USER MOD reduce.3.24.130724 H: found=0, std=0, add=951, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 949 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 108 HIS : no HD1:sc=-0.00884 K(o=-0.82,f=-1.4) USER MOD Set 1.2: A 112 SER OG : rot -160:sc= -0.809 USER MOD Set 2.1: A 105 GLN : amide:sc= -0.107 X(o=-0.38,f=-0.82) USER MOD Set 2.2: A 107 GLN : amide:sc= -0.273 X(o=-0.38,f=-0.093) USER MOD Set 3.1: A 89 TYR OH : rot 15:sc= -1.19 USER MOD Set 3.2: A 95 TYR OH : rot 165:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -129:sc= 0.0499 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 41:sc= 1.18 USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ -176:sc= -1.27 (180deg=-1.4!) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -0.0013 K(o=-0.0013,f=-0.76) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 LYS NZ :NH3+ -137:sc= -0.273 (180deg=-1.7) USER MOD Single : A 51 THR OG1 : rot 18:sc= 0.444 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 45:sc= 0.578 USER MOD Single : A 57 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0246) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=-0.033) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 THR OG1 : rot -130:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.151 K(o=-0.15,f=-1.6!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 10:sc= 0.465 USER MOD Single : A 91 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= -2.62! C(o=-2.6!,f=-7.5!) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ -151:sc= -0.249 (180deg=-1.06!) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 TYR OH : rot -15:sc= -0.957 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 SER OG : rot 42:sc= 0.426 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.936 13.116 9.875 1.00 0.00 N ATOM 2 CA GLY A 1 -9.639 14.293 10.350 1.00 0.00 C ATOM 3 C GLY A 1 -10.265 15.088 9.222 1.00 0.00 C ATOM 4 O GLY A 1 -10.551 14.546 8.154 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.255 12.282 10.408 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.135 12.977 8.864 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.913 13.244 10.012 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.416 13.990 11.052 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.945 14.930 10.898 1.00 0.00 H new ATOM 8 N SER A 2 -10.482 16.379 9.458 1.00 0.00 N ATOM 9 CA SER A 2 -11.083 17.249 8.455 1.00 0.00 C ATOM 10 C SER A 2 -10.258 18.519 8.273 1.00 0.00 C ATOM 11 O SER A 2 -9.796 18.820 7.172 1.00 0.00 O ATOM 12 CB SER A 2 -12.515 17.611 8.856 1.00 0.00 C ATOM 13 OG SER A 2 -13.101 18.492 7.913 1.00 0.00 O ATOM 0 H SER A 2 -10.250 16.845 10.335 1.00 0.00 H new ATOM 0 HA SER A 2 -11.103 16.711 7.507 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.115 16.704 8.933 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.513 18.077 9.842 1.00 0.00 H new ATOM 0 HG SER A 2 -14.016 18.707 8.191 1.00 0.00 H new ATOM 19 N SER A 3 -10.076 19.261 9.361 1.00 0.00 N ATOM 20 CA SER A 3 -9.310 20.501 9.321 1.00 0.00 C ATOM 21 C SER A 3 -7.882 20.273 9.808 1.00 0.00 C ATOM 22 O SER A 3 -7.627 19.391 10.627 1.00 0.00 O ATOM 23 CB SER A 3 -9.988 21.572 10.179 1.00 0.00 C ATOM 24 OG SER A 3 -9.620 22.873 9.754 1.00 0.00 O ATOM 0 H SER A 3 -10.449 19.025 10.281 1.00 0.00 H new ATOM 0 HA SER A 3 -9.273 20.843 8.287 1.00 0.00 H new ATOM 0 HB2 SER A 3 -11.070 21.459 10.119 1.00 0.00 H new ATOM 0 HB3 SER A 3 -9.710 21.435 11.224 1.00 0.00 H new ATOM 0 HG SER A 3 -10.067 23.540 10.316 1.00 0.00 H new ATOM 30 N GLY A 4 -6.954 21.075 9.295 1.00 0.00 N ATOM 31 CA GLY A 4 -5.563 20.946 9.688 1.00 0.00 C ATOM 32 C GLY A 4 -4.679 21.997 9.047 1.00 0.00 C ATOM 33 O GLY A 4 -4.820 22.298 7.862 1.00 0.00 O ATOM 0 H GLY A 4 -7.141 21.812 8.614 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -5.486 21.024 10.773 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -5.202 19.955 9.413 1.00 0.00 H new ATOM 37 N SER A 5 -3.765 22.559 9.832 1.00 0.00 N ATOM 38 CA SER A 5 -2.859 23.587 9.335 1.00 0.00 C ATOM 39 C SER A 5 -1.592 22.962 8.759 1.00 0.00 C ATOM 40 O SER A 5 -1.206 23.246 7.625 1.00 0.00 O ATOM 41 CB SER A 5 -2.495 24.562 10.457 1.00 0.00 C ATOM 42 OG SER A 5 -1.885 25.731 9.939 1.00 0.00 O ATOM 0 H SER A 5 -3.633 22.319 10.815 1.00 0.00 H new ATOM 0 HA SER A 5 -3.369 24.132 8.540 1.00 0.00 H new ATOM 0 HB2 SER A 5 -3.392 24.832 11.013 1.00 0.00 H new ATOM 0 HB3 SER A 5 -1.818 24.076 11.160 1.00 0.00 H new ATOM 0 HG SER A 5 -1.664 26.338 10.676 1.00 0.00 H new ATOM 48 N SER A 6 -0.948 22.109 9.550 1.00 0.00 N ATOM 49 CA SER A 6 0.278 21.446 9.121 1.00 0.00 C ATOM 50 C SER A 6 1.343 22.468 8.738 1.00 0.00 C ATOM 51 O SER A 6 2.049 22.303 7.744 1.00 0.00 O ATOM 52 CB SER A 6 -0.006 20.520 7.937 1.00 0.00 C ATOM 53 OG SER A 6 -0.671 19.342 8.358 1.00 0.00 O ATOM 0 H SER A 6 -1.255 21.861 10.491 1.00 0.00 H new ATOM 0 HA SER A 6 0.652 20.853 9.955 1.00 0.00 H new ATOM 0 HB2 SER A 6 -0.617 21.043 7.201 1.00 0.00 H new ATOM 0 HB3 SER A 6 0.930 20.257 7.445 1.00 0.00 H new ATOM 0 HG SER A 6 -0.842 18.768 7.582 1.00 0.00 H new ATOM 59 N GLY A 7 1.454 23.526 9.536 1.00 0.00 N ATOM 60 CA GLY A 7 2.435 24.561 9.265 1.00 0.00 C ATOM 61 C GLY A 7 2.112 25.352 8.013 1.00 0.00 C ATOM 62 O GLY A 7 2.856 25.308 7.035 1.00 0.00 O ATOM 0 H GLY A 7 0.882 23.685 10.365 1.00 0.00 H new ATOM 0 HA2 GLY A 7 2.487 25.240 10.116 1.00 0.00 H new