USER MOD reduce.3.24.130724 H: found=0, std=0, add=854, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 852 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 26 MET CE :methyl -139:sc= -2.19 (180deg=-4.15!) USER MOD Set 1.2: A 80 CYS SG : rot -112:sc= -0.577 USER MOD Set 1.3: A 88 THR OG1 : rot 77:sc= 0.96 USER MOD Set 2.1: A 62 HIS : no HD1:sc= -0.749 X(o=-1.6,f=-1.2) USER MOD Set 2.2: A 66 ASN : amide:sc= -0.877 X(o=-1.6,f=-1.3!) USER MOD Set 3.1: A 48 THR OG1 : rot 126:sc= 1.11 USER MOD Set 3.2: A 49 THR OG1 : rot 85:sc= 1.25 USER MOD Set 4.1: A 24 LYS NZ :NH3+ -161:sc= -0.0229 (180deg=-0.323) USER MOD Set 4.2: A 28 GLN : amide:sc= 0.00793 X(o=-0.015,f=-0.023) USER MOD Single : A 10 THR OG1 : rot -41:sc= 0.15 USER MOD Single : A 11 SER OG : rot -87:sc= 1.32 USER MOD Single : A 12 SER OG : rot 180:sc= 0.105 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ -165:sc= -0.0369 (180deg=-0.252) USER MOD Single : A 18 SER OG : rot 180:sc= -0.0548 USER MOD Single : A 19 LYS NZ :NH3+ -175:sc= -0.898 (180deg=-0.997) USER MOD Single : A 27 SER OG : rot -84:sc= 0.976 USER MOD Single : A 32 GLN : amide:sc= -0.0239 X(o=-0.024,f=-0.4) USER MOD Single : A 33 CYS SG : rot 70:sc= -0.119 USER MOD Single : A 35 ASN : amide:sc= 2.19 K(o=2.2,f=-5.7!) USER MOD Single : A 37 TYR OH : rot -69:sc= -2.14! USER MOD Single : A 39 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.193) USER MOD Single : A 42 CYS SG : rot -100:sc= -3.47! USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 59 LYS NZ :NH3+ -144:sc= 1.18 (180deg=0.248) USER MOD Single : A 61 THR OG1 : rot 61:sc= -0.782! USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ -169:sc=-0.00145 (180deg=-0.119) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 CYS SG : rot -91:sc= 1.27 USER MOD Single : A 73 LYS NZ :NH3+ -173:sc= 1.16 (180deg=0.962) USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 ASN : amide:sc= -5.31! C(o=-5.3!,f=-17!) USER MOD Single : A 83 ASN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 87 LYS NZ :NH3+ 177:sc= 1.25 (180deg=1.24) USER MOD Single : A 89 LYS NZ :NH3+ -121:sc= -0.159 (180deg=-0.652) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ -156:sc= -0.106 (180deg=-0.761) USER MOD Single : A 95 TYR OH : rot 90:sc= -1.03 USER MOD Single : A 96 MET CE :methyl -159:sc= -0.173 (180deg=-1.18) USER MOD Single : A 97 GLN : amide:sc= 0.301 K(o=0.3,f=-4.3!) USER MOD Single : A 98 LYS NZ :NH3+ 177:sc= -0.0678 (180deg=-0.122) USER MOD Single : A 103 TYR OH : rot 180:sc= -0.262 USER MOD Single : A 104 LYS NZ :NH3+ 173:sc= 1.59 (180deg=1.36) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 10 -4.165 -22.722 5.432 1.00 0.00 N ATOM 2 CA THR A 10 -2.990 -22.294 6.125 1.00 0.00 C ATOM 3 C THR A 10 -2.716 -20.837 5.739 1.00 0.00 C ATOM 4 O THR A 10 -1.766 -20.221 6.172 1.00 0.00 O ATOM 5 CB THR A 10 -1.785 -23.236 5.760 1.00 0.00 C ATOM 6 OG1 THR A 10 -0.616 -22.925 6.527 1.00 0.00 O ATOM 7 CG2 THR A 10 -1.453 -23.164 4.268 1.00 0.00 C ATOM 0 HA THR A 10 -3.127 -22.353 7.205 1.00 0.00 H new ATOM 0 HB THR A 10 -2.099 -24.251 6.004 1.00 0.00 H new ATOM 0 HG1 THR A 10 -0.521 -21.952 6.599 1.00 0.00 H new ATOM 0 HG21 THR A 10 -0.616 -23.827 4.049 1.00 0.00 H new ATOM 0 HG22 THR A 10 -2.322 -23.473 3.687 1.00 0.00 H new ATOM 0 HG23 THR A 10 -1.185 -22.141 4.004 1.00 0.00 H new ATOM 15 N SER A 11 -3.646 -20.272 5.005 1.00 0.00 N ATOM 16 CA SER A 11 -3.539 -18.923 4.469 1.00 0.00 C ATOM 17 C SER A 11 -3.834 -17.891 5.513 1.00 0.00 C ATOM 18 O SER A 11 -3.786 -16.709 5.265 1.00 0.00 O ATOM 19 CB SER A 11 -4.480 -18.778 3.324 1.00 0.00 C ATOM 20 OG SER A 11 -4.255 -19.795 2.349 1.00 0.00 O ATOM 0 H SER A 11 -4.517 -20.741 4.755 1.00 0.00 H new ATOM 0 HA SER A 11 -2.515 -18.764 4.132 1.00 0.00 H new ATOM 0 HB2 SER A 11 -5.508 -18.834 3.683 1.00 0.00 H new ATOM 0 HB3 SER A 11 -4.355 -17.796 2.867 1.00 0.00 H new ATOM 0 HG SER A 11 -3.559 -19.501 1.724 1.00 0.00 H new ATOM 26 N SER A 12 -4.157 -18.333 6.643 1.00 0.00 N ATOM 27 CA SER A 12 -4.348 -17.492 7.721 1.00 0.00 C ATOM 28 C SER A 12 -2.966 -17.109 8.270 1.00 0.00 C ATOM 29 O SER A 12 -2.649 -15.922 8.468 1.00 0.00 O ATOM 30 CB SER A 12 -5.196 -18.265 8.691 1.00 0.00 C ATOM 31 OG SER A 12 -4.730 -19.613 8.768 1.00 0.00 O ATOM 0 H SER A 12 -4.300 -19.322 6.849 1.00 0.00 H new ATOM 0 HA SER A 12 -4.855 -16.557 7.483 1.00 0.00 H new ATOM 0 HB2 SER A 12 -5.156 -17.799 9.676 1.00 0.00 H new ATOM 0 HB3 SER A 12 -6.238 -18.248 8.372 1.00 0.00 H new ATOM 0 HG SER A 12 -5.283 -20.115 9.402 1.00 0.00 H new ATOM 37 N GLU A 13 -2.141 -18.111 8.480 1.00 0.00 N ATOM 38 CA GLU A 13 -0.783 -17.954 8.974 1.00 0.00 C ATOM 39 C GLU A 13 0.207 -17.572 7.854 1.00 0.00 C ATOM 40 O GLU A 13 1.021 -16.682 8.020 1.00 0.00 O ATOM 41 CB GLU A 13 -0.357 -19.232 9.724 1.00 0.00 C ATOM 42 CG GLU A 13 -0.473 -20.521 8.902 1.00 0.00 C ATOM 43 CD GLU A 13 -0.225 -21.761 9.710 1.00 0.00 C ATOM 44 OE1 GLU A 13 0.936 -22.172 9.852 1.00 0.00 O ATOM 45 OE2 GLU A 13 -1.192 -22.356 10.205 1.00 0.00 O ATOM 0 H GLU A 13 -2.398 -19.083 8.309 1.00 0.00 H new ATOM 0 HA GLU A 13 -0.763 -17.120 9.675 1.00 0.00 H new ATOM 0 HB2 GLU A 13 0.676 -19.118 10.053 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -0.968 -19.332 10.621 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -1.469 -20.575 8.461 1.00 0.00 H new ATOM 0 HG3 GLU A 13 0.239 -20.484 8.077 1.00 0.00 H new ATOM 52 N LEU A 14 0.087 -18.237 6.711 1.00 0.00 N ATOM 53 CA LEU A 14 0.954 -18.032 5.544 1.00 0.00 C ATOM 54 C LEU A 14 0.863 -16.592 5.083 1.00 0.00 C ATOM 55 O LEU A 14 1.861 -15.916 4.833 1.00 0.00 O ATOM 56 CB LEU A 14 0.411 -18.950 4.409 1.00 0.00 C ATOM 57 CG LEU A 14 1.347 -19.298 3.229 1.00 0.00 C ATOM 58 CD1 LEU A 14 0.697 -20.358 2.365 1.00 0.00 C ATOM 59 CD2 LEU A 14 1.682 -18.089 2.371 1.00 0.00 C ATOM 0 H LEU A 14 -0.628 -18.949 6.561 1.00 0.00 H new ATOM 0 HA LEU A 14 1.990 -18.262 5.791 1.00 0.00 H new ATOM 0 HB2 LEU A 14 0.091 -19.887 4.865 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.479 -18.476 3.997 1.00 0.00 H new ATOM 0 HG LEU A 14 2.281 -19.665 3.655 1.00 0.00 H new ATOM 0 HD11 LEU A 14 1.357 -20.604 1.533 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.516 -21.253 2.961 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.250 -19.982 1.978 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.342 -18.391 1.558 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.764 -17.671 1.957 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.180 -17.336 2.982 1.00 0.00 H new ATOM 71 N ALA A 15 -0.344 -16.107 5.097 1.00 0.00 N ATOM 72 CA ALA A 15 -0.625 -14.838 4.586 1.00 0.00 C ATOM 73 C ALA A 15 -0.444 -13.796 5.625 1.00 0.00 C ATOM 74 O ALA A 15 -0.517 -12.631 5.338 1.00 0.00 O ATOM 75 CB ALA A 15 -1.952 -14.770 3.965 1.00 0.00 C ATOM 0 H ALA A 15 -1.154 -16.601 5.471 1.00 0.00 H new ATOM 0 HA ALA A 15 0.094 -14.641 3.791 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -2.124 -13.764 3.583 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -2.006 -15.484 3.143 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -2.714 -15.011 4.707 1.00 0.00 H new ATOM 81 N LYS A 16 -0.196 -14.220 6.847 1.00 0.00 N ATOM 82 CA LYS A 16 0.174 -13.304 7.884 1.00 0.00 C ATOM 83 C LYS A 16 1.501 -12.721 7.473 1.00 0.00 C ATOM 84 O LYS A 16 1.665 -11.509 7.438 1.00 0.00 O ATOM 85 CB LYS A 16 0.294 -14.026 9.224 1.00 0.00 C ATOM 86 CG LYS A 16 0.740 -13.156 10.376 1.00 0.00 C ATOM 87 CD LYS A 16 0.847 -13.970 11.639 1.00 0.00 C ATOM 88 CE LYS A 16 1.390 -13.151 12.783 1.00 0.00 C ATOM 89 NZ LYS A 16 1.476 -13.947 14.014 1.00 0.00 N ATOM 0 H LYS A 16 -0.246 -15.196 7.138 1.00 0.00 H new ATOM 0 HA LYS A 16 -0.578 -12.526 8.012 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -0.672 -14.465 9.472 1.00 0.00 H new ATOM 0 HB3 LYS A 16 1.000 -14.850 9.115 1.00 0.00 H new ATOM 0 HG2 LYS A 16 1.704 -12.703 10.145 1.00 0.00 H new ATOM 0 HG3 LYS A 16 0.031 -12.341 10.520 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -0.135 -14.361 11.905 1.00 0.00 H new ATOM 0 HD3 LYS A 16 1.496 -14.829 11.465 1.00 0.00 H new ATOM 0 HE2 LYS A 16 2.378 -12.770 12.524 1.00 0.00 H new ATOM 0 HE3 LYS A 16 0.748 -12.286 12.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 1.853 -13.357 14.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 0.529 -14.290 14.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 2.107 -14.759 13.859 1.00 0.00 H new ATOM 103 N LYS A 17 2.396 -13.606 7.045 1.00 0.00 N ATOM 104 CA LYS A 17 3.700 -13.216 6.544 1.00 0.00 C ATOM 105 C LYS A 17 3.536 -12.415 5.268 1.00 0.00 C ATOM 106 O LYS A 17 4.184 -11.387 5.085 1.00 0.00 O ATOM 107 CB LYS A 17 4.616 -14.434 6.278 1.00 0.00 C ATOM 108 CG LYS A 17 5.162 -15.166 7.514 1.00 0.00 C ATOM 109 CD LYS A 17 4.074 -15.797 8.362 1.00 0.00 C ATOM 110 CE LYS A 17 4.654 -16.572 9.528 1.00 0.00 C ATOM 111 NZ LYS A 17 5.428 -17.746 9.080 1.00 0.00 N ATOM 0 H LYS A 17 2.233 -14.613 7.038 1.00 0.00 H new ATOM 0 HA LYS A 17 4.178 -12.609 7.313 1.00 0.00 H new ATOM 0 HB2 LYS A 17 4.061 -15.152 5.674 1.00 0.00 H new ATOM 0 HB3 LYS A 17 5.463 -14.099 5.678 1.00 0.00 H new ATOM 0 HG2 LYS A 17 5.858 -15.940 7.192 1.00 0.00 H new ATOM 0 HG3 LYS A 17 5.728 -14.463 8.125 1.00 0.00 H new ATOM 0 HD2 LYS A 17 3.407 -15.020 8.736 1.00 0.00 H new ATOM 0 HD3 LYS A 17 3.472 -16.464 7.745 1.00 0.00 H new ATOM 0 HE2 LYS A 17 5.297 -15.916 10.115 1.00 0.00 H new ATOM 0 HE3 LYS A 17 3.847 -16.898 10.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 5.591 -18.383 9.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 4.897 -18.251 8.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 6.343 -17.433 8.696 1.00 0.00 H new ATOM 125 N SER A 18 2.624 -12.857 4.408 1.00 0.00 N ATOM 126 CA SER A 18 2.383 -12.186 3.151 1.00 0.00 C ATOM 127 C SER A 18 1.853 -10.761 3.366 1.00 0.00 C ATOM 128 O SER A 18 2.177 -9.885 2.620 1.00 0.00 O ATOM 129 CB SER A 18 1.452 -13.009 2.273 1.00 0.00 C ATOM 130 OG SER A 18 1.941 -14.345 2.158 1.00 0.00 O ATOM 0 H SER A 18 2.042 -13.680 4.566 1.00 0.00 H new ATOM 0 HA SER A 18 3.336 -12.093 2.629 1.00 0.00 H new ATOM 0 HB2 SER A 18 0.449 -13.016 2.699 1.00 0.00 H new ATOM 0 HB3 SER A 18 1.375 -12.555 1.285 1.00 0.00 H new ATOM 0 HG SER A 18 1.335 -14.868 1.593 1.00 0.00 H new ATOM 136 N LYS A 19 1.091 -10.537 4.435 1.00 0.00 N ATOM 137 CA LYS A 19 0.575 -9.213 4.746 1.00 0.00 C ATOM 138 C LYS A 19 1.683 -8.306 5.187 1.00 0.00 C ATOM 139 O LYS A 19 1.660 -7.129 4.905 1.00 0.00 O ATOM 140 CB LYS A 19 -0.544 -9.252 5.811 1.00 0.00 C ATOM 141 CG LYS A 19 -1.795 -9.996 5.354 1.00 0.00 C ATOM 142 CD LYS A 19 -3.039 -9.648 6.169 1.00 0.00 C ATOM 143 CE LYS A 19 -3.264 -10.556 7.358 1.00 0.00 C ATOM 144 NZ LYS A 19 -2.189 -10.503 8.373 1.00 0.00 N ATOM 0 H LYS A 19 0.819 -11.261 5.100 1.00 0.00 H new ATOM 0 HA LYS A 19 0.134 -8.820 3.830 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -0.159 -9.726 6.714 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -0.816 -8.231 6.078 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -1.982 -9.768 4.305 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -1.615 -11.069 5.420 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -2.956 -8.619 6.520 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -3.912 -9.693 5.519 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -4.209 -10.289 7.831 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -3.364 -11.582 7.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -2.373 -11.212 9.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -1.274 -10.704 7.