USER MOD reduce.3.24.130724 H: found=0, std=0, add=850, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 845 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 82 SER OG : rot -70:sc= -1.26 USER MOD Set 1.2: A 98 LYS NZ :NH3+ 176:sc= 0.196 (180deg=0.178) USER MOD Set 2.1: A 49 HIS : no HD1:sc= -1.52! C(o=-0.6!,f=-6.5!) USER MOD Set 2.2: A 52 SER OG : rot 97:sc= 0.919 USER MOD Set 3.1: A 27 CYS SG : rot 150:sc= 0.109 USER MOD Set 3.2: A 30 SER OG : rot -160:sc= 0.371 USER MOD Set 3.3: A 43 LYS NZ :NH3+ -144:sc= 0.232 (180deg=-2.22!) USER MOD Single : A 1 GLY N :NH3+ -122:sc= 0.206 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 4:sc= 1.09 USER MOD Single : A 5 SER OG : rot 12:sc= 0.817 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0.098 USER MOD Single : A 15 SER OG : rot 72:sc= 0.962 USER MOD Single : A 16 TYR OH : rot 114:sc= 0.265 USER MOD Single : A 23 SER OG : rot 130:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= -0.0322 USER MOD Single : A 35 GLN : amide:sc= -0.0857 K(o=-0.086,f=-0.74) USER MOD Single : A 36 ASN :FLIP amide:sc= -0.0833 F(o=-1.4,f=-0.083) USER MOD Single : A 38 ASN : amide:sc= -0.0222 K(o=-0.022,f=-1.9!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 ASN : amide:sc= 0.375 X(o=0.37,f=-0.021) USER MOD Single : A 42 SER OG : rot -121:sc= 1.22 USER MOD Single : A 62 GLN : amide:sc= 0.738 K(o=0.74,f=-0.0057) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot -160:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -1.38 X(o=-1.4,f=-1.4) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 ASN : amide:sc= -0.632 K(o=-0.63,f=-7.4!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot 94:sc= 1.28 USER MOD Single : A 84 SER OG : rot 24:sc= 1.36 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 91 ASN : amide:sc= -0.22 K(o=-0.22,f=-7.4!) USER MOD Single : A 95 CYS SG : rot 180:sc= -0.483 USER MOD Single : A 97 GLN : amide:sc= -0.0239 X(o=-0.024,f=-0.024) USER MOD Single : A 102 MET CE :methyl 179:sc= -2.98! (180deg=-2.98!) USER MOD Single : A 107 SER OG : rot 102:sc= 0.98 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -39.398 -10.224 -12.836 1.00 0.00 N ATOM 2 CA GLY A 1 -38.461 -9.178 -13.290 1.00 0.00 C ATOM 3 C GLY A 1 -37.104 -9.402 -12.641 1.00 0.00 C ATOM 4 O GLY A 1 -36.968 -10.359 -11.885 1.00 0.00 O ATOM 0 H1 GLY A 1 -39.767 -10.740 -13.660 1.00 0.00 H new ATOM 0 H2 GLY A 1 -38.901 -10.886 -12.207 1.00 0.00 H new ATOM 0 H3 GLY A 1 -40.187 -9.784 -12.321 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -38.366 -9.205 -14.376 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -38.844 -8.192 -13.028 1.00 0.00 H new ATOM 8 N SER A 2 -36.124 -8.543 -12.917 1.00 0.00 N ATOM 9 CA SER A 2 -34.851 -8.488 -12.208 1.00 0.00 C ATOM 10 C SER A 2 -34.384 -7.029 -12.245 1.00 0.00 C ATOM 11 O SER A 2 -34.943 -6.234 -13.007 1.00 0.00 O ATOM 12 CB SER A 2 -33.846 -9.440 -12.874 1.00 0.00 C ATOM 13 OG SER A 2 -32.733 -9.623 -12.029 1.00 0.00 O ATOM 0 H SER A 2 -36.198 -7.848 -13.660 1.00 0.00 H new ATOM 0 HA SER A 2 -34.945 -8.812 -11.171 1.00 0.00 H new ATOM 0 HB2 SER A 2 -34.321 -10.400 -13.079 1.00 0.00 H new ATOM 0 HB3 SER A 2 -33.524 -9.032 -13.832 1.00 0.00 H new ATOM 0 HG SER A 2 -32.095 -10.232 -12.456 1.00 0.00 H new ATOM 19 N SER A 3 -33.402 -6.666 -11.424 1.00 0.00 N ATOM 20 CA SER A 3 -32.736 -5.368 -11.348 1.00 0.00 C ATOM 21 C SER A 3 -31.477 -5.544 -10.486 1.00 0.00 C ATOM 22 O SER A 3 -31.334 -6.573 -9.823 1.00 0.00 O ATOM 23 CB SER A 3 -33.669 -4.333 -10.699 1.00 0.00 C ATOM 24 OG SER A 3 -34.746 -4.005 -11.554 1.00 0.00 O ATOM 0 H SER A 3 -33.022 -7.322 -10.742 1.00 0.00 H new ATOM 0 HA SER A 3 -32.476 -5.015 -12.346 1.00 0.00 H new ATOM 0 HB2 SER A 3 -34.055 -4.727 -9.759 1.00 0.00 H new ATOM 0 HB3 SER A 3 -33.105 -3.432 -10.459 1.00 0.00 H new ATOM 0 HG SER A 3 -34.699 -4.554 -12.364 1.00 0.00 H new ATOM 30 N GLY A 4 -30.604 -4.534 -10.453 1.00 0.00 N ATOM 31 CA GLY A 4 -29.447 -4.484 -9.566 1.00 0.00 C ATOM 32 C GLY A 4 -28.166 -4.306 -10.370 1.00 0.00 C ATOM 33 O GLY A 4 -27.827 -5.160 -11.187 1.00 0.00 O ATOM 0 H GLY A 4 -30.686 -3.714 -11.055 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -29.558 -3.661 -8.860 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -29.391 -5.401 -8.980 1.00 0.00 H new ATOM 37 N SER A 5 -27.465 -3.187 -10.191 1.00 0.00 N ATOM 38 CA SER A 5 -26.169 -2.898 -10.797 1.00 0.00 C ATOM 39 C SER A 5 -25.498 -1.823 -9.939 1.00 0.00 C ATOM 40 O SER A 5 -25.994 -0.694 -9.897 1.00 0.00 O ATOM 41 CB SER A 5 -26.362 -2.414 -12.243 1.00 0.00 C ATOM 42 OG SER A 5 -26.848 -3.463 -13.061 1.00 0.00 O ATOM 0 H SER A 5 -27.799 -2.428 -9.596 1.00 0.00 H new ATOM 0 HA SER A 5 -25.543 -3.790 -10.835 1.00 0.00 H new ATOM 0 HB2 SER A 5 -27.061 -1.578 -12.262 1.00 0.00 H new ATOM 0 HB3 SER A 5 -25.415 -2.047 -12.638 1.00 0.00 H new ATOM 0 HG SER A 5 -27.135 -4.211 -12.497 1.00 0.00 H new ATOM 48 N SER A 6 -24.415 -2.174 -9.235 1.00 0.00 N ATOM 49 CA SER A 6 -23.744 -1.318 -8.259 1.00 0.00 C ATOM 50 C SER A 6 -22.225 -1.324 -8.519 1.00 0.00 C ATOM 51 O SER A 6 -21.436 -1.786 -7.685 1.00 0.00 O ATOM 52 CB SER A 6 -24.146 -1.774 -6.842 1.00 0.00 C ATOM 53 OG SER A 6 -24.009 -0.742 -5.880 1.00 0.00 O ATOM 0 H SER A 6 -23.972 -3.087 -9.334 1.00 0.00 H new ATOM 0 HA SER A 6 -24.056 -0.278 -8.356 1.00 0.00 H new ATOM 0 HB2 SER A 6 -25.180 -2.119 -6.855 1.00 0.00 H new ATOM 0 HB3 SER A 6 -23.530 -2.624 -6.549 1.00 0.00 H new ATOM 0 HG SER A 6 -24.277 -1.078 -4.999 1.00 0.00 H new ATOM 59 N GLY A 7 -21.799 -0.848 -9.693 1.00 0.00 N ATOM 60 CA GLY A 7 -20.404 -0.619 -10.050 1.00 0.00 C ATOM 61 C GLY A 7 -20.074 0.857 -9.844 1.00 0.00 C ATOM 62 O GLY A 7 -20.813 1.708 -10.333 1.00 0.00 O ATOM 0 H GLY A 7 -22.443 -0.604 -10.445 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -19.752 -1.240 -9.436 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -20.230 -0.902 -11.088 1.00 0.00 H new ATOM 66 N GLU A 8 -19.001 1.148 -9.099 1.00 0.00 N ATOM 67 CA GLU A 8 -18.549 2.470 -8.639 1.00 0.00 C ATOM 68 C GLU A 8 -19.704 3.432 -8.336 1.00 0.00 C ATOM 69 O GLU A 8 -20.046 4.300 -9.142 1.00 0.00 O ATOM 70 CB GLU A 8 -17.493 3.094 -9.578 1.00 0.00 C ATOM 71 CG GLU A 8 -16.161 2.334 -9.493 1.00 0.00 C ATOM 72 CD GLU A 8 -14.950 3.036 -10.125 1.00 0.00 C ATOM 73 OE1 GLU A 8 -14.968 4.257 -10.440 1.00 0.00 O ATOM 74 OE2 GLU A 8 -13.918 2.350 -10.260 1.00 0.00 O ATOM 0 H GLU A 8 -18.377 0.409 -8.776 1.00 0.00 H new ATOM 0 HA GLU A 8 -18.052 2.295 -7.685 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -17.860 3.078 -10.604 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -17.337 4.139 -9.311 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -15.939 2.143 -8.443 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -16.287 1.364 -9.974 1.00 0.00 H new ATOM 81 N HIS A 9 -20.293 3.281 -7.146 1.00 0.00 N ATOM 82 CA HIS A 9 -21.388 4.118 -6.671 1.00 0.00 C ATOM 83 C HIS A 9 -20.855 5.510 -6.319 1.00 0.00 C ATOM 84 O HIS A 9 -20.528 5.761 -5.158 1.00 0.00 O ATOM 85 CB HIS A 9 -22.100 3.427 -5.492 1.00 0.00 C ATOM 86 CG HIS A 9 -23.509 3.925 -5.312 1.00 0.00 C ATOM 87 ND1 HIS A 9 -24.624 3.332 -5.854 1.00 0.00 N ATOM 88 CD2 HIS A 9 -23.910 5.078 -4.689 1.00 0.00 C ATOM 89 CE1 HIS A 9 -25.676 4.112 -5.578 1.00 0.00 C ATOM 90 NE2 HIS A 9 -25.297 5.197 -4.877 1.00 0.00 N ATOM 0 H HIS A 9 -20.015 2.561 -6.479 1.00 0.00 H new ATOM 0 HA HIS A 9 -22.134 4.251 -7.455 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -22.115 2.350 -5.659 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -21.535 3.600 -4.576 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -23.276 5.768 -4.152 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -26.692 3.900 -5.877 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -25.897 5.954 -4.548 1.00 0.00 H new ATOM 98 N ALA A 10 -20.712 6.378 -7.325 1.00 0.00 N ATOM 99 CA ALA A 10 -20.110 7.707 -7.259 1.00 0.00 C ATOM 100 C ALA A 10 -18.825 7.720 -6.417 1.00 0.00 C ATOM 101 O ALA A 10 -18.811 8.169 -5.265 1.00 0.00 O ATOM 102 CB ALA A 10 -21.161 8.733 -6.827 1.00 0.00 C ATOM 0 H ALA A 10 -21.035 6.154 -8.266 1.00 0.00 H new ATOM 0 HA ALA A 10 -19.777 8.000 -8.255 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -20.706 9.722 -6.780 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -21.978 8.743 -7.549 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -21.549 8.465 -5.844 1.00 0.00 H new ATOM 108 N LYS A 11 -17.747 7.199 -7.010 1.00 0.00 N ATOM 109 CA LYS A 11 -16.420 7.094 -6.412 1.00 0.00 C ATOM 110 C LYS A 11 -15.902 8.463 -5.975 1.00 0.00 C ATOM 111 O LYS A 11 -16.276 9.492 -6.543 1.00 0.00 O ATOM 112 CB LYS A 11 -15.464 6.415 -7.401 1.00 0.00 C ATOM 113 CG LYS A 11 -14.171 5.966 -6.695 1.00 0.00 C ATOM 114 CD LYS A 11 -13.796 4.497 -6.902 1.00 0.00 C ATOM 115 CE LYS A 11 -14.874 3.634 -6.238 1.00 0.00 C ATOM 116 NZ LYS A 11 -14.429 2.256 -5.959 1.00 0.00 N ATOM 0 H LYS A 11 -17.780 6.825 -7.958 1.00 0.00 H new ATOM 0 HA LYS A 11 -16.482 6.480 -5.514 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -15.954 5.553 -7.853 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -15.221 7.104 -8.210 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -13.348 6.588 -7.047 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -14.276 6.151 -5.626 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -13.726 4.268 -7.965 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -12.819 4.288 -6.466 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -15.182 4.105 -5.304 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -15.752 3.601 -6.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -15.203 1.725 -5.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -14.161 1.791 -6.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -13.609 2.279 -5.320 1.00 0.00 H new ATOM 130 N GLN A 12 -15.003 8.471 -4.991 1.00 0.00 N ATOM 131 CA GLN A 12 -14.229 9.634 -4.606 1.00 0.00 C ATOM 132 C GLN A 12 -12.803 9.243 -4.205 1.00 0.00 C ATOM 133 O GLN A 12 -12.531 8.070 -3.923 1.00 0.00 O ATOM 134 CB GLN A 12 -14.994 10.408 -3.517 1.00 0.00 C ATOM 135 CG GLN A 12 -14.915 9.811 -2.106 1.00 0.00 C ATOM 136 CD GLN A 12 -15.939 10.472 -1.185 1.00 0.00 C ATOM 137 OE1 GLN A 12 -17.051 9.974 -1.012 1.00 0.00 O ATOM 138 NE2 GLN A 12 -15.604 11.590 -0.563 1.00 0.00 N ATOM 0 H GLN A 12 -14.793 7.645 -4.431 1.00 0.00 H new ATOM 0 HA GLN A 12 -14.108 10.305 -5.456 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -14.611 11.428 -3.483 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -16.042 10.471 -3.808 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -15.096 8.737 -2.149 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -13.912 9.949 -1.702 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -14.681 11.998 -0.710 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -16.269 12.044 0.064 1.00 0.00 H new ATOM 147 N ALA A 13 -11.951 10.268 -4.095 1.00 0.00 N ATOM 148 CA ALA A 13 -10.588 10.282 -3.571 1.00 0.00 C ATOM 149 C ALA A 13 -9.583 9.344 -4.257 1.00 0.00 C ATOM 150 O ALA A 13 -9.903 8.576 -5.172 1.00 0.00 O ATOM 151 CB ALA A 13 -10.632 10.093 -2.051 1.00 0.00 C ATOM 0 H ALA A 13 -12.230 11.200 -4.402 1.00 0.00 H new ATOM 0 HA ALA A 13 -10.182 11.263 -3.817 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -9.617 10.103 -1.654 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -11.206 10.903 -1.600 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -11.104 9.139 -1.816 1.00 0.00 H new ATOM 157 N SER A 14 -8.329 9.471 -3.811 1.00 0.00 N ATOM 158 CA SER A 14 -7.107 8.903 -4.358 1.00 0.00 C ATOM 159 C SER A 14 -7.115 7.376 -4.329 1.00 0.00 C ATOM 160 O SER A 14 -6.578 6.742 -3.421 1.00 0.00 O ATOM 161 CB SER A 14 -5.891 9.504 -3.630 1.00 0.00 C ATOM 162 OG SER A 14 -6.174 9.860 -2.283 1.00 0.00 O ATOM 0 H SER A 14 -8.133 10.028 -2.979 1.00 0.00 H new ATOM 0 HA SER A 14 -7.039 9.169 -5.413 1.00 0.00 H new ATOM 0 HB2 SER A 14 -5.072 8.785 -3.646 1.00 0.00 H new ATOM 0 HB3 SER A 14 -5.550 10.387 -4.170 1.00 0.00 H new ATOM 0 HG SER A 14 -5.369 10.234 -1.868 1.00 0.00 H new ATOM 168 N SER A 15 -7.691 6.780 -5.367 1.00 0.00 N ATOM 169 CA SER A 15 -7.929 5.349 -5.466 1.00 0.00 C ATOM 170 C SER A 15 -7.150 4.718 -6.630 1.00 0.00 C ATOM 171 O SER A 15 -7.141 3.498 -6.782 1.00 0.00 O ATOM 172 CB SER A 15 -9.441 5.125 -5.575 1.00 0.00 C ATOM 173 