ATOM 0 HA3 GLY A 7 3.420 24.105 9.159 1.00 0.00 H new ATOM 66 N GLU A 8 0.998 26.077 8.044 1.00 0.00 N ATOM 67 CA GLU A 8 0.577 26.879 6.901 1.00 0.00 C ATOM 68 C GLU A 8 1.740 27.705 6.359 1.00 0.00 C ATOM 69 O GLU A 8 2.025 27.687 5.161 1.00 0.00 O ATOM 70 CB GLU A 8 -0.578 27.802 7.296 1.00 0.00 C ATOM 71 CG GLU A 8 -0.253 28.719 8.463 1.00 0.00 C ATOM 72 CD GLU A 8 -1.463 29.492 8.951 1.00 0.00 C ATOM 73 OE1 GLU A 8 -2.293 28.900 9.672 1.00 0.00 O ATOM 74 OE2 GLU A 8 -1.579 30.689 8.613 1.00 0.00 O ATOM 0 H GLU A 8 0.371 26.125 8.847 1.00 0.00 H new ATOM 0 HA GLU A 8 0.239 26.201 6.118 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -0.858 28.409 6.435 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -1.446 27.195 7.553 1.00 0.00 H new ATOM 0 HG2 GLU A 8 0.151 28.127 9.284 1.00 0.00 H new ATOM 0 HG3 GLU A 8 0.525 29.421 8.163 1.00 0.00 H new ATOM 81 N THR A 9 2.410 28.430 7.250 1.00 0.00 N ATOM 82 CA THR A 9 3.541 29.264 6.863 1.00 0.00 C ATOM 83 C THR A 9 4.808 28.432 6.701 1.00 0.00 C ATOM 84 O THR A 9 5.419 28.017 7.685 1.00 0.00 O ATOM 85 CB THR A 9 3.799 30.376 7.896 1.00 0.00 C ATOM 86 OG1 THR A 9 4.292 29.808 9.115 1.00 0.00 O ATOM 87 CG2 THR A 9 2.526 31.162 8.176 1.00 0.00 C ATOM 0 H THR A 9 2.188 28.456 8.245 1.00 0.00 H new ATOM 0 HA THR A 9 3.284 29.720 5.907 1.00 0.00 H new ATOM 0 HB THR A 9 4.544 31.057 7.485 1.00 0.00 H new ATOM 0 HG1 THR A 9 4.939 29.102 8.909 1.00 0.00 H new ATOM 0 HG21 THR A 9 2.734 31.942 8.909 1.00 0.00 H new ATOM 0 HG22 THR A 9 2.169 31.618 7.252 1.00 0.00 H new ATOM 0 HG23 THR A 9 1.762 30.490 8.568 1.00 0.00 H new ATOM 95 N GLY A 10 5.198 28.192 5.453 1.00 0.00 N ATOM 96 CA GLY A 10 6.391 27.411 5.185 1.00 0.00 C ATOM 97 C GLY A 10 7.218 27.984 4.052 1.00 0.00 C ATOM 98 O GLY A 10 8.011 28.903 4.256 1.00 0.00 O ATOM 0 H GLY A 10 4.709 28.525 4.622 1.00 0.00 H new ATOM 0 HA2 GLY A 10 7.001 27.364 6.087 1.00 0.00 H new ATOM 0 HA3 GLY A 10 6.104 26.388 4.940 1.00 0.00 H new ATOM 102 N GLY A 11 7.034 27.440 2.853 1.00 0.00 N ATOM 103 CA GLY A 11 7.778 27.915 1.701 1.00 0.00 C ATOM 104 C GLY A 11 7.598 27.024 0.488 1.00 0.00 C ATOM 105 O GLY A 11 6.601 27.129 -0.225 1.00 0.00 O ATOM 0 H GLY A 11 6.383 26.679 2.659 1.00 0.00 H new ATOM 0 HA2 GLY A 11 7.455 28.927 1.456 1.00 0.00 H new ATOM 0 HA3 GLY A 11 8.837 27.970 1.954 1.00 0.00 H new ATOM 109 N GLU A 12 8.569 26.146 0.252 1.00 0.00 N ATOM 110 CA GLU A 12 8.514 25.236 -0.886 1.00 0.00 C ATOM 111 C GLU A 12 7.219 24.428 -0.874 1.00 0.00 C ATOM 112 O GLU A 12 6.461 24.465 0.095 1.00 0.00 O ATOM 113 CB GLU A 12 9.717 24.291 -0.870 1.00 0.00 C ATOM 114 CG GLU A 12 11.022 24.960 -1.267 1.00 0.00 C ATOM 115 CD GLU A 12 12.239 24.232 -0.729 1.00 0.00 C ATOM 116 OE1 GLU A 12 12.513 23.109 -1.200 1.00 0.00 O ATOM 117 OE2 GLU A 12 12.916 24.785 0.163 1.00 0.00 O ATOM 0 H GLU A 12 9.401 26.046 0.833 1.00 0.00 H new ATOM 0 HA GLU A 12 8.542 25.833 -1.798 1.00 0.00 H new ATOM 0 HB2 GLU A 12 9.824 23.870 0.130 1.00 0.00 H new ATOM 0 HB3 GLU A 12 9.524 23.459 -1.548 1.00 0.00 H new ATOM 0 HG2 GLU A 12 11.084 25.010 -2.354 1.00 0.00 H new ATOM 0 HG3 GLU A 12 11.026 25.986 -0.900 1.00 0.00 H new ATOM 124 N ARG A 13 6.973 23.699 -1.958 1.00 0.00 N ATOM 125 CA ARG A 13 5.770 22.884 -2.074 1.00 0.00 C ATOM 126 C ARG A 13 5.465 22.174 -0.758 1.00 0.00 C ATOM 127 O ARG A 13 6.328 22.065 0.113 1.00 0.00 O ATOM 128 CB ARG A 13 5.931 21.856 -3.195 1.00 0.00 C ATOM 129 CG ARG A 13 7.103 20.910 -2.990 1.00 0.00 C ATOM 130 CD ARG A 13 7.650 20.405 -4.317 1.00 0.00 C ATOM 131 NE ARG A 13 8.534 21.379 -4.951 1.00 0.00 N ATOM 132 CZ ARG A 13 9.384 21.074 -5.925 1.00 0.00 C ATOM 133 NH1 ARG A 13 9.464 19.829 -6.375 1.00 0.00 N ATOM 134 NH2 ARG A 13 10.157 22.016 -6.452 1.00 0.00 N ATOM 0 H ARG A 13 7.591 23.656 -2.768 1.00 0.00 H new ATOM 0 HA ARG A 13 4.936 23.544 -2.313 1.00 0.00 H new ATOM 0 HB2 ARG A 13 5.014 21.273 -3.276 1.00 0.00 H new ATOM 0 HB3 ARG A 13 6.060 22.381 -4.142 1.00 0.00 H new ATOM 0 HG2 ARG A 13 7.893 21.422 -2.440 1.00 0.00 H new ATOM 0 HG3 ARG A 13 6.787 20.064 -2.380 1.00 0.00 H new ATOM 0 HD2 ARG A 13 8.193 19.474 -4.154 1.00 0.00 H new ATOM 0 HD3 ARG A 13 6.821 20.177 -4.988 1.00 0.00 H new ATOM 0 HE ARG A 13 8.497 22.346 -4.628 1.00 0.00 H new ATOM 0 HH11 ARG A 13 8.872 19.102 -5.973 1.00 0.00 H new ATOM 0 HH12 ARG A 13 10.118 19.598 -7.123 1.00 0.00 H new ATOM 0 HH21 ARG A 13 10.098 22.975 -6.109 1.00 0.00 H new ATOM 0 HH22 ARG A 13 10.809 21.781 -7.200 1.00 0.00 H new ATOM 148 N GLN A 14 4.234 21.694 -0.622 1.00 0.00 N ATOM 149 CA GLN A 14 3.816 20.996 0.588 1.00 0.00 C ATOM 150 C GLN A 14 3.073 19.709 0.245 1.00 0.00 C ATOM 151 O GLN A 14 1.859 19.718 0.032 1.00 0.00 O ATOM 152 CB GLN A 14 2.925 21.901 1.442 1.00 0.00 C ATOM 153 CG GLN A 14 3.635 23.144 1.954 1.00 0.00 C ATOM 154 CD GLN A 14 2.682 24.142 2.582 1.00 0.00 C ATOM 155 OE1 GLN A 14 1.882 24.773 1.891 1.00 0.00 O ATOM 156 NE2 GLN A 14 2.763 24.291 3.899 1.00 0.00 N ATOM 0 H GLN A 14 3.508 21.775 -1.334 1.00 0.00 H new ATOM 0 HA GLN A 14 4.710 20.738 1.155 1.00 0.00 H new ATOM 0 HB2 GLN A 14 2.059 22.204 0.854 1.00 0.00 H new ATOM 0 HB3 GLN A 14 2.550 21.331 2.292 1.00 0.00 H new ATOM 0 HG2 GLN A 14 4.386 22.853 2.688 1.00 0.00 H new ATOM 0 HG3 GLN A 14 4.164 23.622 1.129 1.00 0.00 H new ATOM 0 HE21 GLN A 14 3.441 23.747 4.433 1.00 0.00 H new ATOM 0 HE22 GLN A 14 2.147 24.949 4.377 1.00 0.00 H new ATOM 