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -2.163 -9.556 8.802 1.00 0.00 H new ATOM 158 N GLU A 20 2.671 -8.875 5.835 1.00 0.00 N ATOM 159 CA GLU A 20 3.816 -8.118 6.316 1.00 0.00 C ATOM 160 C GLU A 20 4.663 -7.732 5.136 1.00 0.00 C ATOM 161 O GLU A 20 5.021 -6.558 4.962 1.00 0.00 O ATOM 162 CB GLU A 20 4.620 -8.953 7.288 1.00 0.00 C ATOM 163 CG GLU A 20 3.749 -9.563 8.330 1.00 0.00 C ATOM 164 CD GLU A 20 4.488 -10.410 9.337 1.00 0.00 C ATOM 165 OE1 GLU A 20 4.668 -11.614 9.117 1.00 0.00 O ATOM 166 OE2 GLU A 20 4.891 -9.873 10.398 1.00 0.00 O ATOM 0 H GLU A 20 2.710 -9.872 6.046 1.00 0.00 H new ATOM 0 HA GLU A 20 3.478 -7.222 6.836 1.00 0.00 H new ATOM 0 HB2 GLU A 20 5.146 -9.739 6.746 1.00 0.00 H new ATOM 0 HB3 GLU A 20 5.378 -8.331 7.764 1.00 0.00 H new ATOM 0 HG2 GLU A 20 3.222 -8.768 8.858 1.00 0.00 H new ATOM 0 HG3 GLU A 20 2.993 -10.177 7.841 1.00 0.00 H new ATOM 173 N VAL A 21 4.914 -8.714 4.294 1.00 0.00 N ATOM 174 CA VAL A 21 5.681 -8.529 3.090 1.00 0.00 C ATOM 175 C VAL A 21 4.964 -7.540 2.200 1.00 0.00 C ATOM 176 O VAL A 21 5.570 -6.580 1.739 1.00 0.00 O ATOM 177 CB VAL A 21 5.913 -9.872 2.338 1.00 0.00 C ATOM 178 CG1 VAL A 21 6.648 -9.651 1.030 1.00 0.00 C ATOM 179 CG2 VAL A 21 6.697 -10.843 3.208 1.00 0.00 C ATOM 0 H VAL A 21 4.586 -9.670 4.432 1.00 0.00 H new ATOM 0 HA VAL A 21 6.664 -8.143 3.360 1.00 0.00 H new ATOM 0 HB VAL A 21 4.934 -10.298 2.117 1.00 0.00 H new ATOM 0 HG11 VAL A 21 6.795 -10.608 0.529 1.00 0.00 H new ATOM 0 HG12 VAL A 21 6.061 -8.992 0.390 1.00 0.00 H new ATOM 0 HG13 VAL A 21 7.617 -9.194 1.230 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.849 -11.776 2.666 1.00 0.00 H new ATOM 0 HG22 VAL A 21 7.664 -10.407 3.459 1.00 0.00 H new ATOM 0 HG23 VAL A 21 6.140 -11.042 4.124 1.00 0.00 H new ATOM 189 N PHE A 22 3.657 -7.703 2.092 1.00 0.00 N ATOM 190 CA PHE A 22 2.826 -6.848 1.245 1.00 0.00 C ATOM 191 C PHE A 22 2.834 -5.439 1.744 1.00 0.00 C ATOM 192 O PHE A 22 3.162 -4.517 0.992 1.00 0.00 O ATOM 193 CB PHE A 22 1.366 -7.383 1.157 1.00 0.00 C ATOM 194 CG PHE A 22 0.342 -6.319 0.800 1.00 0.00 C ATOM 195 CD1 PHE A 22 0.316 -5.733 -0.453 1.00 0.00 C ATOM 196 CD2 PHE A 22 -0.543 -5.863 1.750 1.00 0.00 C ATOM 197 CE1 PHE A 22 -0.577 -4.717 -0.742 1.00 0.00 C ATOM 198 CE2 PHE A 22 -1.422 -4.852 1.469 1.00 0.00 C ATOM 199 CZ PHE A 22 -1.446 -4.270 0.232 1.00 0.00 C ATOM 0 H PHE A 22 3.137 -8.429 2.586 1.00 0.00 H new ATOM 0 HA PHE A 22 3.252 -6.865 0.242 1.00 0.00 H new ATOM 0 HB2 PHE A 22 1.325 -8.178 0.412 1.00 0.00 H new ATOM 0 HB3 PHE A 22 1.094 -7.829 2.114 1.00 0.00 H new ATOM 0 HD1 PHE A 22 1.002 -6.073 -1.215 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -0.544 -6.310 2.733 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -0.594 -4.275 -1.727 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -2.104 -4.510 2.233 1.00 0.00 H new ATOM 0 HZ PHE A 22 -2.138 -3.469 0.019 1.00 0.00 H new ATOM 209 N ARG A 23 2.503 -5.265 3.020 1.00 0.00 N ATOM 210 CA ARG A 23 2.457 -3.929 3.583 1.00 0.00 C ATOM 211 C ARG A 23 3.817 -3.262 3.469 1.00 0.00 C ATOM 212 O ARG A 23 3.904 -2.067 3.277 1.00 0.00 O ATOM 213 CB ARG A 23 1.905 -3.926 5.033 1.00 0.00 C ATOM 214 CG ARG A 23 2.800 -4.542 6.115 1.00 0.00 C ATOM 215 CD ARG A 23 3.765 -3.536 6.736 1.00 0.00 C ATOM 216 NE ARG A 23 4.583 -4.145 7.802 1.00 0.00 N ATOM 217 CZ ARG A 23 5.035 -3.497 8.893 1.00 0.00 C ATOM 218 NH1 ARG A 23 4.925 -2.177 8.981 1.00 0.00 N ATOM 219 NH2 ARG A 23 5.646 -4.174 9.858 1.00 0.00 N ATOM 0 H ARG A 23 2.268 -6.017 3.668 1.00 0.00 H new ATOM 0 HA ARG A 23 1.752 -3.336 3.001 1.00 0.00 H new ATOM 0 HB2 ARG A 23 1.694 -2.894 5.314 1.00 0.00 H new ATOM 0 HB3 ARG A 23 0.954 -4.458 5.035 1.00 0.00 H new ATOM 0 HG2 ARG A 23 2.173 -4.967 6.899 1.00 0.00 H new ATOM 0 HG3 ARG A 23 3.370 -5.364 5.682 1.00 0.00 H new ATOM 0 HD2 ARG A 23 4.418 -3.134 5.962 1.00 0.00 H new ATOM 0 HD3 ARG A 23 3.202 -2.697 7.145 1.00 0.00 H new ATOM 0 HE ARG A 23 4.825 -5.131 7.706 1.00 0.00 H new ATOM 0 HH11 ARG A 23 4.497 -1.649 8.221 1.00 0.00 H new ATOM 0 HH12 ARG A 23 5.269 -1.691 9.809 1.00 0.00 H new ATOM 0 HH21 ARG A 23 5.772 -5.183 9.772 1.00 0.00 H new ATOM 0 HH22 ARG A 23 5.989 -3.686 10.685 1.00 0.00 H new ATOM 233 N LYS A 24 4.871 -4.056 3.499 1.00 0.00 N ATOM 234 CA LYS A 24 6.191 -3.539 3.419 1.00 0.00 C ATOM 235 C LYS A 24 6.518 -3.062 1.985 1.00 0.00 C ATOM 236 O LYS A 24 7.016 -1.944 1.793 1.00 0.00 O ATOM 237 CB LYS A 24 7.174 -4.586 3.922 1.00 0.00 C ATOM 238 CG LYS A 24 8.606 -4.137 3.985 1.00 0.00 C ATOM 239 CD LYS A 24 9.457 -5.193 4.647 1.00 0.00 C ATOM 240 CE LYS A 24 10.921 -4.887 4.489 1.00 0.00 C ATOM 241 NZ LYS A 24 11.360 -5.041 3.087 1.00 0.00 N ATOM 0 H LYS A 24 4.819 -5.071 3.580 1.00 0.00 H new ATOM 0 HA LYS A 24 6.276 -2.660 4.058 1.00 0.00 H new ATOM 0 HB2 LYS A 24 6.865 -4.903 4.918 1.00 0.00 H new ATOM 0 HB3 LYS A 24 7.112 -5.461 3.275 1.00 0.00 H new ATOM 0 HG2 LYS A 24 8.977 -3.939 2.979 1.00 0.00 H new ATOM 0 HG3 LYS A 24 8.677 -3.202 4.541 1.00 0.00 H new ATOM 0 HD2 LYS A 24 9.207 -5.254 5.706 1.00 0.00 H new ATOM 0 HD3 LYS A 24 9.237 -6.168 4.211 1.00 0.00 H new ATOM 0 HE2 LYS A 24 11.119 -3.868 4.823 1.00 0.00 H new ATOM 0 HE3 LYS A 24 11.503 -5.551 5.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 12.395 -5.143 3.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 10.917 -5.887 2.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 11.078 -4.202 2.541 1.00 0.00 H new ATOM 255 N GLU A 25 6.196 -3.863 0.970 1.00 0.00 N ATOM 256 CA GLU A 25 6.477 -3.439 -0.383 1.00 0.00 C ATOM 257 C GLU A 25 5.541 -2.370 -0.864 1.00 0.00 C ATOM 258 O GLU A 25 5.930 -1.525 -1.663 1.00 0.00 O ATOM 259 CB GLU A 25 6.624 -4.590 -1.380 1.00 0.00 C ATOM 260 CG GLU A 25 5.904 -5.864 -1.070 1.00 0.00 C ATOM 261 CD GLU A 25 6.301 -6.954 -2.047 1.00 0.00 C ATOM 262 OE1 GLU A 25 5.802 -6.954 -3.180 1.00 0.00 O ATOM 263 OE2 GLU A 25 7.173 -7.793 -1.720 1.00 0.00 O ATOM 0 H GLU A 25 5.755 -4.778 1.061 1.00 0.00 H new ATOM 0 HA GLU A 25 7.466 -2.983 -0.333 1.00 0.00 H new ATOM 0 HB2 GLU A 25 6.283 -4.238 -2.354 1.00 0.00 H new ATOM 0 HB3 GLU A 25 7.685 -4.818 -1.478 1.00 0.00 H new ATOM 0 HG2 GLU A 25 6.134 -6.179 -0.052 1.00 0.00 H new ATOM 0 HG3 GLU A 25 4.827 -5.700 -1.118 1.00 0.00 H new ATOM 270 N MET A 26 4.338 -2.373 -0.357 1.00 0.00 N ATOM 271 CA MET A 26 3.370 -1.354 -0.699 1.00 0.00 C ATOM 272 C MET A 26 3.739 -0.034 -0.046 1.00 0.00 C ATOM 273 O MET A 26 3.633 0.986 -0.667 1.00 0.00 O ATOM 274 CB MET A 26 2.000 -1.776 -0.273 1.00 0.00 C ATOM 275 CG MET A 26 0.883 -0.775 -0.577 1.00 0.00 C ATOM 276 SD MET A 26 -0.169 -1.168 -2.003 1.00 0.00 S ATOM 277 CE MET A 26 0.923 -1.133 -3.431 1.00 0.00 C ATOM 0 H MET A 26 3.998 -3.075 0.301 1.00 0.00 H new ATOM 0 HA MET A 26 3.374 -1.221 -1.781 1.00 0.00 H new ATOM 0 HB2 MET A 26 1.761 -2.721 -0.760 1.00 0.00 H new ATOM 0 HB3 MET A 26 2.013 -1.965 0.800 1.00 0.00 H new ATOM 0 HG2 MET A 26 0.249 -0.689 0.305 1.00 0.00 H new ATOM 0 HG3 MET A 26 1.334 0.204 -0.742 1.00 0.00 H new ATOM 0 HE1 MET A 26 0.416 -0.648 -4.265 1.00 0.00 H new ATOM 0 HE2 MET A 26 1.827 -0.577 -3.184 1.00 0.00 H new ATOM 0 HE3 MET A 26 1.189 -2.152 -3.711 1.00 0.00 H new ATOM 287 N SER A 27 4.192 -0.079 1.198 1.00 0.00 N ATOM 288 CA SER A 27 4.594 1.110 1.886 1.00 0.00 C ATOM 289 C SER A 27 5.746 1.717 1.214 1.00 0.00 C ATOM 290 O SER A 27 5.771 2.897 1.017 1.00 0.00 O ATOM 291 CB SER A 27 4.896 0.883 3.359 1.00 0.00 C ATOM 292 OG SER A 27 5.740 -0.219 3.562 1.00 0.00 O ATOM 0 H SER A 27 4.286 -0.936 1.742 1.00 0.00 H new ATOM 0 HA SER A 27 3.745 1.792 1.851 1.00 0.00 H new ATOM 0 HB2 SER A 27 5.361 1.777 3.775 1.00 0.00 H new ATOM 0 HB3 SER A 27 3.963 0.728 3.900 1.00 0.00 H new ATOM 0 HG SER A 27 5.207 -1.041 3.573 1.00 0.00 H new ATOM 298 N GLN A 28 6.678 0.892 0.810 1.00 0.00 N ATOM 299 CA GLN A 28 7.869 1.401 0.110 1.00 0.00 C ATOM 300 C GLN A 28 7.479 1.988 -1.238 1.00 0.00 C ATOM 301 O GLN A 28 7.962 3.054 -1.640 1.00 0.00 O ATOM 302 CB GLN A 28 8.923 0.328 -0.065 1.00 0.00 C ATOM 303 CG GLN A 28 9.534 -0.163 1.226 1.00 0.00 C ATOM 304 CD GLN A 28 10.562 -1.225 0.973 1.00 0.00 C ATOM 305 OE1 GLN A 28 11.743 -0.931 0.786 1.00 0.00 O ATOM 306 NE2 GLN A 28 10.134 -2.459 0.943 1.00 0.00 N ATOM 0 H GLN A 28 6.654 -0.119 0.942 1.00 0.00 H new ATOM 0 HA GLN A 28 8.303 2.187 0.729 1.00 0.00 H new ATOM 0 HB2 GLN A 28 8.478 -0.519 -0.588 1.00 0.00 H new ATOM 0 HB3 GLN A 28 9.716 0.716 -0.704 1.00 0.00 H new ATOM 0 HG2 GLN A 28 9.994 0.672 1.754 1.00 0.00 H new ATOM 0 HG3 GLN A 28 8.752 -0.558 1.874 1.00 0.00 H new ATOM 0 HE21 GLN A 28 9.147 -2.661 1.103 1.00 0.00 H new ATOM 0 HE22 GLN A 28 10.787 -3.221 0.759 1.00 0.00 H new ATOM 315 N PHE A 29 6.596 1.294 -1.912 1.00 0.00 N ATOM 316 CA PHE A 29 6.044 1.724 -3.173 1.00 0.00 C ATOM 317 C PHE A 29 5.336 3.076 -3.011 1.00 0.00 C ATOM 318 O PHE A 29 5.548 3.999 -3.791 1.00 0.00 O ATOM 319 CB PHE A 29 5.077 0.653 -3.651 1.00 0.00 C ATOM 320 CG PHE A 29 4.367 0.947 -4.908 1.00 0.00 C ATOM 321 CD1 PHE A 29 4.977 0.734 -6.124 1.00 0.00 C ATOM 322 CD2 PHE A 29 3.066 1.405 -4.878 1.00 0.00 C ATOM 323 CE1 PHE A 29 4.299 0.975 -7.282 1.00 0.00 C ATOM 324 CE2 PHE A 29 2.397 1.650 -6.028 1.00 0.00 C ATOM 325 CZ PHE A 29 3.004 1.436 -7.221 1.00 0.00 C ATOM 0 H PHE A 29 6.233 0.396 -1.593 1.00 0.00 H new ATOM 0 HA PHE A 29 6.836 1.859 -3.910 1.00 0.00 H new ATOM 0 HB2 PHE A 29 5.629 -0.279 -3.776 1.00 0.00 H new ATOM 0 HB3 PHE A 29 4.337 0.482 -2.869 1.00 0.00 H new ATOM 0 HD1 PHE A 29 5.995 0.375 -6.160 1.00 0.00 H new ATOM 0 HD2 PHE A 29 2.578 1.569 -3.929 1.00 0.00 H new ATOM 0 HE1 PHE A 29 4.773 0.806 -8.237 1.00 0.00 H new ATOM 0 HE2 PHE A 29 1.381 2.015 -5.996 1.00 0.00 H new ATOM 0 HZ PHE A 29 2.464 1.630 -8.136 1.00 0.00 H new ATOM 335 N ILE A 30 4.514 3.172 -1.997 1.00 0.00 N ATOM 336 CA ILE A 30 3.788 4.379 -1.680 1.00 0.00 C ATOM 337 C ILE A 30 4.727 5.483 -1.274 1.00 0.00 C ATOM 338 O ILE A 30 4.542 6.617 -1.676 1.00 0.00 O ATOM 339 CB ILE A 30 2.713 4.121 -0.612 1.00 0.00 C ATOM 340 CG1 ILE A 30 1.612 3.266 -1.246 1.00 0.00 C ATOM 341 CG2 ILE A 30 2.159 5.436 -0.054 1.00 0.00 C ATOM 342 CD1 ILE A 30 0.587 2.761 -0.288 1.00 0.00 C ATOM 0 H ILE A 30 4.326 2.401 -1.356 1.00 0.00 H new ATOM 0 HA ILE A 30 3.271 4.706 -2.582 1.00 0.00 H new ATOM 0 HB ILE A 30 3.147 3.589 0.235 1.00 0.00 H new ATOM 0 HG12 ILE A 30 1.112 3.854 -2.016 1.00 0.00 H new ATOM 0 HG13 ILE A 30 2.074 2.414 -1.745 1.00 0.00 H new ATOM 0 HG21 ILE A 30 1.401 5.221 0.699 1.00 0.00 H new ATOM 0 HG22 ILE A 30 2.968 6.009 0.399 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.713 6.015 -0.863 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -0.152 2.166 -0.825 1.00 0.00 H new ATOM 0 HD12 ILE A 30 1.070 2.143 0.469 1.00 0.00 H new ATOM 0 HD13 ILE A 30 0.093 3.604 0.194 1.00 0.00 H new ATOM 354 N VAL A 31 5.730 5.151 -0.484 1.00 0.00 N ATOM 355 CA VAL A 31 6.795 6.096 -0.159 1.00 0.00 C ATOM 356 C VAL A 31 7.373 6.698 -1.447 1.00 0.00 C ATOM 357 O VAL A 31 7.463 7.920 -1.581 1.00 0.00 O ATOM 358 CB VAL A 31 7.914 5.410 0.699 1.00 0.00 C ATOM 359 CG1 VAL A 31 9.183 6.244 0.764 1.00 0.00 C ATOM 360 CG2 VAL A 31 7.404 5.180 2.114 1.00 0.00 C ATOM 0 H VAL A 31 5.835 4.233 -0.052 1.00 0.00 H new ATOM 0 HA VAL A 31 6.374 6.903 0.441 1.00 0.00 H new ATOM 0 HB VAL A 31 8.156 4.463 0.216 1.00 0.00 H new ATOM 0 HG11 VAL A 31 9.928 5.727 1.369 1.00 0.00 H new ATOM 0 HG12 VAL A 31 9.573 6.392 -0.243 1.00 0.00 H new ATOM 0 HG13 VAL A 31 8.960 7.212 1.213 1.00 0.00 H new ATOM 0 HG21 VAL A 31 8.183 4.703 2.709 1.00 0.00 H new ATOM 0 HG22 VAL A 31 7.138 6.136 2.565 1.00 0.00 H new ATOM 0 HG23 VAL A 31 6.525 4.536 2.084 1.00 0.00 H new ATOM 370 N GLN A 32 7.680 5.846 -2.412 1.00 0.00 N ATOM 371 CA GLN A 32 8.211 6.256 -3.697 1.00 0.00 C ATOM 372 C GLN A 32 7.211 7.147 -4.432 1.00 0.00 C ATOM 373 O GLN A 32 7.574 8.121 -5.084 1.00 0.00 O ATOM 374 CB GLN A 32 8.491 5.004 -4.511 1.00 0.00 C ATOM 375 CG GLN A 32 9.087 5.236 -5.874 1.00 0.00 C ATOM 376 CD GLN A 32 10.423 5.960 -5.844 1.00 0.00 C ATOM 377 OE1 GLN A 32 11.197 5.857 -4.877 1.00 0.00 O ATOM 378 NE2 GLN A 32 10.718 6.678 -6.888 1.00 0.00 N ATOM 0 H GLN A 32 7.565 4.837 -2.321 1.00 0.00 H new ATOM 0 HA GLN A 32 9.127 6.829 -3.554 1.00 0.00 H new ATOM 0 HB2 GLN A 32 9.167 4.366 -3.942 1.00 0.00 H new ATOM 0 HB3 GLN A 32 7.558 4.453 -4.631 1.00 0.00 H new ATOM 0 HG2 GLN A 32 9.216 4.275 -6.372 1.00 0.00 H new ATOM 0 HG3 GLN A 32 8.384 5.814 -6.474 1.00 0.00 H new ATOM 0 HE21 GLN A 32 10.061 6.742 -7.665 1.00 0.00 H new ATOM 0 HE22 GLN A 32 11.607 7.177 -6.929 1.00 0.00 H new ATOM 387 N CYS A 33 5.962 6.793 -4.311 1.00 0.00 N ATOM 388 CA CYS A 33 4.876 7.524 -4.912 1.00 0.00 C ATOM 389 C CYS A 33 4.682 8.891 -4.270 1.00 0.00 C ATOM 390 O CYS A 33 4.386 9.843 -4.944 1.00 0.00 O ATOM 391 CB CYS A 33 3.605 6.708 -4.820 1.00 0.00 C ATOM 392 SG CYS A 33 3.670 5.158 -5.740 1.00 0.00 S ATOM 0 H CYS A 33 5.662 5.974 -3.783 1.00 0.00 H new ATOM 0 HA CYS A 33 5.124 7.697 -5.959 1.00 0.00 H new ATOM 0 HB2 CYS A 33 3.399 6.490 -3.772 1.00 0.00 H new ATOM 0 HB3 CYS A 33 2.772 7.306 -5.191 1.00 0.00 H new ATOM 0 HG CYS A 33 4.485 4.336 -5.148 1.00 0.00 H new ATOM 398 N LEU A 34 4.864 8.963 -2.976 1.00 0.00 N ATOM 399 CA LEU A 34 4.726 10.210 -2.238 1.00 0.00 C ATOM 400 C LEU A 34 5.968 11.085 -2.325 1.00 0.00 C ATOM 401 O LEU A 34 5.904 12.284 -2.042 1.00 0.00 O ATOM 402 CB LEU A 34 4.350 9.971 -0.786 1.00 0.00 C ATOM 403 CG LEU A 34 2.973 9.380 -0.525 1.00 0.00 C ATOM 404 CD1 LEU A 34 2.762 9.248 0.960 1.00 0.00 C ATOM 405 CD2 LEU A 34 