OG SER A 15 -10.158 5.823 -4.568 1.00 0.00 O ATOM 0 H SER A 15 -8.014 7.296 -6.185 1.00 0.00 H new ATOM 0 HA SER A 15 -7.558 4.847 -4.572 1.00 0.00 H new ATOM 0 HB2 SER A 15 -9.785 5.451 -6.557 1.00 0.00 H new ATOM 0 HB3 SER A 15 -9.656 4.059 -5.499 1.00 0.00 H new ATOM 0 HG SER A 15 -10.139 6.784 -4.759 1.00 0.00 H new ATOM 179 N TYR A 16 -6.464 5.532 -7.435 1.00 0.00 N ATOM 180 CA TYR A 16 -5.598 5.119 -8.530 1.00 0.00 C ATOM 181 C TYR A 16 -4.361 4.396 -7.972 1.00 0.00 C ATOM 182 O TYR A 16 -4.314 3.165 -7.970 1.00 0.00 O ATOM 183 CB TYR A 16 -5.277 6.345 -9.416 1.00 0.00 C ATOM 184 CG TYR A 16 -4.740 7.579 -8.698 1.00 0.00 C ATOM 185 CD1 TYR A 16 -5.606 8.440 -7.995 1.00 0.00 C ATOM 186 CD2 TYR A 16 -3.373 7.897 -8.773 1.00 0.00 C ATOM 187 CE1 TYR A 16 -5.105 9.572 -7.332 1.00 0.00 C ATOM 188 CE2 TYR A 16 -2.858 9.015 -8.091 1.00 0.00 C ATOM 189 CZ TYR A 16 -3.724 9.854 -7.359 1.00 0.00 C ATOM 190 OH TYR A 16 -3.277 10.991 -6.762 1.00 0.00 O ATOM 0 H TYR A 16 -6.502 6.546 -7.332 1.00 0.00 H new ATOM 0 HA TYR A 16 -6.096 4.396 -9.176 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -4.547 6.042 -10.167 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -6.184 6.628 -9.949 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -6.664 8.227 -7.966 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -2.711 7.277 -9.360 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -5.779 10.228 -6.801 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -1.800 9.231 -8.128 1.00 0.00 H new ATOM 0 HH TYR A 16 -2.719 10.758 -5.991 1.00 0.00 H new ATOM 200 N ILE A 17 -3.410 5.150 -7.414 1.00 0.00 N ATOM 201 CA ILE A 17 -2.021 4.776 -7.139 1.00 0.00 C ATOM 202 C ILE A 17 -1.281 4.408 -8.438 1.00 0.00 C ATOM 203 O ILE A 17 -1.473 3.314 -8.971 1.00 0.00 O ATOM 204 CB ILE A 17 -1.859 3.725 -6.023 1.00 0.00 C ATOM 205 CG1 ILE A 17 -2.568 4.132 -4.717 1.00 0.00 C ATOM 206 CG2 ILE A 17 -0.362 3.461 -5.764 1.00 0.00 C ATOM 207 CD1 ILE A 17 -2.155 5.499 -4.158 1.00 0.00 C ATOM 0 H ILE A 17 -3.606 6.107 -7.122 1.00 0.00 H new ATOM 0 HA ILE A 17 -1.538 5.663 -6.729 1.00 0.00 H new ATOM 0 HB ILE A 17 -2.339 2.809 -6.368 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -3.644 4.137 -4.891 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -2.371 3.372 -3.961 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -0.255 2.717 -4.974 1.00 0.00 H new ATOM 0 HG22 ILE A 17 0.105 3.091 -6.677 1.00 0.00 H new ATOM 0 HG23 ILE A 17 0.123 4.388 -5.458 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -2.706 5.698 -3.239 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -1.086 5.498 -3.947 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -2.379 6.274 -4.891 1.00 0.00 H new ATOM 219 N PRO A 18 -0.430 5.320 -8.936 1.00 0.00 N ATOM 220 CA PRO A 18 0.262 5.189 -10.207 1.00 0.00 C ATOM 221 C PRO A 18 1.487 4.288 -10.066 1.00 0.00 C ATOM 222 O PRO A 18 2.530 4.720 -9.573 1.00 0.00 O ATOM 223 CB PRO A 18 0.629 6.630 -10.577 1.00 0.00 C ATOM 224 CG PRO A 18 0.921 7.262 -9.210 1.00 0.00 C ATOM 225 CD PRO A 18 -0.063 6.577 -8.293 1.00 0.00 C ATOM 0 HA PRO A 18 -0.342 4.718 -10.982 1.00 0.00 H new ATOM 0 HB2 PRO A 18 1.496 6.671 -11.236 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -0.187 7.137 -11.092 1.00 0.00 H new ATOM 0 HG2 PRO A 18 1.951 7.087 -8.898 1.00 0.00 H new ATOM 0 HG3 PRO A 18 0.772 8.342 -9.226 1.00 0.00 H new ATOM 0 HD2 PRO A 18 0.381 6.396 -7.314 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -0.942 7.201 -8.133 1.00 0.00 H new ATOM 233 N LEU A 19 1.385 3.039 -10.522 1.00 0.00 N ATOM 234 CA LEU A 19 2.491 2.086 -10.461 1.00 0.00 C ATOM 235 C LEU A 19 3.746 2.638 -11.140 1.00 0.00 C ATOM 236 O LEU A 19 4.852 2.421 -10.654 1.00 0.00 O ATOM 237 CB LEU A 19 2.077 0.733 -11.074 1.00 0.00 C ATOM 238 CG LEU A 19 1.138 -0.084 -10.164 1.00 0.00 C ATOM 239 CD1 LEU A 19 0.623 -1.349 -10.855 1.00 0.00 C ATOM 240 CD2 LEU A 19 1.866 -0.531 -8.900 1.00 0.00 C ATOM 0 H LEU A 19 0.536 2.662 -10.942 1.00 0.00 H new ATOM 0 HA LEU A 19 2.735 1.925 -9.411 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.583 0.910 -12.029 1.00 0.00 H new ATOM 0 HB3 LEU A 19 2.972 0.147 -11.282 1.00 0.00 H new ATOM 0 HG LEU A 19 0.302 0.574 -9.926 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.034 -1.892 -10.176 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.070 -1.074 -11.753 1.00 0.00 H new ATOM 0 HD13 LEU A 19 1.466 -1.983 -11.129 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.185 -1.106 -8.272 1.00 0.00 H new ATOM 0 HD22 LEU A 19 2.720 -1.151 -9.172 1.00 0.00 H new ATOM 0 HD23 LEU A 19 2.214 0.344 -8.351 1.00 0.00 H new ATOM 252 N ASP A 20 3.601 3.402 -12.221 1.00 0.00 N ATOM 253 CA ASP A 20 4.738 3.957 -12.955 1.00 0.00 C ATOM 254 C ASP A 20 5.436 5.118 -12.236 1.00 0.00 C ATOM 255 O ASP A 20 6.517 5.533 -12.645 1.00 0.00 O ATOM 256 CB ASP A 20 4.248 4.368 -14.338 1.00 0.00 C ATOM 257 CG ASP A 20 5.345 4.670 -15.353 1.00 0.00 C ATOM 258 OD1 ASP A 20 6.490 4.187 -15.203 1.00 0.00 O ATOM 259 OD2 ASP A 20 5.007 5.349 -16.354 1.00 0.00 O ATOM 0 H ASP A 20 2.694 3.654 -12.613 1.00 0.00 H new ATOM 0 HA ASP A 20 5.505 3.186 -13.030 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.618 3.571 -14.734 1.00 0.00 H new ATOM 0 HB3 ASP A 20 3.618 5.251 -14.235 1.00 0.00 H new ATOM 264 N ARG A 21 4.868 5.669 -11.158 1.00 0.00 N ATOM 265 CA ARG A 21 5.587 6.635 -10.319 1.00 0.00 C ATOM 266 C ARG A 21 6.378 5.922 -9.222 1.00 0.00 C ATOM 267 O ARG A 21 7.237 6.567 -8.613 1.00 0.00 O ATOM 268 CB ARG A 21 4.608 7.644 -9.709 1.00 0.00 C ATOM 269 CG ARG A 21 3.990 8.589 -10.762 1.00 0.00 C ATOM 270 CD ARG A 21 4.053 10.082 -10.377 1.00 0.00 C ATOM 271 NE ARG A 21 4.768 10.909 -11.368 1.00 0.00 N ATOM 272 CZ ARG A 21 5.042 12.216 -11.222 1.00 0.00 C ATOM 273 NH1 ARG A 21 4.414 12.958 -10.318 1.00 0.00 N ATOM 274 NH2 ARG A 21 5.944 12.816 -11.986 1.00 0.00 N ATOM 0 H ARG A 21 3.918 5.465 -10.847 1.00 0.00 H new ATOM 0 HA ARG A 21 6.295 7.175 -10.949 1.00 0.00 H new ATOM 0 HB2 ARG A 21 3.810 7.106 -9.198 1.00 0.00 H new ATOM 0 HB3 ARG A 21 5.127 8.237 -8.955 1.00 0.00 H new ATOM 0 HG2 ARG A 21 4.507 8.447 -11.711 1.00 0.00 H new ATOM 0 HG3 ARG A 21 2.949 8.309 -10.921 1.00 0.00 H new ATOM 0 HD2 ARG A 21 3.039 10.463 -10.260 1.00 0.00 H new ATOM 0 HD3 ARG A 21 4.545 10.180 -9.409 1.00 0.00 H new ATOM 0 HE ARG A 21 5.077 10.455 -12.227 1.00 0.00 H new ATOM 0 HH11 ARG A 21 3.706 12.538 -9.716 1.00 0.00 H new ATOM 0 HH12 ARG A 21 4.639 13.949 -10.226 1.00 0.00 H new ATOM 0 HH21 ARG A 21 6.443 12.284 -12.699 1.00 0.00 H new ATOM 0 HH22 ARG A 21 6.139 13.809 -11.861 1.00 0.00 H new ATOM 288 N LEU A 22 6.094 4.654 -8.908 1.00 0.00 N ATOM 289 CA LEU A 22 6.730 3.961 -7.789 1.00 0.00 C ATOM 290 C LEU A 22 7.867 3.082 -8.305 1.00 0.00 C ATOM 291 O LEU A 22 8.041 2.898 -9.509 1.00 0.00 O ATOM 292 CB LEU A 22 5.730 3.124 -6.960 1.00 0.00 C ATOM 293 CG LEU A 22 4.340 3.723 -6.696 1.00 0.00 C ATOM 294 CD1 LEU A 22 3.468 2.757 -5.887 1.00 0.00 C ATOM 295 CD2 LEU A 22 4.369 5.073 -5.982 1.00 0.00 C ATOM 0 H LEU A 22 5.421 4.084 -9.420 1.00 0.00 H new ATOM 0 HA LEU A 22 7.129 4.722 -7.118 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.592 2.169 -7.467 1.00 0.00 H new ATOM 0 HB3 LEU A 22 6.191 2.910 -5.996 1.00 0.00 H new ATOM 0 HG LEU A 22 3.914 3.887 -7.686 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.490 3.207 -5.715 1.00 0.00 H new ATOM 0 HD12 LEU A 22 3.347 1.826 -6.440 1.00 0.00 H new ATOM 0 HD13 LEU A 22 3.946 2.550 -4.929 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.349 5.428 -5.833 1.00 0.00 H new ATOM 0 HD22 LEU A 22 4.860 4.963 -5.015 1.00 0.00 H new ATOM 0 HD23 LEU A 22 4.919 5.793 -6.588 1.00 0.00 H new ATOM 307 N SER A 23 8.605 2.492 -7.377 1.00 0.00 N ATOM 308 CA SER A 23 9.701 1.573 -7.620 1.00 0.00 C ATOM 309 C SER A 23 9.234 0.211 -7.120 1.00 0.00 C ATOM 310 O SER A 23 9.472 -0.150 -5.969 1.00 0.00 O ATOM 311 CB SER A 23 10.973 2.085 -6.927 1.00 0.00 C ATOM 312 OG SER A 23 12.058 1.195 -7.132 1.00 0.00 O ATOM 0 H SER A 23 8.445 2.651 -6.382 1.00 0.00 H new ATOM 0 HA SER A 23 9.962 1.492 -8.675 1.00 0.00 H new ATOM 0 HB2 SER A 23 11.230 3.072 -7.313 1.00 0.00 H new ATOM 0 HB3 SER A 23 10.788 2.199 -5.859 1.00 0.00 H new ATOM 0 HG SER A 23 12.838 1.697 -7.448 1.00 0.00 H new ATOM 318 N ILE A 24 8.516 -0.520 -7.971 1.00 0.00 N ATOM 319 CA ILE A 24 8.046 -1.875 -7.721 1.00 0.00 C ATOM 320 C ILE A 24 9.253 -2.788 -7.865 1.00 0.00 C ATOM 321 O ILE A 24 9.999 -2.701 -8.842 1.00 0.00 O ATOM 322 CB ILE A 24 6.900 -2.222 -8.710 1.00 0.00 C ATOM 323 CG1 ILE A 24 5.628 -1.409 -8.421 1.00 0.00 C ATOM 324 CG2 ILE A 24 6.520 -3.697 -8.648 1.00 0.00 C ATOM 325 CD1 ILE A 24 5.612 -0.060 -9.122 1.00 0.00 C ATOM 0 H ILE A 24 8.237 -0.168 -8.887 1.00 0.00 H new ATOM 0 HA ILE A 24 7.627 -1.993 -6.722 1.00 0.00 H new ATOM 0 HB ILE A 24 7.287 -1.976 -9.699 1.00 0.00 H new ATOM 0 HG12 ILE A 24 4.757 -1.985 -8.733 1.00 0.00 H new ATOM 0 HG13 ILE A 24 5.539 -1.254 -7.346 1.00 0.00 H new ATOM 0 HG21 ILE A 24 5.715 -3.895 -9.356 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.386 -4.307 -8.904 1.00 0.00 H new ATOM 0 HG23 ILE A 24 6.186 -3.945 -7.640 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.689 0.466 -8.878 1.00 0.00 H new ATOM 0 HD12 ILE A 24 6.465 0.532 -8.791 1.00 0.00 H new ATOM 0 HD13 ILE A 24 5.671 -0.209 -10.200 1.00 0.00 H new ATOM 337 N SER A 25 9.430 -3.663 -6.888 1.00 0.00 N ATOM 338 CA SER A 25 10.450 -4.684 -6.874 1.00 0.00 C ATOM 339 C SER A 25 9.851 -5.968 -6.315 1.00 0.00 C ATOM 340 O SER A 25 9.539 -6.073 -5.131 1.00 0.00 O ATOM 341 CB SER A 25 11.599 -4.165 -5.999 1.00 0.00 C ATOM 342 OG SER A 25 12.679 -5.077 -5.911 1.00 0.00 O ATOM 0 H SER A 25 8.842 -3.677 -6.055 1.00 0.00 H new ATOM 0 HA SER A 25 10.828 -4.902 -7.873 1.00 0.00 H new ATOM 0 HB2 SER A 25 11.960 -3.220 -6.405 1.00 0.00 H new ATOM 0 HB3 SER A 25 11.222 -3.958 -4.997 1.00 0.00 H new ATOM 0 HG SER A 25 13.383 -4.697 -5.345 1.00 0.00 H new ATOM 348 N TYR A 26 9.759 -6.999 -7.147 1.00 0.00 N ATOM 349 CA TYR A 26 9.418 -8.337 -6.695 1.00 0.00 C ATOM 350 C TYR A 26 10.659 -9.111 -6.261 1.00 0.00 C ATOM 351 O TYR A 26 11.734 -8.983 -6.854 1.00 0.00 O ATOM 352 CB TYR A 26 8.686 -9.056 -7.811 1.00 0.00 C ATOM 353 CG TYR A 26 7.528 -8.275 -8.395 1.00 0.00 C ATOM 354 CD1 TYR A 26 6.830 -7.307 -7.635 1.00 0.00 C ATOM 355 CD2 TYR A 26 7.132 -8.532 -9.717 1.00 0.00 C ATOM 356 CE1 TYR A 26 5.748 -6.646 -8.190 1.00 0.00 C ATOM 357 CE2 TYR A 26 6.057 -7.835 -10.285 1.00 0.00 C ATOM 358 CZ TYR A 26 5.341 -6.896 -9.515 1.00 0.00 C ATOM 359 OH TYR A 26 4.278 -6.239 -10.045 1.00 0.00 O ATOM 0 H TYR A 26 9.919 -6.928 -8.152 1.00 0.00 H new ATOM 0 HA TYR A 26 8.770 -8.267 -5.821 1.00 0.00 H new ATOM 0 HB2 TYR A 26 9.394 -9.284 -8.607 1.00 0.00 H new ATOM 0 HB3 TYR A 26 8.314 -10.008 -7.432 1.00 0.00 H new ATOM 0 HD1 TYR A 26 7.141 -7.085 -6.625 1.00 0.00 H new ATOM 0 HD2 TYR A 26 7.659 -9.272 -10.300 1.00 0.00 H new ATOM 0 HE1 TYR A 26 5.206 -5.925 -7.596 1.00 0.00 H new ATOM 0 HE2 TYR A 26 5.777 -8.017 -11.312 1.00 0.00 H new ATOM 0 HH TYR A 26 4.139 -6.534 -10.969 1.00 0.00 H new ATOM 369 N CYS A 27 10.506 -9.937 -5.229 1.00 0.00 N ATOM 370 CA CYS A 27 11.592 -10.434 -4.392 1.00 0.00 C ATOM 371 C CYS A 27 11.240 -11.820 -3.826 1.00 0.00 C ATOM 372 O CYS A 27 10.158 -12.340 -4.094 1.00 0.00 O ATOM 373 CB CYS A 27 11.767 -9.403 -3.262 1.00 0.00 C ATOM 374 SG CYS A 27 13.438 -8.716 -3.188 1.00 0.00 S ATOM 0 H CYS A 27 9.592 -10.290 -4.944 1.00 0.00 H new ATOM 0 HA CYS A 27 12.515 -10.551 -4.959 1.00 0.00 H new ATOM 0 HB2 CYS A 27 11.052 -8.592 -3.403 1.00 0.00 H new ATOM 0 HB3 CYS A 27 11.531 -9.874 -2.308 1.00 0.00 H new ATOM 0 HG CYS A 27 13.388 -7.501 -2.728 1.00 0.00 H new ATOM 380 N ARG A 28 12.139 -12.395 -3.021 1.00 0.00 N ATOM 381 CA ARG A 28 11.920 -13.626 -2.266 1.00 0.00 C ATOM 382 C ARG A 28 10.936 -13.389 -1.116 1.00 0.00 C ATOM 383 O ARG A 28 9.783 -13.777 -1.269 1.00 0.00 O ATOM 384 CB ARG A 28 13.274 -14.198 -1.804 1.00 0.00 C ATOM 385 CG ARG A 28 13.132 -15.478 -0.967 1.00 0.00 C ATOM 386 CD ARG A 28 14.396 -15.815 -0.166 1.00 0.00 C ATOM 387 NE ARG A 28 15.307 -16.720 -0.882 1.00 0.00 N ATOM 388 CZ ARG A 28 15.308 -18.055 -0.794 1.00 0.00 C ATOM 389 NH1 ARG A 28 14.324 -18.711 -0.186 1.00 0.00 N ATOM 390 NH2 ARG A 28 16.306 -18.741 -1.338 1.00 0.00 N ATOM 0 H ARG