165 N LEU A 15 3.808 18.604 0.192 1.00 0.00 N ATOM 166 CA LEU A 15 3.219 17.308 -0.126 1.00 0.00 C ATOM 167 C LEU A 15 2.289 16.844 0.991 1.00 0.00 C ATOM 168 O LEU A 15 2.697 16.735 2.147 1.00 0.00 O ATOM 169 CB LEU A 15 4.317 16.268 -0.354 1.00 0.00 C ATOM 170 CG LEU A 15 3.942 14.817 -0.053 1.00 0.00 C ATOM 171 CD1 LEU A 15 2.728 14.400 -0.869 1.00 0.00 C ATOM 172 CD2 LEU A 15 5.118 13.893 -0.332 1.00 0.00 C ATOM 0 H LEU A 15 4.813 18.579 0.365 1.00 0.00 H new ATOM 0 HA LEU A 15 2.635 17.417 -1.040 1.00 0.00 H new ATOM 0 HB2 LEU A 15 4.638 16.331 -1.394 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.176 16.535 0.262 1.00 0.00 H new ATOM 0 HG LEU A 15 3.688 14.739 1.004 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.475 13.364 -0.642 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.884 15.043 -0.619 1.00 0.00 H new ATOM 0 HD13 LEU A 15 2.954 14.494 -1.931 1.00 0.00 H new ATOM 0 HD21 LEU A 15 4.833 12.864 -0.112 1.00 0.00 H new ATOM 0 HD22 LEU A 15 5.404 13.974 -1.381 1.00 0.00 H new ATOM 0 HD23 LEU A 15 5.962 14.178 0.297 1.00 0.00 H new ATOM 184 N SER A 16 1.037 16.570 0.636 1.00 0.00 N ATOM 185 CA SER A 16 0.048 16.119 1.608 1.00 0.00 C ATOM 186 C SER A 16 -0.383 14.684 1.319 1.00 0.00 C ATOM 187 O SER A 16 -0.825 14.352 0.220 1.00 0.00 O ATOM 188 CB SER A 16 -1.171 17.043 1.593 1.00 0.00 C ATOM 189 OG SER A 16 -2.207 16.534 2.415 1.00 0.00 O ATOM 0 H SER A 16 0.684 16.653 -0.317 1.00 0.00 H new ATOM 0 HA SER A 16 0.506 16.150 2.597 1.00 0.00 H new ATOM 0 HB2 SER A 16 -0.883 18.036 1.939 1.00 0.00 H new ATOM 0 HB3 SER A 16 -1.534 17.154 0.571 1.00 0.00 H new ATOM 0 HG SER A 16 -2.974 17.143 2.390 1.00 0.00 H new ATOM 195 N PRO A 17 -0.251 13.813 2.330 1.00 0.00 N ATOM 196 CA PRO A 17 -0.621 12.400 2.210 1.00 0.00 C ATOM 197 C PRO A 17 -2.130 12.202 2.108 1.00 0.00 C ATOM 198 O PRO A 17 -2.598 11.211 1.550 1.00 0.00 O ATOM 199 CB PRO A 17 -0.088 11.782 3.505 1.00 0.00 C ATOM 200 CG PRO A 17 -0.048 12.912 4.475 1.00 0.00 C ATOM 201 CD PRO A 17 0.270 14.140 3.668 1.00 0.00 C ATOM 0 HA PRO A 17 -0.213 11.948 1.306 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -0.737 10.980 3.858 1.00 0.00 H new ATOM 0 HB3 PRO A 17 0.902 11.350 3.359 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -1.003 13.019 4.989 1.00 0.00 H new ATOM 0 HG3 PRO A 17 0.708 12.742 5.241 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -0.210 15.027 4.080 1.00 0.00 H new ATOM 0 HD3 PRO A 17 1.341 14.339 3.644 1.00 0.00 H new ATOM 209 N GLU A 18 -2.884 13.153 2.649 1.00 0.00 N ATOM 210 CA GLU A 18 -4.340 13.082 2.618 1.00 0.00 C ATOM 211 C GLU A 18 -4.874 13.453 1.237 1.00 0.00 C ATOM 212 O GLU A 18 -5.920 12.963 0.811 1.00 0.00 O ATOM 213 CB GLU A 18 -4.941 14.011 3.675 1.00 0.00 C ATOM 214 CG GLU A 18 -6.215 14.705 3.223 1.00 0.00 C ATOM 215 CD GLU A 18 -7.368 13.739 3.027 1.00 0.00 C ATOM 216 OE1 GLU A 18 -7.130 12.514 3.084 1.00 0.00 O ATOM 217 OE2 GLU A 18 -8.506 14.208 2.817 1.00 0.00 O ATOM 0 H GLU A 18 -2.511 13.981 3.114 1.00 0.00 H new ATOM 0 HA GLU A 18 -4.632 12.055 2.838 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -5.152 13.434 4.576 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -4.202 14.766 3.945 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -6.497 15.456 3.961 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -6.025 15.232 2.288 1.00 0.00 H new ATOM 224 N LYS A 19 -4.148 14.323 0.543 1.00 0.00 N ATOM 225 CA LYS A 19 -4.546 14.761 -0.790 1.00 0.00 C ATOM 226 C LYS A 19 -4.199 13.705 -1.835 1.00 0.00 C ATOM 227 O LYS A 19 -4.983 13.440 -2.746 1.00 0.00 O ATOM 228 CB LYS A 19 -3.861 16.084 -1.139 1.00 0.00 C ATOM 229 CG LYS A 19 -4.615 17.307 -0.648 1.00 0.00 C ATOM 230 CD LYS A 19 -5.575 17.831 -1.702 1.00 0.00 C ATOM 231 CE LYS A 19 -6.570 16.763 -2.130 1.00 0.00 C ATOM 232 NZ LYS A 19 -7.470 16.364 -1.013 1.00 0.00 N ATOM 0 H LYS A 19 -3.280 14.739 0.882 1.00 0.00 H new ATOM 0 HA LYS A 19 -5.626 14.907 -0.791 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -2.859 16.089 -0.710 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -3.745 16.149 -2.221 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -5.169 17.055 0.257 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -3.905 18.090 -0.380 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -6.113 18.694 -1.309 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -5.012 18.174 -2.570 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -7.167 17.136 -2.962 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -6.030 15.888 -2.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -8.087 15.588 -1.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -6.899 16.048 -0.