87 -8.202 11.959 -2.578 1.00 0.00 C ATOM 383 CG PRO A 87 -9.314 12.033 -1.589 1.00 0.00 C ATOM 384 CD PRO A 87 -9.286 10.731 -0.837 1.00 0.00 C ATOM 0 HA PRO A 87 -6.534 10.512 -2.568 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -7.834 12.952 -2.835 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -8.528 11.490 -3.506 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -9.179 12.877 -0.913 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -10.272 12.175 -2.089 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -9.601 10.858 0.199 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -9.953 9.994 -1.285 1.00 0.00 H new ATOM 392 N ARG A 88 -6.484 12.568 -0.041 1.00 0.00 N ATOM 393 CA ARG A 88 -5.607 13.455 0.714 1.00 0.00 C ATOM 394 C ARG A 88 -4.196 12.880 0.801 1.00 0.00 C ATOM 395 O ARG A 88 -3.211 13.611 0.700 1.00 0.00 O ATOM 396 CB ARG A 88 -6.164 13.681 2.121 1.00 0.00 C ATOM 397 CG ARG A 88 -7.117 14.862 2.216 1.00 0.00 C ATOM 398 CD ARG A 88 -6.364 16.182 2.256 1.00 0.00 C ATOM 399 NE ARG A 88 -5.732 16.413 3.552 1.00 0.00 N ATOM 400 CZ ARG A 88 -5.106 17.540 3.874 1.00 0.00 C ATOM 401 NH1 ARG A 88 -5.030 18.533 2.999 1.00 0.00 N ATOM 402 NH2 ARG A 88 -4.555 17.674 5.073 1.00 0.00 N ATOM 0 H ARG A 88 -7.391 12.400 0.394 1.00 0.00 H new ATOM 0 HA ARG A 88 -5.560 14.410 0.191 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -6.683 12.779 2.447 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -5.334 13.838 2.810 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -7.795 14.854 1.362 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -7.731 14.765 3.111 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -5.603 16.189 1.475 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -7.052 16.999 2.038 1.00 0.00 H new ATOM 0 HE ARG A 88 -5.773 15.669 4.248 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -5.453 18.433 2.076 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -4.549 19.397 3.249 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -4.612 16.912 5.748 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -4.075 18.539 5.320 1.00 0.00 H new ATOM 416 N ASP A 89 -4.108 11.568 0.988 1.00 0.00 N ATOM 417 CA ASP A 89 -2.818 10.895 1.087 1.00 0.00 C ATOM 418 C ASP A 89 -2.236 10.628 -0.297 1.00 0.00 C ATOM 419 O ASP A 89 -2.956 10.636 -1.295 1.00 0.00 O ATOM 420 CB ASP A 89 -2.962 9.581 1.856 1.00 0.00 C ATOM 421 CG ASP A 89 -1.667 9.150 2.515 1.00 0.00 C ATOM 422 OD1 ASP A 89 -1.275 9.778 3.522 1.00 0.00 O ATOM 423 OD2 ASP A 89 -1.044 8.185 2.025 1.00 0.00 O ATOM 0 H ASP A 89 -4.914 10.949 1.074 1.00 0.00 H new ATOM 0 HA ASP A 89 -2.135 11.550 1.628 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -3.734 9.692 2.617 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -3.297 8.799 1.174 1.00 0.00 H new ATOM 428 N GLU A 90 -0.929 10.393 -0.349 1.00 0.00 N ATOM 429 CA GLU A 90 -0.251 10.125 -1.612 1.00 0.00 C ATOM 430 C GLU A 90 -0.296 8.637 -1.949 1.00 0.00 C ATOM 431 O GLU A 90 0.741 7.980 -2.046 1.00 0.00 O ATOM 432 CB GLU A 90 1.202 10.601 -1.548 1.00 0.00 C ATOM 433 CG GLU A 90 1.343 12.101 -1.351 1.00 0.00 C ATOM 434 CD GLU A 90 2.626 12.478 -0.637 1.00 0.00 C ATOM 435 OE1 GLU A 90 3.686 11.916 -0.985 1.00 0.00 O ATOM 436 OE2 GLU A 90 2.571 13.335 0.269 1.00 0.00 O ATOM 0 H GLU A 90 -0.319 10.383 0.468 1.00 0.00 H new ATOM 0 HA GLU A 90 -0.771 10.674 -2.397 1.00 0.00 H new ATOM 0 HB2 GLU A 90 1.708 10.087 -0.731 1.00 0.00 H new ATOM 0 HB3 GLU A 90 1.710 10.315 -2.469 1.00 0.00 H new ATOM 0 HG2 GLU A 90 1.313 12.595 -2.322 1.00 0.00 H new ATOM 0 HG3 GLU A 90 0.492 12.470 -0.779 1.00 0.00 H new ATOM 443 N LEU A 91 -1.504 8.113 -2.126 1.00 0.00 N ATOM 444 CA LEU A 91 -1.685 6.703 -2.451 1.00 0.00 C ATOM 445 C LEU A 91 -0.591 6.217 -3.396 1.00 0.00 C ATOM 446 O LEU A 91 -0.554 6.595 -4.567 1.00 0.00 O ATOM 447 CB LEU A 91 -3.059 6.479 -3.085 1.00 0.00 C ATOM 448 CG LEU A 91 -4.258 7.001 -2.292 1.00 0.00 C ATOM 449 CD1 LEU A 91 -5.518 6.962 -3.142 1.00 0.00 C ATOM 450 CD2 LEU A 91 -4.447 6.191 -1.018 1.00 0.00 C ATOM 0 H LEU A 91 -2.372 8.643 -2.050 1.00 0.00 H new ATOM 0 HA LEU A 91 -1.620 6.131 -1.526 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -3.065 6.952 -4.067 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -3.193 5.409 -3.245 1.00 0.00 H new ATOM 0 HG LEU A 91 -4.063 8.037 -2.015 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -6.361 7.337 -2.561 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -5.380 7.585 -4.026 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -5.718 5.936 -3.450 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -5.304 6.576 -0.466 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -4.620 5.146 -1.274 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -3.552 6.270 -0.400 1.00 0.00 H new ATOM 462 N GLY A 92 0.299 5.374 -2.880 1.00 0.00 N ATOM 463 CA GLY A 92 1.380 4.848 -3.692 1.00 0.00 C ATOM 464 C GLY A 92 0.953 3.657 -4.526 1.00 0.00 C ATOM 465 O GLY A 92 0.603 2.607 -3.986 1.00 0.00 O ATOM 0 H GLY A 92 0.290 5.046 -1.914 1.00 0.00 H new ATOM 0 HA2 GLY A 92 1.751 5.634 -4.350 1.00 0.00 H new ATOM 0 HA3 GLY A 92 2.207 4.556 -3.045 1.00 0.00 H new ATOM 469 N ILE A 93 0.979 3.820 -5.844 1.00 0.00 N ATOM 470 CA ILE A 93 0.590 2.749 -6.754 1.00 0.00 C ATOM 471 C ILE A 93 1.763 1.817 -7.039 1.00 0.00 C ATOM 472 O ILE A 93 2.886 2.268 -7.267 1.00 0.00 O ATOM 473 CB ILE A 93 0.057 3.307 -8.086 