1.877 10.243 -1.138 1.00 0.00 C ATOM 0 H LEU A 34 5.113 8.162 -2.396 1.00 0.00 H new ATOM 0 HA LEU A 34 3.911 10.750 -2.720 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.094 9.307 -0.347 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.419 10.921 -0.256 1.00 0.00 H new ATOM 0 HG LEU A 34 2.921 8.397 -0.993 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.776 8.825 1.151 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.526 8.593 1.379 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.831 10.231 1.426 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.904 9.795 -0.935 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.914 11.242 -0.703 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.027 10.311 -2.215 1.00 0.00 H new ATOM 417 N ASN A 35 7.109 10.476 -2.645 1.00 0.00 N ATOM 418 CA ASN A 35 8.359 11.200 -2.910 1.00 0.00 C ATOM 419 C ASN A 35 8.235 12.531 -3.662 1.00 0.00 C ATOM 420 O ASN A 35 8.760 13.532 -3.187 1.00 0.00 O ATOM 421 CB ASN A 35 9.365 10.318 -3.579 1.00 0.00 C ATOM 422 CG ASN A 35 10.303 9.918 -2.558 1.00 0.00 C ATOM 423 OD1 ASN A 35 11.381 10.498 -2.415 1.00 0.00 O ATOM 424 ND2 ASN A 35 9.872 9.049 -1.752 1.00 0.00 N ATOM 0 H ASN A 35 7.196 9.463 -2.729 1.00 0.00 H new ATOM 0 HA ASN A 35 8.700 11.483 -1.914 1.00 0.00 H new ATOM 0 HB2 ASN A 35 8.883 9.448 -4.025 1.00 0.00 H new ATOM 0 HB3 ASN A 35 9.872 10.849 -4.385 1.00 0.00 H new ATOM 0 HD21 ASN A 35 10.424 8.795 -0.933 1.00 0.00 H new ATOM 0 HD22 ASN A 35 8.972 8.600 -1.920 1.00 0.00 H new ATOM 431 N PRO A 36 7.547 12.592 -4.838 1.00 0.00 N ATOM 432 CA PRO A 36 7.387 13.853 -5.582 1.00 0.00 C ATOM 433 C PRO A 36 6.489 14.863 -4.859 1.00 0.00 C ATOM 434 O PRO A 36 6.579 16.067 -5.087 1.00 0.00 O ATOM 435 CB PRO A 36 6.739 13.419 -6.907 1.00 0.00 C ATOM 436 CG PRO A 36 6.072 12.125 -6.600 1.00 0.00 C ATOM 437 CD PRO A 36 6.921 11.458 -5.566 1.00 0.00 C ATOM 0 HA PRO A 36 8.343 14.363 -5.704 1.00 0.00 H new ATOM 0 HB2 PRO A 36 6.021 14.160 -7.257 1.00 0.00 H new ATOM 0 HB3 PRO A 36 7.486 13.302 -7.693 1.00 0.00 H new ATOM 0 HG2 PRO A 36 5.060 12.286 -6.229 1.00 0.00 H new ATOM 0 HG3 PRO A 36 5.989 11.507 -7.494 1.00 0.00 H new ATOM 0 HD2 PRO A 36 6.325 10.835 -4.900 1.00 0.00 H new ATOM 0 HD3 PRO A 36 7.671 10.811 -6.021 1.00 0.00 H new ATOM 445 N TYR A 37 5.690 14.376 -3.940 1.00 0.00 N ATOM 446 CA TYR A 37 4.718 15.206 -3.268 1.00 0.00 C ATOM 447 C TYR A 37 5.327 15.973 -2.146 1.00 0.00 C ATOM 448 O TYR A 37 4.862 17.028 -1.791 1.00 0.00 O ATOM 449 CB TYR A 37 3.542 14.382 -2.769 1.00 0.00 C ATOM 450 CG TYR A 37 2.716 13.809 -3.873 1.00 0.00 C ATOM 451 CD1 TYR A 37 3.019 12.588 -4.432 1.00 0.00 C ATOM 452 CD2 TYR A 37 1.633 14.495 -4.357 1.00 0.00 C ATOM 453 CE1 TYR A 37 2.269 12.061 -5.451 1.00 0.00 C ATOM 454 CE2 TYR A 37 0.868 13.992 -5.371 1.00 0.00 C ATOM 455 CZ TYR A 37 1.185 12.775 -5.920 1.00 0.00 C ATOM 456 OH TYR A 37 0.426 12.281 -6.938 1.00 0.00 O ATOM 0 H TYR A 37 5.694 13.402 -3.638 1.00 0.00 H new ATOM 0 HA TYR A 37 4.351 15.923 -4.002 1.00 0.00 H new ATOM 0 HB2 TYR A 37 3.914 13.571 -2.144 1.00 0.00 H new ATOM 0 HB3 TYR A 37 2.910 15.007 -2.138 1.00 0.00 H new ATOM 0 HD1 TYR A 37 3.867 12.033 -4.059 1.00 0.00 H new ATOM 0 HD2 TYR A 37 1.379 15.453 -3.928 1.00 0.00 H new ATOM 0 HE1 TYR A 37 2.522 11.103 -5.880 1.00 0.00 H new ATOM 0 HE2 TYR A 37 0.019 14.549 -5.738 1.00 0.00 H new ATOM 0 HH TYR A 37 0.946 12.292 -7.769 1.00 0.00 H new ATOM 466 N ARG A 38 6.387 15.463 -1.596 1.00 0.00 N ATOM 467 CA ARG A 38 7.016 16.131 -0.463 1.00 0.00 C ATOM 468 C ARG A 38 7.994 17.189 -0.922 1.00 0.00 C ATOM 469 O ARG A 38 8.593 17.901 -0.112 1.00 0.00 O ATOM 470 CB ARG A 38 7.703 15.137 0.445 1.00 0.00 C ATOM 471 CG ARG A 38 8.796 14.354 -0.231 1.00 0.00 C ATOM 472 CD ARG A 38 9.456 13.427 0.754 1.00 0.00 C ATOM 473 NE ARG A 38 10.450 12.536 0.145 1.00 0.00 N ATOM 474 CZ ARG A 38 11.235 11.690 0.840 1.00 0.00 C ATOM 475 NH1 ARG A 38 11.245 11.716 2.173 1.00 0.00 N ATOM 476 NH2 ARG A 38 12.020 10.837 0.199 1.00 0.00 N ATOM 0 H ARG A 38 6.840 14.600 -1.897 1.00 0.00 H new ATOM 0 HA ARG A 38 6.225 16.622 0.104 1.00 0.00 H new ATOM 0 HB2 ARG A 38 8.124 15.669 1.298 1.00 0.00 H new ATOM 0 HB3 ARG A 38 6.960 14.442 0.837 1.00 0.00 H new ATOM 0 HG2 ARG A 38 8.383 13.781 -1.061 1.00 0.00 H new ATOM 0 HG3 ARG A 38 9.535 15.036 -0.652 1.00 0.00 H new ATOM 0 HD2 ARG A 38 9.939 14.020 1.531 1.00 0.00 H new ATOM 0 HD3 ARG A 38 8.690 12.824 1.242 1.00 0.00 H new ATOM 0 HE ARG A 38 10.553 12.559 -0.870 1.00 0.00 H new ATOM 0 HH11 ARG A 38 10.655 12.380 2.675 1.00 0.00 H new ATOM 0 HH12 ARG A 38 11.842 11.072 2.691 1.00 0.00 H new ATOM 0 HH21 ARG A 38 12.030 10.821 -0.821 1.00 0.00 H new ATOM 0 HH22 ARG A 38 12.614 10.197 0.725 1.00 0.00 H new ATOM 490 N LYS A 39 8.149 17.297 -2.199 1.00 0.00 N ATOM 491 CA LYS A 39 9.038 18.271 -2.778 1.00 0.00 C ATOM 492 C LYS A 39 8.347 19.621 -2.824 1.00 0.00 C ATOM 493 O LYS A 39 7.147 19.686 -3.030 1.00 0.00 O ATOM 494 CB LYS A 39 9.426 17.872 -4.202 1.00 0.00 C ATOM 495 CG LYS A 39 10.005 16.488 -4.327 1.00 0.00 C ATOM 496 CD LYS A 39 11.118 16.264 -3.334 1.00 0.00 C ATOM 497 CE LYS A 39 11.697 14.881 -3.481 1.00 0.00 C ATOM 498 NZ LYS A 39 12.416 14.721 -4.759 1.00 0.00 N ATOM 0 H LYS A 39 7.664 16.714 -2.881 1.00 0.00 H new ATOM 0 HA LYS A 39 9.937 18.323 -2.164 1.00 0.00 H new ATOM 0 HB2 LYS A 39 8.544 17.942 -4.838 1.00 0.00 H new ATOM 0 HB3 LYS A 39 10.151 18.591 -4.582 1.00 0.00 H new ATOM 0 HG2 LYS A 39 9.220 15.748 -4.169 1.00 0.00 H new ATOM 0 HG3 LYS A 39 10.383 16.340 -5.339 1.00 0.00 H new ATOM 0 HD2 LYS A 39 11.900 17.008 -3.484 1.00 0.00 H new ATOM 0 HD3 LYS A 39 10.740 16.399 -2.321 1.00 0.00 H new ATOM 0 HE2 LYS A 39 12.378 14.682 -2.653 1.00 0.00 H new ATOM 0 HE3 LYS A 39 10.897 14.144 -3.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 12.994 13.857 -4.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 11.729 14.649 -5.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 13.032 15.544 -4.916 1.00 0.00 H new ATOM 512 N PRO A 40 9.093 20.724 -2.652 1.00 0.00 N ATOM 513 CA PRO A 40 8.547 22.091 -2.749 1.00 0.00 C ATOM 514 C PRO A 40 8.098 22.438 -4.170 1.00 0.00 C ATOM 515 O PRO A 40 7.542 23.502 -4.419 1.00 0.00 O ATOM 516 CB PRO A 40 9.713 22.983 -2.325 1.00 0.00 C ATOM 517 CG PRO A 40 10.933 22.160 -2.540 1.00 0.00 C ATOM 518 CD PRO A 40 10.524 20.733 -2.314 1.00 0.00 C ATOM 0 HA PRO A 40 7.659 22.214 -2.130 1.00 0.00 H new ATOM 0 HB2 PRO A 40 9.745 23.897 -2.918 1.00 0.00 H new ATOM 0 HB3 PRO A 40 9.620 23.283 -1.281 1.00 0.00 H new ATOM 0 HG2 PRO A 40 11.322 22.298 -3.549 1.00 0.00 H new ATOM 0 HG3 PRO A 40 11.725 22.451 -1.850 1.00 0.00 H new ATOM 0 HD2 PRO A 40 11.089 20.049 -2.947 1.00 0.00 H new ATOM 0 HD3 PRO A 40 10.694 20.426 -1.282 1.00 0.00 H new ATOM 526 N ASP A 41 8.302 21.506 -5.074 1.00 0.00 N ATOM 527 CA ASP A 41 7.959 21.652 -6.474 1.00 0.00 C ATOM 528 C ASP A 41 6.593 21.017 -6.728 1.00 0.00 C ATOM 529 O ASP A 41 6.009 21.153 -7.800 1.00 0.00 O ATOM 530 CB ASP A 41 9.035 20.962 -7.327 1.00 0.00 C ATOM 531 CG ASP A 41 8.811 21.071 -8.824 1.00 0.00 C ATOM 532 OD1 ASP A 41 9.207 22.087 -9.423 1.00 0.00 O ATOM 533 OD2 ASP A 41 8.275 20.108 -9.436 1.00 0.00 O ATOM 0 H ASP A 41 8.721 20.603 -4.852 1.00 0.00 H new ATOM 0 HA ASP A 41 7.912 22.708 -6.742 1.00 0.00 H new ATOM 0 HB2 ASP A 41 10.006 21.394 -7.085 1.00 0.00 H new ATOM 0 HB3 ASP A 41 9.078 19.908 -7.054 1.00 0.00 H new ATOM 538 N CYS A 42 6.084 20.351 -5.717 1.00 0.00 N ATOM 539 CA CYS A 42 4.823 19.672 -5.828 1.00 0.00 C ATOM 540 C CYS A 42 3.704 20.691 -5.979 1.00 0.00 C ATOM 541 O CYS A 42 3.633 21.686 -5.238 1.00 0.00 O ATOM 542 CB CYS A 42 4.570 18.768 -4.634 1.00 0.00 C ATOM 543 SG CYS A 42 3.089 17.759 -4.792 1.00 0.00 S ATOM 0 H CYS A 42 6.531 20.268 -4.804 1.00 0.00 H new ATOM 0 HA CYS A 42 4.851 19.037 -6.714 1.00 0.00 H new ATOM 0 HB2 CYS A 42 5.431 18.114 -4.495 1.00 0.00 H new ATOM 0 HB3 CYS A 42 4.487 19.381 -3.736 1.00 0.00 H new ATOM 0 HG CYS A 42 2.121 18.301 -4.115 1.00 0.00 H new ATOM 549 N LYS A 43 2.877 20.479 -6.959 1.00 0.00 N ATOM 550 CA LYS A 43 1.806 21.382 -7.257 1.00 0.00 C ATOM 551 C LYS A 43 0.528 20.958 -6.552 1.00 0.00 C ATOM 552 O LYS A 43 -0.268 21.801 -6.120 1.00 0.00 O ATOM 553 CB LYS A 43 1.611 21.435 -8.769 1.00 0.00 C ATOM 554 CG LYS A 43 0.528 22.365 -9.264 1.00 0.00 C ATOM 555 CD LYS A 43 0.487 22.324 -10.768 1.00 0.00 C ATOM 556 CE LYS A 43 -0.598 23.202 -11.342 1.00 0.00 C ATOM 557 NZ LYS A 43 -0.559 23.186 -12.812 1.00 0.00 N ATOM 0 H LYS A 43 2.927 19.670 -7.578 1.00 0.00 H new ATOM 0 HA LYS A 43 2.058 22.378 -6.893 1.00 0.00 H new ATOM 0 HB2 LYS A 43 2.555 21.732 -9.227 1.00 0.00 H new ATOM 0 HB3 LYS A 43 1.388 20.428 -9.122 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -0.437 22.068 -8.854 1.00 0.00 H new ATOM 0 HG3 LYS A 43 0.721 23.382 -8.921 1.00 0.00 H new ATOM 0 HD2 LYS A 43 1.452 22.640 -11.163 1.00 0.00 H new ATOM 0 HD3 LYS A 43 0.330 21.296 -11.096 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.572 22.857 -10.996 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -0.475 24.223 -10.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -1.314 23.796 -13.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 0.364 23.537 -13.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -0.700 22.213 -13.152 1.00 0.00 H new ATOM 571 N VAL A 44 0.358 19.674 -6.377 1.00 0.00 N ATOM 572 CA VAL A 44 -0.864 19.156 -5.816 1.00 0.00 C ATOM 573 C VAL A 44 -0.575 18.124 -4.733 1.00 0.00 C ATOM 574 O VAL A 44 0.101 17.137 -4.970 1.00 0.00 O ATOM 575 CB VAL A 44 -1.797 18.587 -6.933 1.00 0.00 C ATOM 576 CG1 VAL A 44 -1.121 17.488 -7.737 1.00 0.00 C ATOM 577 CG2 VAL A 44 -3.127 18.116 -6.369 1.00 0.00 C ATOM 0 H VAL A 44 1.052 18.965 -6.615 1.00 0.00 H new ATOM 0 HA VAL A 44 -1.396 19.980 -5.341 1.00 0.00 H new ATOM 0 HB VAL A 44 -2.002 19.410 -7.618 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.806 17.122 -8.502 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -0.224 17.885 -8.213 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.847 16.668 -7.073 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.748 17.727 -7.177 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.953 17.330 -5.635 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.636 18.953 -5.891 1.00 0.00 H new ATOM 587 N GLY A 45 -1.077 18.381 -3.550 1.00 0.00 N ATOM 588 CA GLY A 45 -0.858 17.502 -2.429 1.00 0.00 C ATOM 589 C GLY A 45 0.580 17.547 -1.945 1.00 0.00 C ATOM 590 O GLY A 45 1.193 16.506 -1.736 1.00 0.00 O ATOM 0 H GLY A 45 -1.646 19.201 -3.338 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -1.524 17.782 -1.613 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -1.113 16.481 -2.713 1.00 0.00 H new ATOM 594 N ARG A 46 1.146 18.741 -1.783 1.00 0.00 N ATOM 595 CA ARG A 46 2.500 18.843 -1.306 1.00 0.00 C ATOM 596 C ARG A 46 2.589 18.490 0.164 1.00 0.00 C ATOM 597 O ARG A 46 1.937 19.106 1.006 1.00 0.00 O ATOM 598 CB ARG A 46 3.100 20.223 -1.536 1.00 0.00 C ATOM 599 CG ARG A 46 4.548 20.270 -1.088 1.00 0.00 C ATOM 600 CD ARG A 46 5.242 21.555 -1.427 1.00 0.00 C ATOM 601 NE ARG A 46 4.725 22.709 -0.716 1.00 0.00 N ATOM 602 CZ ARG A 46 5.456 23.500 0.083 1.00 0.00 C ATOM 603 NH1 ARG A 46 6.674 23.115 0.481 1.00 0.00 N ATOM 604 NH2 ARG A 46 4.950 24.632 0.533 1.00 0.00 N ATOM 0 H ARG A 46 0.687 19.631 -1.975 1.00 0.00 H new ATOM 0 HA ARG A 46 3.080 18.126 -1.887 1.00 0.00 H new ATOM 0 HB2 ARG A 46 3.035 20.480 -2.593 1.00 0.00 H new ATOM 0 HB3 ARG A 46 2.523 20.970 -0.990 1.00 0.00 H new ATOM 0 HG2 ARG A 46 4.591 20.118 -0.010 1.00 0.00 H new ATOM 0 HG3 ARG A 46 5.089 19.443 -1.548 1.00 0.00 H new ATOM 0 HD2 ARG A 46 6.305 21.451 -1.207 1.00 0.00 H new ATOM 0 HD3 ARG A 46 5.154 21.732 -2.499 1.00 0.00 H new ATOM 0 HE ARG A 46 3.737 22.934 -0.832 1.00 0.00 H new ATOM 0 HH11 ARG A 46 7.050 22.217 0.177 1.00 0.00 H new ATOM 0 HH12 ARG A 46 7.227 23.720 1.089 1.00 0.00 H new ATOM 0 HH21 ARG A 46 4.002 24.906 0.273 1.00 0.00 H new ATOM 0 HH22 ARG A 46 5.506 25.233 1.141 1.00 0.00 H new ATOM 618 N ILE A 47 3.391 17.513 0.458 1.00 0.00 N ATOM 619 CA ILE A 47 3.600 17.067 1.803 1.00 0.00 C ATOM 620 C ILE A 47 4.465 18.058 2.568 1.00 0.00 C ATOM 621 O ILE A 47 5.586 18.393 2.163 1.00 0.00 O ATOM 622 CB ILE A 47 4.195 15.637 1.857 1.00 0.00 C ATOM 623 CG1 ILE A 47 3.285 14.679 1.069 1.00 0.00 C ATOM 624 CG2 ILE A 47 4.362 15.188 3.293 1.00 0.00 C ATOM 625 CD1 ILE A 47 3.791 13.264 0.967 1.00 0.00 C ATOM 0 H ILE A 47 3.927 16.995 -0.239 1.00 0.00 H new ATOM 0 HA ILE A 47 2.625 17.019 