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -8.053 17.177 -0.729 1.00 0.00 H new ATOM 246 N SER A 20 -3.022 13.104 -1.695 1.00 0.00 N ATOM 247 CA SER A 20 -2.571 12.079 -2.629 1.00 0.00 C ATOM 248 C SER A 20 -3.720 11.152 -3.014 1.00 0.00 C ATOM 249 O SER A 20 -4.594 10.858 -2.198 1.00 0.00 O ATOM 250 CB SER A 20 -1.429 11.267 -2.015 1.00 0.00 C ATOM 251 OG SER A 20 -0.376 12.112 -1.585 1.00 0.00 O ATOM 0 H SER A 20 -2.363 13.309 -0.944 1.00 0.00 H new ATOM 0 HA SER A 20 -2.211 12.576 -3.530 1.00 0.00 H new ATOM 0 HB2 SER A 20 -1.803 10.688 -1.170 1.00 0.00 H new ATOM 0 HB3 SER A 20 -1.051 10.554 -2.747 1.00 0.00 H new ATOM 0 HG SER A 20 0.341 11.569 -1.195 1.00 0.00 H new ATOM 257 N GLU A 21 -3.711 10.695 -4.262 1.00 0.00 N ATOM 258 CA GLU A 21 -4.753 9.802 -4.755 1.00 0.00 C ATOM 259 C GLU A 21 -4.171 8.442 -5.131 1.00 0.00 C ATOM 260 O GLU A 21 -3.305 8.345 -6.001 1.00 0.00 O ATOM 261 CB GLU A 21 -5.454 10.420 -5.966 1.00 0.00 C ATOM 262 CG GLU A 21 -5.981 11.823 -5.713 1.00 0.00 C ATOM 263 CD GLU A 21 -6.837 12.339 -6.854 1.00 0.00 C ATOM 264 OE1 GLU A 21 -8.059 12.082 -6.843 1.00 0.00 O ATOM 265 OE2 GLU A 21 -6.285 13.001 -7.757 1.00 0.00 O ATOM 0 H GLU A 21 -2.995 10.928 -4.950 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.481 9.659 -3.956 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -4.757 10.448 -6.804 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -6.283 9.777 -6.263 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -6.567 11.827 -4.794 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -5.141 12.500 -5.559 1.00 0.00 H new ATOM 272 N ILE A 22 -4.652 7.396 -4.469 1.00 0.00 N ATOM 273 CA ILE A 22 -4.181 6.042 -4.733 1.00 0.00 C ATOM 274 C ILE A 22 -5.185 5.265 -5.577 1.00 0.00 C ATOM 275 O ILE A 22 -6.162 4.725 -5.056 1.00 0.00 O ATOM 276 CB ILE A 22 -3.921 5.271 -3.425 1.00 0.00 C ATOM 277 CG1 ILE A 22 -2.892 6.011 -2.568 1.00 0.00 C ATOM 278 CG2 ILE A 22 -3.447 3.858 -3.729 1.00 0.00 C ATOM 279 CD1 ILE A 22 -2.680 5.387 -1.206 1.00 0.00 C ATOM 0 H ILE A 22 -5.368 7.460 -3.745 1.00 0.00 H new ATOM 0 HA ILE A 22 -3.244 6.136 -5.282 1.00 0.00 H new ATOM 0 HB ILE A 22 -4.854 5.208 -2.865 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -1.940 6.037 -3.099 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -3.214 7.044 -2.439 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -3.267 3.326 -2.795 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -4.210 3.334 -4.304 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -2.523 3.900 -4.306 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -1.938 5.963 -0.653 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -3.621 5.385 -0.656 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -2.328 4.362 -1.326 1.00 0.00 H new ATOM 291 N TRP A 23 -4.938 5.211 -6.880 1.00 0.00 N ATOM 292 CA TRP A 23 -5.821 4.498 -7.797 1.00 0.00 C ATOM 293 C TRP A 23 -5.240 3.137 -8.163 1.00 0.00 C ATOM 294 O TRP A 23 -4.065 2.866 -7.916 1.00 0.00 O ATOM 295 CB TRP A 23 -6.052 5.325 -9.062 1.00 0.00 C ATOM 296 CG TRP A 23 -4.826 5.464 -9.914 1.00 0.00 C ATOM 297 CD1 TRP A 23 -4.396 4.598 -10.878 1.00 0.00 C ATOM 298 CD2 TRP A 23 -3.873 6.531 -9.876 1.00 0.00 C ATOM 299 NE1 TRP A 23 -3.232 5.062 -11.441 1.00 0.00 N ATOM 300 CE2 TRP A 23 -2.891 6.247 -10.845 1.00 0.00 C ATOM 301 CE3 TRP A 23 -3.754 7.700 -9.119 1.00 0.00 C ATOM 302 CZ2 TRP A 23 -1.806 7.089 -11.074 1.00 0.00 C ATOM 303 CZ3 TRP A 23 -2.677 8.535 -9.348 1.00 0.00 C ATOM 304 CH2 TRP A 23 -1.715 8.227 -10.319 1.00 0.00 C ATOM 0 H TRP A 23 -4.134 5.652 -7.326 1.00 0.00 H new ATOM 0 HA TRP A 23 -6.776 4.342 -7.295 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -6.844 4.862 -9.651 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -6.404 6.317 -8.779 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -4.897 3.683 -11.157 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -2.707 4.599 -12.183 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -4.491 7.946 -8.369 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -1.063 6.853 -11.821 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -2.575 9.441 -8.769 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -0.885 8.901 -10.475 1.00 0.00 H new ATOM 315 N GLY A 24 -6.070 2.283 -8.755 1.00 0.00 N ATOM 316 CA GLY A 24 -5.619 0.960 -9.146 1.00 0.00 C ATOM 317 C GLY A 24 -6.653 -0.112 -8.862 1.00 0.00 C ATOM 318 O GLY A 24 -7.395 -0.045 -7.882 1.00 0.00 O ATOM 0 H GLY A 24 -7.046 2.484 -8.971 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -5.383 0.960 -10.210 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -4.698 0.722 -8.615 1.00 0.00 H new ATOM 322 N PRO A 25 -6.712 -1.128 -9.735 1.00 0.00 N ATOM 323 CA PRO A 25 -7.659 -2.238 -9.596 1.00 0.00 C ATOM 324 C PRO A 25 -7.323 -3.142 -8.415 1.00 0.00 C ATOM 325 O PRO A 25 -8.165 -3.906 -7.946 1.00 0.00 O ATOM 326 CB PRO A 25 -7.509 -3.001 -10.914 1.00 0.00 C ATOM 327 CG PRO A 25 -6.132 -2.678 -11.383 1.00 0.00 C ATOM 328 CD PRO A 25 -5.857 -1.272 -10.926 1.00 0.00 C ATOM 0 HA PRO A 25 -8.673 -1.887 -9.405 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -7.636 -4.074 -10.767 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -8.259 -2.688 -11.641 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -5.404 -3.373 -10.965 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -6.061 -2.756 -12.468 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -4.804 -1.126 -10.685 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -6.112 -0.542 -11.695 1.00 0.00 H new ATOM 336 N GLY A 26 -6.084 -3.051 -7.939 1.00 0.00 N ATOM 337 CA GLY A 26 -5.659 -3.867 -6.817 1.00 0.00 C ATOM 338 C GLY A 26 -6.706 -3.941 -5.724 1.00 0.00 C ATOM 339 O GLY A 26 -6.831 -4.959 -5.042 1.00 0.00 O ATOM 0 H GLY A 26 -5.368 -2.427 -8.311 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -5.434 -4.874 -7.169 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -4.736 -3.460 -6.405 1.00 0.00 H new ATOM 343 N LEU A 27 -7.460 -2.860 -5.555 1.00 0.00 N ATOM 344 CA LEU A 27 -8.501 -2.806 -4.535 1.00 0.00 C ATOM 345 C LEU A 27 -9.723 -3.613 -4.961 1.00 0.00 C ATOM 346 O LEU A 27 -10.219 -4.454 -4.210 1.00 0.00 O ATOM 347 CB LEU A 27 -8.903 -1.355 -4.265 1.00 0.00 C ATOM 348 CG LEU A 27 -7.760 -0.389 -3.950 1.00 0.00 C ATOM 349 CD1 LEU A 27 -8.160 1.039 -4.287 1.00 0.00 C ATOM 350 CD2 LEU A 27 -7.355 -0.501 -2.488 1.00 0.00 C ATOM 0 H LEU A 27 -7.370 -2.010 -6.111 1.00 0.00 H new ATOM 0 HA LEU A 27 -8.101 -3.242 -3.620 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -9.440 -0.980 -5.136 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -9.603 -1.342 -3.430 1.00 0.00 H new ATOM 0 HG LEU A 27 -6.902 -0.659 -4.565 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -7.334 1.712 -4.056 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -8.400 1.109 -5.348 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -9.033 1.321 -3.699 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -6.541 0.193 -2.282 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -8.208 -0.258 -1.854 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -7.026 -1.519 -2.279 1.00 0.00 H new ATOM 362 N LYS A 28 -10.204 -3.354 -6.172 1.00 0.00 N ATOM 363 CA LYS A 28 -11.366 -4.058 -6.702 1.00 0.00 C ATOM 364 C LYS A 28 -11.346 -5.527 -6.291 1.00 0.00 C ATOM 365 O LYS A 28 -10.282 -6.131 -6.167 1.00 0.00 O ATOM 366 CB LYS A 28 -11.406 -3.944 -8.227 1.00 0.00 C ATOM 367 CG LYS A 28 -11.788 -2.561 -8.725 1.00 0.00 C ATOM 368 CD LYS A 28 -12.447 -2.623 -10.092 1.00 0.00 C ATOM 369 CE LYS A 28 -11.423 -2.841 -11.195 1.00 0.00 C ATOM 370 NZ LYS A 28 -12.018 -2.664 -12.549 1.00 0.00 N ATOM 0 H LYS A 28 -9.807 -2.661 -6.806 1.00 0.00 H new ATOM 0 HA LYS A 28 -12.261 -3.595 -6.286 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -10.427 -4.208 -8.628 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -12.117 -4.671 -8.619 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -12.468 -2.092 -8.013 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -10.898 -1.933 -8.777 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -13.178 -3.431 -10.108 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -12.991 -1.697 -10.277 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -10.597 -2.141 -11.067 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -11.006 -3.845 -11.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -11.288 -2.821 -13.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -12.789 -3.349 -12.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -12.393 -1.698 -12.640 1.00 0.00 H new ATOM 384 N ALA A 29 -12.530 -6.095 -6.083 1.00 0.00 N ATOM 385 CA ALA A 29 -12.647 -7.493 -5.691 1.00 0.00 C ATOM 386 C ALA A 29 -12.226 -8.420 -6.826 1.00 0.00 C ATOM 387 O ALA A 29 -11.545 -9.421 -6.603 1.00 0.00 O ATOM 388 CB ALA A 29 -14.073 -7.802 -5.257 1.00 0.00 C ATOM 0 H ALA A 29 -13.421 -5.608 -6.180 1.00 0.00 H new ATOM 0 HA ALA A 29 -11.976 -7.665 -4.849 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -14.146 -8.850 -4.967 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -14.340 -7.171 -4.409 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -14.756 -7.606 -6.084 1.00 0.00 H new ATOM 394 N ASP A 30 -12.635 -8.080 -8.043 1.00 0.00 N ATOM 395 CA ASP A 30 -12.299 -8.882 -9.214 1.00 0.00 C ATOM 396 C ASP A 30 -10.898 -8.549 -9.717 1.00 0.00 C ATOM 397 O ASP A 30 -10.733 -7.790 -10.672 1.00 0.00 O ATOM 398 CB ASP A 30 -13.322 -8.650 -10.328 1.00 0.00 C ATOM 399 CG ASP A 30 -13.791 -7.209 -10.393 1.00 0.00 C ATOM 400 OD1 ASP A 30 -12.956 -6.326 -10.679 1.00 0.00 O ATOM 401 OD2 ASP A 30 -14.993 -6.966 -10.158 1.00 0.00 O ATOM 0 H ASP A 30 -13.200 -7.255 -8.245 1.00 0.00 H new ATOM 0 HA ASP A 30 -12.321 -9.932 -8.923 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -12.882 -8.929 -11.285 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -14.181 -9.302 -10.170 1.00 0.00 H new ATOM 406 N VAL A 31 -9.890 -9.122 -9.066 1.00 0.00 N ATOM 407 CA VAL A 31 -8.502 -8.887 -9.447 1.00 0.00 C ATOM 408 C VAL A 31 -7.991 -9.988 -10.368 1.00 0.00 C ATOM 409 O VAL A 31 -8.653 -11.008 -10.562 1.00 0.00 O ATOM 410 CB VAL A 31 -7.588 -8.802 -8.210 1.00 0.00 C ATOM 411 CG1 VAL A 31 -7.962 -7.604 -7.350 1.00 0.00 C ATOM 412 CG2 VAL A 31 -7.661 -10.090 -7.405 1.00 0.00 C ATOM 0 H VAL A 31 -10.009 -9.752 -8.273 1.00 0.00 H new ATOM 0 HA VAL A 31 -8.476 -7.934 -9.976 1.00 0.00 H new ATOM 0 HB VAL A 31 -6.560 -8.669 -8.548 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -7.305 -7.561 -6.481 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -7.853 -6.689 -7.933 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -8.996 -7.702 -7.019 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -7.009 -10.013 -6.535 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -8.687 -10.256 -7.076 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -7.339 -10.926 -8.026 1.00 0.00 H new ATOM 422 N VAL A 32 -6.808 -9.775 -10.936 1.00 0.00 N ATOM 423 CA VAL A 32 -6.206 -10.751 -11.837 1.00 0.00 C ATOM 424 C VAL A 32 -6.062 -12.109 -11.159 1.00 0.00 C ATOM 425 O VAL A 32 -6.217 -12.228 -9.943 1.00 0.00 O ATOM 426 CB VAL A 32 -4.822 -10.284 -12.325 1.00 0.00 C ATOM 427 CG1 VAL A 32 -4.927 -8.934 -13.017 1.00 0.00 C ATOM 428 CG2 VAL A 32 -3.840 -10.223 -11.165 1.00 0.00 C ATOM 0 H VAL A 32 -6.248 -8.936 -10.788 1.00 0.00 H new ATOM 0 HA VAL A 32 -6.873 -10.845 -12.694 1.00 0.00 H new ATOM 0 HB VAL A 32 -4.449 -11.008 -13.049 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -3.939 -8.621 -13.355 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -5.595 -9.016 -13.875 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -5.322 -8.197 -12.318 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -2.867 -9.891 -11.529 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -4.206 -9.521 -10.415 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -3.742 -11.213 -10.719 1.00 0.00 H new ATOM 438 N LEU A 33 -5.765 -13.131 -11.954 1.00 0.00 N ATOM 439 CA LEU A 33 -5.599 -14.483 -11.431 1.00 0.00 C ATOM 440 C LEU A 33 -4.598 -14.504 -10.280 1.00 0.00 C ATOM 441 O LEU A 33 -4.916 -14.890 -9.155 1.00 0.00 O ATOM 442 CB LEU A 33 -5.135 -15.427 -12.542 1.00 0.00 C ATOM 443 CG LEU A 33 -6.237 -16.191 -13.278 1.00 0.00 C ATOM 444 CD1 LEU A 33 -5.697 -16.802 -14.562 1.00 0.00 C ATOM 445 CD2 LEU A 33 -6.829 -17.268 -12.380 1.00 0.00 C ATOM 0 H LEU A 33 -5.634 -13.050 -12.962 1.00 0.00 H new ATOM 0 HA LEU A 33 -6.564 -14.821 -11.054 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.573 -14.846 -13.273 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.444 -16.151 -12.111 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.028 -15.488 -13.540 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -6.495 -17.342 -15.072 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.321 -16.011 -15.211 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.887 -17.492 -14.324 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -7.611 -17.802 -12.919 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.047 -17.969 -12.088 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -7.253 -16.806 -11.489 1.00 0.00 H new ATOM 457 N PRO A 34 -3.359 -14.076 -10.566 1.00 0.00 N ATOM 458 CA PRO A 34 -2.287 -14.033 -9.567 1.00 0.00 C ATOM 459 C PRO A 34 -2.521 -12.957 -8.512 1.00 0.00 C ATOM 460 O PRO A 34 -3.157 -13.206 -7.488 1.00 0.00 O ATOM 461 CB PRO A 34 -1.043 -13.707 -10.396 1.00 0.00 C ATOM 462 CG PRO A 34 -1.563 -12.997 -11.597 1.00 0.00 C ATOM 463 CD PRO A 34 -2.910 -13.602 -11.885 1.00 0.00 C ATOM 0 HA PRO A 34 -2.212 -14.966 -9.009 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -0.347 -13.081 -9.837 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -0.504 -14.613 -10.674 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -1.648 -11.926 -11.411 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -0.890 -13.121 -12.445 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -3.599 -12.869 -12.304 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -2.839 -14.419 -12.603 1.00 0.00 H new ATOM 471 N ALA A 35 -2.004 -11.760 -8.768 1.00 0.00 N ATOM 472 CA ALA A 35 -2.159 -10.646 -7.842 1.00 0.00 C ATOM 473 C ALA A 35 -2.128 -9.311 -8.578 1.00 0.00 C ATOM 474 O ALA A 35 -1.278 -9.086 -9.440 1.00 0.00 O ATOM 475 CB ALA A 35 -1.072 -10.689 -6.778 1.00 0.00 C ATOM 0 H ALA A 35 -1.474 -11.537 -9.610 1.00 0.00 H new ATOM 0 HA ALA A 35 -3.131 -10.741 -7.358 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -1.200 -9.851 -6.093 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.142 -11.625 -6.224 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.094 -10.622 -7.254 1.00 0.00 H new ATOM 481 N ARG A 36 -3.061 -8.429 -8.234 1.00 0.00 N ATOM 482 CA ARG A 36 -3.142 -7.117 -8.865 1.00 0.00 C ATOM 483 C ARG A 36 -2.597 -6.034 -7.938 1.00 0.00 C ATOM 484 O ARG A 36 -3.017 -5.920 -6.786 1.00 0.00 O ATOM 485 CB ARG A 36 -4.589 -6.798 -9.244 1.00 0.00 C ATOM 486 CG ARG A 36 -4.738 -5.526 -10.062 1.00 0.00 C ATOM 487 CD ARG A 36 -4.619 -5.805 -11.552 1.00 0.00 C ATOM 488 NE ARG A 36 -4.082 -4.660 -12.282 1.00 0.00 N ATOM 489 CZ ARG A 36 -4.234 -4.485 -13.590 1.00 0.00 C ATOM 490 NH1 ARG A 36 -4.903 -5.376 -14.308 1.00 0.00 N ATOM 491 NH2 ARG A 36 -3.716 -3.417 -14.183 1.00 0.00 N ATOM 0 H ARG A 36 -3.771 -8.599 -7.522 1.00 0.00 H new ATOM 0 HA ARG A 36 -2.533 -7.138 -9.769 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -5.000 -7.634 -9.810 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -5.182 -6.706 -8.334 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -5.705 -5.069 -9.852 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -3.974 -4.808 -9.763 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -3.974 -6.670 -11.709 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -5.600 -6.062 -11.952 1.00 0.00 H new ATOM 0 HE ARG A 36 -3.562 -3.956 -11.759 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -5.303 -6.199 -13.856 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -5.018 -5.239 -15.312 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -3.200 -2.729 -13.634 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -3.834 -3.284 -15.187 1.00 0.00 H new ATOM 505 N TYR A 37 -1.661 -5.242 -8.448 1.00 0.00 N ATOM 506 CA TYR A 37 -1.057 -4.171 -7.666 1.00 0.00 C ATOM 507 C TYR A 37 -1.677 -2.822 -8.019 1.00 0.00 C ATOM 508 O TYR A 37 -2.614 -2.745 -8.813 1.00 0.00 O ATOM 509 CB TYR A 37 0.454 -4.128 -7.902 1.00 0.00 C ATOM 510 CG TYR A 37 0.840 -4.165 -9.363 1.00 0.00 C ATOM 511 CD1 TYR A 37 0.869 -3.002 -10.124 1.00 0.00 C ATOM 512 CD2 TYR A 37 1.174 -5.362 -9.984 1.00 0.00 C ATOM 513 CE1 TYR A 37 1.220 -3.031 -11.460 1.00 0.00 C ATOM 514 CE2 TYR A 37 1.527 -5.400 -11.319 1.00 0.00 C ATOM 515 CZ TYR A 37 1.549 -4.232 -12.053 1.00 0.00 C ATOM 516 OH TYR A 37 1.899 -4.266 -13.383 1.00 0.00 O ATOM 0 H TYR A 37 -1.304 -5.322 -9.400 1.00 0.00 H new ATOM 0 HA TYR A 37 -1.248 -4.373 -6.612 1.00 0.00 H new ATOM 0 HB2 TYR A 37 0.858 -3.222 -7.451 1.00 0.00 H new ATOM 0 HB3 TYR A 37 0.917 -4.972 -7.391 1.00 0.00 H new ATOM 0 HD1 TYR A 37 0.613 -2.060 -9.663 1.00 0.00 H new ATOM 0 HD2 TYR A 37 1.157 -6.279 -9.413 1.00 0.00 H new ATOM 0 HE1 TYR A 37 1.237 -2.118 -12.037 1.00 0.00 H new ATOM 0 HE2 TYR A 37 1.784 -6.339 -11.786 1.00 0.00 H new ATOM 0 HH TYR A 37 2.102 -5.188 -13.644 1.00 0.00 H new ATOM 526 N PHE A 38 -1.145 -1.760 -7.422 1.00 0.00 N ATOM 527 CA PHE A 38 -1.645 -0.413 -7.672 1.00 0.00 C ATOM 528 C PHE A 38 -0.495 0.586 -7.760 1.00 0.00 C ATOM 529 O PHE A 38 0.675 0.211 -7.689 1.00 0.00 O ATOM 530 CB PHE A 38 -2.618 0.006 -6.568 1.00 0.00 C ATOM 531 CG PHE A 38 -2.018 -0.042 -5.192 1.00 0.00 C ATOM 532 CD1 PHE A 38 -1.655 -1.251 -4.621 1.00 0.00 C ATOM 533 CD2 PHE A 38 -1.818 1.123 -4.468 1.00 0.00 C ATOM 534 CE1 PHE A 38 -1.103 -1.299 -3.355 1.00 0.00 C ATOM 535 CE2 PHE A 38 -1.266 1.082 -3.202 1.00 0.00 C ATOM 536 CZ PHE A 38 -0.909 -0.131 -2.644 1.00 0.00 C ATOM 0 H PHE A 38 -0.368 -1.806 -6.762 1.00 0.00 H new ATOM 0 HA PHE A 38 -2.171 -0.419 -8.626 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -2.968 1.019 -6.768 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -3.492 -0.645 -6.598 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -1.805 -2.167 -5.172 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -2.097 2.074 -4.898 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -0.824 -2.248 -2.922 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -1.114 1.997 -2.649 1.00 0.00 H new ATOM 0 HZ PHE A 38 -0.479 -0.165 -1.654 1.00 0.00 H new ATOM 546 N TYR A 39 -0.838 1.860 -7.914 1.00 0.00 N ATOM 547 CA TYR A 39 0.165 2.915 -8.013 1.00 0.00 C ATOM 548 C TYR A 39 -0.061 3.984 -6.949 1.00 0.00 C ATOM 549 O TYR A 39 -1.124 4.044 -6.330 1.00 0.00 O ATOM 550 CB TYR A 39 0.131 3.549 -9.405 1.00 0.00 C ATOM 551 CG TYR A 39 0.036 2.541 -10.528 1.00 0.00 C ATOM 552 CD1 TYR A 39 -1.181 1.961 -10.865 1.00 0.00 C ATOM 553 CD2 TYR A 39 1.162 2.169 -11.251 1.00 0.00 C ATOM 554 CE1 TYR A 39 -1.273 1.039 -11.890 1.00 0.00 C ATOM 555 CE2 TYR A 39 1.079 1.249 -12.278 1.00 0.00 C ATOM 556 CZ TYR A 39 -0.140 0.687 -12.594 1.00 0.00 C ATOM 557 OH TYR A 39 -0.227 -0.231 -13.616 1.00 0.00 O ATOM 0 H TYR A 39 -1.802 2.188 -7.973 1.00 0.00 H new ATOM 0 HA TYR A 39 1.145 2.467 -7.848 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -0.719 4.228 -9.465 1.00 0.00 H new ATOM 0 HB3 TYR A 39 1.030 4.150 -9.543 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -2.070 2.236 -10.316 1.00 0.00 H new ATOM 0 HD2 TYR A 39 2.119 2.606 -11.006 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -2.226 0.596 -12.139 1.00 0.00 H new ATOM 0 HE2 TYR A 39 1.964 0.971 -12.831 1.00 0.00 H new ATOM 0 HH TYR A 39 0.660 -0.367 -14.010 1.00 0.00 H new ATOM 567 N ILE A 40 0.946 4.826 -6.743 1.00 0.00 N ATOM 568 CA ILE A 40 0.858 5.894 -5.755 1.00 0.00 C ATOM 569 C ILE A 40 1.334 7.221 -6.336 1.00 0.00 C ATOM 570 O ILE A 40 2.435 7.313 -6.877 1.00 0.00 O ATOM 571 CB ILE A 40 1.688 5.569 -4.499 1.00 0.00 C ATOM 572 CG1 ILE A 40 1.149 4.311 -3.816 1.00 0.00 C ATOM 573 CG2 ILE A 40 1.676 6.748 -3.537 1.00 0.00 C ATOM 574 CD1 ILE A 40 2.102 3.719 -2.801 1.00 0.00 C ATOM 0 H ILE A 40 1.832 4.789 -7.247 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.192 5.979 -5.475 1.00 0.00 H new ATOM 0 HB ILE A 40 2.719 5.382 -4.801 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.208 4.551 -3.322 1.00 0.00 H new ATOM 0 HG13 ILE A 40 0.928 3.561 -4.576 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.267 6.503 -2.654 1.00 0.00 H new ATOM 0 HG22 ILE A 40 2.103 7.623 -4.028 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.650 6.964 -3.239 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.654 2.830 -2.357 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.036 3.447 -3.294 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.304 4.452 -2.020 1.00 0.00 H new ATOM 586 N GLN A 41 0.496 8.246 -6.219 1.00 0.00 N ATOM 587 CA GLN A 41 0.832 9.569 -6.733 1.00 0.00 C ATOM 588 C GLN A 41 0.895 10.592 -5.603 1.00 0.00 C ATOM 589 O GLN A 41 0.105 10.538 -4.660 1.00 0.00 O ATOM 590 CB GLN A 41 -0.193 10.009 -7.779 1.00 0.00 C ATOM 591 CG GLN A 41 -0.025 11.452 -8.226 1.00 0.00 C ATOM 592 CD GLN A 41 0.998 11.604 -9.334 1.00 0.00 C ATOM 593 OE1 GLN A 41 0.939 10.910 -10.350 1.00 0.00 O ATOM 594 NE2 GLN A 41 1.945 12.516 -9.145 1.00 0.00 N ATOM 0 H GLN A 41 -0.420 8.186 -5.773 1.00 0.00 H new ATOM 0 HA GLN A 41 1.815 9.510 -7.201 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -0.115 9.357 -8.649 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -1.195 9.878 -7.371 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -0.986 11.837 -8.568 1.00 0.00 H new ATOM 0 HG3 GLN A 41 0.276 12.060 -7.373 1.00 0.00 H new ATOM 0 HE21 GLN A 41 1.956 13.069 -8.288 1.00 0.00 H new ATOM 0 HE22 GLN A 41 2.661 12.663 -9.857 1.00 0.00 H new ATOM 603 N ALA A 42 1.838 11.522 -5.705 1.00 0.00 N ATOM 604 CA ALA A 42 2.003 12.558 -4.693 1.00 0.00 C ATOM 605 C ALA A 42 1.221 13.814 -5.061 1.00 0.00 C ATOM 606 O ALA A 42 1.302 14.299 -6.190 1.00 0.00 O ATOM 607 CB ALA A 42 3.477 12.886 -4.508 1.00 0.00 C ATOM 0 H ALA A 42 2.500 11.579 -6.479 1.00 0.00 H new ATOM 0 HA ALA A 42 1.607 12.178 -3.751 1.00 0.00 H new ATOM 0 HB1 ALA A 42 