1.00 0.00 C ATOM 474 CG1 ILE A 93 -1.190 4.160 -7.845 1.00 0.00 C ATOM 475 CG2 ILE A 93 -0.249 2.172 -9.052 1.00 0.00 C ATOM 476 CD1 ILE A 93 -0.885 5.620 -7.598 1.00 0.00 C ATOM 0 H ILE A 93 1.265 4.683 -6.306 1.00 0.00 H new ATOM 0 HA ILE A 93 -0.205 2.189 -6.261 1.00 0.00 H new ATOM 0 HB ILE A 93 0.826 3.939 -8.531 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -1.850 4.076 -8.708 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -1.733 3.761 -6.989 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -0.625 2.583 -9.989 1.00 0.00 H new ATOM 0 HG22 ILE A 93 0.660 1.603 -9.244 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -1.002 1.516 -8.616 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -1.816 6.164 -7.435 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -0.250 5.715 -6.717 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -0.369 6.035 -8.464 1.00 0.00 H new ATOM 488 N CYS A 94 1.495 0.516 -7.026 1.00 0.00 N ATOM 489 CA CYS A 94 2.529 -0.480 -7.284 1.00 0.00 C ATOM 490 C CYS A 94 2.494 -0.935 -8.740 1.00 0.00 C ATOM 491 O CYS A 94 1.472 -0.843 -9.420 1.00 0.00 O ATOM 492 CB CYS A 94 2.349 -1.683 -6.357 1.00 0.00 C ATOM 493 SG CYS A 94 2.755 -1.349 -4.627 1.00 0.00 S ATOM 0 H CYS A 94 0.571 0.126 -6.840 1.00 0.00 H new ATOM 0 HA CYS A 94 3.498 -0.021 -7.089 1.00 0.00 H new ATOM 0 HB2 CYS A 94 1.315 -2.023 -6.417 1.00 0.00 H new ATOM 0 HB3 CYS A 94 2.975 -2.501 -6.715 1.00 0.00 H new ATOM 0 HG CYS A 94 1.760 -1.707 -3.871 1.00 0.00 H new ATOM 499 N PRO A 95 3.637 -1.436 -9.230 1.00 0.00 N ATOM 500 CA PRO A 95 3.764 -1.914 -10.611 1.00 0.00 C ATOM 501 C PRO A 95 2.981 -3.200 -10.853 1.00 0.00 C ATOM 502 O PRO A 95 3.045 -3.782 -11.936 1.00 0.00 O ATOM 503 CB PRO A 95 5.266 -2.165 -10.762 1.00 0.00 C ATOM 504 CG PRO A 95 5.749 -2.423 -9.377 1.00 0.00 C ATOM 505 CD PRO A 95 4.894 -1.575 -8.476 1.00 0.00 C ATOM 0 HA PRO A 95 3.364 -1.199 -11.329 1.00 0.00 H new ATOM 0 HB2 PRO A 95 5.461 -3.016 -11.414 1.00 0.00 H new ATOM 0 HB3 PRO A 95 5.769 -1.304 -11.202 1.00 0.00 H new ATOM 0 HG2 PRO A 95 5.657 -3.479 -9.122 1.00 0.00 H new ATOM 0 HG3 PRO A 95 6.802 -2.161 -9.276 1.00 0.00 H new ATOM 0 HD2 PRO A 95 4.732 -2.052 -7.510 1.00 0.00 H new ATOM 0 HD3 PRO A 95 5.354 -0.607 -8.280 1.00 0.00 H new ATOM 513 N CYS A 96 2.243 -3.638 -9.838 1.00 0.00 N ATOM 514 CA CYS A 96 1.448 -4.856 -9.941 1.00 0.00 C ATOM 515 C CYS A 96 -0.044 -4.534 -9.922 1.00 0.00 C ATOM 516 O CYS A 96 -0.865 -5.367 -9.539 1.00 0.00 O ATOM 517 CB CYS A 96 1.789 -5.810 -8.795 1.00 0.00 C ATOM 518 SG CYS A 96 1.617 -5.075 -7.137 1.00 0.00 S ATOM 0 H CYS A 96 2.179 -3.168 -8.935 1.00 0.00 H new ATOM 0 HA CYS A 96 1.686 -5.338 -10.889 1.00 0.00 H new ATOM 0 HB2 CYS A 96 1.143 -6.685 -8.861 1.00 0.00 H new ATOM 0 HB3 CYS A 96 2.814 -6.160 -8.921 1.00 0.00 H new ATOM 523 N LYS A 97 -0.387 -3.320 -10.338 1.00 0.00 N ATOM 524 CA LYS A 97 -1.778 -2.887 -10.372 1.00 0.00 C ATOM 525 C LYS A 97 -2.401 -2.949 -8.981 1.00 0.00 C ATOM 526 O LYS A 97 -3.567 -3.315 -8.827 1.00 0.00 O ATOM 527 CB LYS A 97 -2.582 -3.757 -11.341 1.00 0.00 C ATOM 528 CG LYS A 97 -2.167 -3.593 -12.793 1.00 0.00 C ATOM 529 CD LYS A 97 -3.342 -3.791 -13.735 1.00 0.00 C ATOM 530 CE LYS A 97 -2.896 -4.371 -15.069 1.00 0.00 C ATOM 531 NZ LYS A 97 -4.013 -4.422 -16.052 1.00 0.00 N ATOM 0 H LYS A 97 0.281 -2.618 -10.657 1.00 0.00 H new ATOM 0 HA LYS A 97 -1.802 -1.853 -10.717 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -2.470 -4.803 -11.056 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -3.640 -3.512 -11.244 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -1.744 -2.599 -12.941 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -1.383 -4.312 -13.032 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -4.071 -4.457 -13.273 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -3.841 -2.836 -13.901 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -2.083 -3.768 -15.474 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -2.502 -5.375 -14.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -3.669 -4.823 -16.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -4.778 -5.018 -15.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -4.373 -3.461 -16.219 1.00 0.00 H new ATOM 545 N HIS A 98 -1.618 -2.587 -7.970 1.00 0.00 N ATOM 546 CA HIS A 98 -2.094 -2.600 -6.591 1.00 0.00 C ATOM 547 C HIS A 98 -1.687 -1.322 -5.864 1.00 0.00 C ATOM 548 O HIS A 98 -0.515 -0.944 -5.861 1.00 0.00 O ATOM 549 CB HIS A 98 -1.543 -3.819 -5.851 1.00 0.00 C ATOM 550 CG HIS A 98 -2.221 -5.102 -6.223 1.00 0.00 C ATOM 551 ND1 HIS A 98 -1.628 -6.337 -6.070 1.00 0.00 N ATOM 552 CD2 HIS A 98 -3.448 -5.336 -6.743 1.00 0.00 C ATOM 553 CE1 HIS A 98 -2.462 -7.277 -6.482 1.00 0.00 C ATOM 554 NE2 HIS A 98 -3.574 -6.695 -6.894 1.00 0.00 N ATOM 0 H HIS A 98 -0.651 -2.281 -8.079 1.00 0.00 H new ATOM 0 HA HIS A 98 -3.182 -2.656 -6.609 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -0.476 -3.908 -6.058 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -1.647 -3.660 -4.778 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -4.190 -4.592 -6.993 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -2.267 -8.339 -6.482 1.00 0.00 H new ATOM 0 HE2 HIS A 98 -4.393 -7.177 -7.264 1.00 0.00 H new ATOM 562 N ALA A 99 -2.662 -0.660 -5.250 1.00 0.00 N ATOM 563 CA ALA A 99 -2.405 0.575 -4.519 1.00 0.00 C ATOM 564 C ALA A 99 -2.491 0.349 -3.013 1.00 0.00 C ATOM 565 O