A 28 13.068 -12.001 -2.874 1.00 0.00 H new ATOM 0 HA ARG A 28 11.457 -14.377 -2.906 1.00 0.00 H new ATOM 0 HB2 ARG A 28 13.890 -14.409 -2.678 1.00 0.00 H new ATOM 0 HB3 ARG A 28 13.800 -13.444 -1.218 1.00 0.00 H new ATOM 0 HG2 ARG A 28 12.293 -15.365 -0.280 1.00 0.00 H new ATOM 0 HG3 ARG A 28 12.894 -16.312 -1.627 1.00 0.00 H new ATOM 0 HD2 ARG A 28 14.924 -14.892 0.074 1.00 0.00 H new ATOM 0 HD3 ARG A 28 14.108 -16.273 0.780 1.00 0.00 H new ATOM 0 HE ARG A 28 15.998 -16.293 -1.499 1.00 0.00 H new ATOM 0 HH11 ARG A 28 13.546 -18.196 0.226 1.00 0.00 H new ATOM 0 HH12 ARG A 28 14.347 -19.729 -0.132 1.00 0.00 H new ATOM 0 HH21 ARG A 28 17.061 -18.250 -1.817 1.00 0.00 H new ATOM 0 HH22 ARG A 28 16.318 -19.759 -1.277 1.00 0.00 H new ATOM 404 N SER A 29 11.372 -12.799 0.012 1.00 0.00 N ATOM 405 CA SER A 29 10.570 -12.630 1.236 1.00 0.00 C ATOM 406 C SER A 29 11.321 -11.911 2.374 1.00 0.00 C ATOM 407 O SER A 29 11.467 -12.458 3.465 1.00 0.00 O ATOM 408 CB SER A 29 9.972 -13.973 1.710 1.00 0.00 C ATOM 409 OG SER A 29 10.912 -15.044 1.790 1.00 0.00 O ATOM 0 H SER A 29 12.314 -12.418 0.099 1.00 0.00 H new ATOM 0 HA SER A 29 9.747 -11.969 0.963 1.00 0.00 H new ATOM 0 HB2 SER A 29 9.520 -13.829 2.691 1.00 0.00 H new ATOM 0 HB3 SER A 29 9.171 -14.260 1.029 1.00 0.00 H new ATOM 0 HG SER A 29 10.458 -15.856 2.098 1.00 0.00 H new ATOM 415 N SER A 30 11.807 -10.686 2.148 1.00 0.00 N ATOM 416 CA SER A 30 12.509 -9.898 3.172 1.00 0.00 C ATOM 417 C SER A 30 11.644 -9.496 4.386 1.00 0.00 C ATOM 418 O SER A 30 12.199 -9.057 5.395 1.00 0.00 O ATOM 419 CB SER A 30 13.116 -8.631 2.547 1.00 0.00 C ATOM 420 OG SER A 30 13.634 -8.884 1.249 1.00 0.00 O ATOM 0 H SER A 30 11.726 -10.210 1.249 1.00 0.00 H new ATOM 0 HA SER A 30 13.286 -10.561 3.554 1.00 0.00 H new ATOM 0 HB2 SER A 30 12.355 -7.852 2.490 1.00 0.00 H new ATOM 0 HB3 SER A 30 13.911 -8.253 3.189 1.00 0.00 H new ATOM 0 HG SER A 30 14.276 -8.183 1.010 1.00 0.00 H new ATOM 426 N GLY A 31 10.316 -9.623 4.304 1.00 0.00 N ATOM 427 CA GLY A 31 9.394 -9.430 5.418 1.00 0.00 C ATOM 428 C GLY A 31 9.360 -10.693 6.285 1.00 0.00 C ATOM 429 O GLY A 31 10.344 -11.439 6.315 1.00 0.00 O ATOM 0 H GLY A 31 9.843 -9.870 3.434 1.00 0.00 H new ATOM 0 HA2 GLY A 31 9.706 -8.574 6.017 1.00 0.00 H new ATOM 0 HA3 GLY A 31 8.395 -9.208 5.042 1.00 0.00 H new ATOM 433 N PRO A 32 8.265 -10.962 7.014 1.00 0.00 N ATOM 434 CA PRO A 32 8.075 -12.270 7.616 1.00 0.00 C ATOM 435 C PRO A 32 7.949 -13.318 6.506 1.00 0.00 C ATOM 436 O PRO A 32 7.506 -13.016 5.393 1.00 0.00 O ATOM 437 CB PRO A 32 6.838 -12.149 8.504 1.00 0.00 C ATOM 438 CG PRO A 32 6.058 -10.951 7.952 1.00 0.00 C ATOM 439 CD PRO A 32 7.062 -10.151 7.116 1.00 0.00 C ATOM 0 HA PRO A 32 8.914 -12.596 8.231 1.00 0.00 H new ATOM 0 HB2 PRO A 32 6.238 -13.059 8.469 1.00 0.00 H new ATOM 0 HB3 PRO A 32 7.116 -11.991 9.546 1.00 0.00 H new ATOM 0 HG2 PRO A 32 5.216 -11.279 7.343 1.00 0.00 H new ATOM 0 HG3 PRO A 32 5.650 -10.344 8.760 1.00 0.00 H new ATOM 0 HD2 PRO A 32 6.657 -9.935 6.128 1.00 0.00 H new ATOM 0 HD3 PRO A 32 7.281 -9.193 7.587 1.00 0.00 H new ATOM 447 N GLY A 33 8.364 -14.549 6.796 1.00 0.00 N ATOM 448 CA GLY A 33 8.575 -15.554 5.768 1.00 0.00 C ATOM 449 C GLY A 33 8.388 -16.968 6.291 1.00 0.00 C ATOM 450 O GLY A 33 9.065 -17.865 5.787 1.00 0.00 O ATOM 0 H GLY A 33 8.561 -14.872 7.743 1.00 0.00 H new ATOM 0 HA2 GLY A 33 7.881 -15.379 4.946 1.00 0.00 H new ATOM 0 HA3 GLY A 33 9.582 -15.450 5.363 1.00 0.00 H new ATOM 454 N GLY A 34 7.509 -17.158 7.279 1.00 0.00 N ATOM 455 CA GLY A 34 7.145 -18.441 7.875 1.00 0.00 C ATOM 456 C GLY A 34 5.673 -18.754 7.634 1.00 0.00 C ATOM 457 O GLY A 34 4.982 -19.203 8.544 1.00 0.00 O ATOM 0 H GLY A 34 7.007 -16.379 7.705 1.00 0.00 H new ATOM 0 HA2 GLY A 34 7.763 -19.232 7.451 1.00 0.00 H new ATOM 0 HA3 GLY A 34 7.346 -18.419 8.946 1.00 0.00 H new ATOM 461 N GLN A 35 5.182 -18.474 6.426 1.00 0.00 N ATOM 462 CA GLN A 35 3.812 -18.697 6.006 1.00 0.00 C ATOM 463 C GLN A 35 3.794 -19.147 4.553 1.00 0.00 C ATOM 464 O GLN A 35 3.573 -18.328 3.663 1.00 0.00 O ATOM 465 CB GLN A 35 2.988 -17.411 6.146 1.00 0.00 C ATOM 466 CG GLN A 35 2.549 -17.102 7.583 1.00 0.00 C ATOM 467 CD GLN A 35 1.542 -18.120 8.116 1.00 0.00 C ATOM 468 OE1 GLN A 35 0.711 -18.632 7.364 1.00 0.00 O ATOM 469 NE2 GLN A 35 1.557 -18.407 9.402 1.00 0.00 N ATOM 0 H GLN A 35 5.758 -18.069 5.688 1.00 0.00 H new ATOM 0 HA GLN A 35 3.374 -19.467 6.641 1.00 0.00 H new ATOM 0 HB2 GLN A 35 3.575 -16.573 5.769 1.00 0.00 H new ATOM 0 HB3 GLN A 35 2.102 -17.489 5.516 1.00 0.00 H new ATOM 0 HG2 GLN A 35 3.424 -17.087 8.232 1.00 0.00 H new ATOM 0 HG3 GLN A 35 2.108 -16.106 7.619 1.00 0.00 H new ATOM 0 HE21 GLN A 35 2.251 -17.976 10.013 1.00 0.00 H new ATOM 0 HE22 GLN A 35 0.875 -19.061 9.787 1.00 0.00 H new ATOM 478 N ASN A 36 3.948 -20.445 4.282 1.00 0.00 N ATOM 479 CA ASN A 36 3.771 -21.044 2.947 1.00 0.00 C ATOM 480 C ASN A 36 4.882 -20.644 1.965 1.00 0.00 C ATOM 481 O ASN A 36 4.881 -21.080 0.810 1.00 0.00 O ATOM 482 CB ASN A 36 2.406 -20.687 2.313 1.00 0.00 C ATOM 483 CG ASN A 36 1.209 -20.866 3.228 1.00 0.00 C ATOM 484 OD1 ASN A 36 0.911 -19.875 4.053 1.00 0.00 O flip ATOM 485 ND2 ASN A 36 0.507 -21.870 3.158 1.00 0.00 N flip ATOM 0 H ASN A 36 4.204 -21.127 4.996 1.00 0.00 H new ATOM 0 HA ASN A 36 3.818 -22.119 3.119 1.00 0.00 H new ATOM 0 HB2 ASN A 36 2.437 -19.650 1.979 1.00 0.00 H new ATOM 0 HB3 ASN A 36 2.262 -21.303 1.426 1.00 0.00 H new ATOM 0 HD21 ASN A 36 0.755 -22.622 2.515 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -0.325 -21.953 3.743 1.00 0.00 H new ATOM 492 N VAL A 37 5.836 -19.820 2.384 1.00 0.00 N ATOM 493 CA VAL A 37 6.991 -19.344 1.631 1.00 0.00 C ATOM 494 C VAL A 37 8.141 -20.369 1.757 1.00 0.00 C ATOM 495 O VAL A 37 9.289 -20.030 2.059 1.00 0.00 O ATOM 496 CB VAL A 37 7.374 -17.915 2.103 1.00 0.00 C ATOM 497 CG1 VAL A 37 8.058 -17.165 0.957 1.00 0.00 C ATOM 498 CG2 VAL A 37 6.193 -17.045 2.580 1.00 0.00 C ATOM 0 H VAL A 37 5.821 -19.439 3.330 1.00 0.00 H new ATOM 0 HA VAL A 37 6.757 -19.262 0.570 1.00 0.00 H new ATOM 0 HB VAL A 37 8.027 -18.069 2.962 1.00 0.00 H new ATOM 0 HG11 VAL A 37 8.327 -16.162 1.288 1.00 0.00 H new ATOM 0 HG12 VAL A 37 8.958 -17.702 0.657 1.00 0.00 H new ATOM 0 HG13 VAL A 37 7.377 -17.097 0.109 1.00 0.00 H new ATOM 0 HG21 VAL A 37 6.563 -16.067 2.889 1.00 0.00 H new ATOM 0 HG22 VAL A 37 5.479 -16.923 1.766 1.00 0.00 H new ATOM 0 HG23 VAL A 37 5.701 -17.530 3.424 1.00 0.00 H new ATOM 508 N ASN A 38 7.836 -21.658 1.558 1.00 0.00 N ATOM 509 CA ASN A 38 8.831 -22.732 1.525 1.00 0.00 C ATOM 510 C ASN A 38 9.737 -22.494 0.321 1.00 0.00 C ATOM 511 O ASN A 38 10.891 -22.109 0.494 1.00 0.00 O ATOM 512 CB ASN A 38 8.213 -24.144 1.484 1.00 0.00 C ATOM 513 CG ASN A 38 7.336 -24.466 2.689 1.00 0.00 C ATOM 514 OD1 ASN A 38 6.410 -23.726 3.009 1.00 0.00 O ATOM 515 ND2 ASN A 38 7.548 -25.591 3.342 1.00 0.00 N ATOM 0 H ASN A 38 6.881 -21.985 1.414 1.00 0.00 H new ATOM 0 HA ASN A 38 9.400 -22.701 2.454 1.00 0.00 H new ATOM 0 HB2 ASN A 38 7.618 -24.244 0.576 1.00 0.00 H new ATOM 0 HB3 ASN A 38 9.015 -24.880 1.423 1.00 0.00 H new ATOM 0 HD21 ASN A 38 6.941 -25.852 4.119 1.00 0.00 H new ATOM 0 HD22 ASN A 38 8.319 -26.201 3.070 1.00 0.00 H new ATOM 522 N LYS A 39 9.197 -22.656 -0.895 1.00 0.00 N ATOM 523 CA LYS A 39 9.885 -22.327 -2.148 1.00 0.00 C ATOM 524 C LYS A 39 9.283 -21.127 -2.837 1.00 0.00 C ATOM 525 O LYS A 39 9.935 -20.557 -3.707 1.00 0.00 O ATOM 526 CB LYS A 39 9.897 -23.531 -3.104 1.00 0.00 C ATOM 527 CG LYS A 39 8.633 -23.786 -3.945 1.00 0.00 C ATOM 528 CD LYS A 39 8.614 -23.114 -5.337 1.00 0.00 C ATOM 529 CE LYS A 39 8.903 -24.147 -6.432 1.00 0.00 C ATOM 530 NZ LYS A 39 8.781 -23.610 -7.803 1.00 0.00 N ATOM 0 H LYS A 39 8.256 -23.025 -1.036 1.00 0.00 H new ATOM 0 HA LYS A 39 10.911 -22.074 -1.881 1.00 0.00 H new ATOM 0 HB2 LYS A 39 10.737 -23.408 -3.788 1.00 0.00 H new ATOM 0 HB3 LYS A 39 10.094 -24.426 -2.514 1.00 0.00 H new ATOM 0 HG2 LYS A 39 8.517 -24.862 -4.078 1.00 0.00 H new ATOM 0 HG3 LYS A 39 7.767 -23.440 -3.382 1.00 0.00 H new ATOM 0 HD2 LYS A 39 7.643 -22.652 -5.512 1.00 0.00 H new ATOM 0 HD3 LYS A 39 9.357 -22.318 -5.374 1.00 0.00 H new ATOM 0 HE2 LYS A 39 9.911 -24.538 -6.293 1.00 0.00 H new ATOM 0 HE3 LYS A 39 8.217 -24.986 -6.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 8.990 -24.362 -8.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 7.813 -23.262 -7.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 9.454 -22.828 -7.931 1.00 0.00 H new ATOM 544 N VAL A 40 8.023 -20.811 -2.539 1.00 0.00 N ATOM 545 CA VAL A 40 7.240 -19.912 -3.359 1.00 0.00 C ATOM 546 C VAL A 40 7.817 -18.502 -3.184 1.00 0.00 C ATOM 547 O VAL A 40 7.518 -17.806 -2.218 1.00 0.00 O ATOM 548 CB VAL A 40 5.739 -20.052 -3.010 1.00 0.00 C ATOM 549 CG1 VAL A 40 4.828 -18.940 -3.551 1.00 0.00 C ATOM 550 CG2 VAL A 40 5.200 -21.374 -3.586 1.00 0.00 C ATOM 0 H VAL A 40 7.526 -21.173 -1.725 1.00 0.00 H new ATOM 0 HA VAL A 40 7.302 -20.155 -4.420 1.00 0.00 H new ATOM 0 HB VAL A 40 5.708 -20.001 -1.922 1.00 0.00 H new ATOM 0 HG11 VAL A 40 3.799 -19.134 -3.250 1.00 0.00 H new ATOM 0 HG12 VAL A 40 5.149 -17.979 -3.149 1.00 0.00 H new ATOM 0 HG13 VAL A 40 4.889 -18.916 -4.639 1.00 0.00 H new ATOM 0 HG21 VAL A 40 4.143 -21.474 -3.341 1.00 0.00 H new ATOM 0 HG22 VAL A 40 5.323 -21.376 -4.669 1.00 0.00 H new ATOM 0 HG23 VAL A 40 5.752 -22.210 -3.157 1.00 0.00 H new ATOM 560 N ASN A 41 8.718 -18.106 -4.081 1.00 0.00 N ATOM 561 CA ASN A 41 9.467 -16.862 -4.001 1.00 0.00 C ATOM 562 C ASN A 41 8.573 -15.751 -4.531 1.00 0.00 C ATOM 563 O ASN A 41 8.635 -15.414 -5.721 1.00 0.00 O ATOM 564 CB ASN A 41 10.758 -16.968 -4.826 1.00 0.00 C ATOM 565 CG ASN A 41 11.976 -17.433 -4.055 1.00 0.00 C ATOM 566 OD1 ASN A 41 13.050 -16.877 -4.261 1.00 0.00 O ATOM 567 ND2 ASN A 41 11.890 -18.457 -3.229 1.00 0.00 N ATOM 0 H ASN A 41 8.951 -18.660 -4.905 1.00 0.00 H new ATOM 0 HA ASN A 41 9.754 -16.649 -2.971 1.00 0.00 H new ATOM 0 HB2 ASN A 41 10.587 -17.656 -5.654 1.00 0.00 H new ATOM 0 HB3 ASN A 41 10.974 -15.992 -5.262 1.00 0.00 H new ATOM 0 HD21 ASN A 41 12.724 -18.798 -2.751 1.00 0.00 H new ATOM 0 HD22 ASN A 41 10.990 -18.908 -3.068 1.00 0.00 H new ATOM 574 N SER A 42 7.704 -15.239 -3.668 1.00 0.00 N ATOM 575 CA SER A 42 6.739 -14.224 -4.020 1.00 0.00 C ATOM 576 C SER A 42 6.686 -13.157 -2.930 1.00 0.00 C ATOM 577 O SER A 42 5.976 -13.331 -1.937 1.00 0.00 O ATOM 578 CB SER A 42 5.391 -14.899 -4.272 1.00 0.00 C ATOM 579 OG SER A 42 5.513 -15.879 -5.296 1.00 0.00 O ATOM 0 H SER A 42 7.655 -15.527 -2.691 1.00 0.00 H new ATOM 0 HA SER A 42 7.026 -13.709 -4.937 1.00 0.00 H new ATOM 0 HB2 SER A 42 5.033 -15.365 -3.354 1.00 0.00 H new ATOM 0 HB3 SER A 42 4.651 -14.152 -4.560 1.00 0.00 H new ATOM 0 HG SER A 42 4.902 -15.662 -6.031 1.00 0.00 H new ATOM 585 N LYS A 43 7.431 -12.061 -3.106 1.00 0.00 N ATOM 586 CA LYS A 43 7.328 -10.862 -2.284 1.00 0.00 C ATOM 587 C LYS A 43 7.218 -9.650 -3.187 1.00 0.00 C ATOM 588 O LYS A 43 7.736 -9.679 -4.301 1.00 0.00 O ATOM 589 CB LYS A 43 8.504 -10.803 -1.302 1.00 0.00 C ATOM 590 CG LYS A 43 8.484 -9.572 -0.381 1.00 0.00 C ATOM 591 CD LYS A 43 9.337 -8.390 -0.863 1.00 0.00 C ATOM 592 CE LYS A 43 10.585 -8.235 0.018 1.00 0.00 C ATOM 593 NZ LYS A 43 11.736 -7.533 -0.613 1.00 0.00 N ATOM 0 H LYS A 43 8.135 -11.986 -3.840 1.00 0.00 H new ATOM 0 HA LYS A 43 6.426 -10.880 -1.672 1.00 0.00 H new ATOM 0 HB2 LYS A 43 8.498 -11.704 -0.689 1.00 0.00 H new ATOM 0 HB3 LYS A 43 9.437 -10.808 -1.866 1.00 0.00 H new ATOM 0 HG2 LYS A 43 7.453 -9.236 -0.270 1.00 0.00 H new ATOM 0 HG3 LYS A 43 8.830 -9.871 0.609 1.00 0.00 H new ATOM 0 HD2 LYS A 43 9.634 -8.547 -1.900 1.00 0.00 H new ATOM 0 HD3 LYS A 43 8.748 -7.473 -0.835 1.00 0.00 H new ATOM 0 HE2 LYS A 43 10.304 -7.694 0.922 1.00 0.00 H new ATOM 0 HE3 LYS A 43 10.914 -9.227 0.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 12.625 -7.964 -0.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 11.668 -7.615 -1.