2.288 1.00 0.00 H new ATOM 0 HB ILE A 47 5.184 15.633 1.398 1.00 0.00 H new ATOM 0 HG12 ILE A 47 2.302 14.665 1.540 1.00 0.00 H new ATOM 0 HG13 ILE A 47 3.150 15.075 0.062 1.00 0.00 H new ATOM 0 HG21 ILE A 47 4.781 14.182 3.313 1.00 0.00 H new ATOM 0 HG22 ILE A 47 5.034 15.871 3.812 1.00 0.00 H new ATOM 0 HG23 ILE A 47 3.391 15.187 3.789 1.00 0.00 H new ATOM 0 HD11 ILE A 47 3.083 12.665 0.394 1.00 0.00 H new ATOM 0 HD12 ILE A 47 4.759 13.259 0.466 1.00 0.00 H new ATOM 0 HD13 ILE A 47 3.898 12.843 1.967 1.00 0.00 H new ATOM 637 N THR A 48 3.897 18.547 3.621 1.00 0.00 N ATOM 638 CA THR A 48 4.476 19.508 4.517 1.00 0.00 C ATOM 639 C THR A 48 5.732 19.019 5.217 1.00 0.00 C ATOM 640 O THR A 48 6.813 19.628 5.109 1.00 0.00 O ATOM 641 CB THR A 48 3.428 19.798 5.577 1.00 0.00 C ATOM 642 OG1 THR A 48 2.777 18.552 5.891 1.00 0.00 O ATOM 643 CG2 THR A 48 2.411 20.725 5.050 1.00 0.00 C ATOM 0 H THR A 48 2.956 18.272 3.901 1.00 0.00 H new ATOM 0 HA THR A 48 4.767 20.381 3.933 1.00 0.00 H new ATOM 0 HB THR A 48 3.900 20.244 6.452 1.00 0.00 H new ATOM 0 HG1 THR A 48 2.823 18.393 6.857 1.00 0.00 H new ATOM 0 HG21 THR A 48 1.666 20.924 5.820 1.00 0.00 H new ATOM 0 HG22 THR A 48 2.888 21.660 4.756 1.00 0.00 H new ATOM 0 HG23 THR A 48 1.925 20.278 4.183 1.00 0.00 H new ATOM 651 N THR A 49 5.597 17.930 5.905 1.00 0.00 N ATOM 652 CA THR A 49 6.635 17.477 6.778 1.00 0.00 C ATOM 653 C THR A 49 6.955 16.025 6.500 1.00 0.00 C ATOM 654 O THR A 49 6.138 15.301 5.952 1.00 0.00 O ATOM 655 CB THR A 49 6.149 17.588 8.246 1.00 0.00 C ATOM 656 OG1 THR A 49 5.311 18.737 8.391 1.00 0.00 O ATOM 657 CG2 THR A 49 7.317 17.717 9.209 1.00 0.00 C ATOM 0 H THR A 49 4.771 17.333 5.879 1.00 0.00 H new ATOM 0 HA THR A 49 7.522 18.089 6.615 1.00 0.00 H new ATOM 0 HB THR A 49 5.597 16.678 8.482 1.00 0.00 H new ATOM 0 HG1 THR A 49 4.393 18.507 8.137 1.00 0.00 H new ATOM 0 HG21 THR A 49 6.941 17.793 10.229 1.00 0.00 H new ATOM 0 HG22 THR A 49 7.958 16.840 9.123 1.00 0.00 H new ATOM 0 HG23 THR A 49 7.891 18.611 8.967 1.00 0.00 H new ATOM 665 N THR A 50 8.129 15.619 6.884 1.00 0.00 N ATOM 666 CA THR A 50 8.552 14.256 6.819 1.00 0.00 C ATOM 667 C THR A 50 7.630 13.379 7.681 1.00 0.00 C ATOM 668 O THR A 50 7.260 12.284 7.285 1.00 0.00 O ATOM 669 CB THR A 50 10.020 14.170 7.306 1.00 0.00 C ATOM 670 OG1 THR A 50 10.554 12.847 7.175 1.00 0.00 O ATOM 671 CG2 THR A 50 10.188 14.672 8.733 1.00 0.00 C ATOM 0 H THR A 50 8.838 16.248 7.262 1.00 0.00 H new ATOM 0 HA THR A 50 8.494 13.891 5.794 1.00 0.00 H new ATOM 0 HB THR A 50 10.590 14.831 6.653 1.00 0.00 H new ATOM 0 HG1 THR A 50 11.481 12.836 7.491 1.00 0.00 H new ATOM 0 HG21 THR A 50 11.235 14.591 9.026 1.00 0.00 H new ATOM 0 HG22 THR A 50 9.875 15.714 8.791 1.00 0.00 H new ATOM 0 HG23 THR A 50 9.575 14.071 9.405 1.00 0.00 H new ATOM 679 N GLU A 51 7.232 13.910 8.846 1.00 0.00 N ATOM 680 CA GLU A 51 6.278 13.242 9.735 1.00 0.00 C ATOM 681 C GLU A 51 4.988 13.003 8.987 1.00 0.00 C ATOM 682 O GLU A 51 4.392 11.933 9.083 1.00 0.00 O ATOM 683 CB GLU A 51 5.957 14.081 10.958 1.00 0.00 C ATOM 684 CG GLU A 51 7.132 14.539 11.775 1.00 0.00 C ATOM 685 CD GLU A 51 6.663 15.245 13.021 1.00 0.00 C ATOM 686 OE1 GLU A 51 6.377 16.463 12.960 1.00 0.00 O ATOM 687 OE2 GLU A 51 6.541 14.584 14.072 1.00 0.00 O ATOM 0 H GLU A 51 7.562 14.810 9.195 1.00 0.00 H new ATOM 0 HA GLU A 51 6.734 12.307 10.061 1.00 0.00 H new ATOM 0 HB2 GLU A 51 5.401 14.961 10.634 1.00 0.00 H new ATOM 0 HB3 GLU A 51 5.294 13.505 11.604 1.00 0.00 H new ATOM 0 HG2 GLU A 51 7.751 13.683 12.045 1.00 0.00 H new ATOM 0 HG3 GLU A 51 7.756 15.209 11.183 1.00 0.00 H new ATOM 694 N ASP A 52 4.595 13.982 8.202 1.00 0.00 N ATOM 695 CA ASP A 52 3.362 13.932 7.445 1.00 0.00 C ATOM 696 C ASP A 52 3.483 12.955 6.334 1.00 0.00 C ATOM 697 O ASP A 52 2.558 12.203 6.055 1.00 0.00 O ATOM 698 CB ASP A 52 3.023 15.311 6.889 1.00 0.00 C ATOM 699 CG ASP A 52 2.457 16.254 7.921 1.00 0.00 C ATOM 700 OD1 ASP A 52 1.370 15.982 8.470 1.00 0.00 O ATOM 701 OD2 ASP A 52 3.097 17.285 8.213 1.00 0.00 O ATOM 0 H ASP A 52 5.126 14.843 8.070 1.00 0.00 H new ATOM 0 HA ASP A 52 2.560 13.615 8.111 1.00 0.00 H new ATOM 0 HB2 ASP A 52 3.923 15.752 6.460 1.00 0.00 H new ATOM 0 HB3 ASP A 52 2.304 15.200 6.077 1.00 0.00 H new ATOM 706 N PHE A 53 4.644 12.947 5.732 1.00 0.00 N ATOM 707 CA PHE A 53 4.991 12.022 4.688 1.00 0.00 C ATOM 708 C PHE A 53 4.865 10.574 5.213 1.00 0.00 C ATOM 709 O PHE A 53 4.190 9.748 4.613 1.00 0.00 O ATOM 710 CB PHE A 53 6.418 12.309 4.194 1.00 0.00 C ATOM 711 CG PHE A 53 6.954 11.308 3.215 1.00 0.00 C ATOM 712 CD1 PHE A 53 6.718 11.448 1.871 1.00 0.00 C ATOM 713 CD2 PHE A 53 7.694 10.220 3.652 1.00 0.00 C ATOM 714 CE1 PHE A 53 7.203 10.532 0.974 1.00 0.00 C ATOM 715 CE2 PHE A 53 8.177 9.299 2.759 1.00 0.00 C ATOM 716 CZ PHE A 53 7.928 9.460 1.412 1.00 0.00 C ATOM 0 H PHE A 53 5.392 13.601 5.961 1.00 0.00 H new ATOM 0 HA PHE A 53 4.308 12.142 3.847 1.00 0.00 H new ATOM 0 HB2 PHE A 53 6.436 13.296 3.731 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.085 12.348 5.055 1.00 0.00 H new ATOM 0 HD1 PHE A 53 6.143 12.290 1.515 1.00 0.00 H new ATOM 0 HD2 PHE A 53 7.892 10.097 4.707 1.00 0.00 H new ATOM 0 HE1 PHE A 53 7.012 10.658 -0.081 1.00 0.00 H new ATOM 0 HE2 PHE A 53 8.749 8.452 3.108 1.00 0.00 H new ATOM 0 HZ PHE A 53 8.306 8.738 0.703 1.00 0.00 H new ATOM 726 N LYS A 54 5.496 10.314 6.348 1.00 0.00 N ATOM 727 CA LYS A 54 5.482 9.003 6.990 1.00 0.00 C ATOM 728 C LYS A 54 4.067 8.594 7.381 1.00 0.00 C ATOM 729 O LYS A 54 3.651 7.439 7.170 1.00 0.00 O ATOM 730 CB LYS A 54 6.387 9.035 8.236 1.00 0.00 C ATOM 731 CG LYS A 54 7.853 9.313 7.894 1.00 0.00 C ATOM 732 CD LYS A 54 8.749 9.424 9.125 1.00 0.00 C ATOM 733 CE LYS A 54 8.860 8.105 9.879 1.00 0.00 C ATOM 734 NZ LYS A 54 9.782 8.202 11.032 1.00 0.00 N ATOM 0 H LYS A 54 6.038 11.012 6.856 1.00 0.00 H new ATOM 0 HA LYS A 54 5.858 8.266 6.281 1.00 0.00 H new ATOM 0 HB2 LYS A 54 6.027 9.801 8.922 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.314 8.081 8.757 1.00 0.00 H new ATOM 0 HG2 LYS A 54 8.227 8.516 7.252 1.00 0.00 H new ATOM 0 HG3 LYS A 54 7.916 10.239 7.322 1.00 0.00 H new ATOM 0 HD2 LYS A 54 9.743 9.751 8.820 1.00 0.00 H new ATOM 0 HD3 LYS A 54 8.353 10.189 9.792 1.00 0.00 H new ATOM 0 HE2 LYS A 54 7.873 7.803 10.229 1.00 0.00 H new ATOM 0 HE3 LYS A 54 9.209 7.327 9.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 9.829 7.283 11.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 10.731 8.465 10.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 9.436 8.926 11.694 1.00 0.00 H new ATOM 748 N HIS A 55 3.312 9.562 7.880 1.00 0.00 N ATOM 749 CA HIS A 55 1.929 9.364 8.313 1.00 0.00 C ATOM 750 C HIS A 55 1.080 8.995 7.121 1.00 0.00 C ATOM 751 O HIS A 55 0.322 8.041 7.156 1.00 0.00 O ATOM 752 CB HIS A 55 1.397 10.660 8.959 1.00 0.00 C ATOM 753 CG HIS A 55 -0.049 10.635 9.419 1.00 0.00 C ATOM 754 ND1 HIS A 55 -0.432 10.287 10.690 1.00 0.00 N ATOM 755 CD2 HIS A 55 -1.192 10.965 8.763 1.00 0.00 C ATOM 756 CE1 HIS A 55 -1.736 10.402 10.807 1.00 0.00 C ATOM 757 NE2 HIS A 55 -2.226 10.813 9.648 1.00 0.00 N ATOM 0 H HIS A 55 3.643 10.520 7.999 1.00 0.00 H new ATOM 0 HA HIS A 55 1.887 8.559 9.047 1.00 0.00 H new ATOM 0 HB2 HIS A 55 2.025 10.898 9.817 1.00 0.00 H new ATOM 0 HB3 HIS A 55 1.515 11.473 8.243 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -1.271 11.287 7.735 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -2.311 10.196 11.698 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -3.211 10.988 9.447 1.00 0.00 H new ATOM 765 N LEU A 56 1.219 9.740 6.082 1.00 0.00 N ATOM 766 CA LEU A 56 0.450 9.506 4.907 1.00 0.00 C ATOM 767 C LEU A 56 0.853 8.196 4.241 1.00 0.00 C ATOM 768 O LEU A 56 -0.018 7.406 3.877 1.00 0.00 O ATOM 769 CB LEU A 56 0.605 10.636 3.917 1.00 0.00 C ATOM 770 CG LEU A 56 -0.665 11.168 3.269 1.00 0.00 C ATOM 771 CD1 LEU A 56 -0.390 11.690 1.888 1.00 0.00 C ATOM 772 CD2 LEU A 56 -1.843 10.202 3.339 1.00 0.00 C ATOM 0 H LEU A 56 1.866 10.526 6.020 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.594 9.445 5.214 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.099 11.465 4.424 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.275 10.302 3.125 1.00 0.00 H new ATOM 0 HG LEU A 56 -0.993 12.018 3.868 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.315 12.064 1.449 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.338 12.499 1.943 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.007 10.886 1.268 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.711 10.651 2.857 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -1.584 9.274 2.828 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -2.077 9.989 4.382 1.00 0.00 H new ATOM 784 N ALA A 57 2.161 7.947 4.112 1.00 0.00 N ATOM 785 CA ALA A 57 2.641 6.723 3.482 1.00 0.00 C ATOM 786 C ALA A 57 2.070 5.507 4.183 1.00 0.00 C ATOM 787 O ALA A 57 1.545 4.593 3.528 1.00 0.00 O ATOM 788 CB ALA A 57 4.158 6.667 3.419 1.00 0.00 C ATOM 0 H ALA A 57 2.897 8.575 4.434 1.00 0.00 H new ATOM 0 HA ALA A 57 2.288 6.723 2.451 1.00 0.00 H new ATOM 0 HB1 ALA A 57 4.468 5.737 2.942 1.00 0.00 H new ATOM 0 HB2 ALA A 57 4.530 7.513 2.841 1.00 0.00 H new ATOM 0 HB3 ALA A 57 4.566 6.710 4.429 1.00 0.00 H new ATOM 794 N ARG A 58 2.066 5.545 5.505 1.00 0.00 N ATOM 795 CA ARG A 58 1.558 4.404 6.280 1.00 0.00 C ATOM 796 C ARG A 58 0.035 4.286 6.119 1.00 0.00 C ATOM 797 O ARG A 58 -0.506 3.184 5.923 1.00 0.00 O ATOM 798 CB ARG A 58 1.965 4.479 7.778 1.00 0.00 C ATOM 799 CG ARG A 58 1.364 5.637 8.552 1.00 0.00 C ATOM 800 CD ARG A 58 1.850 5.691 9.977 1.00 0.00 C ATOM 801 NE ARG A 58 1.419 4.534 10.756 1.00 0.00 N ATOM 802 CZ ARG A 58 1.644 4.360 12.060 1.00 0.00 C ATOM 803 NH1 ARG A 58 2.248 5.315 12.782 1.00 0.00 N ATOM 804 NH2 ARG A 58 1.248 3.244 12.647 1.00 0.00 N ATOM 0 H ARG A 58 2.399 6.331 6.063 1.00 0.00 H new ATOM 0 HA ARG A 58 2.021 3.502 5.880 1.00 0.00 H new ATOM 0 HB2 ARG A 58 1.674 3.548 8.264 1.00 0.00 H new ATOM 0 HB3 ARG A 58 3.051 4.546 7.840 1.00 0.00 H new ATOM 0 HG2 ARG A 58 1.612 6.573 8.051 1.00 0.00 H new ATOM 0 HG3 ARG A 58 0.278 5.550 8.545 1.00 0.00 H new ATOM 0 HD2 ARG A 58 2.939 5.746 9.985 1.00 0.00 H new ATOM 0 HD3 ARG A 58 1.481 6.602 10.450 1.00 0.00 H new ATOM 0 HE ARG A 58 0.906 3.802 10.265 1.00 0.00 H new ATOM 0 HH11 ARG A 58 2.540 6.184 12.335 1.00 0.00 H new ATOM 0 HH12 ARG A 58 2.415 5.172 13.778 1.00 0.00 H new ATOM 0 HH21 ARG A 58 0.774 2.523 12.104 1.00 0.00 H new ATOM 0 HH22 ARG A 58 1.417 3.104 13.643 1.00 0.00 H new ATOM 818 N LYS A 59 -0.625 5.436 6.124 1.00 0.00 N ATOM 819 CA LYS A 59 -2.070 5.548 6.010 1.00 0.00 C ATOM 820 C LYS A 59 -2.560 4.932 4.701 1.00 0.00 C ATOM 821 O LYS A 59 -3.513 4.142 4.684 1.00 0.00 O ATOM 822 CB LYS A 59 -2.450 7.035 6.072 1.00 0.00 C ATOM 823 CG LYS A 59 -3.933 7.341 6.125 1.00 0.00 C ATOM 824 CD LYS A 59 -4.577 6.674 7.318 1.00 0.00 C ATOM 825 CE LYS A 59 -5.985 7.154 7.524 1.00 0.00 C ATOM 826 NZ LYS A 59 -6.027 8.578 7.904 1.00 0.00 N ATOM 0 H LYS A 59 -0.157 6.338 6.210 1.00 0.00 H new ATOM 0 HA LYS A 59 -2.543 5.007 6.829 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -1.977 7.474 6.951 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -2.027 7.534 5.200 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -4.085 8.419 6.180 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -4.413 6.998 5.208 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -4.577 5.593 7.176 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -3.988 6.878 8.212 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -6.558 7.005 6.609 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -6.463 6.556 8.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -6.797 8.733 8.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -5.121 8.848 8.