ALA A 99 -3.227 -0.520 -2.547 1.00 0.00 O ATOM 566 CB ALA A 99 -3.384 1.657 -4.949 1.00 0.00 C ATOM 0 H ALA A 99 -3.637 -0.958 -5.244 1.00 0.00 H new ATOM 0 HA ALA A 99 -1.392 0.903 -4.754 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -3.180 2.573 -4.395 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -3.272 1.846 -6.017 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -4.403 1.328 -4.744 1.00 0.00 H new ATOM 572 N PHE A 100 -1.733 1.137 -2.257 1.00 0.00 N ATOM 573 CA PHE A 100 -1.722 1.022 -0.804 1.00 0.00 C ATOM 574 C PHE A 100 -1.412 2.367 -0.154 1.00 0.00 C ATOM 575 O PHE A 100 -0.921 3.287 -0.809 1.00 0.00 O ATOM 576 CB PHE A 100 -0.694 -0.021 -0.361 1.00 0.00 C ATOM 577 CG PHE A 100 -0.889 -1.365 -1.002 1.00 0.00 C ATOM 578 CD1 PHE A 100 -1.725 -2.308 -0.426 1.00 0.00 C ATOM 579 CD2 PHE A 100 -0.236 -1.687 -2.181 1.00 0.00 C ATOM 580 CE1 PHE A 100 -1.908 -3.545 -1.013 1.00 0.00 C ATOM 581 CE2 PHE A 100 -0.414 -2.923 -2.773 1.00 0.00 C ATOM 582 CZ PHE A 100 -1.250 -3.853 -2.188 1.00 0.00 C ATOM 0 H PHE A 100 -1.118 1.862 -2.627 1.00 0.00 H new ATOM 0 HA PHE A 100 -2.714 0.703 -0.483 1.00 0.00 H new ATOM 0 HB2 PHE A 100 0.306 0.343 -0.597 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -0.746 -0.133 0.722 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -2.240 -2.073 0.494 1.00 0.00 H new ATOM 0 HD2 PHE A 100 0.420 -0.964 -2.643 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -2.564 -4.270 -0.554 1.00 0.00 H new ATOM 0 HE2 PHE A 100 0.100 -3.161 -3.692 1.00 0.00 H new ATOM 0 HZ PHE A 100 -1.389 -4.820 -2.648 1.00 0.00 H new ATOM 592 N HIS A 101 -1.701 2.474 1.139 1.00 0.00 N ATOM 593 CA HIS A 101 -1.453 3.706 1.879 1.00 0.00 C ATOM 594 C HIS A 101 0.044 3.960 2.024 1.00 0.00 C ATOM 595 O HIS A 101 0.803 3.064 2.393 1.00 0.00 O ATOM 596 CB HIS A 101 -2.106 3.637 3.260 1.00 0.00 C ATOM 597 CG HIS A 101 -3.579 3.906 3.240 1.00 0.00 C ATOM 598 ND1 HIS A 101 -4.516 2.995 3.681 1.00 0.00 N ATOM 599 CD2 HIS A 101 -4.276 4.991 2.829 1.00 0.00 C ATOM 600 CE1 HIS A 101 -5.726 3.509 3.541 1.00 0.00 C ATOM 601 NE2 HIS A 101 -5.607 4.720 3.027 1.00 0.00 N ATOM 0 H HIS A 101 -2.107 1.722 1.696 1.00 0.00 H new ATOM 0 HA HIS A 101 -1.892 4.532 1.319 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -1.931 2.649 3.687 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -1.622 4.359 3.918 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -3.862 5.901 2.421 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -6.654 3.022 3.802 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -6.379 5.351 2.812 1.00 0.00 H new ATOM 609 N ARG A 102 0.462 5.187 1.729 1.00 0.00 N ATOM 610 CA ARG A 102 1.869 5.559 1.825 1.00 0.00 C ATOM 611 C ARG A 102 2.525 4.898 3.033 1.00 0.00 C ATOM 612 O ARG A 102 3.651 4.408 2.952 1.00 0.00 O ATOM 613 CB ARG A 102 2.011 7.079 1.921 1.00 0.00 C ATOM 614 CG ARG A 102 1.914 7.786 0.579 1.00 0.00 C ATOM 615 CD ARG A 102 3.279 7.935 -0.073 1.00 0.00 C ATOM 616 NE ARG A 102 4.143 8.849 0.669 1.00 0.00 N ATOM 617 CZ ARG A 102 5.154 9.513 0.119 1.00 0.00 C ATOM 618 NH1 ARG A 102 5.425 9.366 -1.170 1.00 0.00 N ATOM 619 NH2 ARG A 102 5.895 10.327 0.860 1.00 0.00 N ATOM 0 H ARG A 102 -0.153 5.940 1.422 1.00 0.00 H new ATOM 0 HA ARG A 102 2.374 5.210 0.924 1.00 0.00 H new ATOM 0 HB2 ARG A 102 1.237 7.467 2.583 1.00 0.00 H new ATOM 0 HB3 ARG A 102 2.971 7.317 2.379 1.00 0.00 H new ATOM 0 HG2 ARG A 102 1.253 7.225 -0.082 1.00 0.00 H new ATOM 0 HG3 ARG A 102 1.466 8.770 0.717 1.00 0.00 H new ATOM 0 HD2 ARG A 102 3.757 6.958 -0.140 1.00 0.00 H new ATOM 0 HD3 ARG A 102 3.156 8.300 -1.093 1.00 0.00 H new ATOM 0 HE ARG A 102 3.961 8.985 1.663 1.00 0.00 H new ATOM 0 HH11 ARG A 102 4.857 8.742 -1.743 1.00 0.00 H new ATOM 0 HH12 ARG A 102 6.202 9.877 -1.589 1.00 0.00 H new ATOM 0 HH21 ARG A 102 5.689 10.443 1.852 1.00 0.00 H new ATOM 0 HH22 ARG A 102 6.671 10.837 0.437 1.00 0.00 H new ATOM 633 N LYS A 103 1.813 4.889 4.155 1.00 0.00 N ATOM 634 CA LYS A 103 2.324 4.288 5.381 1.00 0.00 C ATOM 635 C LYS A 103 2.198 2.769 5.336 1.00 0.00 C ATOM 636 O LYS A 103 3.200 2.053 5.310 1.00 0.00 O ATOM 637 CB LYS A 103 1.570 4.837 6.595 1.00 0.00 C ATOM 638 CG LYS A 103 1.971 4.184 7.906 1.00 0.00 C ATOM 639 CD LYS A 103 3.407 4.515 8.277 1.00 0.00 C ATOM 640 CE LYS A 103 3.910 3.627 9.405 1.00 0.00 C ATOM 641 NZ LYS A 103 4.974 4.295 10.205 1.00 0.00 N ATOM 0 H LYS A 103 0.880 5.292 4.240 1.00 0.00 H new ATOM 0 HA LYS A 103 3.380 4.545 5.469 1.00 0.00 H new ATOM 0 HB2 LYS A 103 1.744 5.911 6.665 1.00 0.00 H new ATOM 0 HB3 LYS A 103 0.500 4.697 6.441 1.00 0.00 H new ATOM 0 HG2 LYS A 103 1.303 4.518 8.700 1.00 0.00 H new ATOM 0 HG3 LYS A 103 1.855 3.103 7.826 1.00 0.00 H new ATOM 0 HD2 LYS A 103 4.047 4.393 7.403 1.00 0.00 H new ATOM 0 HD3 LYS A 103 3.474 5.560 8.578 1.00 0.00 H new ATOM 0 HE2 LYS A 103 3.078 3.362 10.057 1.00 0.00 H new ATOM 0 HE3 LYS A 103 4.298 2.697 8.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 5.290 3.657 10.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 5.779 4.525 9.