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 11.720 -6.529 -0.344 1.00 0.00 H new ATOM 607 N ALA A 44 6.607 -8.570 -2.699 1.00 0.00 N ATOM 608 CA ALA A 44 6.421 -7.335 -3.424 1.00 0.00 C ATOM 609 C ALA A 44 6.887 -6.222 -2.491 1.00 0.00 C ATOM 610 O ALA A 44 6.303 -5.996 -1.431 1.00 0.00 O ATOM 611 CB ALA A 44 4.948 -7.218 -3.833 1.00 0.00 C ATOM 0 H ALA A 44 6.219 -8.541 -1.756 1.00 0.00 H new ATOM 0 HA ALA A 44 6.996 -7.281 -4.349 1.00 0.00 H new ATOM 0 HB1 ALA A 44 4.795 -6.289 -4.382 1.00 0.00 H new ATOM 0 HB2 ALA A 44 4.678 -8.062 -4.468 1.00 0.00 H new ATOM 0 HB3 ALA A 44 4.321 -7.220 -2.941 1.00 0.00 H new ATOM 617 N GLU A 45 7.965 -5.544 -2.861 1.00 0.00 N ATOM 618 CA GLU A 45 8.555 -4.408 -2.190 1.00 0.00 C ATOM 619 C GLU A 45 8.276 -3.250 -3.134 1.00 0.00 C ATOM 620 O GLU A 45 8.612 -3.337 -4.310 1.00 0.00 O ATOM 621 CB GLU A 45 10.046 -4.727 -2.025 1.00 0.00 C ATOM 622 CG GLU A 45 10.972 -3.583 -1.621 1.00 0.00 C ATOM 623 CD GLU A 45 12.420 -4.042 -1.725 1.00 0.00 C ATOM 624 OE1 GLU A 45 12.730 -5.067 -1.063 1.00 0.00 O ATOM 625 OE2 GLU A 45 13.221 -3.390 -2.433 1.00 0.00 O ATOM 0 H GLU A 45 8.484 -5.798 -3.702 1.00 0.00 H new ATOM 0 HA GLU A 45 8.169 -4.173 -1.198 1.00 0.00 H new ATOM 0 HB2 GLU A 45 10.140 -5.515 -1.278 1.00 0.00 H new ATOM 0 HB3 GLU A 45 10.409 -5.136 -2.968 1.00 0.00 H new ATOM 0 HG2 GLU A 45 10.805 -2.721 -2.266 1.00 0.00 H new ATOM 0 HG3 GLU A 45 10.752 -3.265 -0.602 1.00 0.00 H new ATOM 632 N VAL A 46 7.579 -2.215 -2.690 1.00 0.00 N ATOM 633 CA VAL A 46 7.431 -0.995 -3.455 1.00 0.00 C ATOM 634 C VAL A 46 8.059 0.121 -2.639 1.00 0.00 C ATOM 635 O VAL A 46 7.798 0.262 -1.439 1.00 0.00 O ATOM 636 CB VAL A 46 5.975 -0.777 -3.896 1.00 0.00 C ATOM 637 CG1 VAL A 46 5.028 -0.398 -2.754 1.00 0.00 C ATOM 638 CG2 VAL A 46 5.906 0.311 -4.965 1.00 0.00 C ATOM 0 H VAL A 46 7.102 -2.201 -1.789 1.00 0.00 H new ATOM 0 HA VAL A 46 7.959 -1.037 -4.408 1.00 0.00 H new ATOM 0 HB VAL A 46 5.642 -1.738 -4.287 1.00 0.00 H new ATOM 0 HG11 VAL A 46 4.020 -0.262 -3.147 1.00 0.00 H new ATOM 0 HG12 VAL A 46 5.022 -1.192 -2.008 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.366 0.530 -2.293 1.00 0.00 H new ATOM 0 HG21 VAL A 46 4.870 0.457 -5.270 1.00 0.00 H new ATOM 0 HG22 VAL A 46 6.300 1.244 -4.561 1.00 0.00 H new ATOM 0 HG23 VAL A 46 6.499 0.011 -5.829 1.00 0.00 H new ATOM 648 N ARG A 47 8.940 0.874 -3.278 1.00 0.00 N ATOM 649 CA ARG A 47 9.550 2.066 -2.726 1.00 0.00 C ATOM 650 C ARG A 47 8.988 3.242 -3.498 1.00 0.00 C ATOM 651 O ARG A 47 8.658 3.094 -4.673 1.00 0.00 O ATOM 652 CB ARG A 47 11.074 1.919 -2.836 1.00 0.00 C ATOM 653 CG ARG A 47 11.883 3.210 -2.670 1.00 0.00 C ATOM 654 CD ARG A 47 13.350 2.865 -2.360 1.00 0.00 C ATOM 655 NE ARG A 47 13.944 2.034 -3.413 1.00 0.00 N ATOM 656 CZ ARG A 47 14.274 2.407 -4.653 1.00 0.00 C ATOM 657 NH1 ARG A 47 14.210 3.675 -5.036 1.00 0.00 N ATOM 658 NH2 ARG A 47 14.665 1.474 -5.515 1.00 0.00 N ATOM 0 H ARG A 47 9.258 0.663 -4.224 1.00 0.00 H new ATOM 0 HA ARG A 47 9.330 2.222 -1.670 1.00 0.00 H new ATOM 0 HB2 ARG A 47 11.406 1.205 -2.082 1.00 0.00 H new ATOM 0 HB3 ARG A 47 11.309 1.488 -3.809 1.00 0.00 H new ATOM 0 HG2 ARG A 47 11.824 3.807 -3.580 1.00 0.00 H new ATOM 0 HG3 ARG A 47 11.463 3.813 -1.865 1.00 0.00 H new ATOM 0 HD2 ARG A 47 13.926 3.784 -2.253 1.00 0.00 H new ATOM 0 HD3 ARG A 47 13.407 2.340 -1.406 1.00 0.00 H new ATOM 0 HE ARG A 47 14.126 1.060 -3.171 1.00 0.00 H new ATOM 0 HH11 ARG A 47 13.903 4.392 -4.378 1.00 0.00 H new ATOM 0 HH12 ARG A 47 14.468 3.934 -5.988 1.00 0.00 H new ATOM 0 HH21 ARG A 47 14.708 0.497 -5.224 1.00 0.00 H new ATOM 0 HH22 ARG A 47 14.922 1.735 -6.467 1.00 0.00 H new ATOM 672 N PHE A 48 8.867 4.404 -2.869 1.00 0.00 N ATOM 673 CA PHE A 48 8.747 5.648 -3.607 1.00 0.00 C ATOM 674 C PHE A 48 9.376 6.762 -2.794 1.00 0.00 C ATOM 675 O PHE A 48 9.276 6.781 -1.566 1.00 0.00 O ATOM 676 CB PHE A 48 7.282 5.958 -3.957 1.00 0.00 C ATOM 677 CG PHE A 48 6.297 5.925 -2.798 1.00 0.00 C ATOM 678 CD1 PHE A 48 5.740 4.696 -2.384 1.00 0.00 C ATOM 679 CD2 PHE A 48 5.921 7.118 -2.149 1.00 0.00 C ATOM 680 CE1 PHE A 48 4.819 4.657 -1.323 1.00 0.00 C ATOM 681 CE2 PHE A 48 4.985 7.078 -1.098 1.00 0.00 C ATOM 682 CZ PHE A 48 4.419 5.853 -0.703 1.00 0.00 C ATOM 0 H PHE A 48 8.850 4.508 -1.854 1.00 0.00 H new ATOM 0 HA PHE A 48 9.275 5.556 -4.556 1.00 0.00 H new ATOM 0 HB2 PHE A 48 7.240 6.946 -4.415 1.00 0.00 H new ATOM 0 HB3 PHE A 48 6.950 5.243 -4.710 1.00 0.00 H new ATOM 0 HD1 PHE A 48 6.023 3.782 -2.885 1.00 0.00 H new ATOM 0 HD2 PHE A 48 6.350 8.060 -2.457 1.00 0.00 H new ATOM 0 HE1 PHE A 48 4.420 3.712 -0.986 1.00 0.00 H new ATOM 0 HE2 PHE A 48 4.701 7.990 -0.594 1.00 0.00 H new ATOM 0 HZ PHE A 48 3.675 5.831 0.079 1.00 0.00 H new ATOM 692 N HIS A 49 9.989 7.730 -3.469 1.00 0.00 N ATOM 693 CA HIS A 49 10.295 9.011 -2.864 1.00 0.00 C ATOM 694 C HIS A 49 8.989 9.726 -2.555 1.00 0.00 C ATOM 695 O HIS A 49 8.274 10.181 -3.452 1.00 0.00 O ATOM 696 CB HIS A 49 11.245 9.810 -3.752 1.00 0.00 C ATOM 697 CG HIS A 49 11.733 11.062 -3.076 1.00 0.00 C ATOM 698 ND1 HIS A 49 11.806 12.297 -3.667 1.00 0.00 N ATOM 699 CD2 HIS A 49 12.246 11.170 -1.808 1.00 0.00 C ATOM 700 CE1 HIS A 49 12.382 13.127 -2.793 1.00 0.00 C ATOM 701 NE2 HIS A 49 12.630 12.500 -1.632 1.00 0.00 N ATOM 0 H HIS A 49 10.283 7.645 -4.442 1.00 0.00 H new ATOM 0 HA HIS A 49 10.825 8.881 -1.921 1.00 0.00 H new ATOM 0 HB2 HIS A 49 12.098 9.188 -4.021 1.00 0.00 H new ATOM 0 HB3 HIS A 49 10.738 10.074 -4.680 1.00 0.00 H new ATOM 0 HD2 HIS A 49 12.336 10.375 -1.082 1.00 0.00 H new ATOM 0 HE1 HIS A 49 12.616 14.162 -2.993 1.00 0.00 H new ATOM 0 HE2 HIS A 49 13.022 12.915 -0.787 1.00 0.00 H new ATOM 709 N LEU A 50 8.680 9.765 -1.260 1.00 0.00 N ATOM 710 CA LEU A 50 7.486 10.346 -0.690 1.00 0.00 C ATOM 711 C LEU A 50 7.466 11.851 -0.949 1.00 0.00 C ATOM 712 O LEU A 50 6.403 12.379 -1.251 1.00 0.00 O ATOM 713 CB LEU A 50 7.463 9.929 0.790 1.00 0.00 C ATOM 714 CG LEU A 50 6.535 10.687 1.742 1.00 0.00 C ATOM 715 CD1 LEU A 50 7.046 12.097 2.020 1.00 0.00 C ATOM 716 CD2 LEU A 50 5.075 10.639 1.285 1.00 0.00 C ATOM 0 H LEU A 50 9.295 9.368 -0.550 1.00 0.00 H new ATOM 0 HA LEU A 50 6.565 9.986 -1.149 1.00 0.00 H new ATOM 0 HB2 LEU A 50 7.195 8.873 0.834 1.00 0.00 H new ATOM 0 HB3 LEU A 50 8.479 10.016 1.176 1.00 0.00 H new ATOM 0 HG LEU A 50 6.551 10.170 2.702 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.362 12.605 2.700 1.00 0.00 H new ATOM 0 HD12 LEU A 50 8.035 12.042 2.475 1.00 0.00 H new ATOM 0 HD13 LEU A 50 7.107 12.653 1.084 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.454 11.190 1.991 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.988 11.090 0.297 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.741 9.602 1.241 1.00 0.00 H new ATOM 728 N ALA A 51 8.602 12.552 -0.883 1.00 0.00 N ATOM 729 CA ALA A 51 8.590 13.991 -1.134 1.00 0.00 C ATOM 730 C ALA A 51 8.155 14.259 -2.581 1.00 0.00 C ATOM 731 O ALA A 51 7.245 15.042 -2.828 1.00 0.00 O ATOM 732 CB ALA A 51 9.955 14.597 -0.816 1.00 0.00 C ATOM 0 H ALA A 51 9.517 12.158 -0.664 1.00 0.00 H new ATOM 0 HA ALA A 51 7.867 14.474 -0.476 1.00 0.00 H new ATOM 0 HB1 ALA A 51 9.931 15.670 -1.008 1.00 0.00 H new ATOM 0 HB2 ALA A 51 10.196 14.421 0.232 1.00 0.00 H new ATOM 0 HB3 ALA A 51 10.715 14.133 -1.445 1.00 0.00 H new ATOM 738 N SER A 52 8.704 13.504 -3.537 1.00 0.00 N ATOM 739 CA SER A 52 8.312 13.535 -4.945 1.00 0.00 C ATOM 740 C SER A 52 6.978 12.820 -5.201 1.00 0.00 C ATOM 741 O SER A 52 6.679 12.449 -6.337 1.00 0.00 O ATOM 742 CB SER A 52 9.426 12.905 -5.785 1.00 0.00 C ATOM 743 OG SER A 52 10.550 13.768 -5.863 1.00 0.00 O ATOM 0 H SER A 52 9.452 12.838 -3.346 1.00 0.00 H new ATOM 0 HA SER A 52 8.165 14.576 -5.232 1.00 0.00 H new ATOM 0 HB2 SER A 52 9.723 11.952 -5.347 1.00 0.00 H new ATOM 0 HB3 SER A 52 9.055 12.692 -6.788 1.00 0.00 H new ATOM 0 HG SER A 52 11.210 13.508 -5.187 1.00 0.00 H new ATOM 749 N ALA A 53 6.179 12.522 -4.178 1.00 0.00 N ATOM 750 CA ALA A 53 4.853 11.980 -4.365 1.00 0.00 C ATOM 751 C ALA A 53 3.885 13.134 -4.615 1.00 0.00 C ATOM 752 O ALA A 53 3.036 13.440 -3.782 1.00 0.00 O ATOM 753 CB ALA A 53 4.500 11.086 -3.182 1.00 0.00 C ATOM 0 H ALA A 53 6.441 12.653 -3.201 1.00 0.00 H new ATOM 0 HA ALA A 53 4.791 11.336 -5.242 1.00 0.00 H new ATOM 0 HB1 ALA A 53 3.500 10.676 -3.321 1.00 0.00 H new ATOM 0 HB2 ALA A 53 5.220 10.271 -3.115 1.00 0.00 H new ATOM 0 HB3 ALA A 53 4.527 11.671 -2.263 1.00 0.00 H new ATOM 759 N ASP A 54 3.994 13.766 -5.785 1.00 0.00 N ATOM 760 CA ASP A 54 3.130 14.881 -6.213 1.00 0.00 C ATOM 761 C ASP A 54 1.664 14.445 -6.426 1.00 0.00 C ATOM 762 O ASP A 54 0.783 15.237 -6.762 1.00 0.00 O ATOM 763 CB ASP A 54 3.704 15.526 -7.483 1.00 0.00 C ATOM 764 CG ASP A 54 5.019 16.282 -7.247 1.00 0.00 C ATOM 765 OD1 ASP A 54 5.191 16.917 -6.177 1.00 0.00 O ATOM 766 OD2 ASP A 54 5.905 16.183 -8.127 1.00 0.00 O ATOM 0 H ASP A 54 4.698 13.516 -6.480 1.00 0.00 H new ATOM 0 HA ASP A 54 3.117 15.618 -5.410 1.00 0.00 H new ATOM 0 HB2 ASP A 54 3.869 14.751 -8.231 1.00 0.00 H new ATOM 0 HB3 ASP A 54 2.967 16.215 -7.895 1.00 0.00 H new ATOM 771 N TRP A 55 1.390 13.156 -6.235 1.00 0.00 N ATOM 772 CA TRP A 55 0.084 12.525 -6.220 1.00 0.00 C ATOM 773 C TRP A 55 -0.518 12.462 -4.804 1.00 0.00 C ATOM 774 O TRP A 55 -1.657 12.013 -4.652 1.00 0.00 O ATOM 775 CB TRP A 55 0.232 11.145 -6.877 1.00 0.00 C ATOM 776 CG TRP A 55 1.359 10.280 -6.396 1.00 0.00 C ATOM 777 CD1 TRP A 55 2.652 10.371 -6.783 1.00 0.00 C ATOM 778 CD2 TRP A 55 1.313 9.212 -5.411 1.00 0.00 C ATOM 779 NE1 TRP A 55 3.403 9.405 -6.140 1.00 0.00 N ATOM 780 CE2 TRP A 55 2.626 8.677 -5.263 1.00 0.00 C ATOM 781 CE3 TRP A 55 0.299 8.676 -4.593 1.00 0.00 C ATOM 782 CZ2 TRP A 55 2.911 7.659 -4.344 1.00 0.00 C ATOM 783 CZ3 TRP A 55 0.583 7.662 -3.662 1.00 0.00 C ATOM 784 CH2 TRP A 55 1.885 7.150 -3.538 1.00 0.00 C ATOM 0 H TRP A 55 2.136 12.479 -6.075 1.00 0.00 H new ATOM 0 HA TRP A 55 -0.631 13.120 -6.788 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -0.700 10.599 -6.732 1.00 0.00 H new ATOM 0 HB3 TRP A 55 0.352 11.292 -7.950 1.00 0.00 H new ATOM 0 HD1 TRP A 55 3.040 11.091 -7.489 1.00 0.00 H new ATOM 0 HE1 TRP A 55 4.400 9.251 -6.294 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -0.710 9.049 -4.682 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 3.915 7.269 -4.258 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -0.207 7.273 -3.036 1.00 0.00 H new ATOM 0 HH2 TRP A 55 2.094 6.367 -2.824 1.00 0.00 H new ATOM 795 N ILE A 56 0.207 12.910 -3.778 1.00 0.00 N ATOM 796 CA ILE A 56 -0.202 12.998 -2.374 1.00 0.00 C ATOM 797 C ILE A 56 -0.382 14.476 -2.036 1.00 0.00 C ATOM 798 O ILE A 56 0.250 15.347 -2.631 1.00 0.00 O ATOM 799 CB ILE A 56 0.875 12.303 -1.487 1.00 0.00 C ATOM 800 CG1 ILE A 56 1.088 10.837 -1.938 1.00 0.00 C ATOM 801 CG2 ILE A 56 0.513 12.311 0.004 1.00 0.00 C ATOM 802 CD1 ILE A 56 2.051 10.014 -1.066 1.00 0.00 C ATOM 0 H ILE A 56 1.161 13.244 -3.915 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.146 12.486 -2.188 1.00 0.00 H new ATOM 0 HB ILE A 56 1.792 12.879 -1.616 1.00 0.00 H new ATOM 0 HG12 ILE A 56 0.120 10.335 -1.955 1.00 0.00 H new ATOM 0 HG13 ILE A 56 1.463 10.840 -2.961 1.00 0.00 H new ATOM 0 HG21 ILE A 56 1.299 11.814 0.572 1.00 0.00 H new ATOM 0 HG22 ILE A 56 0.412 13.340 0.348 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.430 11.785 0.152 1.00 0.00 H new ATOM 0 HD11 ILE A 56 2.131 9.003 -1.466 1.00 0.00 H new ATOM 0 HD12 ILE A 56 3.035 10.484 -1.067 1.00 0.00 H new ATOM 0 HD13 ILE A 56 1.671 9.971 -0.045 1.00 0.00 H new ATOM 814 N GLU A 57 -1.257 14.747 -1.074 1.00 0.00 N ATOM 815 CA GLU A 57 -1.418 16.050 -0.453 1.00 0.00 C ATOM 816 C GLU A 57 -0.125 16.411 0.233 1.00 0.00 C ATOM 817 O GLU A 57 0.449 15.595 0.942 1.00 0.00 O ATOM 818 CB GLU A 57 -2.539 16.027 0.604 1.00 0.00 C ATOM 819 CG GLU A 57 -3.639 15.001 0.405 1.00 0.00 C ATOM 820 CD GLU A 57 -4.837 15.189 1.358 1.00 0.00 C ATOM 821 OE1 GLU A 57 -5.066 16.315 1.858 1.00 0.00 O ATOM 822 OE2 GLU A 57 -5.598 14.222 1.610 1.00 0.00 O ATOM 0 H GLU A 57 -1.891 14.043 -0.696 1.00 0.00 H new ATOM 0 HA GLU A 57 -1.678 16.776 -1.223 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -2.084 15.854 1.579 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -2.997 17.016 0.637 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -3.992 15.054 -0.625 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -3.224 14.003 0.548 1.00 0.00 H new ATOM 829 N GLU A 58 0.293 17.658 0.120 1.00 0.00 N ATOM 830 CA GLU A 58 1.424 18.125 0.883 1.00 0.00 C ATOM 831 C GLU A 58 1.289 17.892 2.401 1.00 0.00 C ATOM 832 O GLU A 58 2.288 17.477 3.001 1.00 0.00 O ATOM 833 CB GLU A 58 1.696 19.570 0.493 1.00 0.00 C ATOM 834 CG GLU A 58 3.036 20.005 1.105 1.00 0.00 C ATOM 835 CD GLU A 58 