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -6.192 9.159 7.057 1.00 0.00 H new ATOM 840 N LEU A 60 -1.896 5.286 3.622 1.00 0.00 N ATOM 841 CA LEU A 60 -2.263 4.828 2.285 1.00 0.00 C ATOM 842 C LEU A 60 -1.945 3.381 2.102 1.00 0.00 C ATOM 843 O LEU A 60 -2.729 2.643 1.503 1.00 0.00 O ATOM 844 CB LEU A 60 -1.556 5.681 1.278 1.00 0.00 C ATOM 845 CG LEU A 60 -1.926 7.128 1.429 1.00 0.00 C ATOM 846 CD1 LEU A 60 -0.900 8.046 0.794 1.00 0.00 C ATOM 847 CD2 LEU A 60 -3.298 7.367 0.857 1.00 0.00 C ATOM 0 H LEU A 60 -1.083 5.901 3.640 1.00 0.00 H new ATOM 0 HA LEU A 60 -3.340 4.927 2.147 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.478 5.566 1.394 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.807 5.343 0.273 1.00 0.00 H new ATOM 0 HG LEU A 60 -1.940 7.364 2.493 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.208 9.083 0.927 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.069 7.892 1.268 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.823 7.824 -0.270 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.561 8.419 0.970 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -3.302 7.103 -0.201 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -4.025 6.752 1.387 1.00 0.00 H new ATOM 859 N THR A 61 -0.799 2.969 2.649 1.00 0.00 N ATOM 860 CA THR A 61 -0.399 1.571 2.618 1.00 0.00 C ATOM 861 C THR A 61 -1.476 0.740 3.230 1.00 0.00 C ATOM 862 O THR A 61 -1.896 -0.284 2.691 1.00 0.00 O ATOM 863 CB THR A 61 0.903 1.352 3.422 1.00 0.00 C ATOM 864 OG1 THR A 61 1.957 2.123 2.851 1.00 0.00 O ATOM 865 CG2 THR A 61 1.301 -0.118 3.434 1.00 0.00 C ATOM 0 H THR A 61 -0.136 3.587 3.117 1.00 0.00 H new ATOM 0 HA THR A 61 -0.230 1.285 1.580 1.00 0.00 H new ATOM 0 HB THR A 61 0.725 1.670 4.449 1.00 0.00 H new ATOM 0 HG1 THR A 61 1.724 3.074 2.888 1.00 0.00 H new ATOM 0 HG21 THR A 61 2.220 -0.241 4.007 1.00 0.00 H new ATOM 0 HG22 THR A 61 0.506 -0.706 3.892 1.00 0.00 H new ATOM 0 HG23 THR A 61 1.462 -0.460 2.412 1.00 0.00 H new ATOM 873 N HIS A 62 -1.974 1.233 4.315 1.00 0.00 N ATOM 874 CA HIS A 62 -2.937 0.496 5.054 1.00 0.00 C ATOM 875 C HIS A 62 -4.320 0.599 4.410 1.00 0.00 C ATOM 876 O HIS A 62 -5.115 -0.316 4.528 1.00 0.00 O ATOM 877 CB HIS A 62 -2.934 0.933 6.517 1.00 0.00 C ATOM 878 CG HIS A 62 -3.810 0.112 7.404 1.00 0.00 C ATOM 879 ND1 HIS A 62 -3.577 -1.226 7.675 1.00 0.00 N ATOM 880 CD2 HIS A 62 -4.944 0.430 8.048 1.00 0.00 C ATOM 881 CE1 HIS A 62 -4.531 -1.690 8.436 1.00 0.00 C ATOM 882 NE2 HIS A 62 -5.380 -0.708 8.684 1.00 0.00 N ATOM 0 H HIS A 62 -1.729 2.142 4.707 1.00 0.00 H new ATOM 0 HA HIS A 62 -2.666 -0.559 5.034 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -1.912 0.891 6.895 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -3.252 1.974 6.574 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -5.423 1.398 8.064 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -4.612 -2.703 8.801 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -6.222 -0.782 9.255 1.00 0.00 H new ATOM 890 N GLY A 63 -4.580 1.674 3.691 1.00 0.00 N ATOM 891 CA GLY A 63 -5.870 1.836 3.057 1.00 0.00 C ATOM 892 C GLY A 63 -6.037 0.946 1.848 1.00 0.00 C ATOM 893 O GLY A 63 -7.131 0.436 1.603 1.00 0.00 O ATOM 0 H GLY A 63 -3.923 2.438 3.534 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -6.656 1.614 3.779 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -5.996 2.877 2.758 1.00 0.00 H new ATOM 897 N VAL A 64 -4.962 0.752 1.085 1.00 0.00 N ATOM 898 CA VAL A 64 -4.989 -0.192 -0.060 1.00 0.00 C ATOM 899 C VAL A 64 -5.199 -1.571 0.494 1.00 0.00 C ATOM 900 O VAL A 64 -6.070 -2.316 0.056 1.00 0.00 O ATOM 901 CB VAL A 64 -3.659 -0.165 -0.887 1.00 0.00 C ATOM 902 CG1 VAL A 64 -3.560 -1.363 -1.873 1.00 0.00 C ATOM 903 CG2 VAL A 64 -3.538 1.149 -1.640 1.00 0.00 C ATOM 0 H VAL A 64 -4.068 1.223 1.226 1.00 0.00 H new ATOM 0 HA VAL A 64 -5.792 0.101 -0.736 1.00 0.00 H new ATOM 0 HB VAL A 64 -2.832 -0.255 -0.182 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -2.622 -1.303 -2.425 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -3.593 -2.298 -1.314 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -4.395 -1.329 -2.572 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -2.610 1.157 -2.211 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -4.383 1.258 -2.319 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -3.534 1.976 -0.930 1.00 0.00 H new ATOM 913 N MET A 65 -4.484 -1.801 1.557 1.00 0.00 N ATOM 914 CA MET A 65 -4.470 -3.053 2.261 1.00 0.00 C ATOM 915 C MET A 65 -5.865 -3.387 2.765 1.00 0.00 C ATOM 916 O MET A 65 -6.340 -4.485 2.574 1.00 0.00 O ATOM 917 CB MET A 65 -3.484 -2.968 3.399 1.00 0.00 C ATOM 918 CG MET A 65 -3.444 -4.151 4.297 1.00 0.00 C ATOM 919 SD MET A 65 -2.249 -3.899 5.601 1.00 0.00 S ATOM 920 CE MET A 65 -2.634 -5.290 6.596 1.00 0.00 C ATOM 0 H MET A 65 -3.873 -1.098 1.973 1.00 0.00 H new ATOM 0 HA MET A 65 -4.161 -3.853 1.588 1.00 0.00 H new ATOM 0 HB2 MET A 65 -2.488 -2.814 2.984 1.00 0.00 H new ATOM 0 HB3 MET A 65 -3.720 -2.087 3.996 1.00 0.00 H new ATOM 0 HG2 MET A 65 -4.431 -4.323 4.727 1.00 0.00 H new ATOM 0 HG3 MET A 65 -3.186 -5.042 3.725 1.00 0.00 H new ATOM 0 HE1 MET A 65 -1.983 -5.304 7.470 1.00 0.00 H new ATOM 0 HE2 MET A 65 -3.673 -5.230 6.919 1.00 0.00 H new ATOM 0 HE3 MET A 65 -2.486 -6.203 6.019 1.00 0.00 H new ATOM 930 N ASN A 66 -6.517 -2.417 3.375 1.00 0.00 N ATOM 931 CA ASN A 66 -7.876 -2.563 3.867 1.00 0.00 C ATOM 932 C ASN A 66 -8.857 -2.881 2.759 1.00 0.00 C ATOM 933 O ASN A 66 -9.609 -3.860 2.855 1.00 0.00 O ATOM 934 CB ASN A 66 -8.313 -1.314 4.590 1.00 0.00 C ATOM 935 CG ASN A 66 -7.762 -1.201 5.960 1.00 0.00 C ATOM 936 OD1 ASN A 66 -7.500 -2.204 6.632 1.00 0.00 O ATOM 937 ND2 ASN A 66 -7.589 -0.005 6.403 1.00 0.00 N ATOM 0 H ASN A 66 -6.115 -1.495 3.546 1.00 0.00 H new ATOM 0 HA ASN A 66 -7.873 -3.405 4.559 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -8.007 -0.443 4.011 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -9.402 -1.296 4.642 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -7.222 0.143 7.343 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -7.819 0.795 5.814 1.00 0.00 H new ATOM 944 N LYS A 67 -8.826 -2.103 1.704 1.00 0.00 N ATOM 945 CA LYS A 67 -9.783 -2.280 0.636 1.00 0.00 C ATOM 946 C LYS A 67 -9.628 -3.621 -0.016 1.00 0.00 C ATOM 947 O LYS A 67 -10.623 -4.342 -0.236 1.00 0.00 O ATOM 948 CB LYS A 67 -9.729 -1.161 -0.392 1.00 0.00 C ATOM 949 CG LYS A 67 -10.206 0.181 0.127 1.00 0.00 C ATOM 950 CD LYS A 67 -10.134 1.222 -0.965 1.00 0.00 C ATOM 951 CE LYS A 67 -10.589 2.589 -0.482 1.00 0.00 C ATOM 952 NZ LYS A 67 -10.354 3.624 -1.509 1.00 0.00 N ATOM 0 H LYS A 67 -8.156 -1.348 1.561 1.00 0.00 H new ATOM 0 HA LYS A 67 -10.771 -2.236 1.095 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -8.704 -1.057 -0.747 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -10.337 -1.443 -1.252 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -11.230 0.095 0.490 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -9.593 0.490 0.974 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -9.110 1.290 -1.333 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -10.755 0.910 -1.805 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -11.649 2.555 -0.232 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -10.055 2.851 0.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -10.674 4.547 -1.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -9.338 3.671 -1.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -10.884 3.384 -2.371 1.00 0.00 H new ATOM 966 N GLU A 68 -8.411 -4.025 -0.256 1.00 0.00 N ATOM 967 CA GLU A 68 -8.253 -5.241 -0.886 1.00 0.00 C ATOM 968 C GLU A 68 -8.384 -6.398 0.038 1.00 0.00 C ATOM 969 O GLU A 68 -8.793 -7.406 -0.378 1.00 0.00 O ATOM 970 CB GLU A 68 -7.097 -5.290 -1.815 1.00 0.00 C ATOM 971 CG GLU A 68 -5.732 -5.065 -1.248 1.00 0.00 C ATOM 972 CD GLU A 68 -4.750 -5.140 -2.366 1.00 0.00 C ATOM 973 OE1 GLU A 68 -4.796 -4.235 -3.270 1.00 0.00 O ATOM 974 OE2 GLU A 68 -4.029 -6.155 -2.458 1.00 0.00 O ATOM 0 H GLU A 68 -7.555 -3.523 -0.020 1.00 0.00 H new ATOM 0 HA GLU A 68 -9.106 -5.346 -1.556 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -7.100 -6.266 -2.301 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -7.262 -4.545 -2.594 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -5.678 -4.093 -0.759 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -5.505 -5.816 -0.491 1.00 0.00 H new ATOM 981 N LEU A 69 -8.059 -6.254 1.306 1.00 0.00 N ATOM 982 CA LEU A 69 -8.413 -7.306 2.276 1.00 0.00 C ATOM 983 C LEU A 69 -9.915 -7.501 2.386 1.00 0.00 C ATOM 984 O LEU A 69 -10.381 -8.561 2.781 1.00 0.00 O ATOM 985 CB LEU A 69 -7.790 -7.078 3.651 1.00 0.00 C ATOM 986 CG LEU A 69 -6.300 -7.388 3.751 1.00 0.00 C ATOM 987 CD1 LEU A 69 -5.762 -7.014 5.110 1.00 0.00 C ATOM 988 CD2 LEU A 69 -6.056 -8.862 3.483 1.00 0.00 C ATOM 0 H LEU A 69 -7.566 -5.450 1.695 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.985 -8.227 1.881 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.948 -6.038 3.935 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -8.322 -7.691 4.379 1.00 0.00 H new ATOM 0 HG LEU A 69 -5.776 -6.796 3.001 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -4.698 -7.245 5.156 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -5.910 -5.947 5.279 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -6.289 -7.579 5.878 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -4.989 -9.073 3.557 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.596 -9.460 4.217 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.407 -9.113 2.482 1.00 0.00 H new ATOM 1000 N LYS A 70 -10.679 -6.473 2.066 1.00 0.00 N ATOM 1001 CA LYS A 70 -12.121 -6.627 1.997 1.00 0.00 C ATOM 1002 C LYS A 70 -12.490 -7.447 0.799 1.00 0.00 C ATOM 1003 O LYS A 70 -13.265 -8.388 0.881 1.00 0.00 O ATOM 1004 CB LYS A 70 -12.806 -5.302 1.833 1.00 0.00 C ATOM 1005 CG LYS A 70 -12.628 -4.360 2.949 1.00 0.00 C ATOM 1006 CD LYS A 70 -13.337 -3.072 2.633 1.00 0.00 C ATOM 1007 CE LYS A 70 -13.181 -2.057 3.753 1.00 0.00 C ATOM 1008 NZ LYS A 70 -13.818 -2.509 5.013 1.00 0.00 N ATOM 0 H LYS A 70 -10.333 -5.537 1.853 1.00 0.00 H new ATOM 0 HA LYS A 70 -12.434 -7.103 2.926 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -12.439 -4.832 0.921 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -13.873 -5.478 1.694 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -13.024 -4.790 3.869 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -11.567 -4.173 3.116 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -12.941 -2.656 1.707 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -14.396 -3.270 2.466 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -12.121 -1.874 3.929 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -13.622 -1.109 3.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -13.851 -1.719 5.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -14.785 -2.836 4.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -13.265 -3.290 5.421 1.00 0.00 H new ATOM 1022 N TYR A 71 -11.934 -7.068 -0.314 1.00 0.00 N ATOM 1023 CA TYR A 71 -12.281 -7.652 -1.597 1.00 0.00 C ATOM 1024 C TYR A 71 -11.634 -9.006 -1.768 1.00 0.00 C ATOM 1025 O TYR A 71 -12.189 -9.907 -2.395 1.00 0.00 O ATOM 1026 CB TYR A 71 -11.891 -6.702 -2.728 1.00 0.00 C ATOM 1027 CG TYR A 71 -12.440 -5.284 -2.572 1.00 0.00 C ATOM 1028 CD1 TYR A 71 -13.481 -4.988 -1.678 1.00 0.00 C ATOM 1029 CD2 TYR A 71 -11.900 -4.243 -3.300 1.00 0.00 C ATOM 1030 CE1 TYR A 71 -13.945 -3.709 -1.526 1.00 0.00 C ATOM 1031 CE2 TYR A 71 -12.366 -2.955 -3.155 1.00 0.00 C ATOM 1032 CZ TYR A 71 -13.385 -2.694 -2.266 1.00 0.00 C ATOM 1033 OH TYR A 71 -13.842 -1.401 -2.113 1.00 0.00 O ATOM 0 H TYR A 71 -11.221 -6.341 -0.368 1.00 0.00 H new ATOM 0 HA TYR A 71 -13.360 -7.801 -1.632 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -10.804 -6.654 -2.789 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -12.245 -7.115 -3.673 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -13.924 -5.785 -1.099 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -11.098 -4.442 -3.995 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -14.744 -3.499 -0.831 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -11.934 -2.153 -3.736 1.00 0.00 H new ATOM 0 HH TYR A 71 -13.341 -0.804 -2.707 1.00 0.00 H new ATOM 1043 N CYS A 72 -10.502 -9.150 -1.181 1.00 0.00 N ATOM 1044 CA CYS A 72 -9.781 -10.371 -1.188 1.00 0.00 C ATOM 1045 C CYS A 72 -10.102 -11.070 0.087 1.00 0.00 C ATOM 1046 O CYS A 72 -9.564 -10.775 1.149 1.00 0.00 O ATOM 1047 CB CYS A 72 -8.274 -10.155 -1.369 1.00 0.00 C ATOM 1048 SG CYS A 72 -7.836 -9.348 -2.933 1.00 0.00 S ATOM 0 H CYS A 72 -10.038 -8.401 -0.668 1.00 0.00 H new ATOM 0 HA CYS A 72 -10.078 -10.982 -2.040 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -7.900 -9.551 -0.542 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -7.768 -11.119 -1.314 1.00 0.00 H new ATOM 0 HG CYS A 72 -7.624 -10.252 -3.843 1.00 0.00 H new ATOM 1054 N LYS A 73 -11.013 -11.970 -0.038 1.00 0.00 N ATOM 1055 CA LYS A 73 -11.604 -12.691 1.047 1.00 0.00 C ATOM 1056 C LYS A 73 -10.598 -13.707 1.624 1.00 0.00 C ATOM 1057 O LYS A 73 -10.800 -14.280 2.700 1.00 0.00 O ATOM 1058 CB LYS A 73 -12.859 -13.346 0.496 1.00 0.00 C ATOM 1059 CG LYS A 73 -13.842 -12.327 -0.147 1.00 0.00 C ATOM 1060 CD LYS A 73 -14.575 -11.505 0.881 1.00 0.00 C ATOM 1061 CE LYS A 73 -15.627 -10.612 0.226 1.00 0.00 C ATOM 1062 NZ LYS A 73 -15.027 -9.645 -0.719 1.00 0.00 N ATOM 0 H LYS A 73 -11.390 -12.241 -0.946 1.00 0.00 H new ATOM 0 HA LYS A 73 -11.871 -12.039 1.878 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -12.577 -14.090 -0.249 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -13.369 -13.877 1.300 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -13.289 -11.663 -0.811 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -14.565 -12.863 -0.762 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -15.054 -12.165 1.604 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -13.864 -10.890 1.433 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -16.351 -11.233 -0.302 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -16.174 -10.071 0.