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 4.597 5.170 10.623 1.00 0.00 H new ATOM 655 N CYS A 104 0.962 2.281 5.327 1.00 0.00 N ATOM 656 CA CYS A 104 0.706 0.847 5.284 1.00 0.00 C ATOM 657 C CYS A 104 1.775 0.127 4.468 1.00 0.00 C ATOM 658 O CYS A 104 2.460 -0.765 4.970 1.00 0.00 O ATOM 659 CB CYS A 104 -0.677 0.573 4.688 1.00 0.00 C ATOM 660 SG CYS A 104 -2.061 1.121 5.737 1.00 0.00 S ATOM 0 H CYS A 104 0.122 2.859 5.349 1.00 0.00 H new ATOM 0 HA CYS A 104 0.737 0.467 6.305 1.00 0.00 H new ATOM 0 HB2 CYS A 104 -0.749 1.071 3.721 1.00 0.00 H new ATOM 0 HB3 CYS A 104 -0.776 -0.497 4.504 1.00 0.00 H new ATOM 665 N LEU A 105 1.914 0.521 3.207 1.00 0.00 N ATOM 666 CA LEU A 105 2.901 -0.086 2.320 1.00 0.00 C ATOM 667 C LEU A 105 4.261 -0.181 3.003 1.00 0.00 C ATOM 668 O LEU A 105 4.748 -1.276 3.288 1.00 0.00 O ATOM 669 CB LEU A 105 3.022 0.725 1.028 1.00 0.00 C ATOM 670 CG LEU A 105 3.682 0.013 -0.152 1.00 0.00 C ATOM 671 CD1 LEU A 105 2.891 -1.228 -0.538 1.00 0.00 C ATOM 672 CD2 LEU A 105 3.812 0.955 -1.340 1.00 0.00 C ATOM 0 H LEU A 105 1.356 1.258 2.776 1.00 0.00 H new ATOM 0 HA LEU A 105 2.565 -1.094 2.079 1.00 0.00 H new ATOM 0 HB2 LEU A 105 2.023 1.039 0.725 1.00 0.00 H new ATOM 0 HB3 LEU A 105 3.589 1.631 1.243 1.00 0.00 H new ATOM 0 HG LEU A 105 4.682 -0.298 0.151 1.00 0.00 H new ATOM 0 HD11 LEU A 105 3.376 -1.722 -1.380 1.00 0.00 H new ATOM 0 HD12 LEU A 105 2.851 -1.912 0.310 1.00 0.00 H new ATOM 0 HD13 LEU A 105 1.878 -0.941 -0.821 1.00 0.00 H new ATOM 0 HD21 LEU A 105 4.284 0.430 -2.171 1.00 0.00 H new ATOM 0 HD22 LEU A 105 2.822 1.298 -1.643 1.00 0.00 H new ATOM 0 HD23 LEU A 105 4.423 1.813 -1.059 1.00 0.00 H new ATOM 684 N ILE A 106 4.868 0.972 3.265 1.00 0.00 N ATOM 685 CA ILE A 106 6.171 1.017 3.918 1.00 0.00 C ATOM 686 C ILE A 106 6.253 0.003 5.053 1.00 0.00 C ATOM 687 O ILE A 106 7.143 -0.847 5.079 1.00 0.00 O ATOM 688 CB ILE A 106 6.471 2.421 4.476 1.00 0.00 C ATOM 689 CG1 ILE A 106 6.524 3.445 3.340 1.00 0.00 C ATOM 690 CG2 ILE A 106 7.781 2.414 5.251 1.00 0.00 C ATOM 691 CD1 ILE A 106 6.408 4.878 3.813 1.00 0.00 C ATOM 0 H ILE A 106 4.479 1.886 3.035 1.00 0.00 H new ATOM 0 HA ILE A 106 6.913 0.769 3.159 1.00 0.00 H new ATOM 0 HB ILE A 106 5.669 2.704 5.158 1.00 0.00 H new ATOM 0 HG12 ILE A 106 7.461 3.325 2.797 1.00 0.00 H new ATOM 0 HG13 ILE A 106 5.718 3.237 2.636 1.00 0.00 H new ATOM 0 HG21 ILE A 106 7.979 3.413 5.639 1.00 0.00 H new ATOM 0 HG22 ILE A 106 7.709 1.710 6.080 1.00 0.00 H new ATOM 0 HG23 ILE A 106 8.594 2.114 4.589 1.00 0.00 H new ATOM 0 HD11 ILE A 106 6.453 5.549 2.955 1.00 0.00 H new ATOM 0 HD12 ILE A 106 5.459 5.014 4.331 1.00 0.00 H new ATOM 0 HD13 ILE A 106 7.229 5.104 4.494 1.00 0.00 H new ATOM 703 N LYS A 107 5.316 0.096 5.991 1.00 0.00 N ATOM 704 CA LYS A 107 5.279 -0.815 7.129 1.00 0.00 C ATOM 705 C LYS A 107 5.362 -2.267 6.666 1.00 0.00 C ATOM 706 O LYS A 107 6.143 -3.054 7.201 1.00 0.00 O ATOM 707 CB LYS A 107 3.999 -0.600 7.939 1.00 0.00 C ATOM 708 CG LYS A 107 3.909 -1.474 9.178 1.00 0.00 C ATOM 709 CD LYS A 107 4.905 -1.039 10.240 1.00 0.00 C ATOM 710 CE LYS A 107 4.405 -1.365 11.639 1.00 0.00 C ATOM 711 NZ LYS A 107 4.500 -2.821 11.937 1.00 0.00 N ATOM 0 H LYS A 107 4.572 0.794 5.985 1.00 0.00 H new ATOM 0 HA LYS A 107 6.142 -0.603 7.761 1.00 0.00 H new ATOM 0 HB2 LYS A 107 3.940 0.447 8.238 1.00 0.00 H new ATOM 0 HB3 LYS A 107 3.138 -0.799 7.301 1.00 0.00 H new ATOM 0 HG2 LYS A 107 2.899 -1.428 9.585 1.00 0.00 H new ATOM 0 HG3 LYS A 107 4.096 -2.513 8.906 1.00 0.00 H new ATOM 0 HD2 LYS A 107 5.861 -1.535 10.069 1.00 0.00 H new ATOM 0 HD3 LYS A 107 5.083 0.033 10.156 1.00 0.00 H new ATOM 0 HE2 LYS A 107 4.986 -0.806 12.372 1.00 0.00 H new ATOM 0 HE3 LYS A 107 3.369 -1.041 11.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 4.150 -3.002 12.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 3.925 -3.354 11.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 5.492 -3.126 11.867 1.00 0.00 H new ATOM 725 N TRP A 108 4.555 -2.613 5.671 1.00 0.00 N ATOM 726 CA TRP A 108 4.539 -3.969 5.136 1.00 0.00 C ATOM 727 C TRP A 108 5.888 -4.329 4.523 1.00 0.00 C ATOM 728 O TRP A 108 6.424 -5.411 4.768 1.00 0.00 O ATOM 729 CB TRP A 108 3.435 -4.114 4.088 1.00 0.00 C ATOM 730 CG TRP A 108 3.356 -5.487 3.493 1.00 0.00 C ATOM 731 CD1 TRP A 108 3.887 -5.896 2.303 1.00 0.00 C ATOM 732 CD2 TRP A 108 2.707 -6.631 4.059 1.00 0.00 C ATOM 733 NE1 TRP A 108 3.607 -7.226 2.095 1.00 0.00 N ATOM 734 CE2 TRP A 108 2.885 -7.699 3.159 1.00 0.00 C ATOM 735 CE3 TRP A 108 1.995 -6.857 5.240 1.00 0.00 C ATOM 736 CZ2 TRP A 108 2.375 -8.972 3.404 1.00 0.00 C ATOM 737 CZ3 TRP A 108 1.490 -8.120 5.482 1.00 0.00 C ATOM 738 CH2 TRP A 108 1.682 -9.164 4.568 1.00 0.00 C ATOM 0 H TRP A 108 3.903 -1.973 5.218 1.00 0.00 H new ATOM 0 HA TRP A 108 4.340 -4.654 5.960 1.00 0.00 H new ATOM 0 HB2 TRP A 108 2.476 -3.868 4.545 1.00 0.00 H new ATOM 0 HB3 TRP A 108 3.603 -3.390 3.291 1.00 0.00 H new ATOM 0 HD1 TRP A 108 4.445 -5.267 1.625 1.00 0.00 H new ATOM 0 HE1 TRP A 108 3.891 -7.772 1.281 1.00 0.00 H new ATOM 0 HE3 TRP A 108 1.842 -6.059 5.951 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 2.521 -9.778 2.701 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 0.938 -8.306 6.391 1.00 0.00 H new ATOM 0 HH2 TRP A 108 1.275 -10.140 4.787 1.00 0.00 H new ATOM 749 N LEU A 109 6.434 -3.416 3.727 1.00 0.00 N ATOM 750 CA LEU A 109 7.722 -3.637 3.080 1.00 0.00 C ATOM 751 C LEU A 109 8.781 -4.043 4.099 1.00 0.00 C ATOM 752 O LEU A 109 9.643 -4.875 3.815 1.00 0.00 O ATOM 753 CB LEU A 109 8.167 -2.374 2.341 1.00 0.00 C ATOM 754 CG LEU A 109 7.252 -1.899 1.211 1.00 0.00 C ATOM 755 CD1 LEU A 109 7.521 -0.439 0.884 1.00 0.00 C ATOM 756 CD2 LEU A 109 7.436 -2.767 -0.025 1.00 0.00 C ATOM 0 H LEU A 109 6.004 -2.516 3.514 1.00 0.00 H new ATOM 0 HA LEU A 