3.756 21.057 0.279 1.00 0.00 C ATOM 836 OE1 GLU A 58 4.477 20.649 -0.662 1.00 0.00 O ATOM 837 OE2 GLU A 58 3.691 22.252 0.642 1.00 0.00 O ATOM 0 H GLU A 58 -0.133 18.357 -0.489 1.00 0.00 H new ATOM 0 HA GLU A 58 2.299 17.525 0.632 1.00 0.00 H new ATOM 0 HB2 GLU A 58 1.727 19.668 -0.592 1.00 0.00 H new ATOM 0 HB3 GLU A 58 0.892 20.214 0.848 1.00 0.00 H new ATOM 0 HG2 GLU A 58 2.861 20.396 2.107 1.00 0.00 H new ATOM 0 HG3 GLU A 58 3.680 19.132 1.212 1.00 0.00 H new ATOM 844 N PRO A 59 0.125 18.068 3.065 1.00 0.00 N ATOM 845 CA PRO A 59 0.066 17.794 4.498 1.00 0.00 C ATOM 846 C PRO A 59 0.090 16.284 4.783 1.00 0.00 C ATOM 847 O PRO A 59 0.596 15.871 5.826 1.00 0.00 O ATOM 848 CB PRO A 59 -1.182 18.506 5.003 1.00 0.00 C ATOM 849 CG PRO A 59 -2.111 18.498 3.795 1.00 0.00 C ATOM 850 CD PRO A 59 -1.181 18.521 2.578 1.00 0.00 C ATOM 0 HA PRO A 59 0.940 18.169 5.030 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -1.624 17.986 5.853 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -0.960 19.521 5.331 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -2.745 17.611 3.791 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -2.774 19.363 3.801 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -1.553 17.867 1.789 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -1.115 19.524 2.155 1.00 0.00 H new ATOM 858 N VAL A 60 -0.341 15.449 3.834 1.00 0.00 N ATOM 859 CA VAL A 60 -0.258 14.007 3.950 1.00 0.00 C ATOM 860 C VAL A 60 1.195 13.573 3.725 1.00 0.00 C ATOM 861 O VAL A 60 1.700 12.756 4.491 1.00 0.00 O ATOM 862 CB VAL A 60 -1.281 13.357 3.001 1.00 0.00 C ATOM 863 CG1 VAL A 60 -1.126 11.842 2.939 1.00 0.00 C ATOM 864 CG2 VAL A 60 -2.712 13.646 3.477 1.00 0.00 C ATOM 0 H VAL A 60 -0.759 15.766 2.960 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.526 13.664 4.949 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.097 13.784 2.015 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -1.869 11.428 2.257 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.127 11.593 2.582 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -1.271 11.420 3.934 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -3.423 13.180 2.795 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -2.851 13.241 4.479 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -2.879 14.723 3.495 1.00 0.00 H new ATOM 874 N ARG A 61 1.917 14.151 2.754 1.00 0.00 N ATOM 875 CA ARG A 61 3.331 13.858 2.516 1.00 0.00 C ATOM 876 C ARG A 61 4.100 14.016 3.815 1.00 0.00 C ATOM 877 O ARG A 61 4.738 13.079 4.293 1.00 0.00 O ATOM 878 CB ARG A 61 3.964 14.758 1.434 1.00 0.00 C ATOM 879 CG ARG A 61 3.591 14.376 -0.003 1.00 0.00 C ATOM 880 CD ARG A 61 4.544 14.999 -1.033 1.00 0.00 C ATOM 881 NE ARG A 61 4.371 16.457 -1.198 1.00 0.00 N ATOM 882 CZ ARG A 61 4.581 17.140 -2.337 1.00 0.00 C ATOM 883 NH1 ARG A 61 4.972 16.486 -3.425 1.00 0.00 N ATOM 884 NH2 ARG A 61 4.383 18.450 -2.428 1.00 0.00 N ATOM 0 H ARG A 61 1.530 14.840 2.109 1.00 0.00 H new ATOM 0 HA ARG A 61 3.388 12.833 2.150 1.00 0.00 H new ATOM 0 HB2 ARG A 61 3.661 15.790 1.613 1.00 0.00 H new ATOM 0 HB3 ARG A 61 5.049 14.722 1.537 1.00 0.00 H new ATOM 0 HG2 ARG A 61 3.607 13.291 -0.105 1.00 0.00 H new ATOM 0 HG3 ARG A 61 2.571 14.700 -0.211 1.00 0.00 H new ATOM 0 HD2 ARG A 61 5.572 14.796 -0.733 1.00 0.00 H new ATOM 0 HD3 ARG A 61 4.391 14.513 -1.997 1.00 0.00 H new ATOM 0 HE ARG A 61 4.068 16.988 -0.382 1.00 0.00 H new ATOM 0 HH11 ARG A 61 5.110 15.476 -3.391 1.00 0.00 H new ATOM 0 HH12 ARG A 61 5.134 16.994 -4.295 1.00 0.00 H new ATOM 0 HH21 ARG A 61 4.060 18.975 -1.615 1.00 0.00 H new ATOM 0 HH22 ARG A 61 4.554 18.932 -3.311 1.00 0.00 H new ATOM 898 N GLN A 62 3.995 15.200 4.408 1.00 0.00 N ATOM 899 CA GLN A 62 4.716 15.506 5.632 1.00 0.00 C ATOM 900 C GLN A 62 4.134 14.763 6.842 1.00 0.00 C ATOM 901 O GLN A 62 4.782 14.746 7.885 1.00 0.00 O ATOM 902 CB GLN A 62 4.824 17.021 5.837 1.00 0.00 C ATOM 903 CG GLN A 62 3.531 17.635 6.352 1.00 0.00 C ATOM 904 CD GLN A 62 3.445 19.124 6.042 1.00 0.00 C ATOM 905 OE1 GLN A 62 3.712 19.976 6.886 1.00 0.00 O ATOM 906 NE2 GLN A 62 3.117 19.486 4.818 1.00 0.00 N ATOM 0 H GLN A 62 3.416 15.963 4.058 1.00 0.00 H new ATOM 0 HA GLN A 62 5.736 15.134 5.531 1.00 0.00 H new ATOM 0 HB2 GLN A 62 5.628 17.232 6.542 1.00 0.00 H new ATOM 0 HB3 GLN A 62 5.095 17.493 4.893 1.00 0.00 H new ATOM 0 HG2 GLN A 62 2.681 17.121 5.903 1.00 0.00 H new ATOM 0 HG3 GLN A 62 3.462 17.484 7.429 1.00 0.00 H new ATOM 0 HE21 GLN A 62 2.896 18.777 4.119 1.00 0.00 H new ATOM 0 HE22 GLN A 62 3.085 20.475 4.570 1.00 0.00 H new ATOM 915 N LYS A 63 2.949 14.139 6.758 1.00 0.00 N ATOM 916 CA LYS A 63 2.559 13.134 7.727 1.00 0.00 C ATOM 917 C LYS A 63 3.457 11.924 7.547 1.00 0.00 C ATOM 918 O LYS A 63 4.264 11.677 8.415 1.00 0.00 O ATOM 919 CB LYS A 63 1.085 12.749 7.584 1.00 0.00 C ATOM 920 CG LYS A 63 0.267 13.026 8.840 1.00 0.00 C ATOM 921 CD LYS A 63 -0.313 14.439 8.826 1.00 0.00 C ATOM 922 CE LYS A 63 -1.269 14.499 10.008 1.00 0.00 C ATOM 923 NZ LYS A 63 -2.017 15.760 10.073 1.00 0.00 N ATOM 0 H LYS A 63 2.257 14.319 6.031 1.00 0.00 H new ATOM 0 HA LYS A 63 2.676 13.540 8.732 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.652 13.298 6.748 1.00 0.00 H new ATOM 0 HB3 LYS A 63 1.015 11.689 7.339 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.542 12.300 8.917 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.896 12.898 9.721 1.00 0.00 H new ATOM 0 HD2 LYS A 63 0.474 15.187 8.920 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -0.834 14.640 7.890 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -1.972 13.668 9.943 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -0.705 14.368 10.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -2.652 15.745 10.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -1.352 16.554 10.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -2.579 15.876 9.205 1.00 0.00 H new ATOM 937 N ILE A 64 3.380 11.188 6.438 1.00 0.00 N ATOM 938 CA ILE A 64 4.128 9.981 6.114 1.00 0.00 C ATOM 939 C ILE A 64 5.630 10.181 6.394 1.00 0.00 C ATOM 940 O ILE A 64 6.267 9.247 6.880 1.00 0.00 O ATOM 941 CB ILE A 64 3.755 9.552 4.669 1.00 0.00 C ATOM 942 CG1 ILE A 64 2.375 8.854 4.524 1.00 0.00 C ATOM 943 CG2 ILE A 64 4.744 8.531 4.115 1.00 0.00 C ATOM 944 CD1 ILE A 64 1.156 9.753 4.614 1.00 0.00 C ATOM 0 H ILE A 64 2.741 11.444 5.685 1.00 0.00 H new ATOM 0 HA ILE A 64 3.857 9.145 6.759 1.00 0.00 H new ATOM 0 HB ILE A 64 3.755 10.502 4.134 1.00 0.00 H new ATOM 0 HG12 ILE A 64 2.351 8.339 3.563 1.00 0.00 H new ATOM 0 HG13 ILE A 64 2.295 8.090 5.297 1.00 0.00 H new ATOM 0 HG21 ILE A 64 4.452 8.254 3.102 1.00 0.00 H new ATOM 0 HG22 ILE A 64 5.744 8.965 4.098 1.00 0.00 H new ATOM 0 HG23 ILE A 64 4.744 7.644 4.748 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.253 9.154 4.499 1.00 0.00 H new ATOM 0 HD12 ILE A 64 1.141 10.249 5.584 1.00 0.00 H new ATOM 0 HD13 ILE A 64 1.198 10.503 3.824 1.00 0.00 H new ATOM 956 N ALA A 65 6.177 11.382 6.174 1.00 0.00 N ATOM 957 CA ALA A 65 7.555 11.749 6.474 1.00 0.00 C ATOM 958 C ALA A 65 7.921 11.460 7.938 1.00 0.00 C ATOM 959 O ALA A 65 9.051 11.081 8.256 1.00 0.00 O ATOM 960 CB ALA A 65 7.710 13.244 6.172 1.00 0.00 C ATOM 0 H ALA A 65 5.646 12.151 5.766 1.00 0.00 H new ATOM 0 HA ALA A 65 8.231 11.152 5.861 1.00 0.00 H new ATOM 0 HB1 ALA A 65 8.733 13.554 6.386 1.00 0.00 H new ATOM 0 HB2 ALA A 65 7.487 13.428 5.121 1.00 0.00 H new ATOM 0 HB3 ALA A 65 7.020 13.814 6.794 1.00 0.00 H new ATOM 966 N LEU A 66 6.972 11.733 8.830 1.00 0.00 N ATOM 967 CA LEU A 66 7.010 11.634 10.279 1.00 0.00 C ATOM 968 C LEU A 66 6.297 10.367 10.763 1.00 0.00 C ATOM 969 O LEU A 66 6.926 9.455 11.292 1.00 0.00 O ATOM 970 CB LEU A 66 6.384 12.914 10.866 1.00 0.00 C ATOM 971 CG LEU A 66 7.010 14.221 10.327 1.00 0.00 C ATOM 972 CD1 LEU A 66 6.171 15.426 10.737 1.00 0.00 C ATOM 973 CD2 LEU A 66 8.468 14.385 10.758 1.00 0.00 C ATOM 0 H LEU A 66 6.060 12.065 8.516 1.00 0.00 H new ATOM 0 HA LEU A 66 8.041 11.551 10.624 1.00 0.00 H new ATOM 0 HB2 LEU A 66 5.316 12.917 10.648 1.00 0.00 H new ATOM 0 HB3 LEU A 66 6.488 12.893 11.951 1.00 0.00 H new ATOM 0 HG LEU A 66 7.012 14.158 9.239 1.00 0.00 H new ATOM 0 HD11 LEU A 66 6.628 16.336 10.348 1.00 0.00 H new ATOM 0 HD12 LEU A 66 5.164 15.323 10.332 1.00 0.00 H new ATOM 0 HD13 LEU A 66 6.120 15.481 11.824 1.00 0.00 H new ATOM 0 HD21 LEU A 66 8.864 15.317 10.355 1.00 0.00 H new ATOM 0 HD22 LEU A 66 8.525 14.407 11.846 1.00 0.00 H new ATOM 0 HD23 LEU A 66 9.055 13.548 10.380 1.00 0.00 H new ATOM 985 N THR A 67 4.980 10.292 10.566 1.00 0.00 N ATOM 986 CA THR A 67 4.070 9.287 11.096 1.00 0.00 C ATOM 987 C THR A 67 4.455 7.889 10.625 1.00 0.00 C ATOM 988 O THR A 67 4.316 6.915 11.367 1.00 0.00 O ATOM 989 CB THR A 67 2.655 9.664 10.619 1.00 0.00 C ATOM 990 OG1 THR A 67 2.333 10.974 11.044 1.00 0.00 O ATOM 991 CG2 THR A 67 1.570 8.700 11.092 1.00 0.00 C ATOM 0 H THR A 67 4.492 10.980 9.993 1.00 0.00 H new ATOM 0 HA THR A 67 4.116 9.267 12.185 1.00 0.00 H new ATOM 0 HB THR A 67 2.678 9.605 9.531 1.00 0.00 H new ATOM 0 HG1 THR A 67 1.360 11.094 11.027 1.00 0.00 H new ATOM 0 HG21 THR A 67 0.601 9.030 10.717 1.00 0.00 H new ATOM 0 HG22 THR A 67 1.783 7.699 10.715 1.00 0.00 H new ATOM 0 HG23 THR A 67 1.550 8.681 12.182 1.00 0.00 H new ATOM 999 N HIS A 68 4.976 7.782 9.404 1.00 0.00 N ATOM 1000 CA HIS A 68 5.340 6.518 8.784 1.00 0.00 C ATOM 1001 C HIS A 68 6.854 6.463 8.567 1.00 0.00 C ATOM 1002 O HIS A 68 7.334 5.700 7.728 1.00 0.00 O ATOM 1003 CB HIS A 68 4.489 6.303 7.529 1.00 0.00 C ATOM 1004 CG HIS A 68 3.007 6.190 7.828 1.00 0.00 C ATOM 1005 ND1 HIS A 68 2.347 5.067 8.279 1.00 0.00 N ATOM 1006 CD2 HIS A 68 2.067 7.181 7.715 1.00 0.00 C ATOM 1007 CE1 HIS A 68 1.040 5.365 8.368 1.00 0.00 C ATOM 1008 NE2 HIS A 68 0.826 6.643 8.027 1.00 0.00 N ATOM 0 H HIS A 68 5.159 8.590 8.809 1.00 0.00 H new ATOM 0 HA HIS A 68 5.117 5.673 9.436 1.00 0.00 H new ATOM 0 HB2 HIS A 68 4.652 7.132 6.840 1.00 0.00 H new ATOM 0 HB3 HIS A 68 4.822 5.397 7.022 1.00 0.00 H new ATOM 0 HD2 HIS A 68 2.259 8.205 7.432 1.00 0.00 H new ATOM 0 HE1 HIS A 68 0.270 4.672 8.672 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -0.072 7.126 8.002 1.00 0.00 H new ATOM 1016 N LYS A 69 7.621 7.240 9.344 1.00 0.00 N ATOM 1017 CA LYS A 69 9.079 7.269 9.298 1.00 0.00 C ATOM 1018 C LYS A 69 9.680 5.884 9.502 1.00 0.00 C ATOM 1019 O LYS A 69 10.726 5.610 8.926 1.00 0.00 O ATOM 1020 CB LYS A 69 9.582 8.270 10.344 1.00 0.00 C ATOM 1021 CG LYS A 69 11.094 8.238 10.593 1.00 0.00 C ATOM 1022 CD LYS A 69 11.506 9.381 11.527 1.00 0.00 C ATOM 1023 CE LYS A 69 11.429 10.723 10.786 1.00 0.00 C ATOM 1024 NZ LYS A 69 12.043 11.830 11.543 1.00 0.00 N ATOM 0 H LYS A 69 7.230 7.879 10.036 1.00 0.00 H new ATOM 0 HA LYS A 69 9.402 7.591 8.308 1.00 0.00 H new ATOM 0 HB2 LYS A 69 9.302 9.275 10.028 1.00 0.00 H new ATOM 0 HB3 LYS A 69 9.069 8.077 11.286 1.00 0.00 H new ATOM 0 HG2 LYS A 69 11.376 7.281 11.032 1.00 0.00 H new ATOM 0 HG3 LYS A 69 11.627 8.324 9.646 1.00 0.00 H new ATOM 0 HD2 LYS A 69 10.853 9.401 12.400 1.00 0.00 H new ATOM 0 HD3 LYS A 69 12.520 9.216 11.891 1.00 0.00 H new ATOM 0 HE2 LYS A 69 11.927 10.629 9.821 1.00 0.00 H new ATOM 0 HE3 LYS A 69 10.385 10.962 10.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 11.963 12.711 10.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 11.553 11.942 12.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 13.047 11.619 11.714 1.00 0.00 H new ATOM 1038 N ASN A 70 9.040 4.985 10.251 1.00 0.00 N ATOM 1039 CA ASN A 70 9.554 3.622 10.374 1.00 0.00 C ATOM 1040 C ASN A 70 9.593 2.886 9.030 1.00 0.00 C ATOM 1041 O ASN A 70 10.460 2.042 8.820 1.00 0.00 O ATOM 1042 CB ASN A 70 8.747 2.820 11.395 1.00 0.00 C ATOM 1043 CG ASN A 70 9.598 1.679 11.932 1.00 0.00 C ATOM 1044 OD1 ASN A 70 9.505 0.538 11.490 1.00 0.00 O ATOM 1045 ND2 ASN A 70 10.440 1.977 12.908 1.00 0.00 N ATOM 0 H ASN A 70 8.183 5.171 10.771 1.00 0.00 H new ATOM 0 HA ASN A 70 10.582 3.709 10.727 1.00 0.00 H new ATOM 0 HB2 ASN A 70 8.430 3.467 12.213 1.00 0.00 H new ATOM 0 HB3 ASN A 70 7.843 2.426 10.931 1.00 0.00 H new ATOM 0 HD21 ASN A 70 11.031 1.250 13.311 1.00 0.00 H new ATOM 0 HD22 ASN A 70 10.498 2.934 13.257 1.00 0.00 H new ATOM 1052 N LYS A 71 8.680 3.215 8.105 1.00 0.00 N ATOM 1053 CA LYS A 71 8.708 2.692 6.746 1.00 0.00 C ATOM 1054 C LYS A 71 9.713 3.424 5.866 1.00 0.00 C ATOM 1055 O LYS A 71 10.059 2.931 4.800 1.00 0.00 O ATOM 1056 CB LYS A 71 7.318 2.777 6.097 1.00 0.00 C ATOM 1057 CG LYS A 71 6.105 2.286 6.901 1.00 0.00 C ATOM 1058 CD LYS A 71 6.039 0.769 7.128 1.00 0.00 C ATOM 1059 CE LYS A 71 4.565 0.335 7.232 1.00 0.00 C ATOM 1060 NZ LYS A 71 4.333 -0.653 8.300 1.00 0.00 N ATOM 0 H LYS A 71 7.904 3.852 8.285 1.00 0.00 H new ATOM 0 HA LYS A 71 9.016 1.649 6.824 1.00 0.00 H new ATOM 0 HB2 LYS A 71 7.140 3.819 5.830 1.00 0.00 H new ATOM 0 HB3 LYS A 71 7.351 2.210 5.166 1.00 0.00 H new ATOM 0 HG2 LYS A 71 6.108 2.782 7.871 1.00 0.00 H new ATOM 0 HG3 LYS A 71 5.197 2.600 6.386 1.00 0.00 H new ATOM 0 HD2 LYS A 71 6.528 0.245 6.307 1.00 0.00 H new ATOM 0 HD3 LYS A 71 6.574 0.502 8.039 1.00 0.00 H new ATOM 0 HE2 LYS A 71 3.945 1.213 7.415 1.00 0.00 H new ATOM 0 HE3 LYS A 71 4.247 -0.087 6.