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -15.758 -8.983 -1.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -14.271 -9.115 -0.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -14.629 -10.156 -1.533 1.00 0.00 H new ATOM 1076 N ASN A 74 -9.540 -13.926 0.880 1.00 0.00 N ATOM 1077 CA ASN A 74 -8.401 -14.699 1.312 1.00 0.00 C ATOM 1078 C ASN A 74 -7.139 -13.954 0.901 1.00 0.00 C ATOM 1079 O ASN A 74 -6.943 -13.675 -0.277 1.00 0.00 O ATOM 1080 CB ASN A 74 -8.387 -16.135 0.727 1.00 0.00 C ATOM 1081 CG ASN A 74 -9.358 -17.093 1.408 1.00 0.00 C ATOM 1082 OD1 ASN A 74 -9.010 -17.754 2.390 1.00 0.00 O ATOM 1083 ND2 ASN A 74 -10.547 -17.222 0.886 1.00 0.00 N ATOM 0 H ASN A 74 -9.446 -13.561 -0.068 1.00 0.00 H new ATOM 0 HA ASN A 74 -8.457 -14.812 2.395 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -8.627 -16.086 -0.335 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -7.378 -16.539 0.808 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -11.213 -17.881 1.290 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -10.811 -16.664 0.074 1.00 0.00 H new ATOM 1090 N PRO A 75 -6.256 -13.601 1.861 1.00 0.00 N ATOM 1091 CA PRO A 75 -4.997 -12.881 1.571 1.00 0.00 C ATOM 1092 C PRO A 75 -3.961 -13.681 0.820 1.00 0.00 C ATOM 1093 O PRO A 75 -2.826 -13.257 0.673 1.00 0.00 O ATOM 1094 CB PRO A 75 -4.405 -12.581 2.894 1.00 0.00 C ATOM 1095 CG PRO A 75 -5.133 -13.423 3.906 1.00 0.00 C ATOM 1096 CD PRO A 75 -6.446 -13.820 3.304 1.00 0.00 C ATOM 0 HA PRO A 75 -5.245 -12.023 0.947 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -3.339 -12.808 2.899 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -4.506 -11.522 3.130 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -4.547 -14.305 4.163 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -5.288 -12.864 4.829 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -6.687 -14.861 3.522 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -7.264 -13.215 3.695 1.00 0.00 H new ATOM 1104 N GLU A 76 -4.362 -14.800 0.326 1.00 0.00 N ATOM 1105 CA GLU A 76 -3.558 -15.644 -0.508 1.00 0.00 C ATOM 1106 C GLU A 76 -3.531 -14.988 -1.905 1.00 0.00 C ATOM 1107 O GLU A 76 -2.841 -15.414 -2.831 1.00 0.00 O ATOM 1108 CB GLU A 76 -4.213 -17.038 -0.565 1.00 0.00 C ATOM 1109 CG GLU A 76 -3.353 -18.155 -1.143 1.00 0.00 C ATOM 1110 CD GLU A 76 -2.153 -18.481 -0.280 1.00 0.00 C ATOM 1111 OE1 GLU A 76 -2.302 -19.234 0.703 1.00 0.00 O ATOM 1112 OE2 GLU A 76 -1.035 -18.000 -0.583 1.00 0.00 O ATOM 0 H GLU A 76 -5.296 -15.173 0.495 1.00 0.00 H new ATOM 0 HA GLU A 76 -2.542 -15.759 -0.130 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -4.510 -17.320 0.445 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -5.126 -16.965 -1.157 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -3.962 -19.051 -1.263 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -3.012 -17.867 -2.137 1.00 0.00 H new ATOM 1119 N ASP A 77 -4.303 -13.928 -2.001 1.00 0.00 N ATOM 1120 CA ASP A 77 -4.486 -13.144 -3.198 1.00 0.00 C ATOM 1121 C ASP A 77 -4.023 -11.705 -2.921 1.00 0.00 C ATOM 1122 O ASP A 77 -4.069 -10.832 -3.785 1.00 0.00 O ATOM 1123 CB ASP A 77 -5.973 -13.185 -3.577 1.00 0.00 C ATOM 1124 CG ASP A 77 -6.303 -12.499 -4.880 1.00 0.00 C ATOM 1125 OD1 ASP A 77 -5.950 -13.028 -5.962 1.00 0.00 O ATOM 1126 OD2 ASP A 77 -6.941 -11.427 -4.858 1.00 0.00 O ATOM 0 H ASP A 77 -4.843 -13.575 -1.211 1.00 0.00 H new ATOM 0 HA ASP A 77 -3.899 -13.541 -4.026 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -6.292 -14.226 -3.637 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -6.552 -12.720 -2.779 1.00 0.00 H new ATOM 1131 N LEU A 78 -3.516 -11.493 -1.717 1.00 0.00 N ATOM 1132 CA LEU A 78 -3.042 -10.243 -1.273 1.00 0.00 C ATOM 1133 C LEU A 78 -1.548 -10.235 -1.519 1.00 0.00 C ATOM 1134 O LEU A 78 -0.790 -10.991 -0.900 1.00 0.00 O ATOM 1135 CB LEU A 78 -3.316 -10.113 0.205 1.00 0.00 C ATOM 1136 CG LEU A 78 -2.919 -8.821 0.832 1.00 0.00 C ATOM 1137 CD1 LEU A 78 -3.946 -7.737 0.626 1.00 0.00 C ATOM 1138 CD2 LEU A 78 -2.572 -9.002 2.263 1.00 0.00 C ATOM 0 H LEU A 78 -3.431 -12.229 -1.016 1.00 0.00 H new ATOM 0 HA LEU A 78 -3.528 -9.418 -1.793 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -4.383 -10.262 0.371 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -2.797 -10.920 0.723 1.00 0.00 H new ATOM 0 HG LEU A 78 -2.019 -8.481 0.319 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -3.606 -6.818 1.103 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -4.082 -7.563 -0.441 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -4.894 -8.045 1.067 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -2.287 -8.042 2.692 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.435 -9.397 2.799 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -1.739 -9.700 2.350 1.00 0.00 H new ATOM 1150 N GLU A 79 -1.168 -9.466 -2.450 1.00 0.00 N ATOM 1151 CA GLU A 79 0.163 -9.355 -2.915 1.00 0.00 C ATOM 1152 C GLU A 79 0.326 -7.945 -3.389 1.00 0.00 C ATOM 1153 O GLU A 79 -0.603 -7.391 -3.941 1.00 0.00 O ATOM 1154 CB GLU A 79 0.266 -10.249 -4.116 1.00 0.00 C ATOM 1155 CG GLU A 79 1.564 -10.220 -4.851 1.00 0.00 C ATOM 1156 CD GLU A 79 2.682 -10.904 -4.130 1.00 0.00 C ATOM 1157 OE1 GLU A 79 3.378 -10.263 -3.339 1.00 0.00 O ATOM 1158 OE2 GLU A 79 2.888 -12.114 -4.350 1.00 0.00 O ATOM 0 H GLU A 79 -1.814 -8.852 -2.947 1.00 0.00 H new ATOM 0 HA GLU A 79 0.900 -9.614 -2.154 1.00 0.00 H new ATOM 0 HB2 GLU A 79 0.076 -11.274 -3.797 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -0.528 -9.979 -4.813 1.00 0.00 H new ATOM 0 HG2 GLU A 79 1.430 -10.691 -5.825 1.00 0.00 H new ATOM 0 HG3 GLU A 79 1.844 -9.183 -5.035 1.00 0.00 H new ATOM 1165 N CYS A 80 1.482 -7.393 -3.218 1.00 0.00 N ATOM 1166 CA CYS A 80 1.790 -6.090 -3.747 1.00 0.00 C ATOM 1167 C CYS A 80 2.206 -6.311 -5.169 1.00 0.00 C ATOM 1168 O CYS A 80 3.386 -6.312 -5.516 1.00 0.00 O ATOM 1169 CB CYS A 80 2.897 -5.357 -2.922 1.00 0.00 C ATOM 1170 SG CYS A 80 3.485 -3.790 -3.620 1.00 0.00 S ATOM 0 H CYS A 80 2.249 -7.829 -2.706 1.00 0.00 H new ATOM 0 HA CYS A 80 0.922 -5.434 -3.686 1.00 0.00 H new ATOM 0 HB2 CYS A 80 2.512 -5.166 -1.920 1.00 0.00 H new ATOM 0 HB3 CYS A 80 3.749 -6.028 -2.814 1.00 0.00 H new ATOM 0 HG CYS A 80 4.717 -3.925 -4.011 1.00 0.00 H new ATOM 1176 N ASN A 81 1.239 -6.619 -5.974 1.00 0.00 N ATOM 1177 CA ASN A 81 1.510 -6.983 -7.337 1.00 0.00 C ATOM 1178 C ASN A 81 1.263 -5.786 -8.213 1.00 0.00 C ATOM 1179 O ASN A 81 0.878 -4.742 -7.730 1.00 0.00 O ATOM 1180 CB ASN A 81 0.643 -8.138 -7.813 1.00 0.00 C ATOM 1181 CG ASN A 81 -0.826 -7.721 -7.969 1.00 0.00 C ATOM 1182 OD1 ASN A 81 -1.200 -7.179 -8.908 1.00 0.00 O ATOM 1183 ND2 ASN A 81 -1.616 -7.973 -7.066 1.00 0.00 N ATOM 0 H ASN A 81 0.252 -6.627 -5.715 1.00 0.00 H new ATOM 0 HA ASN A 81 2.548 -7.309 -7.397 1.00 0.00 H new ATOM 0 HB2 ASN A 81 1.020 -8.506 -8.767 1.00 0.00 H new ATOM 0 HB3 ASN A 81 0.714 -8.962 -7.103 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -2.595 -7.701 -7.154 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -1.294 -8.455 -6.226 1.00 0.00 H new ATOM 1190 N GLU A 82 1.457 -5.982 -9.480 1.00 0.00 N ATOM 1191 CA GLU A 82 1.203 -5.008 -10.523 1.00 0.00 C ATOM 1192 C GLU A 82 -0.152 -4.334 -10.421 1.00 0.00 C ATOM 1193 O GLU A 82 -0.229 -3.130 -10.364 1.00 0.00 O ATOM 1194 CB GLU A 82 1.276 -5.722 -11.807 1.00 0.00 C ATOM 1195 CG GLU A 82 2.682 -5.979 -12.263 1.00 0.00 C ATOM 1196 CD GLU A 82 3.397 -4.711 -12.668 1.00 0.00 C ATOM 1197 OE1 GLU A 82 3.127 -4.174 -13.777 1.00 0.00 O ATOM 1198 OE2 GLU A 82 4.228 -4.199 -11.889 1.00 0.00 O ATOM 0 H GLU A 82 1.814 -6.865 -9.844 1.00 0.00 H new ATOM 0 HA GLU A 82 1.946 -4.216 -10.427 1.00 0.00 H new ATOM 0 HB2 GLU A 82 0.751 -6.673 -11.717 1.00 0.00 H new ATOM 0 HB3 GLU A 82 0.755 -5.141 -12.568 1.00 0.00 H new ATOM 0 HG2 GLU A 82 3.238 -6.466 -11.462 1.00 0.00 H new ATOM 0 HG3 GLU A 82 2.667 -6.670 -13.106 1.00 0.00 H new ATOM 1205 N ASN A 83 -1.186 -5.138 -10.388 1.00 0.00 N ATOM 1206 CA ASN A 83 -2.572 -4.714 -10.238 1.00 0.00 C ATOM 1207 C ASN A 83 -2.696 -3.871 -9.025 1.00 0.00 C ATOM 1208 O ASN A 83 -3.269 -2.764 -9.083 1.00 0.00 O ATOM 1209 CB ASN A 83 -3.501 -5.927 -10.064 1.00 0.00 C ATOM 1210 CG ASN A 83 -3.671 -6.750 -11.319 1.00 0.00 C ATOM 1211 OD1 ASN A 83 -3.647 -6.233 -12.434 1.00 0.00 O ATOM 1212 ND2 ASN A 83 -3.848 -8.025 -11.155 1.00 0.00 N ATOM 0 H ASN A 83 -1.089 -6.150 -10.468 1.00 0.00 H new ATOM 0 HA ASN A 83 -2.857 -4.162 -11.133 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -3.106 -6.565 -9.273 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -4.480 -5.579 -9.734 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -3.973 -8.631 -11.966 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -3.862 -8.421 -10.215 1.00 0.00 H new ATOM 1219 N VAL A 84 -2.141 -4.363 -7.907 1.00 0.00 N ATOM 1220 CA VAL A 84 -2.201 -3.600 -6.681 1.00 0.00 C ATOM 1221 C VAL A 84 -1.479 -2.281 -6.840 1.00 0.00 C ATOM 1222 O VAL A 84 -2.033 -1.242 -6.532 1.00 0.00 O ATOM 1223 CB VAL A 84 -1.656 -4.379 -5.490 1.00 0.00 C ATOM 1224 CG1 VAL A 84 -1.579 -3.524 -4.249 1.00 0.00 C ATOM 1225 CG2 VAL A 84 -2.539 -5.526 -5.222 1.00 0.00 C ATOM 0 H VAL A 84 -1.662 -5.261 -7.839 1.00 0.00 H new ATOM 0 HA VAL A 84 -3.252 -3.400 -6.475 1.00 0.00 H new ATOM 0 HB VAL A 84 -0.648 -4.711 -5.738 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -1.186 -4.116 -3.423 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.921 -2.675 -4.432 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -2.575 -3.162 -3.994 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -2.156 -6.089 -4.371 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.543 -5.167 -4.997 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -2.572 -6.172 -6.099 1.00 0.00 H new ATOM 1235 N LYS A 85 -0.272 -2.333 -7.375 1.00 0.00 N ATOM 1236 CA LYS A 85 0.548 -1.136 -7.594 1.00 0.00 C ATOM 1237 C LYS A 85 -0.164 -0.139 -8.440 1.00 0.00 C ATOM 1238 O LYS A 85 -0.261 1.010 -8.075 1.00 0.00 O ATOM 1239 CB LYS A 85 1.865 -1.511 -8.229 1.00 0.00 C ATOM 1240 CG LYS A 85 2.691 -2.353 -7.327 1.00 0.00 C ATOM 1241 CD LYS A 85 3.946 -2.836 -7.979 1.00 0.00 C ATOM 1242 CE LYS A 85 4.548 -3.869 -7.094 1.00 0.00 C ATOM 1243 NZ LYS A 85 5.830 -4.398 -7.591 1.00 0.00 N ATOM 0 H LYS A 85 0.174 -3.201 -7.672 1.00 0.00 H new ATOM 0 HA LYS A 85 0.738 -0.680 -6.623 1.00 0.00 H new ATOM 0 HB2 LYS A 85 1.680 -2.048 -9.160 1.00 0.00 H new ATOM 0 HB3 LYS A 85 2.415 -0.606 -8.487 1.00 0.00 H new ATOM 0 HG2 LYS A 85 2.947 -1.781 -6.435 1.00 0.00 H new ATOM 0 HG3 LYS A 85 2.104 -3.210 -6.998 1.00 0.00 H new ATOM 0 HD2 LYS A 85 3.730 -3.254 -8.962 1.00 0.00 H new ATOM 0 HD3 LYS A 85 4.641 -2.010 -8.130 1.00 0.00 H new ATOM 0 HE2 LYS A 85 4.701 -3.442 -6.103 1.00 0.00 H new ATOM 0 HE3 LYS A 85 3.844 -4.693 -6.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 6.192 -5.112 -6.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 5.687 -4.834 -8.