109 7.605 -4.449 2.362 1.00 0.00 H new ATOM 0 HB2 LEU A 109 8.263 -1.567 3.067 1.00 0.00 H new ATOM 0 HB3 LEU A 109 9.160 -2.550 1.928 1.00 0.00 H new ATOM 0 HG LEU A 109 6.218 -1.991 1.544 1.00 0.00 H new ATOM 0 HD11 LEU A 109 6.861 -0.119 0.078 1.00 0.00 H new ATOM 0 HD12 LEU A 109 7.337 0.172 1.768 1.00 0.00 H new ATOM 0 HD13 LEU A 109 8.559 -0.321 0.571 1.00 0.00 H new ATOM 0 HD21 LEU A 109 6.777 -2.414 -0.819 1.00 0.00 H new ATOM 0 HD22 LEU A 109 8.472 -2.708 -0.360 1.00 0.00 H new ATOM 0 HD23 LEU A 109 7.191 -3.801 0.217 1.00 0.00 H new ATOM 768 N GLU A 110 8.709 -3.452 5.288 1.00 0.00 N ATOM 769 CA GLU A 110 9.662 -3.754 6.350 1.00 0.00 C ATOM 770 C GLU A 110 9.650 -5.243 6.683 1.00 0.00 C ATOM 771 O GLU A 110 10.661 -5.931 6.538 1.00 0.00 O ATOM 772 CB GLU A 110 9.339 -2.937 7.602 1.00 0.00 C ATOM 773 CG GLU A 110 9.824 -1.499 7.533 1.00 0.00 C ATOM 774 CD GLU A 110 11.315 -1.374 7.783 1.00 0.00 C ATOM 775 OE1 GLU A 110 12.095 -1.552 6.824 1.00 0.00 O ATOM 776 OE2 GLU A 110 11.701 -1.097 8.938 1.00 0.00 O ATOM 0 H GLU A 110 8.001 -2.762 5.540 1.00 0.00 H new ATOM 0 HA GLU A 110 10.658 -3.486 5.998 1.00 0.00 H new ATOM 0 HB2 GLU A 110 8.260 -2.940 7.759 1.00 0.00 H new ATOM 0 HB3 GLU A 110 9.789 -3.422 8.468 1.00 0.00 H new ATOM 0 HG2 GLU A 110 9.588 -1.086 6.552 1.00 0.00 H new ATOM 0 HG3 GLU A 110 9.285 -0.902 8.268 1.00 0.00 H new ATOM 783 N VAL A 111 8.499 -5.734 7.131 1.00 0.00 N ATOM 784 CA VAL A 111 8.355 -7.141 7.485 1.00 0.00 C ATOM 785 C VAL A 111 8.579 -8.039 6.273 1.00 0.00 C ATOM 786 O VAL A 111 9.260 -9.060 6.362 1.00 0.00 O ATOM 787 CB VAL A 111 6.962 -7.432 8.074 1.00 0.00 C ATOM 788 CG1 VAL A 111 6.779 -6.703 9.397 1.00 0.00 C ATOM 789 CG2 VAL A 111 5.874 -7.040 7.086 1.00 0.00 C ATOM 0 H VAL A 111 7.653 -5.178 7.257 1.00 0.00 H new ATOM 0 HA VAL A 111 9.113 -7.356 8.238 1.00 0.00 H new ATOM 0 HB VAL A 111 6.882 -8.503 8.262 1.00 0.00 H new ATOM 0 HG11 VAL A 111 5.789 -6.920 9.798 1.00 0.00 H new ATOM 0 HG12 VAL A 111 7.539 -7.036 10.104 1.00 0.00 H new ATOM 0 HG13 VAL A 111 6.878 -5.629 9.238 1.00 0.00 H new ATOM 0 HG21 VAL A 111 4.896 -7.252 7.518 1.00 0.00 H new ATOM 0 HG22 VAL A 111 5.950 -5.975 6.865 1.00 0.00 H new ATOM 0 HG23 VAL A 111 5.995 -7.611 6.166 1.00 0.00 H new ATOM 799 N ARG A 112 8.001 -7.650 5.141 1.00 0.00 N ATOM 800 CA ARG A 112 8.137 -8.420 3.910 1.00 0.00 C ATOM 801 C ARG A 112 8.225 -7.497 2.699 1.00 0.00 C ATOM 802 O ARG A 112 7.344 -6.667 2.471 1.00 0.00 O ATOM 803 CB ARG A 112 6.956 -9.379 3.750 1.00 0.00 C ATOM 804 CG ARG A 112 7.307 -10.660 3.013 1.00 0.00 C ATOM 805 CD ARG A 112 6.312 -11.769 3.317 1.00 0.00 C ATOM 806 NE ARG A 112 6.633 -12.468 4.558 1.00 0.00 N ATOM 807 CZ ARG A 112 5.735 -13.120 5.288 1.00 0.00 C ATOM 808 NH1 ARG A 112 4.467 -13.163 4.902 1.00 0.00 N ATOM 809 NH2 ARG A 112 6.105 -13.732 6.406 1.00 0.00 N ATOM 0 H ARG A 112 7.434 -6.807 5.051 1.00 0.00 H new ATOM 0 HA ARG A 112 9.059 -8.998 3.972 1.00 0.00 H new ATOM 0 HB2 ARG A 112 6.568 -9.632 4.737 1.00 0.00 H new ATOM 0 HB3 ARG A 112 6.155 -8.869 3.214 1.00 0.00 H new ATOM 0 HG2 ARG A 112 7.325 -10.470 1.940 1.00 0.00 H new ATOM 0 HG3 ARG A 112 8.309 -10.981 3.297 1.00 0.00 H new ATOM 0 HD2 ARG A 112 5.309 -11.347 3.388 1.00 0.00 H new ATOM 0 HD3 ARG A 112 6.300 -12.482 2.492 1.00 0.00 H new ATOM 0 HE ARG A 112 7.600 -12.455 4.882 1.00 0.00 H new ATOM 0 HH11 ARG A 112 4.179 -12.695 4.043 1.00 0.00 H new ATOM 0 HH12 ARG A 112 3.779 -13.664 5.464 1.00 0.00 H new ATOM 0 HH21 ARG A 112 7.080 -13.702 6.705 1.00 0.00 H new ATOM 0 HH22 ARG A 112 5.415 -14.232 6.966 1.00 0.00 H new ATOM 823 N LYS A 113 9.294 -7.646 1.924 1.00 0.00 N ATOM 824 CA LYS A 113 9.498 -6.827 0.734 1.00 0.00 C ATOM 825 C LYS A 113 8.656 -7.340 -0.430 1.00 0.00 C ATOM 826 O LYS A 113 9.144 -7.465 -1.554 1.00 0.00 O ATOM 827 CB LYS A 113 10.977 -6.819 0.344 1.00 0.00 C ATOM 828 CG LYS A 113 11.530 -8.197 0.023 1.00 0.00 C ATOM 829 CD LYS A 113 12.925 -8.113 -0.573 1.00 0.00 C ATOM 830 CE LYS A 113 12.877 -7.816 -2.064 1.00 0.00 C ATOM 831 NZ LYS A 113 12.572 -9.036 -2.863 1.00 0.00 N ATOM 0 H LYS A 113 10.033 -8.327 2.099 1.00 0.00 H new ATOM 0 HA LYS A 113 9.184 -5.809 0.965 1.00 0.00 H new ATOM 0 HB2 LYS A 113 11.112 -6.172 -0.523 1.00 0.00 H new ATOM 0 HB3 LYS A 113 11.556 -6.385 1.159 1.00 0.00 H new ATOM 0 HG2 LYS A 113 11.557 -8.800 0.931 1.00 0.00 H new ATOM 0 HG3 LYS A 113 10.865 -8.703 -0.676 1.00 0.00 H new ATOM 0 HD2 LYS A 113 13.493 -7.334 -0.064 1.00 0.00 H new ATOM 0 HD3 LYS A 113 13.451 -9.053 -0.405 1.00 0.00 H new ATOM 0 HE2 LYS A 113 12.121 -7.056 -2.259 1.00 0.00 H new ATOM 0 HE3 LYS A 113 13.834 -7.403 -2.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 12.548 -8.792 -3.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 13.307 -9.752 -2.