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 3.325 -0.908 8.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 4.902 -1.504 8.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 4.608 -0.245 9.216 1.00 0.00 H new ATOM 1074 N ILE A 72 10.158 4.619 6.227 1.00 0.00 N ATOM 1075 CA ILE A 72 11.178 5.307 5.452 1.00 0.00 C ATOM 1076 C ILE A 72 12.502 4.618 5.755 1.00 0.00 C ATOM 1077 O ILE A 72 12.726 4.217 6.895 1.00 0.00 O ATOM 1078 CB ILE A 72 11.162 6.803 5.810 1.00 0.00 C ATOM 1079 CG1 ILE A 72 9.840 7.407 5.290 1.00 0.00 C ATOM 1080 CG2 ILE A 72 12.385 7.588 5.294 1.00 0.00 C ATOM 1081 CD1 ILE A 72 9.643 8.903 5.512 1.00 0.00 C ATOM 0 H ILE A 72 9.830 5.129 7.047 1.00 0.00 H new ATOM 0 HA ILE A 72 11.003 5.255 4.377 1.00 0.00 H new ATOM 0 HB ILE A 72 11.226 6.890 6.895 1.00 0.00 H new ATOM 0 HG12 ILE A 72 9.771 7.209 4.220 1.00 0.00 H new ATOM 0 HG13 ILE A 72 9.013 6.879 5.766 1.00 0.00 H new ATOM 0 HG21 ILE A 72 12.297 8.634 5.588 1.00 0.00 H new ATOM 0 HG22 ILE A 72 13.295 7.166 5.721 1.00 0.00 H new ATOM 0 HG23 ILE A 72 12.429 7.519 4.207 1.00 0.00 H new ATOM 0 HD11 ILE A 72 8.679 9.208 5.104 1.00 0.00 H new ATOM 0 HD12 ILE A 72 9.669 9.119 6.580 1.00 0.00 H new ATOM 0 HD13 ILE A 72 10.439 9.453 5.011 1.00 0.00 H new ATOM 1093 N ASN A 73 13.385 4.524 4.755 1.00 0.00 N ATOM 1094 CA ASN A 73 14.766 4.109 4.997 1.00 0.00 C ATOM 1095 C ASN A 73 15.473 5.240 5.759 1.00 0.00 C ATOM 1096 O ASN A 73 15.332 5.371 6.978 1.00 0.00 O ATOM 1097 CB ASN A 73 15.467 3.567 3.721 1.00 0.00 C ATOM 1098 CG ASN A 73 15.636 4.503 2.528 1.00 0.00 C ATOM 1099 OD1 ASN A 73 16.494 5.377 2.470 1.00 0.00 O ATOM 1100 ND2 ASN A 73 14.821 4.379 1.512 1.00 0.00 N ATOM 0 H ASN A 73 13.168 4.728 3.779 1.00 0.00 H new ATOM 0 HA ASN A 73 14.809 3.230 5.640 1.00 0.00 H new ATOM 0 HB2 ASN A 73 16.458 3.218 4.011 1.00 0.00 H new ATOM 0 HB3 ASN A 73 14.908 2.695 3.381 1.00 0.00 H new ATOM 0 HD21 ASN A 73 14.912 4.998 0.707 1.00 0.00 H new ATOM 0 HD22 ASN A 73 14.095 3.663 1.525 1.00 0.00 H new ATOM 1107 N LYS A 74 16.147 6.140 5.059 1.00 0.00 N ATOM 1108 CA LYS A 74 16.730 7.374 5.561 1.00 0.00 C ATOM 1109 C LYS A 74 16.474 8.510 4.585 1.00 0.00 C ATOM 1110 O LYS A 74 16.287 9.649 5.016 1.00 0.00 O ATOM 1111 CB LYS A 74 18.245 7.159 5.741 1.00 0.00 C ATOM 1112 CG LYS A 74 18.806 7.784 7.018 1.00 0.00 C ATOM 1113 CD LYS A 74 18.189 7.134 8.264 1.00 0.00 C ATOM 1114 CE LYS A 74 19.112 7.400 9.456 1.00 0.00 C ATOM 1115 NZ LYS A 74 18.626 6.865 10.746 1.00 0.00 N ATOM 0 H LYS A 74 16.312 6.019 4.060 1.00 0.00 H new ATOM 0 HA LYS A 74 16.276 7.638 6.516 1.00 0.00 H new ATOM 0 HB2 LYS A 74 18.453 6.089 5.749 1.00 0.00 H new ATOM 0 HB3 LYS A 74 18.767 7.579 4.881 1.00 0.00 H new ATOM 0 HG2 LYS A 74 19.889 7.665 7.040 1.00 0.00 H new ATOM 0 HG3 LYS A 74 18.602 8.855 7.023 1.00 0.00 H new ATOM 0 HD2 LYS A 74 17.197 7.544 8.454 1.00 0.00 H new ATOM 0 HD3 LYS A 74 18.067 6.062 8.111 1.00 0.00 H new ATOM 0 HE2 LYS A 74 20.090 6.968 9.244 1.00 0.00 H new ATOM 0 HE3 LYS A 74 19.254 8.476 9.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 19.311 7.090 11.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 17.707 7.295 10.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 18.517 5.833 10.675 1.00 0.00 H new ATOM 1129 N ALA A 75 16.390 8.194 3.288 1.00 0.00 N ATOM 1130 CA ALA A 75 16.425 9.180 2.217 1.00 0.00 C ATOM 1131 C ALA A 75 15.217 10.110 2.198 1.00 0.00 C ATOM 1132 O ALA A 75 15.298 11.170 1.584 1.00 0.00 O ATOM 1133 CB ALA A 75 16.534 8.467 0.862 1.00 0.00 C ATOM 0 H ALA A 75 16.295 7.235 2.955 1.00 0.00 H new ATOM 0 HA ALA A 75 17.299 9.804 2.404 1.00 0.00 H new ATOM 0 HB1 ALA A 75 16.560 9.207 0.062 1.00 0.00 H new ATOM 0 HB2 ALA A 75 17.447 7.873 0.836 1.00 0.00 H new ATOM 0 HB3 ALA A 75 15.672 7.814 0.724 1.00 0.00 H new ATOM 1139 N GLY A 76 14.103 9.704 2.814 1.00 0.00 N ATOM 1140 CA GLY A 76 12.797 10.274 2.527 1.00 0.00 C ATOM 1141 C GLY A 76 12.013 9.405 1.542 1.00 0.00 C ATOM 1142 O GLY A 76 10.893 9.753 1.170 1.00 0.00 O ATOM 0 H GLY A 76 14.088 8.972 3.524 1.00 0.00 H new ATOM 0 HA2 GLY A 76 12.232 10.377 3.453 1.00 0.00 H new ATOM 0 HA3 GLY A 76 12.918 11.276 2.114 1.00 0.00 H new ATOM 1146 N GLU A 77 12.572 8.272 1.112 1.00 0.00 N ATOM 1147 CA GLU A 77 11.859 7.240 0.374 1.00 0.00 C ATOM 1148 C GLU A 77 11.166 6.317 1.368 1.00 0.00 C ATOM 1149 O GLU A 77 11.788 5.867 2.333 1.00 0.00 O ATOM 1150 CB GLU A 77 12.817 6.431 -0.502 1.00 0.00 C ATOM 1151 CG GLU A 77 13.467 7.297 -1.582 1.00 0.00 C ATOM 1152 CD GLU A 77 14.269 6.418 -2.526 1.00 0.00 C ATOM 1153 OE1 GLU A 77 13.668 5.850 -3.457 1.00 0.00 O ATOM 1154 OE2 GLU A 77 15.483 6.252 -2.269 1.00 0.00 O ATOM 0 H GLU A 77 13.554 8.046 1.273 1.00 0.00 H new ATOM 0 HA GLU A 77 11.125 7.713 -0.278 1.00 0.00 H new ATOM 0 HB2 GLU A 77 13.592 5.986 0.122 1.00 0.00 H new ATOM 0 HB3 GLU A 77 12.275 5.610 -0.972 1.00 0.00 H new ATOM 0 HG2 GLU A 77 12.702 7.840 -2.137 1.00 0.00 H new ATOM 0 HG3 GLU A 77 14.117 8.042 -1.123 1.00 0.00 H new ATOM 1161 N LEU A 78 9.883 6.064 1.125 1.00 0.00 N ATOM 1162 CA LEU A 78 9.036 5.151 1.871 1.00 0.00 C ATOM 1163 C LEU A 78 9.183 3.767 1.259 1.00 0.00 C ATOM 1164 O LEU A 78 8.970 3.637 0.053 1.00 0.00 O ATOM 1165 CB LEU A 78 7.579 5.614 1.733 1.00 0.00 C ATOM 1166 CG LEU A 78 6.693 5.041 2.850 1.00 0.00 C ATOM 1167 CD1 LEU A 78 6.946 5.825 4.136 1.00 0.00 C ATOM 1168 CD2 LEU A 78 5.223 5.175 2.465 1.00 0.00 C ATOM 0 H LEU A 78 9.384 6.517 0.360 1.00 0.00 H new ATOM 0 HA LEU A 78 9.317 5.130 2.924 1.00 0.00 H new ATOM 0 HB2 LEU A 78 7.539 6.703 1.759 1.00 0.00 H new ATOM 0 HB3 LEU A 78 7.189 5.304 0.764 1.00 0.00 H new ATOM 0 HG LEU A 78 6.932 3.988 2.998 1.00 0.00 H new ATOM 0 HD11 LEU A 78 6.321 5.425 4.935 1.00 0.00 H new ATOM 0 HD12 LEU A 78 7.995 5.735 4.417 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.702 6.875 3.976 1.00 0.00 H new ATOM 0 HD21 LEU A 78 4.600 4.767 3.261 1.00 0.00 H new ATOM 0 HD22 LEU A 78 4.980 6.227 2.317 1.00 0.00 H new ATOM 0 HD23 LEU A 78 5.037 4.627 1.542 1.00 0.00 H new ATOM 1180 N VAL A 79 9.583 2.773 2.045 1.00 0.00 N ATOM 1181 CA VAL A 79 9.743 1.391 1.628 1.00 0.00 C ATOM 1182 C VAL A 79 8.945 0.511 2.600 1.00 0.00 C ATOM 1183 O VAL A 79 9.275 0.434 3.782 1.00 0.00 O ATOM 1184 CB VAL A 79 11.254 1.045 1.543 1.00 0.00 C ATOM 1185 CG1 VAL A 79 11.504 -0.257 0.766 1.00 0.00 C ATOM 1186 CG2 VAL A 79 12.094 2.173 0.925 1.00 0.00 C ATOM 0 H VAL A 79 9.813 2.917 3.028 1.00 0.00 H new ATOM 0 HA VAL A 79 9.347 1.212 0.629 1.00 0.00 H new ATOM 0 HB VAL A 79 11.574 0.912 2.577 1.00 0.00 H new ATOM 0 HG11 VAL A 79 12.574 -0.460 0.731 1.00 0.00 H new ATOM 0 HG12 VAL A 79 10.994 -1.082 1.264 1.00 0.00 H new ATOM 0 HG13 VAL A 79 11.121 -0.154 -0.249 1.00 0.00 H new ATOM 0 HG21 VAL A 79 13.141 1.871 0.893 1.00 0.00 H new ATOM 0 HG22 VAL A 79 11.743 2.375 -0.087 1.00 0.00 H new ATOM 0 HG23 VAL A 79 11.995 3.074 1.530 1.00 0.00 H new ATOM 1196 N LEU A 80 7.883 -0.153 2.147 1.00 0.00 N ATOM 1197 CA LEU A 80 7.149 -1.167 2.910 1.00 0.00 C ATOM 1198 C LEU A 80 6.902 -2.366 1.990 1.00 0.00 C ATOM 1199 O LEU A 80 6.569 -2.170 0.818 1.00 0.00 O ATOM 1200 CB LEU A 80 5.868 -0.577 3.532 1.00 0.00 C ATOM 1201 CG LEU A 80 4.683 -0.295 2.603 1.00 0.00 C ATOM 1202 CD1 LEU A 80 3.588 0.399 3.438 1.00 0.00 C ATOM 1203 CD2 LEU A 80 5.020 0.622 1.415 1.00 0.00 C ATOM 0 H LEU A 80 7.497 0.002 1.215 1.00 0.00 H new ATOM 0 HA LEU A 80 7.733 -1.513 3.763 1.00 0.00 H new ATOM 0 HB2 LEU A 80 5.528 -1.262 4.309 1.00 0.00 H new ATOM 0 HB3 LEU A 80 6.136 0.357 4.025 1.00 0.00 H new ATOM 0 HG LEU A 80 4.369 -1.252 2.186 1.00 0.00 H new ATOM 0 HD11 LEU A 80 2.728 0.614 2.804 1.00 0.00 H new ATOM 0 HD12 LEU A 80 3.282 -0.256 4.254 1.00 0.00 H new ATOM 0 HD13 LEU A 80 3.978 1.331 3.848 1.00 0.00 H new ATOM 0 HD21 LEU A 80 4.128 0.772 0.807 1.00 0.00 H new ATOM 0 HD22 LEU A 80 5.372 1.584 1.787 1.00 0.00 H new ATOM 0 HD23 LEU A 80 5.799 0.160 0.809 1.00 0.00 H new ATOM 1215 N THR A 81 7.141 -3.591 2.450 1.00 0.00 N ATOM 1216 CA THR A 81 6.882 -4.793 1.656 1.00 0.00 C ATOM 1217 C THR A 81 5.531 -5.313 2.124 1.00 0.00 C ATOM 1218 O THR A 81 5.140 -5.109 3.283 1.00 0.00 O ATOM 1219 CB THR A 81 8.047 -5.816 1.685 1.00 0.00 C ATOM 1220 OG1 THR A 81 8.040 -6.720 2.766 1.00 0.00 O ATOM 1221 CG2 THR A 81 9.419 -5.134 1.675 1.00 0.00 C ATOM 0 H THR A 81 7.518 -3.780 3.379 1.00 0.00 H new ATOM 0 HA THR A 81 6.833 -4.572 0.590 1.00 0.00 H new ATOM 0 HB THR A 81 7.876 -6.386 0.772 1.00 0.00 H new ATOM 0 HG1 THR A 81 7.584 -7.545 2.499 1.00 0.00 H new ATOM 0 HG21 THR A 81 10.202 -5.892 1.696 1.00 0.00 H new ATOM 0 HG22 THR A 81 9.520 -4.533 0.771 1.00 0.00 H new ATOM 0 HG23 THR A 81 9.512 -4.491 2.550 1.00 0.00 H new ATOM 1229 N SER A 82 4.765 -5.892 1.210 1.00 0.00 N ATOM 1230 CA SER A 82 3.582 -6.612 1.589 1.00 0.00 C ATOM 1231 C SER A 82 3.457 -7.816 0.686 1.00 0.00 C ATOM 1232 O SER A 82 3.516 -7.694 -0.540 1.00 0.00 O ATOM 1233 CB SER A 82 2.372 -5.684 1.570 1.00 0.00 C ATOM 1234 OG SER A 82 1.421 -6.265 2.433 1.00 0.00 O ATOM 0 H SER A 82 4.950 -5.871 0.207 1.00 0.00 H new ATOM 0 HA SER A 82 3.643 -6.979 2.614 1.00 0.00 H new ATOM 0 HB2 SER A 82 2.643 -4.683 1.906 1.00 0.00 H new ATOM 0 HB3 SER A 82 1.973 -5.584 0.561 1.00 0.00 H new ATOM 0 HG SER A 82 1.067 -7.083 2.026 1.00 0.00 H new ATOM 1240 N GLU A 83 3.323 -8.988 1.294 1.00 0.00 N ATOM 1241 CA GLU A 83 3.317 -10.251 0.596 1.00 0.00 C ATOM 1242 C GLU A 83 2.657 -11.343 1.432 1.00 0.00 C ATOM 1243 O GLU A 83 2.607 -11.246 2.663 1.00 0.00 O ATOM 1244 CB GLU A 83 4.757 -10.604 0.192 1.00 0.00 C ATOM 1245 CG GLU A 83 5.767 -10.927 1.304 1.00 0.00 C ATOM 1246 CD GLU A 83 6.042 -9.818 2.327 1.00 0.00 C ATOM 1247 OE1 GLU A 83 6.373 -8.672 1.938 1.00 0.00 O ATOM 1248 OE2 GLU A 83 6.071 -10.186 3.524 1.00 0.00 O ATOM 0 H GLU A 83 3.214 -9.080 2.304 1.00 0.00 H new ATOM 0 HA GLU A 83 2.717 -10.168 -0.310 1.00 0.00 H new ATOM 0 HB2 GLU A 83 4.713 -11.463 -0.477 1.00 0.00 H new ATOM 0 HB3 GLU A 83 5.154 -9.770 -0.386 1.00 0.00 H new ATOM 0 HG2 GLU A 83 5.412 -11.806 1.842 1.00 0.00 H new ATOM 0 HG3 GLU A 83 6.713 -11.201 0.836 1.00 0.00 H new ATOM 1255 N SER A 84 2.151 -12.383 0.763 1.00 0.00 N ATOM 1256 CA SER A 84 1.702 -13.645 1.345 1.00 0.00 C ATOM 1257 C SER A 84 1.334 -14.664 0.270 1.00 0.00 C ATOM 1258 O SER A 84 1.547 -15.855 0.488 1.00 0.00 O ATOM 1259 CB SER A 84 0.457 -13.441 2.214 1.00 0.00 C ATOM 1260 OG SER A 84 0.807 -12.940 3.487 1.00 0.00 O ATOM 0 H SER A 84 2.039 -12.363 -0.251 1.00 0.00 H new ATOM 0 HA SER A 84 2.536 -14.013 1.943 1.00 0.00 H new ATOM 0 HB2 SER A 84 -0.226 -12.748 1.721 1.00 0.00 H new ATOM 0 HB3 SER A 84 -0.073 -14.387 2.324 1.00 0.00 H new ATOM 0 HG SER A 84 1.668 -12.475 3.430 1.00 0.00 H new ATOM 1266 N SER A 85 0.741 -14.254 -0.858 1.00 0.00 N ATOM 1267 CA SER A 85 0.303 -15.204 -1.867 1.00 0.00 C ATOM 1268 C SER A 85 1.386 -15.339 -2.944 1.00 0.00 C ATOM 1269 O SER A 85 2.344 -14.561 -2.987 1.00 0.00 O ATOM 1270 CB SER A 85 -1.056 -14.733 -2.387 1.00 0.00 C ATOM 1271 OG SER A 85 -2.041 -14.837 -1.374 1.00 0.00 O ATOM 0 H SER A 85 0.558 -13.277 -1.087 1.00 0.00 H new ATOM 0 HA SER A 85 0.166 -16.209 -1.467 1.00 0.00 H new ATOM 0 HB2 SER A 85 -0.983 -13.700 -2.726 1.00 0.00 H new ATOM 0 HB3 SER A 85 -1.349 -15.332 -3.249 1.00 0.00 H new ATOM 0 HG SER A 85 -2.903 -14.530 -1.724 1.00 0.00 H new ATOM 1277 N ARG A 86 1.254 -16.332 -3.825 1.00 0.00 N ATOM 1278 CA ARG A 86 2.259 -16.623 -4.846 1.00 0.00 C ATOM 1279 C ARG A 86 2.311 -15.573 -5.955 1.00 0.00 C ATOM 1280 O ARG A 86 3.297 -15.534 -6.694 1.00 0.00 O ATOM 1281 CB ARG A 86 1.997 -18.004 -5.464 1.00 0.00 C ATOM 1282 CG ARG A 86 0.713 -18.039 -6.308 1.00 0.00 C ATOM 1283 CD ARG A 86 0.570 -19.332 -7.092 1.00 0.00 C ATOM 1284 NE ARG A 86 0.439 -20.534 -6.255 1.00 0.00 N ATOM 1285 CZ ARG A 86 -0.687 -21.017 -5.720 1.00 0.00 C ATOM 1286 NH1 ARG A 86 -1.758 -20.240 -5.560 1.00 0.00 N ATOM 1287 NH2 ARG A 86 -0.730 -22.289 -5.338 1.00 0.00 N ATOM 0 H ARG A 86 0.448 -16.956 -3.850 1.00 0.00 H new ATOM 0 HA ARG A 86 3.225 -16.608 -4.342 1.00 0.00 H new ATOM 0 HB2 ARG A 86 2.845 -18.286 -6.088 1.00 0.00 H new ATOM 0 HB3 ARG A 86 1.925 -18.746 -4.669 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -0.151 -17.916 -5.655 1.00 0.00 H new ATOM 0 HG3 ARG A 86 0.713 -17.196 -6.999 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -0.304 -19.257 -7.739 1.00 0.00 H new ATOM 0 HD3 ARG A 86 1.438 -19.448 -7.741 1.00 0.00 H new ATOM 0 HE ARG A 86 1.296 -21.053 -6.063 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -1.726 -19.262 -5.847 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -2.610 -20.624 -5.150 1.00 0.00 H new ATOM 0 HH21 ARG A 86 0.090 -22.884 -5.454 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -1.583 -22.670 -4.928 1.00 0.00 H new ATOM 1301 N TYR A 87 1.244 -14.804 -6.165 1.00 0.00 N ATOM 1302 CA TYR A 87 1.116 -13.974 -7.342 1.00 0.00 C ATOM 1303 C TYR A 87 2.028 -12.745 -7.217 1.00 0.00 C ATOM 1304 O TYR A 87 2.597 -12.501 -6.146 1.00 0.00 O ATOM 1305 CB TYR A 87 -0.353 -13.591 -7.454 1.00 0.00 C ATOM 1306 CG TYR A 87 -1.347 -14.675 -7.055 1.00 0.00 C ATOM 1307 CD1 TYR A 87 -1.532 -15.832 -7.838 1.00 0.00 C ATOM 1308 CD2 TYR A 87 -2.017 -14.558 -5.826 1.00 0.00 C ATOM 1309 CE1 TYR A 87 -2.344 -16.883 -7.364 1.00 0.00 C ATOM 1310 CE2 TYR A 87 -2.850 -15.584 -5.361 1.00 0.00 C ATOM 1311 CZ TYR A 87 -2.997 -16.768 -6.113 1.00 0.00 C ATOM 1312 OH TYR A 87 -3.715 -17.809 -5.610 1.00 0.00 O ATOM 0 H TYR A 87 0.453 -14.745 -5.523 1.00 0.00 H new ATOM 0 HA TYR A 87 1.427 -14.499 -8.245 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -0.530 -12.714 -6.832 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -0.556 -13.298 -8.484 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -1.052 -15.914 -8.802 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -1.888 -13.665 -5.232 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -2.468 -17.777 -7.956 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -3.379 -15.468 -4.427 1.00 0.00 H new ATOM 0 HH TYR A 87 -4.094 -17.556 -4.742 1.00 0.00 H new ATOM 1322 N GLN A 88 2.152 -11.949 -8.285 1.00 0.00 N ATOM 1323 CA GLN A 88 2.954 -10.729 -8.251 1.00 0.00 C ATOM 1324 C GLN A 88 2.068 -9.515 -7.952 1.00 0.00 C ATOM 1325 O GLN A 88 2.012 -9.087 -6.796 1.00 0.00 O ATOM 1326 CB GLN A 88 3.800 -10.567 -9.526 1.00 0.00 C ATOM 1327 CG GLN A 88 4.979 -11.556 -9.621 1.00 0.00 C ATOM 1328 CD GLN A 88 4.644 -12.870 -10.322 1.00 0.00 C ATOM 1329 OE1 GLN A 88 4.100 -12.876 -11.424 1.00 0.00 O ATOM 1330 NE2 GLN A 88 4.956 -14.020 -9.743 1.00 0.00 N ATOM 0 H GLN A 88 1.705 -12.132 -9.183 1.00 0.00 H new ATOM 0 HA GLN A 88 3.672 -10.806 -7.435 1.00 0.00 H new ATOM 0 HB2 GLN A 88 3.157 -10.698 -10.396 1.00 0.00 H new ATOM 0 HB3 GLN A 88 4.188 -9.549 -9.567 1.00 0.00 H new ATOM 0 HG2 GLN A 88 5.800 -11.074 -10.152 1.00 0.00 H new ATOM 0 HG3 GLN A 88 5.335 -11.776 -8.615 1.00 0.00 H new ATOM 0 HE21 GLN A 88 5.408 -14.025 -8.828 1.00 0.00 H new ATOM 0 HE22 GLN A 88 4.745 -14.901 -10.212 1.00 0.00 H new ATOM 1339 N PHE A 89 1.340 -9.011 -8.961 1.00 0.00 N ATOM 1340 CA PHE A 89 0.378 -7.907 -8.871 1.00 0.00 C ATOM 1341 C PHE A 89 -0.502 -8.008 -7.617 1.00 0.00 C ATOM 1342 O PHE A 89 -0.743 -6.989 -6.995 1.00 0.00 O ATOM 1343 CB PHE A 89 -0.441 -7.812 -10.171 1.00 0.00 C ATOM 1344 CG PHE A 89 -1.851 -7.265 -10.046 1.00 0.00 C ATOM 1345 CD1 PHE A 89 -2.084 -5.931 -9.643 1.00 0.00 C ATOM 1346 CD2 PHE A 89 -2.939 -8.101 -10.366 1.00 0.00 C ATOM 1347 CE1 PHE A 89 -3.410 -5.466 -9.558 1.00 0.00 C ATOM 1348 CE2 PHE A 89 -4.255 -7.615 -10.300 1.00 0.00 C ATOM 1349 CZ PHE A 89 -4.491 -6.296 -9.893 1.00 0.00 C ATOM 0 H PHE A 89 1.412 -9.383 -9.908 1.00 0.00 H new ATOM 0 HA PHE A 89 0.932 -6.975 -8.761 1.00 0.00 H new ATOM 0 HB2 PHE A 89 0.107 -7.185 -10.874 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -0.499 -8.808 -10.611 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -1.258 -5.278 -9.404 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -2.760 -9.123 -10.664 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -3.598 -4.454 -9.230 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -5.083 -8.257 -10.562 1.00 0.00 H new ATOM 0 HZ PHE A 89 -5.501 -5.919 -9.837 1.00 0.00 H new ATOM 1359 N ARG A 90 -0.942 -9.189 -7.175 1.00 0.00 N ATOM 1360 CA ARG A 90 -1.738 -9.338 -5.948 1.00 0.00 C ATOM 1361 C ARG A 90 -1.056 -8.792 -4.691 1.00 0.00 C ATOM 1362 O ARG A 90 -1.679 -8.052 -3.928 1.00 0.00 O ATOM 1363 CB ARG A 90 -2.027 -10.817 -5.711 1.00 0.00 C ATOM 1364 CG ARG A 90 -3.115 -11.047 -4.664 1.00 0.00 C ATOM 1365 CD ARG A 90 -4.477 -10.952 -5.338 1.00 0.00 C ATOM 1366 NE ARG A 90 -5.342 -9.888 -4.793 1.00 0.00 N ATOM 1367 CZ ARG A 90 -5.951 -9.859 -3.598 1.00 0.00 C ATOM 1368 NH1 ARG A 90 -5.628 -10.699 -2.620 1.00 0.00 N ATOM 1369 NH2 ARG A 90 -6.920 -8.977 -3.384 1.00 0.00 N ATOM 0 H ARG A 90 -0.758 -10.070 -7.655 1.00 0.00 H new ATOM 0 HA ARG A 90 -2.645 -8.756 -6.109 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -2.330 -11.278 -6.651 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -1.111 -11.315 -5.392 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -2.991 -12.026 -4.201 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -3.036 -10.306 -3.869 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -4.332 -10.778 -6.404 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -4.988 -11.909 -5.238 1.00 0.00 H new ATOM 0 HE ARG A 90 -5.495 -9.079 -5.396 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -4.896 -11.394 -2.766 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -6.112 -10.648 -1.724 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -7.194 -8.331 -4.124 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -7.390 -8.946 -2.479 1.00 0.00 H new ATOM 1383 N ASN A 91 0.181 -9.222 -4.430 1.00 0.00 N ATOM 1384 CA ASN A 91 0.921 -8.828 -3.232 1.00 0.00 C ATOM 1385 C ASN A 91 1.202 -7.332 -3.334 1.00 0.00 C ATOM 1386 O ASN A 91 0.929 -6.557 -2.418 1.00 0.00 O ATOM 1387 CB ASN A 91 2.237 -9.624 -3.115 1.00 0.00 C ATOM 1388 CG ASN A 91 2.082 -11.037 -2.563 1.00 0.00 C ATOM 1389 OD1 ASN A 91 1.057 -11.438 -2.018 1.00 0.00 O ATOM 1390 ND2 ASN A 91 3.080 -11.876 -2.726 1.00 0.00 N ATOM 0 H ASN A 91 0.696 -9.853 -5.044 1.00 0.00 H new ATOM 0 HA ASN A 91 0.335 -9.043 -2.338 1.00 0.00 H new ATOM 0 HB2 ASN A 91 2.699 -9.683 -4.101 1.00 0.00 H new ATOM 0 HB3 ASN A 91 2.924 -9.072 -2.474 1.00 0.00 H new ATOM 0 HD21 ASN A 91 2.994 -12.839 -2.402 1.00 0.00 H new ATOM 0 HD22 ASN A 91 3.940 -11.564 -3.176 1.00 0.00 H new ATOM 1397 N LEU A 92 1.671 -6.929 -4.514 1.00 0.00 N ATOM 1398 CA LEU A 92 1.913 -5.556 -4.924 1.00 0.00 C ATOM 1399 C LEU A 92 0.648 -4.691 -4.719 1.00 0.00 C ATOM 1400 O LEU A 92 0.726 -3.549 -4.270 1.00 0.00 O ATOM 1401 CB LEU A 92 2.421 -5.660 -6.373 1.00 0.00 C ATOM 1402 CG LEU A 92 2.893 -4.400 -7.109 1.00 0.00 C ATOM 1403 CD1 LEU A 92 1.859 -3.818 -8.052 1.00 0.00 C ATOM 1404 CD2 LEU A 92 3.522 -3.350 -6.202 1.00 0.00 C ATOM 0 H LEU A 92 1.905 -7.596 -5.250 1.00 0.00 H new ATOM 0 HA LEU A 92 2.661 -5.039 -4.322 1.00 0.00 H new ATOM 0 HB2 LEU A 92 3.250 -6.368 -6.377 1.00 0.00 H new ATOM 0 HB3 LEU A 92 1.621 -6.103 -6.967 1.00 0.00 H new ATOM 0 HG LEU A 92 3.704 -4.754 -7.746 1.00 0.00 H new ATOM 0 HD11 LEU A 92 2.266 -2.930 -8.535 1.00 0.00 H new ATOM 0 HD12 LEU A 92 1.601 -4.557 -8.810 1.00 0.00 H new ATOM 0 HD13 LEU A 92 0.965 -3.548 -7.490 1.00 0.00 H new ATOM 0 HD21 LEU A 92 3.829 -2.491 -6.798 1.00 0.00 H new ATOM 0 HD22 LEU A 92 2.795 -3.032 -5.455 1.00 0.00 H new ATOM 0 HD23 LEU A 92 4.393 -3.775 -5.703 1.00 0.00 H new ATOM 1416 N ALA A 93 -0.540 -5.251 -4.947 1.00 0.00 N ATOM 1417 CA ALA A 93 -1.827 -4.594 -4.792 1.00 0.00 C ATOM 1418 C ALA A 93 -2.233 -4.398 -3.329 1.00 0.00 C ATOM 1419 O ALA A 93 -2.916 -3.410 -3.044 1.00 0.00 O ATOM 1420 CB ALA A 93 -2.918 -5.371 -5.540 1.00 0.00 C ATOM 0 H ALA A 93 -0.630 -6.218 -5.258 1.00 0.00 H new ATOM 0 HA ALA A 93 -1.718 -3.600 -5.225 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -3.876 -4.866 -5.414 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -2.669 -5.418 -6.600 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -2.985 -6.382 -5.138 1.00 0.00 H new ATOM 1426 N GLU A 94 -1.830 -5.268 -2.393 1.00 0.00 N ATOM 1427 CA GLU A 94 -1.987 -4.968 -0.972 1.00 0.00 C ATOM 1428 C GLU A 94 -1.093 -3.786 -0.639 1.00 0.00 C ATOM 1429 O GLU A 94 -1.507 -2.894 0.100 1.00 0.00 O ATOM 1430 CB GLU A 94 -1.627 -6.165 -0.085 1.00 0.00 C ATOM 1431 CG GLU A 94 -1.564 -5.760 1.395 1.00 0.00 C ATOM 1432 CD GLU A 94 -1.611 -6.940 2.366 1.00 0.00 C ATOM 1433 OE1 GLU A 94 -1.631 -8.126 1.932 1.00 0.00 O ATOM 1434 OE2 GLU A 94 -1.571 -6.670 3.585 1.00 0.00 O ATOM 0 H GLU A 94 -1.400 -6.171 -2.594 1.00 0.00 H new ATOM 0 HA GLU A 94 -3.033 -4.734 -0.776 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -2.367 -6.955 -0.218 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -0.665 -6.574 -0.394 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -0.647 -5.197 1.568 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -2.396 -5.090 1.613 1.00 0.00 H new ATOM 1441 N CYS A 95 0.110 -3.752 -1.214 1.00 0.00 N ATOM 1442 CA CYS A 95 0.990 -2.623 -1.039 1.00 0.00 C ATOM 1443 C CYS A 95 0.275 -1.326 -1.448 1.00 0.00 C ATOM 1444 O CYS A 95 0.228 -0.375 -0.660 1.00 0.00 O ATOM 1445 CB CYS A 95 2.308 -2.847 -1.789 1.00 0.00 C ATOM 1446 SG CYS A 95 3.642 -3.094 -0.583 1.00 0.00 S ATOM 0 H CYS A 95 0.486 -4.497 -1.801 1.00 0.00 H new ATOM 0 HA CYS A 95 1.249 -2.521 0.015 1.00 0.00 H new ATOM 0 HB2 CYS A 95 2.226 -3.716 -2.442 1.00 0.00 H new ATOM 0 HB3 CYS A 95 2.530 -1.990 -2.425 1.00 0.00 H new ATOM 0 HG CYS A 95 4.764 -3.287 -1.211 1.00 0.00 H new ATOM 1452 N LEU A 96 -0.330 -1.273 -2.637 1.00 0.00 N ATOM 1453 CA LEU A 96 -1.046 -0.062 -3.041 1.00 0.00 C ATOM 1454 C LEU A 96 -2.238 0.218 -2.123 1.00 0.00 C ATOM 1455 O LEU A 96 -2.593 1.380 -1.931 1.00 0.00 O ATOM 1456 CB LEU A 96 -1.530 -0.108 -4.487 1.00 0.00 C ATOM 1457 CG LEU A 96 -0.535 -0.580 -5.558 1.00 0.00 C ATOM 1458 CD1 LEU A 96 -1.152 -0.179 -6.903 1.00 0.00 C ATOM 1459 CD2 LEU A 96 0.897 -0.041 -5.420 1.00 0.00 C ATOM 0 H LEU A 96 -0.340 -2.031 -3.319 1.00 0.00 H new ATOM 0 HA LEU A 96 -0.319 0.746 -2.955 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -2.402 -0.761 -4.528 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -1.867 0.892 -4.760 1.00 0.00 H new ATOM 0 HG LEU A 96 -0.397 -1.656 -5.452 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -0.491 -0.487 -7.713 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -2.120 -0.667 -7.019 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -1.284 0.902 -6.935 1.00 0.00 H new ATOM 0 HD21 LEU A 96 1.514 -0.437 -6.227 1.00 0.00 H new ATOM 0 HD22 LEU A 96 0.883 1.048 -5.475 1.00 0.00 H new ATOM 0 HD23 LEU A 96 1.311 -0.351 -4.461 1.00 0.00 H new ATOM 1471 N GLN A 97 -2.853 -0.822 -1.553 1.00 0.00 N ATOM 1472 CA GLN A 97 -3.903 -0.664 -0.563 1.00 0.00 C ATOM 1473 C GLN A 97 -3.360 0.046 0.677 1.00 0.00 C ATOM 1474 O GLN A 97 -4.020 0.964 1.153 1.00 0.00 O ATOM 1475 CB GLN A 97 -4.530 -2.020 -0.194 1.00 0.00 C ATOM 1476 CG GLN A 97 -5.976 -1.885 0.304 1.00 0.00 C ATOM 1477 CD GLN A 97 -6.935 -1.696 -0.864 1.00 0.00 C ATOM 1478 OE1 GLN A 97 -7.169 -2.630 -1.632 1.00 0.00 O ATOM 1479 NE2 GLN A 97 -7.470 -0.507 -1.069 1.00 0.00 N ATOM 0 H GLN A 97 -2.632 -1.794 -1.770 1.00 0.00 H new ATOM 0 HA GLN A 97 -4.691 -0.047 -0.996 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -4.509 -2.675 -1.065 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -3.927 -2.497 0.578 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -6.255 -2.774 0.869 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -6.053 -1.037 0.985 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -7.270 0.260 -0.427 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -8.084 -0.355 -1.869 1.00 0.00 H new ATOM 1488 N LYS A 98 -2.182 -0.325 1.205 1.00 0.00 N ATOM 1489 CA LYS A 98 -1.722 0.346 2.421 1.00 0.00 C ATOM 1490 C LYS A 98 -1.286 1.747 2.099 1.00 0.00 C ATOM 1491 O LYS A 98 -1.632 2.640 2.833 1.00 0.00 O ATOM 1492 CB LYS A 98 -0.639 -0.339 3.242 1.00 0.00 C ATOM 1493 CG LYS A 98 -0.826 -1.856 3.399 1.00 0.00 C ATOM 1494 CD LYS A 98 0.394 -2.698 3.018 1.00 0.00 C ATOM 1495 CE LYS A 98 0.780 -3.718 4.088 1.00 0.00 C ATOM 1496 NZ LYS A 98 -0.358 -4.438 4.708 1.00 0.00 N ATOM 0 H LYS A 98 -1.564 -1.045 0.831 1.00 0.00 H new ATOM 0 HA LYS A 98 -2.599 0.315 3.067 1.00 0.00 H new ATOM 0 HB2 LYS A 98 0.328 -0.151 2.775 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -0.609 0.116 4.232 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -1.088 -2.070 4.435 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -1.671 -2.169 2.786 1.00 0.00 H new ATOM 0 HD2 LYS A 98 0.189 -3.221 2.084 1.00 0.00 H new ATOM 0 HD3 LYS A 98 1.241 -2.037 2.834 1.00 0.00 H new ATOM 0 HE2 LYS A 98 1.455 -4.450 3.644 1.00 0.00 H new ATOM 0 HE3 LYS A 98 1.337 -3.206 4.