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 6.517 -3.622 -7.673 1.00 0.00 H new ATOM 1257 N HIS A 86 -0.709 -0.618 -9.515 1.00 0.00 N ATOM 1258 CA HIS A 86 -1.452 0.176 -10.495 1.00 0.00 C ATOM 1259 C HIS A 86 -2.543 0.968 -9.787 1.00 0.00 C ATOM 1260 O HIS A 86 -2.576 2.214 -9.812 1.00 0.00 O ATOM 1261 CB HIS A 86 -2.059 -0.771 -11.546 1.00 0.00 C ATOM 1262 CG HIS A 86 -2.740 -0.108 -12.703 1.00 0.00 C ATOM 1263 ND1 HIS A 86 -3.950 -0.524 -13.208 1.00 0.00 N ATOM 1264 CD2 HIS A 86 -2.323 0.885 -13.503 1.00 0.00 C ATOM 1265 CE1 HIS A 86 -4.243 0.179 -14.275 1.00 0.00 C ATOM 1266 NE2 HIS A 86 -3.267 1.052 -14.484 1.00 0.00 N ATOM 0 H HIS A 86 -0.657 -1.607 -9.760 1.00 0.00 H new ATOM 0 HA HIS A 86 -0.786 0.880 -10.994 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -1.266 -1.410 -11.933 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -2.779 -1.422 -11.049 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -1.409 1.451 -13.394 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -5.130 0.066 -14.881 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -3.225 1.731 -15.244 1.00 0.00 H new ATOM 1274 N LYS A 87 -3.327 0.237 -9.068 1.00 0.00 N ATOM 1275 CA LYS A 87 -4.458 0.742 -8.344 1.00 0.00 C ATOM 1276 C LYS A 87 -3.983 1.710 -7.260 1.00 0.00 C ATOM 1277 O LYS A 87 -4.590 2.738 -7.040 1.00 0.00 O ATOM 1278 CB LYS A 87 -5.247 -0.490 -7.808 1.00 0.00 C ATOM 1279 CG LYS A 87 -6.512 -0.259 -6.979 1.00 0.00 C ATOM 1280 CD LYS A 87 -6.239 0.205 -5.540 1.00 0.00 C ATOM 1281 CE LYS A 87 -5.392 -0.797 -4.726 1.00 0.00 C ATOM 1282 NZ LYS A 87 -6.043 -2.132 -4.527 1.00 0.00 N ATOM 0 H LYS A 87 -3.197 -0.769 -8.961 1.00 0.00 H new ATOM 0 HA LYS A 87 -5.135 1.324 -8.970 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -5.524 -1.102 -8.666 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -4.561 -1.082 -7.202 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -7.131 0.486 -7.479 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -7.088 -1.184 -6.949 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -5.726 1.166 -5.567 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -7.189 0.365 -5.031 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -4.437 -0.943 -5.231 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -5.174 -0.363 -3.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -5.392 -2.763 -4.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -6.916 -2.014 -3.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -6.273 -2.547 -5.452 1.00 0.00 H new ATOM 1296 N THR A 88 -2.851 1.412 -6.695 1.00 0.00 N ATOM 1297 CA THR A 88 -2.326 2.109 -5.611 1.00 0.00 C ATOM 1298 C THR A 88 -1.790 3.432 -6.003 1.00 0.00 C ATOM 1299 O THR A 88 -2.262 4.419 -5.520 1.00 0.00 O ATOM 1300 CB THR A 88 -1.270 1.274 -4.952 1.00 0.00 C ATOM 1301 OG1 THR A 88 -1.896 0.174 -4.317 1.00 0.00 O ATOM 1302 CG2 THR A 88 -0.461 2.084 -3.986 1.00 0.00 C ATOM 0 H THR A 88 -2.261 0.641 -7.007 1.00 0.00 H new ATOM 0 HA THR A 88 -3.133 2.301 -4.904 1.00 0.00 H new ATOM 0 HB THR A 88 -0.572 0.905 -5.704 1.00 0.00 H new ATOM 0 HG1 THR A 88 -2.136 -0.498 -4.989 1.00 0.00 H new ATOM 0 HG21 THR A 88 0.296 1.450 -3.525 1.00 0.00 H new ATOM 0 HG22 THR A 88 0.025 2.903 -4.516 1.00 0.00 H new ATOM 0 HG23 THR A 88 -1.115 2.489 -3.214 1.00 0.00 H new ATOM 1310 N LYS A 89 -0.828 3.461 -6.885 1.00 0.00 N ATOM 1311 CA LYS A 89 -0.279 4.716 -7.285 1.00 0.00 C ATOM 1312 C LYS A 89 -1.315 5.623 -7.944 1.00 0.00 C ATOM 1313 O LYS A 89 -1.288 6.840 -7.758 1.00 0.00 O ATOM 1314 CB LYS A 89 1.007 4.549 -8.095 1.00 0.00 C ATOM 1315 CG LYS A 89 1.019 3.438 -9.113 1.00 0.00 C ATOM 1316 CD LYS A 89 0.072 3.654 -10.216 1.00 0.00 C ATOM 1317 CE LYS A 89 0.504 2.912 -11.475 1.00 0.00 C ATOM 1318 NZ LYS A 89 1.777 3.406 -12.030 1.00 0.00 N ATOM 0 H LYS A 89 -0.417 2.641 -7.331 1.00 0.00 H new ATOM 0 HA LYS A 89 0.017 5.242 -6.377 1.00 0.00 H new ATOM 0 HB2 LYS A 89 1.210 5.487 -8.611 1.00 0.00 H new ATOM 0 HB3 LYS A 89 1.830 4.384 -7.399 1.00 0.00 H new ATOM 0 HG2 LYS A 89 2.025 3.338 -9.521 1.00 0.00 H new ATOM 0 HG3 LYS A 89 0.781 2.497 -8.617 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -0.920 3.317 -9.916 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -0.004 4.720 -10.429 1.00 0.00 H new ATOM 0 HE2 LYS A 89 0.601 1.850 -11.248 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -0.276 3.007 -12.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 1.626 3.737 -13.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 2.128 4.193 -11.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 2.477 2.637 -12.031 1.00 0.00 H new ATOM 1332 N GLU A 90 -2.260 5.016 -8.687 1.00 0.00 N ATOM 1333 CA GLU A 90 -3.374 5.795 -9.228 1.00 0.00 C ATOM 1334 C GLU A 90 -4.265 6.316 -8.112 1.00 0.00 C ATOM 1335 O GLU A 90 -4.704 7.470 -8.154 1.00 0.00 O ATOM 1336 CB GLU A 90 -4.205 5.030 -10.229 1.00 0.00 C ATOM 1337 CG GLU A 90 -3.486 4.708 -11.517 1.00 0.00 C ATOM 1338 CD GLU A 90 -4.421 4.152 -12.538 1.00 0.00 C ATOM 1339 OE1 GLU A 90 -4.745 2.966 -12.482 1.00 0.00 O ATOM 1340 OE2 GLU A 90 -4.881 4.913 -13.411 1.00 0.00 O ATOM 0 H GLU A 90 -2.272 4.022 -8.917 1.00 0.00 H new ATOM 0 HA GLU A 90 -2.922 6.633 -9.758 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -4.539 4.099 -9.771 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -5.098 5.610 -10.461 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -3.013 5.610 -11.907 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -2.690 3.990 -11.321 1.00 0.00 H new ATOM 1347 N TYR A 91 -4.441 5.501 -7.068 1.00 0.00 N ATOM 1348 CA TYR A 91 -5.265 5.883 -5.927 1.00 0.00 C ATOM 1349 C TYR A 91 -4.599 7.025 -5.241 1.00 0.00 C ATOM 1350 O TYR A 91 -5.216 8.003 -4.962 1.00 0.00 O ATOM 1351 CB TYR A 91 -5.436 4.709 -4.933 1.00 0.00 C ATOM 1352 CG TYR A 91 -5.836 5.111 -3.516 1.00 0.00 C ATOM 1353 CD1 TYR A 91 -7.057 5.714 -3.237 1.00 0.00 C ATOM 1354 CD2 TYR A 91 -4.961 4.889 -2.459 1.00 0.00 C ATOM 1355 CE1 TYR A 91 -7.393 6.077 -1.944 1.00 0.00 C ATOM 1356 CE2 TYR A 91 -5.284 5.244 -1.176 1.00 0.00 C ATOM 1357 CZ TYR A 91 -6.504 5.838 -0.914 1.00 0.00 C ATOM 1358 OH TYR A 91 -6.837 6.192 0.386 1.00 0.00 O ATOM 0 H TYR A 91 -4.022 4.574 -6.993 1.00 0.00 H new ATOM 0 HA TYR A 91 -6.258 6.162 -6.280 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -6.190 4.027 -5.327 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -4.499 4.155 -4.885 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -7.754 5.902 -4.041 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -4.005 4.426 -2.654 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -8.345 6.545 -1.742 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -4.587 5.060 -0.372 1.00 0.00 H new ATOM 0 HH TYR A 91 -6.102 5.954 0.988 1.00 0.00 H new ATOM 1368 N ILE A 92 -3.316 6.858 -4.993 1.00 0.00 N ATOM 1369 CA ILE A 92 -2.468 7.868 -4.373 1.00 0.00 C ATOM 1370 C ILE A 92 -2.588 9.197 -5.047 1.00 0.00 C ATOM 1371 O ILE A 92 -2.905 10.177 -4.394 1.00 0.00 O ATOM 1372 CB ILE A 92 -0.993 7.432 -4.406 1.00 0.00 C ATOM 1373 CG1 ILE A 92 -0.781 6.189 -3.552 1.00 0.00 C ATOM 1374 CG2 ILE A 92 -0.062 8.581 -3.989 1.00 0.00 C ATOM 1375 CD1 ILE A 92 -0.594 6.458 -2.129 1.00 0.00 C ATOM 0 H ILE A 92 -2.818 5.998 -5.221 1.00 0.00 H new ATOM 0 HA ILE A 92 -2.808 7.968 -3.342 1.00 0.00 H new ATOM 0 HB ILE A 92 -0.736 7.173 -5.433 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -1.639 5.528 -3.674 1.00 0.00 H new ATOM 0 HG13 ILE A 92 0.091 5.651 -3.925 1.00 0.00 H new ATOM 0 HG21 ILE A 92 0.973 8.241 -4.023 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -0.191 9.420 -4.673 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -0.307 8.898 -2.975 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -0.450 5.518 -1.597 1.00 0.00 H new ATOM 0 HD12 ILE A 92 0.282 7.091 -1.990 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -1.475 6.966 -1.736 1.00 0.00 H new ATOM 1387 N LYS A 93 -2.333 9.234 -6.325 1.00 0.00 N ATOM 1388 CA LYS A 93 -2.382 10.470 -7.038 1.00 0.00 C ATOM 1389 C LYS A 93 -3.759 11.082 -6.931 1.00 0.00 C ATOM 1390 O LYS A 93 -3.899 12.222 -6.476 1.00 0.00 O ATOM 1391 CB LYS A 93 -1.897 10.293 -8.481 1.00 0.00 C ATOM 1392 CG LYS A 93 -0.456 9.793 -8.521 1.00 0.00 C ATOM 1393 CD LYS A 93 0.115 9.703 -9.913 1.00 0.00 C ATOM 1394 CE LYS A 93 1.555 9.207 -9.857 1.00 0.00 C ATOM 1395 NZ LYS A 93 2.174 9.111 -11.194 1.00 0.00 N ATOM 0 H LYS A 93 -2.090 8.420 -6.890 1.00 0.00 H new ATOM 0 HA LYS A 93 -1.692 11.179 -6.581 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -2.544 9.587 -9.001 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -1.970 11.243 -9.011 1.00 0.00 H new ATOM 0 HG2 LYS A 93 0.167 10.459 -7.924 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -0.409 8.809 -8.054 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -0.488 9.026 -10.519 1.00 0.00 H new ATOM 0 HD3 LYS A 93 0.077 10.680 -10.394 1.00 0.00 H new ATOM 0 HE2 LYS A 93 2.144 9.881 -9.235 1.00 0.00 H new ATOM 0 HE3 LYS A 93 1.580 8.228 -9.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 3.152 8.769 -11.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 1.630 8.447 -11.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 2.177 10.049 -11.643 1.00 0.00 H new ATOM 1409 N LYS A 94 -4.776 10.272 -7.144 1.00 0.00 N ATOM 1410 CA LYS A 94 -6.145 10.766 -7.106 1.00 0.00 C ATOM 1411 C LYS A 94 -6.496 11.243 -5.708 1.00 0.00 C ATOM 1412 O LYS A 94 -7.269 12.204 -5.531 1.00 0.00 O ATOM 1413 CB LYS A 94 -7.130 9.703 -7.557 1.00 0.00 C ATOM 1414 CG LYS A 94 -7.018 9.320 -9.010 1.00 0.00 C ATOM 1415 CD LYS A 94 -7.996 8.218 -9.357 1.00 0.00 C ATOM 1416 CE LYS A 94 -8.074 8.020 -10.851 1.00 0.00 C ATOM 1417 NZ LYS A 94 -8.578 9.238 -11.520 1.00 0.00 N ATOM 0 H LYS A 94 -4.686 9.276 -7.344 1.00 0.00 H new ATOM 0 HA LYS A 94 -6.215 11.606 -7.798 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -6.986 8.811 -6.948 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -8.142 10.060 -7.366 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -7.210 10.192 -9.635 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -6.002 8.990 -9.226 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -7.688 7.288 -8.878 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -8.983 8.466 -8.967 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -7.087 7.768 -11.240 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -8.730 7.179 -11.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -9.003 8.982 -12.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -9.296 9.692 -10.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -7.790 9.899 -11.678 1.00 0.00 H new ATOM 1431 N TYR A 95 -5.930 10.573 -4.736 1.00 0.00 N ATOM 1432 CA TYR A 95 -6.083 10.907 -3.383 1.00 0.00 C ATOM 1433 C TYR A 95 -5.459 12.264 -3.091 1.00 0.00 C ATOM 1434 O TYR A 95 -6.105 13.134 -2.566 1.00 0.00 O ATOM 1435 CB TYR A 95 -5.440 9.815 -2.556 1.00 0.00 C ATOM 1436 CG TYR A 95 -5.337 10.145 -1.113 1.00 0.00 C ATOM 1437 CD1 TYR A 95 -6.440 10.065 -0.292 1.00 0.00 C ATOM 1438 CD2 TYR A 95 -4.149 10.593 -0.578 1.00 0.00 C ATOM 1439 CE1 TYR A 95 -6.358 10.409 1.026 1.00 0.00 C ATOM 1440 CE2 TYR A 95 -4.065 10.942 0.730 1.00 0.00 C ATOM 1441 CZ TYR A 95 -5.173 10.844 1.533 1.00 0.00 C ATOM 1442 OH TYR A 95 -5.092 11.198 2.842 1.00 0.00 O ATOM 0 H TYR A 95 -5.336 9.759 -4.892 1.00 0.00 H new ATOM 0 HA TYR A 95 -7.140 10.983 -3.129 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -6.017 8.897 -2.670 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -4.442 9.615 -2.946 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -7.382 9.726 -0.697 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -3.275 10.667 -1.207 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -7.228 10.336 1.662 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -3.130 11.296 1.138 1.00 0.00 H new ATOM 0 HH TYR A 95 -4.849 10.415 3.378 1.00 0.00 H new ATOM 1452 N MET A 96 -4.212 12.438 -3.468 1.00 0.00 N ATOM 1453 CA MET A 96 -3.490 13.668 -3.210 1.00 0.00 C ATOM 1454 C MET A 96 -4.181 14.856 -3.863 1.00 0.00 C ATOM 1455 O MET A 96 -4.090 15.987 -3.369 1.00 0.00 O ATOM 1456 CB MET A 96 -2.059 13.580 -3.661 1.00 0.00 C ATOM 1457 CG MET A 96 -1.290 12.394 -3.115 1.00 0.00 C ATOM 1458 SD MET A 96 -1.238 12.370 -1.334 1.00 0.00 S ATOM 1459 CE MET A 96 -0.453 13.932 -1.034 1.00 0.00 C ATOM 0 H MET A 96 -3.668 11.731 -3.963 1.00 0.00 H new ATOM 0 HA MET A 96 -3.490 13.818 -2.130 1.00 0.00 H new ATOM 0 HB2 MET A 96 -2.038 13.538 -4.750 1.00 0.00 H new ATOM 0 HB3 MET A 96 -1.544 14.495 -3.368 1.00 0.00 H new ATOM 0 HG2 MET A 96 -1.749 11.472 -3.474 1.00 0.00 H new ATOM 0 HG3 MET A 96 -0.272 12.416 -3.504 1.00 0.00 H new ATOM 0 HE1 MET A 96 -0.007 13.930 -0.039 1.00 0.00 H new ATOM 0 HE2 MET A 96 0.324 14.098 -1.780 1.00 0.00 H new ATOM 0 HE3 MET A 96 -1.193 14.729 -1.098 1.00 0.00 H new ATOM 1469 N GLN A 97 -4.922 14.584 -4.940 1.00 0.00 N ATOM 1470 CA GLN A 97 -5.647 15.632 -5.636 1.00 0.00 C ATOM 1471 C GLN A 97 -6.730 16.253 -4.744 1.00 0.00 C ATOM 1472 O GLN A 97 -7.203 17.346 -5.013 1.00 0.00 O ATOM 1473 CB GLN A 97 -6.274 15.152 -6.952 1.00 0.00 C ATOM 1474 CG GLN A 97 -5.340 14.390 -7.890 1.00 0.00 C ATOM 1475 CD GLN A 97 -3.972 15.022 -8.062 1.00 0.00 C ATOM 1476 OE1 GLN A 97 -3.761 15.881 -8.922 1.00 0.00 O ATOM 1477 NE2 GLN A 97 -3.022 14.536 -7.288 1.00 0.00 N ATOM 0 H GLN A 97 -5.031 13.653 -5.341 1.00 0.00 H new ATOM 0 HA GLN A 97 -4.905 16.392 -5.881 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -7.124 14.512 -6.716 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -6.666 16.019 -7.484 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -5.213 13.376 -7.511 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -5.815 14.308 -8.868 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -3.246 13.826 -6.591 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -2.063 14.870 -7.387 1.00 0.00 H new ATOM 1486 N LYS A 98 -7.122 15.553 -3.688 1.00 0.00 N ATOM 1487 CA LYS A 98 -8.164 16.055 -2.811 1.00 0.00 C ATOM 1488 C LYS A 98 -7.656 17.118 -1.864 1.00 0.00 C ATOM 1489 O LYS A 98 -8.423 17.957 -1.428 1.00 0.00 O ATOM 1490 CB LYS A 98 -8.863 14.938 -2.013 1.00 0.00 C ATOM 1491 CG LYS A 98 -8.078 14.346 -0.849 1.00 0.00 C ATOM 1492 CD LYS A 98 -8.912 14.240 0.421 1.00 0.00 C ATOM 1493 CE LYS A 98 -9.110 15.596 1.125 1.00 0.00 C ATOM 1494 NZ LYS A 98 -9.953 16.585 0.411 1.00 0.00 N ATOM 0 H LYS A 98 -6.738 14.646 -3.422 1.00 0.00 H new ATOM 0 HA LYS A 98 -8.901 16.507 -3.475 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -9.803 15.331 -1.627 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -9.114 14.131 -2.702 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -7.715 13.356 -1.125 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -7.201 14.964 -0.654 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -9.887 13.819 0.175 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -8.429 13.546 1.109 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -9.551 15.413 2.105 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -8.129 16.040 1.