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 11.647 -9.416 -2.577 1.00 0.00 H new ATOM 845 N VAL A 114 7.390 -7.635 -0.154 1.00 0.00 N ATOM 846 CA VAL A 114 6.480 -8.132 -1.180 1.00 0.00 C ATOM 847 C VAL A 114 5.102 -7.495 -1.047 1.00 0.00 C ATOM 848 O VAL A 114 4.802 -6.839 -0.049 1.00 0.00 O ATOM 849 CB VAL A 114 6.335 -9.664 -1.107 1.00 0.00 C ATOM 850 CG1 VAL A 114 7.702 -10.328 -1.042 1.00 0.00 C ATOM 851 CG2 VAL A 114 5.483 -10.062 0.089 1.00 0.00 C ATOM 0 H VAL A 114 6.971 -7.539 0.771 1.00 0.00 H new ATOM 0 HA VAL A 114 6.911 -7.861 -2.144 1.00 0.00 H new ATOM 0 HB VAL A 114 5.834 -10.007 -2.012 1.00 0.00 H new ATOM 0 HG11 VAL A 114 7.579 -11.410 -0.991 1.00 0.00 H new ATOM 0 HG12 VAL A 114 8.275 -10.070 -1.933 1.00 0.00 H new ATOM 0 HG13 VAL A 114 8.233 -9.981 -0.156 1.00 0.00 H new ATOM 0 HG21 VAL A 114 5.391 -11.148 0.125 1.00 0.00 H new ATOM 0 HG22 VAL A 114 5.954 -9.707 1.006 1.00 0.00 H new ATOM 0 HG23 VAL A 114 4.493 -9.617 -0.006 1.00 0.00 H new ATOM 861 N CYS A 115 4.265 -7.693 -2.060 1.00 0.00 N ATOM 862 CA CYS A 115 2.916 -7.138 -2.057 1.00 0.00 C ATOM 863 C CYS A 115 1.963 -8.028 -1.264 1.00 0.00 C ATOM 864 O CYS A 115 1.840 -9.227 -1.515 1.00 0.00 O ATOM 865 CB CYS A 115 2.406 -6.976 -3.491 1.00 0.00 C ATOM 866 SG CYS A 115 0.857 -6.028 -3.626 1.00 0.00 S ATOM 0 H CYS A 115 4.497 -8.233 -2.893 1.00 0.00 H new ATOM 0 HA CYS A 115 2.953 -6.159 -1.579 1.00 0.00 H new ATOM 0 HB2 CYS A 115 3.175 -6.482 -4.085 1.00 0.00 H new ATOM 0 HB3 CYS A 115 2.254 -7.964 -3.925 1.00 0.00 H new ATOM 871 N PRO A 116 1.272 -7.428 -0.284 1.00 0.00 N ATOM 872 CA PRO A 116 0.318 -8.147 0.566 1.00 0.00 C ATOM 873 C PRO A 116 -0.936 -8.564 -0.195 1.00 0.00 C ATOM 874 O PRO A 116 -1.896 -9.060 0.394 1.00 0.00 O ATOM 875 CB PRO A 116 -0.031 -7.125 1.651 1.00 0.00 C ATOM 876 CG PRO A 116 0.218 -5.800 1.017 1.00 0.00 C ATOM 877 CD PRO A 116 1.369 -6.002 0.071 1.00 0.00 C ATOM 0 HA PRO A 116 0.737 -9.075 0.954 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -1.069 -7.223 1.968 1.00 0.00 H new ATOM 0 HB3 PRO A 116 0.588 -7.262 2.538 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -0.667 -5.450 0.486 1.00 0.00 H new ATOM 0 HG3 PRO A 116 0.458 -5.047 1.768 1.00 0.00 H new ATOM 0 HD2 PRO A 116 1.284 -5.362 -0.808 1.00 0.00 H new ATOM 0 HD3 PRO A 116 2.323 -5.769 0.544 1.00 0.00 H new ATOM 885 N LEU A 117 -0.920 -8.361 -1.508 1.00 0.00 N ATOM 886 CA LEU A 117 -2.056 -8.717 -2.351 1.00 0.00 C ATOM 887 C LEU A 117 -1.699 -9.864 -3.291 1.00 0.00 C ATOM 888 O LEU A 117 -2.227 -10.969 -3.169 1.00 0.00 O ATOM 889 CB LEU A 117 -2.516 -7.503 -3.161 1.00 0.00 C ATOM 890 CG LEU A 117 -3.510 -6.571 -2.467 1.00 0.00 C ATOM 891 CD1 LEU A 117 -3.758 -5.331 -3.312 1.00 0.00 C ATOM 892 CD2 LEU A 117 -4.817 -7.298 -2.187 1.00 0.00 C ATOM 0 H LEU A 117 -0.133 -7.952 -2.012 1.00 0.00 H new ATOM 0 HA LEU A 117 -2.869 -9.043 -1.703 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -1.637 -6.922 -3.438 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -2.968 -7.859 -4.087 1.00 0.00 H new ATOM 0 HG LEU A 117 -3.081 -6.257 -1.515 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -4.468 -4.679 -2.802 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -2.819 -4.798 -3.461 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -4.165 -5.625 -4.279 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -5.512 -6.619 -1.693 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -5.251 -7.641 -3.126 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -4.626 -8.155 -1.541 1.00 0.00 H new ATOM 904 N CYS A 118 -0.796 -9.594 -4.228 1.00 0.00 N ATOM 905 CA CYS A 118 -0.365 -10.603 -5.189 1.00 0.00 C ATOM 906 C CYS A 118 0.759 -11.458 -4.611 1.00 0.00 C ATOM 907 O CYS A 118 1.072 -12.526 -5.136 1.00 0.00 O ATOM 908 CB CYS A 118 0.100 -9.937 -6.485 1.00 0.00 C ATOM 909 SG CYS A 118 1.306 -8.593 -6.240 1.00 0.00 S ATOM 0 H CYS A 118 -0.348 -8.685 -4.342 1.00 0.00 H new ATOM 0 HA CYS A 118 -1.215 -11.250 -5.406 1.00 0.00 H new ATOM 0 HB2 CYS A 118 0.543 -10.695 -7.132 1.00 0.00 H new ATOM 0 HB3 CYS A 118 -0.769 -9.540 -7.009 1.00 0.00 H new ATOM 914 N ASN A 119 1.362 -10.981 -3.527 1.00 0.00 N ATOM 915 CA ASN A 119 2.451 -11.701 -2.878 1.00 0.00 C ATOM 916 C ASN A 119 3.625 -11.889 -3.835 1.00 0.00 C ATOM 917 O ASN A 119 4.221 -12.963 -3.899 1.00 0.00 O ATOM 918 CB ASN A 119 1.964 -13.062 -2.378 1.00 0.00 C ATOM 919 CG ASN A 119 1.432 -13.001 -0.959 1.00 0.00 C ATOM 920 OD1 ASN A 119 2.173 -12.712 -0.019 1.00 0.00 O ATOM 921 ND2 ASN A 119 0.143 -13.273 -0.798 1.00 0.00 N ATOM 0 H ASN A 119 1.115 -10.098 -3.079 1.00 0.00 H new ATOM 0 HA ASN A 119 2.789 -11.109 -2.028 1.00 0.00 H new ATOM 0 HB2 ASN A 119 1.181 -13.431 -3.041 1.00 0.00 H new ATOM 0 HB3 ASN A 119 2.785 -13.778 -2.425 1.00 0.00 H new ATOM 0 HD21 ASN A 119 -0.271 -13.247 0.134 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -0.434 -13.508 -1.606 1.00 0.00 H new ATOM 928 N MET A 120 3.951 -10.835 -4.576 1.00 0.00 N ATOM 929 CA MET A 120 5.055 -10.883 -5.528 1.00 0.00 C ATOM 930 C MET A 120 6.202 -9.986 -5.076 1.00 0.00 C ATOM 931 O MET A 120 6.005 -8.835 -4.683 1.00 0.00 O ATOM 932 CB MET A 120 4.577 -10.458 -6.918 1.00 0.00 C ATOM 933 CG MET A 120 5.711 -10.144 -7.881 1.00 0.00 C ATOM 934 SD MET A 120 5.120 -9.647 -9.510 1.00 0.00 S ATOM 935 CE MET A 120 6.664 -9.540 -10.412 1.00 0.00 C ATOM 0 H MET A 120 3.467 -9.938 -4.536 1.00 0.00 H new ATOM 0 HA MET A 120 5.417 -11.910 -5.575 1.00 0.00 H new ATOM 0 HB2 MET A 120 3.962 -11.253 -7.340 1.00 0.00 H new ATOM 0 HB3 MET A 120 3.940 -9.579 -6.821 1.00 0.00 H new ATOM 0 HG2 MET A 120 6.327 -9.348 -7.464 1.00 0.00 H new ATOM 0 HG3 MET A 120 6.350 -11.021 -7.982 1.00 0.00 H new ATOM 0 HE1 MET A 120 6.464 -9.242 -11.441 1.00 0.00 H new ATOM 0 HE2 MET A 120 7.311 -8.801 -9.939 1.00 0.00 H new ATOM 0 HE3 MET A 120 7.157 -10.512 -10.405 1.00 0.00 H new ATOM 945 N PRO A 121 7.431 -10.521 -5.130 1.00 0.00 N ATOM 946 CA PRO A 121 8.634 -9.786 -4.730 1.00 0.00 C ATOM 947 C PRO A 121 8.975 -8.660 -5.701 1.00 0.00 C ATOM 948 O PRO A 121 9.411 -8.907 -6.825 1.00 0.00 O ATOM 949 CB PRO A 121 9.727 -10.857 -4.748 1.00 0.00 C ATOM 950 CG PRO A 121 9.238 -11.881 -5.714 1.00 0.00 C ATOM 951 CD PRO A 121 7.740 -11.886 -5.588 1.00 0.00 C ATOM 0 HA PRO A 121 8.511 -9.299 -3.762 1.00 0.00 H new ATOM 0 HB2 PRO A 121 10.684 -10.441 -5.063 1.00 0.00 H new ATOM 0 HB3 PRO A 121 9.877 -11.287 -3.757 1.00 0.00 H new ATOM 0 HG2 PRO A 121 9.543 -11.635 -6.731 1.00 0.00 H new ATOM 0 HG3 PRO A 121 9.652 -12.863 -5.485 1.00 0.00 H new ATOM 0 HD2 PRO A 121 7.258 -12.109 -6.540 1.00 0.00 H new ATOM 0 HD3 PRO A 121 7.399 -12.636 -4.874 1.00 0.00 H new ATOM 959 N VAL A 122 8.773 -7.422 -5.259 1.00 0.00 N ATOM 960 CA VAL A 122 9.061 -6.258 -6.089 1.00 0.00 C ATOM 961 C VAL A 122 10.484 -5.760 -5.861 1.00 0.00 C ATOM 962 O VAL A 122 10.967 -5.723 -4.729 1.00 0.00 O ATOM 963 CB VAL A 122 8.075 -5.110 -5.806 1.00 0.00 C ATOM 964 CG1 VAL A 122 8.292 -3.966 -6.784 1.00 0.00 C ATOM 965 CG2 VAL A 122 6.640 -5.612 -5.869 1.00 0.00 C ATOM 0 H VAL A 122 8.411 -7.200 -4.332 1.00 0.00 H new ATOM 0 HA VAL A 122 8.951 -6.573 -7.127 1.00 0.00 H new ATOM 0 HB VAL A 122 8.260 -4.735 -4.799 1.00 0.00 H new ATOM 0 HG11 VAL A 122 7.586 -3.164 -6.568 1.00 0.00 H new ATOM 0 HG12 VAL A 122 9.310 -3.590 -6.684 1.00 0.00 H new ATOM 0 HG13 VAL A 122 8.136 -4.323 -7.802 1.00 0.00 H new ATOM 0 HG21 VAL A 122 5.957 -4.787 -5.666 1.00 0.00 H new ATOM 0 HG22 VAL A 122 6.439 -6.015 -6.862 1.00 0.00 H new ATOM 0 HG23 VAL A 122 6.495 -6.394 -5.124 1.00 0.00 H new ATOM 975 N LEU A 123 11.150 -5.376 -6.944 1.00 0.00 N ATOM 976 CA LEU A 123 12.519 -4.878 -6.864 1.00 0.00 C ATOM 977 C LEU A 123 12.662 -3.555 -7.611 1.00 0.00 C ATOM 978 O LEU A 123 13.126 -3.523 -8.750 1.00 0.00 O ATOM 979 CB LEU A 123 13.492 -5.909 -7.438 1.00 0.00 C ATOM 980 CG LEU A 123 13.763 -7.135 -6.566 1.00 0.00 C ATOM 981 CD1 LEU A 123 14.499 -8.203 -7.360 1.00 0.00 C ATOM 982 CD2 LEU A 123 14.559 -6.745 -5.329 1.00 0.00 C ATOM 0 H LEU A 123 10.765 -5.400 -7.888 1.00 0.00 H new ATOM 0 HA LEU A 123 12.757 -4.708 -5.814 1.00 0.00 H new ATOM 0 HB2 LEU A 123 13.104 -6.250 -8.398 1.00 0.00 H new ATOM 0 HB3 LEU A 123 14.442 -5.412 -7.636 1.00 0.00 H new ATOM 0 HG LEU A 123 12.806 -7.546 -6.243 1.00 0.00 H new ATOM 0 HD11 LEU A 123 14.683 -9.068 -6.723 1.00 0.00 H new ATOM 0 HD12 LEU A 123 13.892 -8.504 -8.214 1.00 0.00 H new ATOM 0 HD13 LEU A 123 15.450 -7.803 -7.713 1.00 0.00 H new ATOM 0 HD21 LEU A 123 14.742 -7.630 -4.720 1.00 0.00 H new ATOM 0 HD22 LEU A 123 15.511 -6.309 -5.632 1.00 0.00 H new ATOM 0 HD23 LEU A 123 13.994 -6.016 -4.748 1.00 0.00 H new ATOM 994 N GLN A 124 12.263 -2.468 -6.959 1.00 0.00 N ATOM 995 CA GLN A 124 12.349 -1.143 -7.562 1.00 0.00 C ATOM 996 C GLN A 124 11.967 -0.062 -6.556 1.00 0.00 C ATOM 997 O GLN A 124 10.854 -0.056 -6.027 1.00 0.00 O ATOM 998 CB GLN A 124 11.440 -1.058 -8.789 1.00 0.00 C ATOM 999 CG GLN A 124 11.430 0.313 -9.445 1.00 0.00 C ATOM 1000 CD GLN A 124 10.183 0.556 -10.271 1.00 0.00 C ATOM 1001 OE1 GLN A 124 9.063 0.358 -9.799 1.00 0.00 O ATOM 1002 NE2 GLN A 124 10.369 0.989 -11.513 1.00 0.00 N ATOM 0 H GLN A 124 11.878 -2.478 -6.015 1.00 0.00 H new ATOM 0 HA GLN A 124 13.381 -0.978 -7.871 1.00 0.00 H new ATOM 0 HB2 GLN A 124 11.761 -1.799 -9.521 1.00 0.00 H new ATOM 0 HB3 GLN A 124 10.423 -1.319 -8.496 1.00 0.00 H new ATOM 0 HG2 GLN A 124 11.506 1.081 -8.675 1.00 0.00 H new ATOM 0 HG3 GLN A 124 12.308 0.413 -10.082 1.00 0.00 H new ATOM 0 HE21 GLN A 124 11.315 1.140 -11.864 1.00 0.00 H new ATOM 0 HE22 GLN A 124 9.566 1.171 -12.115 1.00 0.00 H new ATOM 1011 N LEU A 125 12.896 0.851 -6.295 1.00 0.00 N ATOM 1012 CA LEU A 125 12.657 1.938 -5.352 1.00 0.00 C ATOM 1013 C LEU A 125 12.572 3.278 -6.075 1.00 0.00 C ATOM 1014 O LEU A 125 13.590 3.849 -6.466 1.00 0.00 O ATOM 1015 CB LEU A 125 13.768 1.982 -4.301 1.00 0.00 C ATOM 1016 CG LEU A 125 13.627 1.005 -3.134 1.00 0.00 C ATOM 1017 CD1 LEU A 125 13.746 -0.431 -3.621 1.00 0.00 C ATOM 1018 CD2 LEU A 125 14.670 1.296 -2.065 1.00 0.00 C ATOM 0 H LEU A 125 13.822 0.860 -6.723 1.00 0.00 H new ATOM 0 HA LEU A 125 11.704 1.753 -4.857 1.00 0.00 H new ATOM 0 HB2 LEU A 125 14.719 1.788 -4.798 1.00 0.00 H new ATOM 0 HB3 LEU A 125 13.819 2.993 -3.898 1.00 0.00 H new ATOM 0 HG LEU A 125 12.639 1.136 -2.694 1.00 0.00 H new ATOM 0 HD11 LEU A 125 13.643 -1.112 -2.776 1.00 0.00 H new ATOM 0 HD12 LEU A 125 12.960 -0.635 -4.349 1.00 0.00 H new ATOM 0 HD13 LEU A 125 14.720 -0.577 -4.088 1.00 0.00 H new ATOM 0 HD21 LEU A 125 14.554 0.591 -1.242 1.00 0.00 H new ATOM 0 HD22 LEU A 125 15.667 1.194 -2.493 1.00 0.00 H new ATOM 0 HD23 LEU A 125 14.536 2.312 -1.693 1.00 0.00 H new ATOM 1030 N ALA A 126 11.352 3.776 -6.247 1.00 0.00 N ATOM 1031 CA ALA A 126 11.135 5.051 -6.919 1.00 0.00 C ATOM 1032 C ALA A 126 12.129 5.248 -8.058 1.00 0.00 C ATOM 1033 O ALA A 126 12.668 6.339 -8.242 1.00 0.00 O ATOM 1034 CB ALA A 126 11.237 6.197 -5.923 1.00 0.00 C ATOM 0 H ALA A 126 10.499 3.316 -5.930 1.00 0.00 H new ATOM 0 HA ALA A 126 10.132 5.042 -7.345 1.00 0.00 H new ATOM 0 HB1 ALA A 126 11.073 7.143 -6.439 1.00 0.00 H new ATOM 0 HB2 ALA A 126 10.483 6.072 -5.146 1.00 0.00 H new ATOM 0 HB3 ALA A 126 12.228 6.198 -5.470 1.00 0.00 H new ATOM 1040 N GLN A 127 12.368 4.184 -8.819 1.00 0.00 N ATOM 1041 CA GLN A 127 13.300 4.241 -9.939 1.00 0.00 C ATOM 1042 C GLN A 127 12.709 3.568 -11.173 1.00 0.00 C ATOM 1043 O GLN A 127 12.828 2.354 -11.349 1.00 0.00 O ATOM 1044 CB GLN A 