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 0.003 -5.154 5.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -0.958 -3.762 5.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -0.919 -4.904 3.967 1.00 0.00 H new ATOM 1510 N ILE A 99 -0.608 1.991 0.980 1.00 0.00 N ATOM 1511 CA ILE A 99 -0.360 3.344 0.508 1.00 0.00 C ATOM 1512 C ILE A 99 -1.651 4.181 0.608 1.00 0.00 C ATOM 1513 O ILE A 99 -1.608 5.264 1.183 1.00 0.00 O ATOM 1514 CB ILE A 99 0.272 3.249 -0.895 1.00 0.00 C ATOM 1515 CG1 ILE A 99 1.711 2.707 -0.743 1.00 0.00 C ATOM 1516 CG2 ILE A 99 0.292 4.595 -1.629 1.00 0.00 C ATOM 1517 CD1 ILE A 99 2.272 2.106 -2.032 1.00 0.00 C ATOM 0 H ILE A 99 -0.220 1.261 0.382 1.00 0.00 H new ATOM 0 HA ILE A 99 0.355 3.881 1.131 1.00 0.00 H new ATOM 0 HB ILE A 99 -0.338 2.577 -1.499 1.00 0.00 H new ATOM 0 HG12 ILE A 99 2.363 3.516 -0.414 1.00 0.00 H new ATOM 0 HG13 ILE A 99 1.725 1.948 0.039 1.00 0.00 H new ATOM 0 HG21 ILE A 99 0.748 4.467 -2.611 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -0.728 4.960 -1.747 1.00 0.00 H new ATOM 0 HG23 ILE A 99 0.871 5.316 -1.051 1.00 0.00 H new ATOM 0 HD11 ILE A 99 3.285 1.745 -1.854 1.00 0.00 H new ATOM 0 HD12 ILE A 99 1.642 1.276 -2.351 1.00 0.00 H new ATOM 0 HD13 ILE A 99 2.290 2.868 -2.811 1.00 0.00 H new ATOM 1529 N ARG A 100 -2.797 3.671 0.145 1.00 0.00 N ATOM 1530 CA ARG A 100 -4.081 4.362 0.235 1.00 0.00 C ATOM 1531 C ARG A 100 -4.532 4.514 1.685 1.00 0.00 C ATOM 1532 O ARG A 100 -5.098 5.557 2.000 1.00 0.00 O ATOM 1533 CB ARG A 100 -5.137 3.612 -0.596 1.00 0.00 C ATOM 1534 CG ARG A 100 -4.895 3.766 -2.101 1.00 0.00 C ATOM 1535 CD ARG A 100 -5.651 2.729 -2.941 1.00 0.00 C ATOM 1536 NE ARG A 100 -7.106 2.841 -2.779 1.00 0.00 N ATOM 1537 CZ ARG A 100 -8.050 2.288 -3.545 1.00 0.00 C ATOM 1538 NH1 ARG A 100 -7.739 1.518 -4.587 1.00 0.00 N ATOM 1539 NH2 ARG A 100 -9.318 2.535 -3.248 1.00 0.00 N ATOM 0 H ARG A 100 -2.857 2.758 -0.306 1.00 0.00 H new ATOM 0 HA ARG A 100 -3.961 5.366 -0.172 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -5.122 2.554 -0.332 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -6.129 3.989 -0.347 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -5.197 4.766 -2.411 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -3.827 3.679 -2.302 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -5.393 2.857 -3.992 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -5.331 1.727 -2.654 1.00 0.00 H new ATOM 0 HE ARG A 100 -7.432 3.404 -1.994 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -6.761 1.339 -4.815 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -8.479 1.107 -5.156 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -9.549 3.132 -2.454 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -10.063 2.128 -3.813 1.00 0.00 H new ATOM 1553 N ASP A 101 -4.299 3.522 2.545 1.00 0.00 N ATOM 1554 CA ASP A 101 -4.592 3.576 3.979 1.00 0.00 C ATOM 1555 C ASP A 101 -3.762 4.644 4.687 1.00 0.00 C ATOM 1556 O ASP A 101 -4.305 5.494 5.380 1.00 0.00 O ATOM 1557 CB ASP A 101 -4.434 2.198 4.663 1.00 0.00 C ATOM 1558 CG ASP A 101 -3.322 2.074 5.709 1.00 0.00 C ATOM 1559 OD1 ASP A 101 -3.533 2.577 6.828 1.00 0.00 O ATOM 1560 OD2 ASP A 101 -2.292 1.419 5.459 1.00 0.00 O ATOM 0 H ASP A 101 -3.890 2.634 2.256 1.00 0.00 H new ATOM 0 HA ASP A 101 -5.641 3.859 4.070 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -5.380 1.944 5.141 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -4.258 1.452 3.888 1.00 0.00 H new ATOM 1565 N MET A 102 -2.452 4.631 4.481 1.00 0.00 N ATOM 1566 CA MET A 102 -1.490 5.498 5.129 1.00 0.00 C ATOM 1567 C MET A 102 -1.772 6.952 4.739 1.00 0.00 C ATOM 1568 O MET A 102 -1.651 7.858 5.558 1.00 0.00 O ATOM 1569 CB MET A 102 -0.071 5.033 4.741 1.00 0.00 C ATOM 1570 CG MET A 102 0.203 3.574 5.215 1.00 0.00 C ATOM 1571 SD MET A 102 1.877 3.156 5.775 1.00 0.00 S ATOM 1572 CE MET A 102 2.775 3.630 4.299 1.00 0.00 C ATOM 0 H MET A 102 -2.015 3.983 3.825 1.00 0.00 H new ATOM 0 HA MET A 102 -1.571 5.442 6.215 1.00 0.00 H new ATOM 0 HB2 MET A 102 0.050 5.094 3.659 1.00 0.00 H new ATOM 0 HB3 MET A 102 0.666 5.704 5.182 1.00 0.00 H new ATOM 0 HG2 MET A 102 -0.486 3.354 6.031 1.00 0.00 H new ATOM 0 HG3 MET A 102 -0.051 2.904 4.394 1.00 0.00 H new ATOM 0 HE1 MET A 102 3.841 3.463 4.452 1.00 0.00 H new ATOM 0 HE2 MET A 102 2.431 3.031 3.456 1.00 0.00 H new ATOM 0 HE3 MET A 102 2.599 4.685 4.089 1.00 0.00 H new ATOM 1582 N ILE A 103 -2.186 7.181 3.491 1.00 0.00 N ATOM 1583 CA ILE A 103 -2.536 8.495 2.958 1.00 0.00 C ATOM 1584 C ILE A 103 -3.869 8.941 3.553 1.00 0.00 C ATOM 1585 O ILE A 103 -3.992 10.077 4.011 1.00 0.00 O ATOM 1586 CB ILE A 103 -2.511 8.397 1.413 1.00 0.00 C ATOM 1587 CG1 ILE A 103 -1.019 8.430 1.008 1.00 0.00 C ATOM 1588 CG2 ILE A 103 -3.326 9.444 0.627 1.00 0.00 C ATOM 1589 CD1 ILE A 103 -0.752 7.873 -0.383 1.00 0.00 C ATOM 0 H ILE A 103 -2.289 6.434 2.805 1.00 0.00 H new ATOM 0 HA ILE A 103 -1.823 9.270 3.239 1.00 0.00 H new ATOM 0 HB ILE A 103 -3.020 7.473 1.139 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -0.662 9.459 1.053 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -0.441 7.860 1.735 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -3.221 9.259 -0.442 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -4.377 9.371 0.906 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -2.957 10.443 0.861 1.00 0.00 H new ATOM 0 HD11 ILE A 103 0.315 7.928 -0.598 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -1.078 6.834 -0.428 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -1.302 8.457 -1.121 1.00 0.00 H new ATOM 1601 N ALA A 104 -4.847 8.037 3.584 1.00 0.00 N ATOM 1602 CA ALA A 104 -6.150 8.270 4.170 1.00 0.00 C ATOM 1603 C ALA A 104 -6.036 8.666 5.638 1.00 0.00 C ATOM 1604 O ALA A 104 -6.638 9.661 6.050 1.00 0.00 O ATOM 1605 CB ALA A 104 -6.979 6.997 4.034 1.00 0.00 C ATOM 0 H ALA A 104 -4.745 7.102 3.190 1.00 0.00 H new ATOM 0 HA ALA A 104 -6.633 9.094 3.645 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -7.965 7.156 4.471 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -7.086 6.744 2.979 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -6.479 6.180 4.554 1.00 0.00 H new ATOM 1611 N GLU A 105 -5.302 7.878 6.422 1.00 0.00 N ATOM 1612 CA GLU A 105 -5.208 8.056 7.859 1.00 0.00 C ATOM 1613 C GLU A 105 -4.465 9.351 8.176 1.00 0.00 C ATOM 1614 O GLU A 105 -4.847 10.060 9.100 1.00 0.00 O ATOM 1615 CB GLU A 105 -4.640 6.791 8.534 1.00 0.00 C ATOM 1616 CG GLU A 105 -3.115 6.696 8.729 1.00 0.00 C ATOM 1617 CD GLU A 105 -2.714 5.496 9.609 1.00 0.00 C ATOM 1618 OE1 GLU A 105 -3.527 4.554 9.782 1.00 0.00 O ATOM 1619 OE2 GLU A 105 -1.623 5.489 10.220 1.00 0.00 O ATOM 0 H GLU A 105 -4.754 7.094 6.069 1.00 0.00 H new ATOM 0 HA GLU A 105 -6.201 8.175 8.292 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -5.108 6.697 9.514 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -4.955 5.929 7.946 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -2.631 6.609 7.756 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -2.751 7.617 9.185 1.00 0.00 H new ATOM 1626 N ALA A 106 -3.456 9.697 7.373 1.00 0.00 N ATOM 1627 CA ALA A 106 -2.715 10.943 7.476 1.00 0.00 C ATOM 1628 C ALA A 106 -3.560 12.171 7.113 1.00 0.00 C ATOM 1629 O ALA A 106 -3.243 13.279 7.556 1.00 0.00 O ATOM 1630 CB ALA A 106 -1.500 10.833 6.555 1.00 0.00 C ATOM 0 H ALA A 106 -3.128 9.098 6.615 1.00 0.00 H new ATOM 0 HA ALA A 106 -2.412 11.090 8.513 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -0.919 11.754 6.607 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -0.879 9.994 6.870 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -1.834 10.673 5.530 1.00 0.00 H new ATOM 1636 N SER A 107 -4.608 11.998 6.306 1.00 0.00 N ATOM 1637 CA SER A 107 -5.556 13.055 5.974 1.00 0.00 C ATOM 1638 C SER A 107 -6.392 13.373 7.229 1.00 0.00 C ATOM 1639 O SER A 107 -6.565 14.545 7.584 1.00 0.00 O ATOM 1640 CB SER A 107 -6.401 12.584 4.771 1.00 0.00 C ATOM 1641 OG SER A 107 -6.969 13.637 4.008 1.00 0.00 O ATOM 0 H SER A 107 -4.822 11.106 5.860 1.00 0.00 H new ATOM 0 HA SER A 107 -5.062 13.981 5.679 1.00 0.00 H new ATOM 0 HB2 SER A 107 -5.775 11.975 4.119 1.00 0.00 H new ATOM 0 HB3 SER A 107 -7.203 11.941 5.135 1.00 0.00 H new ATOM 0 HG SER A 107 -6.446 13.767 3.190 1.00 0.00 H new ATOM 1647 N GLY A 108 -6.865 12.329 7.921 1.00 0.00 N ATOM 1648 CA GLY A 108 -7.788 12.381 9.050 1.00 0.00 C ATOM 1649 C GLY A 108 -7.097 12.607 10.404 1.00 0.00 C ATOM 1650 O GLY A 108 -6.005 13.184 10.460 1.00 0.00 O ATOM 0 H GLY A 108 -6.595 11.373 7.691 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -8.509 13.181 8.882 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -8.351 11.449 9.091 1.00 0.00 H new ATOM 1654 N PRO A 109 -7.756 12.258 11.527 1.00 0.00 N ATOM 1655 CA PRO A 109 -7.162 12.324 12.858 1.00 0.00 C ATOM 1656 C PRO A 109 -6.103 11.227 13.020 1.00 0.00 C ATOM 1657 O PRO A 109 -6.452 10.044 13.050 1.00 0.00 O ATOM 1658 CB PRO A 109 -8.327 12.154 13.840 1.00 0.00 C ATOM 1659 CG PRO A 109 -9.364 11.356 13.052 1.00 0.00 C ATOM 1660 CD PRO A 109 -9.136 11.790 11.606 1.00 0.00 C ATOM 0 HA PRO A 109 -6.646 13.267 13.038 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -8.016 11.624 14.740 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -8.724 13.118 14.159 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -9.220 10.283 13.175 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -10.378 11.582 13.382 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -9.304 10.959 10.921 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -9.831 12.581 11.324 1.00 0.00 H new ATOM 1668 N SER A 110 -4.826 11.578 13.180 1.00 0.00 N ATOM 1669 CA SER A 110 -3.741 10.607 13.277 1.00 0.00 C ATOM 1670 C SER A 110 -2.761 11.037 14.362 1.00 0.00 C ATOM 1671 O SER A 110 -2.062 12.043 14.210 1.00 0.00 O ATOM 1672 CB SER A 110 -3.080 10.418 11.906 1.00 0.00 C ATOM 1673 OG SER A 110 -2.585 9.097 11.768 1.00 0.00 O ATOM 0 H SER A 110 -4.517 12.548 13.246 1.00 0.00 H new ATOM 0 HA SER A 110 -4.132 9.633 13.571 1.00 0.00 H new ATOM 0 HB2 SER A 110 -3.802 10.626 11.116 1.00 0.00 H new ATOM 0 HB3 SER A 110 -2.265 11.132 11.788 1.00 0.00 H new ATOM 0 HG SER A 110 -2.168 8.994 10.887 1.00 0.00 H new ATOM 1679 N SER A 111 -2.740 10.294 15.468 1.00 0.00 N ATOM 1680 CA SER A 111 -1.849 10.520 16.600 1.00 0.00 C ATOM 1681 C SER A 111 -0.397 10.146 16.246 1.00 0.00 C ATOM 1682 O SER A 111 -0.125 9.576 15.178 1.00 0.00 O ATOM 1683 CB SER A 111 -2.361 9.708 17.798 1.00 0.00 C ATOM 1684 OG SER A 111 -3.713 10.032 18.098 1.00 0.00 O ATOM 0 H SER A 111 -3.361 9.496 15.603 1.00 0.00 H new ATOM 0 HA SER A 111 -1.847 11.579 16.858 1.00 0.00 H new ATOM 0 HB2 SER A 111 -2.279 8.643 17.581 1.00 0.00 H new ATOM 0 HB3 SER A 111 -1.735 9.905 18.668 1.00 0.00 H new ATOM 0 HG SER A 111 -4.015 9.500 18.864 1.00 0.00 H new ATOM 1690 N GLY A 112 0.543 10.444 17.142 1.00 0.00 N ATOM 1691 CA GLY A 112 1.938 10.026 17.085 1.00 0.00 C ATOM 1692 C GLY A 112 2.425 9.682 18.479 1.00 0.00 C ATOM 1693 O GLY A 112 1.605 9.583 19.413 1.00 0.00 O ATOM 0 H GLY A 112 0.340 11.011 17.966 1.00 0.00 H new ATOM 0 HA2 GLY A 112 2.042 9.162 16.429 1.00 0.00 H new ATOM 0 HA3 GLY A 112 2.550 10.823 16.662 1.00 0.00 H new TER 1697 GLY A 112