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -10.059 17.438 0.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -9.502 16.839 -0.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -10.890 16.173 0.226 1.00 0.00 H new ATOM 1508 N PHE A 99 -6.382 17.075 -1.527 1.00 0.00 N ATOM 1509 CA PHE A 99 -5.841 18.035 -0.568 1.00 0.00 C ATOM 1510 C PHE A 99 -5.721 19.420 -1.175 1.00 0.00 C ATOM 1511 O PHE A 99 -5.872 20.430 -0.483 1.00 0.00 O ATOM 1512 CB PHE A 99 -4.490 17.598 -0.005 1.00 0.00 C ATOM 1513 CG PHE A 99 -4.513 16.361 0.849 1.00 0.00 C ATOM 1514 CD1 PHE A 99 -5.239 16.318 2.044 1.00 0.00 C ATOM 1515 CD2 PHE A 99 -3.767 15.254 0.488 1.00 0.00 C ATOM 1516 CE1 PHE A 99 -5.217 15.181 2.842 1.00 0.00 C ATOM 1517 CE2 PHE A 99 -3.746 14.130 1.284 1.00 0.00 C ATOM 1518 CZ PHE A 99 -4.473 14.101 2.456 1.00 0.00 C ATOM 0 H PHE A 99 -5.708 16.402 -1.891 1.00 0.00 H new ATOM 0 HA PHE A 99 -6.552 18.071 0.257 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -3.806 17.431 -0.837 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -4.080 18.418 0.585 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -5.821 17.175 2.349 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -3.195 15.271 -0.428 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -5.784 15.151 3.761 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -3.160 13.271 0.991 1.00 0.00 H new ATOM 0 HZ PHE A 99 -4.454 13.216 3.075 1.00 0.00 H new ATOM 1528 N GLY A 100 -5.458 19.463 -2.450 1.00 0.00 N ATOM 1529 CA GLY A 100 -5.319 20.695 -3.127 1.00 0.00 C ATOM 1530 C GLY A 100 -3.885 20.977 -3.359 1.00 0.00 C ATOM 1531 O GLY A 100 -3.180 20.162 -3.921 1.00 0.00 O ATOM 0 H GLY A 100 -5.336 18.639 -3.038 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -5.851 20.661 -4.078 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -5.767 21.496 -2.540 1.00 0.00 H new ATOM 1535 N ALA A 101 -3.438 22.080 -2.890 1.00 0.00 N ATOM 1536 CA ALA A 101 -2.066 22.467 -3.064 1.00 0.00 C ATOM 1537 C ALA A 101 -1.176 21.780 -2.042 1.00 0.00 C ATOM 1538 O ALA A 101 -0.153 21.192 -2.392 1.00 0.00 O ATOM 1539 CB ALA A 101 -1.933 23.975 -2.968 1.00 0.00 C ATOM 0 H ALA A 101 -4.004 22.751 -2.371 1.00 0.00 H new ATOM 0 HA ALA A 101 -1.740 22.152 -4.055 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -0.889 24.257 -3.101 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -2.538 24.444 -3.744 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -2.277 24.309 -1.989 1.00 0.00 H new ATOM 1545 N VAL A 102 -1.597 21.786 -0.794 1.00 0.00 N ATOM 1546 CA VAL A 102 -0.759 21.248 0.271 1.00 0.00 C ATOM 1547 C VAL A 102 -1.496 20.098 0.924 1.00 0.00 C ATOM 1548 O VAL A 102 -2.728 20.052 0.915 1.00 0.00 O ATOM 1549 CB VAL A 102 -0.415 22.297 1.354 1.00 0.00 C ATOM 1550 CG1 VAL A 102 0.907 22.006 2.026 1.00 0.00 C ATOM 1551 CG2 VAL A 102 -0.484 23.714 0.832 1.00 0.00 C ATOM 0 H VAL A 102 -2.500 22.150 -0.489 1.00 0.00 H new ATOM 0 HA VAL A 102 0.180 20.926 -0.178 1.00 0.00 H new ATOM 0 HB VAL A 102 -1.187 22.212 2.119 1.00 0.00 H new ATOM 0 HG11 VAL A 102 1.108 22.768 2.779 1.00 0.00 H new ATOM 0 HG12 VAL A 102 0.865 21.027 2.503 1.00 0.00 H new ATOM 0 HG13 VAL A 102 1.703 22.013 1.281 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -0.234 24.409 1.633 1.00 0.00 H new ATOM 0 HG22 VAL A 102 0.224 23.835 0.012 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -1.492 23.921 0.474 1.00 0.00 H new ATOM 1561 N TYR A 103 -0.750 19.200 1.477 1.00 0.00 N ATOM 1562 CA TYR A 103 -1.257 18.049 2.128 1.00 0.00 C ATOM 1563 C TYR A 103 -1.692 18.390 3.545 1.00 0.00 C ATOM 1564 O TYR A 103 -0.880 18.588 4.441 1.00 0.00 O ATOM 1565 CB TYR A 103 -0.214 16.911 2.059 1.00 0.00 C ATOM 1566 CG TYR A 103 -0.375 15.793 3.062 1.00 0.00 C ATOM 1567 CD1 TYR A 103 -1.594 15.279 3.365 1.00 0.00 C ATOM 1568 CD2 TYR A 103 0.715 15.278 3.711 1.00 0.00 C ATOM 1569 CE1 TYR A 103 -1.743 14.298 4.293 1.00 0.00 C ATOM 1570 CE2 TYR A 103 0.581 14.276 4.638 1.00 0.00 C ATOM 1571 CZ TYR A 103 -0.648 13.796 4.931 1.00 0.00 C ATOM 1572 OH TYR A 103 -0.787 12.823 5.898 1.00 0.00 O ATOM 0 H TYR A 103 0.268 19.255 1.485 1.00 0.00 H new ATOM 0 HA TYR A 103 -2.150 17.690 1.617 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -0.244 16.480 1.058 1.00 0.00 H new ATOM 0 HB3 TYR A 103 0.777 17.347 2.189 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -2.467 15.659 2.856 1.00 0.00 H new ATOM 0 HD2 TYR A 103 1.698 15.668 3.489 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -2.727 13.917 4.525 1.00 0.00 H new ATOM 0 HE2 TYR A 103 1.453 13.873 5.131 1.00 0.00 H new ATOM 0 HH TYR A 103 0.096 12.580 6.247 1.00 0.00 H new ATOM 1582 N LYS A 104 -2.971 18.507 3.695 1.00 0.00 N ATOM 1583 CA LYS A 104 -3.606 18.760 4.965 1.00 0.00 C ATOM 1584 C LYS A 104 -4.422 17.528 5.363 1.00 0.00 C ATOM 1585 O LYS A 104 -5.573 17.408 4.981 1.00 0.00 O ATOM 1586 CB LYS A 104 -4.550 19.934 4.815 1.00 0.00 C ATOM 1587 CG LYS A 104 -3.894 21.246 4.413 1.00 0.00 C ATOM 1588 CD LYS A 104 -4.916 22.145 3.743 1.00 0.00 C ATOM 1589 CE LYS A 104 -5.229 21.622 2.343 1.00 0.00 C ATOM 1590 NZ LYS A 104 -6.484 22.156 1.788 1.00 0.00 N ATOM 0 H LYS A 104 -3.630 18.428 2.920 1.00 0.00 H new ATOM 0 HA LYS A 104 -2.852 18.976 5.722 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -5.304 19.680 4.070 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -5.073 20.082 5.760 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -3.481 21.741 5.292 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -3.063 21.055 3.734 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -5.828 22.182 4.339 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -4.533 23.164 3.683 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -4.407 21.878 1.675 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -5.288 20.534 2.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -6.579 21.858 0.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -7.289 21.793 2.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -6.471 23.195 1.838 1.00 0.00 H new ATOM 1604 N PRO A 105 -3.838 16.584 6.112 1.00 0.00 N ATOM 1605 CA PRO A 105 -4.518 15.317 6.480 1.00 0.00 C ATOM 1606 C PRO A 105 -5.758 15.541 7.350 1.00 0.00 C ATOM 1607 O PRO A 105 -6.579 14.655 7.522 1.00 0.00 O ATOM 1608 CB PRO A 105 -3.456 14.531 7.237 1.00 0.00 C ATOM 1609 CG PRO A 105 -2.458 15.545 7.661 1.00 0.00 C ATOM 1610 CD PRO A 105 -2.478 16.650 6.648 1.00 0.00 C ATOM 0 HA PRO A 105 -4.891 14.795 5.599 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -3.884 14.015 8.096 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -3.001 13.770 6.603 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -2.700 15.929 8.652 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -1.464 15.101 7.725 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -2.271 17.618 7.104 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -1.730 16.497 5.870 1.00 0.00 H new ATOM 1618 N LYS A 106 -5.848 16.706 7.954 1.00 0.00 N ATOM 1619 CA LYS A 106 -7.036 17.108 8.702 1.00 0.00 C ATOM 1620 C LYS A 106 -8.309 16.994 7.852 1.00 0.00 C ATOM 1621 O LYS A 106 -9.402 16.792 8.385 1.00 0.00 O ATOM 1622 CB LYS A 106 -6.893 18.513 9.332 1.00 0.00 C ATOM 1623 CG LYS A 106 -5.897 18.640 10.515 1.00 0.00 C ATOM 1624 CD LYS A 106 -4.432 18.409 10.120 1.00 0.00 C ATOM 1625 CE LYS A 106 -3.493 18.628 11.307 1.00 0.00 C ATOM 1626 NZ LYS A 106 -2.069 18.428 10.950 1.00 0.00 N ATOM 0 H LYS A 106 -5.105 17.405 7.945 1.00 0.00 H new ATOM 0 HA LYS A 106 -7.132 16.405 9.530 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -6.586 19.208 8.551 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -7.876 18.835 9.677 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -5.993 19.633 10.953 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -6.172 17.923 11.288 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -4.311 17.394 9.741 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -4.161 19.086 9.310 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -3.629 19.639 11.692 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -3.762 17.942 12.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -1.475 18.588 11.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -1.930 17.456 10.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -1.801 19.100 10.203 1.00 0.00 H new ATOM 1640 N GLU A 107 -8.160 17.072 6.548 1.00 0.00 N ATOM 1641 CA GLU A 107 -9.300 16.918 5.662 1.00 0.00 C ATOM 1642 C GLU A 107 -9.314 15.552 4.952 1.00 0.00 C ATOM 1643 O GLU A 107 -10.136 15.308 4.065 1.00 0.00 O ATOM 1644 CB GLU A 107 -9.367 18.045 4.673 1.00 0.00 C ATOM 1645 CG GLU A 107 -8.253 18.080 3.682 1.00 0.00 C ATOM 1646 CD GLU A 107 -8.464 19.142 2.652 1.00 0.00 C ATOM 1647 OE1 GLU A 107 -8.115 20.321 2.900 1.00 0.00 O ATOM 1648 OE2 GLU A 107 -9.012 18.837 1.584 1.00 0.00 O ATOM 0 H GLU A 107 -7.271 17.240 6.078 1.00 0.00 H new ATOM 0 HA GLU A 107 -10.194 16.955 6.285 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -10.312 17.979 4.133 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -9.377 18.988 5.219 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -7.310 18.257 4.200 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -8.170 17.110 3.193 1.00 0.00 H new ATOM 1655 N ASP A 108 -8.424 14.668 5.373 1.00 0.00 N ATOM 1656 CA ASP A 108 -8.308 13.314 4.832 1.00 0.00 C ATOM 1657 C ASP A 108 -9.599 12.527 5.060 1.00 0.00 C ATOM 1658 O ASP A 108 -10.339 12.760 6.031 1.00 0.00 O ATOM 1659 CB ASP A 108 -7.020 12.623 5.376 1.00 0.00 C ATOM 1660 CG ASP A 108 -6.907 11.107 5.213 1.00 0.00 C ATOM 1661 OD1 ASP A 108 -7.366 10.557 4.194 1.00 0.00 O ATOM 1662 OD2 ASP A 108 -6.325 10.456 6.111 1.00 0.00 O ATOM 0 H ASP A 108 -7.749 14.869 6.111 1.00 0.00 H new ATOM 0 HA ASP A 108 -8.186 13.354 3.750 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -6.161 13.079 4.884 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -6.938 12.854 6.438 1.00 0.00 H new ATOM 1667 N THR A 109 -9.841 11.631 4.165 1.00 0.00 N ATOM 1668 CA THR A 109 -11.089 10.910 4.013 1.00 0.00 C ATOM 1669 C THR A 109 -11.402 9.960 5.162 1.00 0.00 C ATOM 1670 O THR A 109 -12.571 9.668 5.434 1.00 0.00 O ATOM 1671 CB THR A 109 -11.129 10.173 2.638 1.00 0.00 C ATOM 1672 OG1 THR A 109 -12.245 9.272 2.543 1.00 0.00 O ATOM 1673 CG2 THR A 109 -9.831 9.426 2.382 1.00 0.00 C ATOM 0 H THR A 109 -9.143 11.356 3.474 1.00 0.00 H new ATOM 0 HA THR A 109 -11.879 11.660 4.041 1.00 0.00 H new ATOM 0 HB THR A 109 -11.252 10.939 1.872 1.00 0.00 H new ATOM 0 HG1 THR A 109 -12.236 8.831 1.668 1.00 0.00 H new ATOM 0 HG21 THR A 109 -9.886 8.921 1.417 1.00 0.00 H new ATOM 0 HG22 THR A 109 -9.000 10.132 2.376 1.00 0.00 H new ATOM 0 HG23 THR A 109 -9.674 8.688 3.169 1.00 0.00 H new TER 1681 THR A 109