127 14.624 3.573 -9.564 1.00 0.00 C ATOM 1045 CG GLN A 127 15.568 4.483 -8.796 1.00 0.00 C ATOM 1046 CD GLN A 127 16.655 3.716 -8.068 1.00 0.00 C ATOM 1047 OE1 GLN A 127 16.715 2.488 -8.134 1.00 0.00 O ATOM 1048 NE2 GLN A 127 17.522 4.438 -7.369 1.00 0.00 N ATOM 0 H GLN A 127 11.930 3.274 -8.680 1.00 0.00 H new ATOM 0 HA GLN A 127 13.484 5.290 -10.172 1.00 0.00 H new ATOM 0 HB2 GLN A 127 14.417 2.687 -8.963 1.00 0.00 H new ATOM 0 HB3 GLN A 127 15.120 3.233 -10.473 1.00 0.00 H new ATOM 0 HG2 GLN A 127 16.028 5.190 -9.487 1.00 0.00 H new ATOM 0 HG3 GLN A 127 14.997 5.068 -8.075 1.00 0.00 H new ATOM 0 HE21 GLN A 127 17.435 5.454 -7.342 1.00 0.00 H new ATOM 0 HE22 GLN A 127 18.275 3.977 -6.859 1.00 0.00 H new ATOM 1057 N LEU A 128 12.071 4.362 -12.026 1.00 0.00 N ATOM 1058 CA LEU A 128 11.461 3.842 -13.245 1.00 0.00 C ATOM 1059 C LEU A 128 12.506 3.654 -14.340 1.00 0.00 C ATOM 1060 O LEU A 128 12.659 4.504 -15.218 1.00 0.00 O ATOM 1061 CB LEU A 128 10.361 4.788 -13.731 1.00 0.00 C ATOM 1062 CG LEU A 128 8.989 4.614 -13.078 1.00 0.00 C ATOM 1063 CD1 LEU A 128 8.944 5.322 -11.733 1.00 0.00 C ATOM 1064 CD2 LEU A 128 7.892 5.135 -13.995 1.00 0.00 C ATOM 0 H LEU A 128 11.963 5.368 -11.896 1.00 0.00 H new ATOM 0 HA LEU A 128 11.022 2.871 -13.017 1.00 0.00 H new ATOM 0 HB2 LEU A 128 10.692 5.813 -13.566 1.00 0.00 H new ATOM 0 HB3 LEU A 128 10.248 4.659 -14.807 1.00 0.00 H new ATOM 0 HG LEU A 128 8.820 3.550 -12.911 1.00 0.00 H new ATOM 0 HD11 LEU A 128 7.960 5.187 -11.284 1.00 0.00 H new ATOM 0 HD12 LEU A 128 9.704 4.902 -11.075 1.00 0.00 H new ATOM 0 HD13 LEU A 128 9.135 6.386 -11.875 1.00 0.00 H new ATOM 0 HD21 LEU A 128 6.923 5.003 -13.514 1.00 0.00 H new ATOM 0 HD22 LEU A 128 8.057 6.194 -14.195 1.00 0.00 H new ATOM 0 HD23 LEU A 128 7.909 4.582 -14.934 1.00 0.00 H new ATOM 1076 N SER A 129 13.220 2.535 -14.283 1.00 0.00 N ATOM 1077 CA SER A 129 14.252 2.236 -15.269 1.00 0.00 C ATOM 1078 C SER A 129 13.665 2.202 -16.677 1.00 0.00 C ATOM 1079 O SER A 129 14.143 2.890 -17.578 1.00 0.00 O ATOM 1080 CB SER A 129 14.919 0.896 -14.951 1.00 0.00 C ATOM 1081 OG SER A 129 16.119 0.736 -15.687 1.00 0.00 O ATOM 0 H SER A 129 13.103 1.820 -13.565 1.00 0.00 H new ATOM 0 HA SER A 129 15.001 3.027 -15.225 1.00 0.00 H new ATOM 0 HB2 SER A 129 15.133 0.837 -13.884 1.00 0.00 H new ATOM 0 HB3 SER A 129 14.234 0.081 -15.185 1.00 0.00 H new ATOM 0 HG SER A 129 16.527 -0.127 -15.465 1.00 0.00 H new ATOM 1087 N GLY A 130 12.622 1.397 -16.858 1.00 0.00 N ATOM 1088 CA GLY A 130 11.986 1.287 -18.158 1.00 0.00 C ATOM 1089 C GLY A 130 11.606 -0.140 -18.499 1.00 0.00 C ATOM 1090 O GLY A 130 12.390 -1.072 -18.325 1.00 0.00 O ATOM 0 H GLY A 130 12.206 0.819 -16.127 1.00 0.00 H new ATOM 0 HA2 GLY A 130 11.093 1.912 -18.176 1.00 0.00 H new ATOM 0 HA3 GLY A 130 12.660 1.673 -18.923 1.00 0.00 H new ATOM 1094 N PRO A 131 10.373 -0.325 -18.994 1.00 0.00 N ATOM 1095 CA PRO A 131 9.862 -1.647 -19.370 1.00 0.00 C ATOM 1096 C PRO A 131 10.551 -2.204 -20.610 1.00 0.00 C ATOM 1097 O PRO A 131 10.223 -3.296 -21.077 1.00 0.00 O ATOM 1098 CB PRO A 131 8.380 -1.386 -19.653 1.00 0.00 C ATOM 1099 CG PRO A 131 8.314 0.053 -20.029 1.00 0.00 C ATOM 1100 CD PRO A 131 9.384 0.741 -19.227 1.00 0.00 C ATOM 0 HA PRO A 131 10.038 -2.389 -18.591 1.00 0.00 H new ATOM 0 HB2 PRO A 131 8.013 -2.023 -20.458 1.00 0.00 H new ATOM 0 HB3 PRO A 131 7.767 -1.595 -18.776 1.00 0.00 H new ATOM 0 HG2 PRO A 131 8.482 0.185 -21.098 1.00 0.00 H new ATOM 0 HG3 PRO A 131 7.332 0.470 -19.807 1.00 0.00 H new ATOM 0 HD2 PRO A 131 9.818 1.580 -19.771 1.00 0.00 H new ATOM 0 HD3 PRO A 131 8.992 1.137 -18.290 1.00 0.00 H new ATOM 1108 N SER A 132 11.508 -1.449 -21.140 1.00 0.00 N ATOM 1109 CA SER A 132 12.241 -1.867 -22.329 1.00 0.00 C ATOM 1110 C SER A 132 13.743 -1.676 -22.136 1.00 0.00 C ATOM 1111 O SER A 132 14.185 -0.679 -21.566 1.00 0.00 O ATOM 1112 CB SER A 132 11.768 -1.076 -23.550 1.00 0.00 C ATOM 1113 OG SER A 132 12.318 -1.604 -24.744 1.00 0.00 O ATOM 0 H SER A 132 11.794 -0.545 -20.765 1.00 0.00 H new ATOM 0 HA SER A 132 12.045 -2.927 -22.493 1.00 0.00 H new ATOM 0 HB2 SER A 132 10.680 -1.102 -23.605 1.00 0.00 H new ATOM 0 HB3 SER A 132 12.057 -0.030 -23.444 1.00 0.00 H new ATOM 0 HG SER A 132 11.999 -1.082 -25.510 1.00 0.00 H new ATOM 1119 N SER A 133 14.521 -2.641 -22.615 1.00 0.00 N ATOM 1120 CA SER A 133 15.973 -2.583 -22.492 1.00 0.00 C ATOM 1121 C SER A 133 16.603 -2.015 -23.761 1.00 0.00 C ATOM 1122 O SER A 133 17.625 -2.509 -24.235 1.00 0.00 O ATOM 1123 CB SER A 133 16.539 -3.976 -22.209 1.00 0.00 C ATOM 1124 OG SER A 133 16.513 -4.264 -20.821 1.00 0.00 O ATOM 0 H SER A 133 14.171 -3.472 -23.092 1.00 0.00 H new ATOM 0 HA SER A 133 16.216 -1.924 -21.659 1.00 0.00 H new ATOM 0 HB2 SER A 133 15.960 -4.724 -22.750 1.00 0.00 H new ATOM 0 HB3 SER A 133 17.563 -4.038 -22.578 1.00 0.00 H new ATOM 0 HG SER A 133 16.878 -5.160 -20.666 1.00 0.00 H new ATOM 1130 N GLY A 134 15.985 -0.971 -24.305 1.00 0.00 N ATOM 1131 CA GLY A 134 16.498 -0.352 -25.513 1.00 0.00 C ATOM 1132 C GLY A 134 16.909 -1.371 -26.557 1.00 0.00 C ATOM 1133 O GLY A 134 17.842 -1.141 -27.325 1.00 0.00 O ATOM 0 H GLY A 134 15.138 -0.543 -23.931 1.00 0.00 H new ATOM 0 HA2 GLY A 134 15.737 0.306 -25.932 1.00 0.00 H new ATOM 0 HA3 GLY A 134 17.355 0.272 -25.262 1.00 0.00 H new TER 1137 GLY A 134 HETATM 1138 ZN ZN A 200 -4.021 1.240 4.636 1.00 0.00 ZN HETATM 1139 ZN ZN A 300 0.358 -6.597 -5.854 1.00 0.00 ZN