3.585 13.661 -3.749 1.00 0.00 H new ATOM 0 HB2 ALA A 42 4.012 11.991 -4.191 1.00 0.00 H new ATOM 0 HB3 ALA A 42 3.892 13.241 -5.451 1.00 0.00 H new ATOM 613 N VAL A 43 0.464 14.337 -4.102 1.00 0.00 N ATOM 614 CA VAL A 43 -0.333 15.538 -4.326 1.00 0.00 C ATOM 615 C VAL A 43 -0.063 16.584 -3.251 1.00 0.00 C ATOM 616 O VAL A 43 0.345 16.254 -2.137 1.00 0.00 O ATOM 617 CB VAL A 43 -1.839 15.216 -4.348 1.00 0.00 C ATOM 618 CG1 VAL A 43 -2.652 16.485 -4.554 1.00 0.00 C ATOM 619 CG2 VAL A 43 -2.149 14.192 -5.429 1.00 0.00 C ATOM 0 H VAL A 43 0.386 13.948 -3.162 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.041 15.936 -5.298 1.00 0.00 H new ATOM 0 HB VAL A 43 -2.116 14.788 -3.385 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.714 16.239 -4.567 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -2.451 17.182 -3.740 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -2.375 16.945 -5.503 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -3.217 13.976 -5.430 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.858 14.590 -6.401 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -1.594 13.275 -5.231 1.00 0.00 H new ATOM 629 N ASP A 44 -0.294 17.847 -3.591 1.00 0.00 N ATOM 630 CA ASP A 44 -0.077 18.944 -2.654 1.00 0.00 C ATOM 631 C ASP A 44 -1.274 19.106 -1.722 1.00 0.00 C ATOM 632 O ASP A 44 -2.274 18.398 -1.848 1.00 0.00 O ATOM 633 CB ASP A 44 0.175 20.248 -3.412 1.00 0.00 C ATOM 634 CG ASP A 44 0.839 21.301 -2.547 1.00 0.00 C ATOM 635 OD1 ASP A 44 2.070 21.220 -2.353 1.00 0.00 O ATOM 636 OD2 ASP A 44 0.127 22.206 -2.062 1.00 0.00 O ATOM 0 H ASP A 44 -0.632 18.137 -4.509 1.00 0.00 H new ATOM 0 HA ASP A 44 0.801 18.708 -2.052 1.00 0.00 H new ATOM 0 HB2 ASP A 44 0.803 20.045 -4.279 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -0.772 20.635 -3.788 1.00 0.00 H new ATOM 641 N THR A 45 -1.165 20.042 -0.785 1.00 0.00 N ATOM 642 CA THR A 45 -2.236 20.296 0.170 1.00 0.00 C ATOM 643 C THR A 45 -3.466 20.872 -0.523 1.00 0.00 C ATOM 644 O THR A 45 -4.551 20.921 0.057 1.00 0.00 O ATOM 645 CB THR A 45 -1.783 21.267 1.277 1.00 0.00 C ATOM 646 OG1 THR A 45 -1.745 22.605 0.770 1.00 0.00 O ATOM 647 CG2 THR A 45 -0.411 20.881 1.807 1.00 0.00 C ATOM 0 H THR A 45 -0.345 20.637 -0.667 1.00 0.00 H new ATOM 0 HA THR A 45 -2.492 19.337 0.620 1.00 0.00 H new ATOM 0 HB THR A 45 -2.500 21.210 2.096 1.00 0.00 H new ATOM 0 HG1 THR A 45 -1.458 23.216 1.480 1.00 0.00 H new ATOM 0 HG21 THR A 45 -0.112 21.581 2.587 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.451 19.873 2.219 1.00 0.00 H new ATOM 0 HG23 THR A 45 0.315 20.912 0.994 1.00 0.00 H new ATOM 655 N SER A 46 -3.289 21.306 -1.766 1.00 0.00 N ATOM 656 CA SER A 46 -4.385 21.882 -2.538 1.00 0.00 C ATOM 657 C SER A 46 -4.996 20.842 -3.472 1.00 0.00 C ATOM 658 O SER A 46 -6.211 20.656 -3.502 1.00 0.00 O ATOM 659 CB SER A 46 -3.891 23.083 -3.346 1.00 0.00 C ATOM 660 OG SER A 46 -3.384 24.097 -2.495 1.00 0.00 O ATOM 0 H SER A 46 -2.398 21.270 -2.261 1.00 0.00 H new ATOM 0 HA SER A 46 -5.154 22.214 -1.840 1.00 0.00 H new ATOM 0 HB2 SER A 46 -3.113 22.763 -4.040 1.00 0.00 H new ATOM 0 HB3 SER A 46 -4.709 23.483 -3.946 1.00 0.00 H new ATOM 0 HG SER A 46 -3.073 24.853 -3.036 1.00 0.00 H new ATOM 666 N GLY A 47 -4.142 20.166 -4.235 1.00 0.00 N ATOM 667 CA GLY A 47 -4.615 19.154 -5.161 1.00 0.00 C ATOM 668 C GLY A 47 -3.838 19.150 -6.463 1.00 0.00 C ATOM 669 O GLY A 47 -4.392 18.862 -7.523 1.00 0.00 O ATOM 0 H GLY A 47 -3.131 20.301 -4.228 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -4.538 18.173 -4.693 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -5.671 19.324 -5.372 1.00 0.00 H new ATOM 673 N ASN A 48 -2.551 19.473 -6.383 1.00 0.00 N ATOM 674 CA ASN A 48 -1.697 19.508 -7.565 1.00 0.00 C ATOM 675 C ASN A 48 -0.795 18.279 -7.620 1.00 0.00 C ATOM 676 O ASN A 48 -0.430 17.716 -6.588 1.00 0.00 O ATOM 677 CB ASN A 48 -0.847 20.780 -7.568 1.00 0.00 C ATOM 678 CG ASN A 48 -1.655 22.015 -7.916 1.00 0.00 C ATOM 679 OD1 ASN A 48 -1.740 22.407 -9.079 1.00 0.00 O ATOM 680 ND2 ASN A 48 -2.253 22.634 -6.905 1.00 0.00 N ATOM 0 H ASN A 48 -2.077 19.714 -5.513 1.00 0.00 H new ATOM 0 HA ASN A 48 -2.338 19.506 -8.447 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -0.392 20.912 -6.586 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -0.033 20.668 -8.284 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -2.811 23.471 -7.077 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -2.155 22.273 -5.956 1.00 0.00 H new ATOM 687 N LYS A 49 -0.437 17.868 -8.832 1.00 0.00 N ATOM 688 CA LYS A 49 0.424 16.708 -9.025 1.00 0.00 C ATOM 689 C LYS A 49 1.893 17.088 -8.866 1.00 0.00 C ATOM 690 O LYS A 49 2.344 18.098 -9.406 1.00 0.00 O ATOM 691 CB LYS A 49 0.190 16.097 -10.408 1.00 0.00 C ATOM 692 CG LYS A 49 -1.128 15.353 -10.530 1.00 0.00 C ATOM 693 CD LYS A 49 -1.596 15.281 -11.974 1.00 0.00 C ATOM 694 CE LYS A 49 -0.994 14.085 -12.696 1.00 0.00 C ATOM 695 NZ LYS A 49 0.448 14.293 -13.006 1.00 0.00 N ATOM 0 H LYS A 49 -0.731 18.322 -9.697 1.00 0.00 H new ATOM 0 HA LYS A 49 0.174 15.970 -8.263 1.00 0.00 H new ATOM 0 HB2 LYS A 49 0.221 16.889 -11.156 1.00 0.00 H new ATOM 0 HB3 LYS A 49 1.007 15.412 -10.636 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -1.016 14.344 -10.132 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -1.886 15.852 -9.925 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -2.684 15.215 -12.002 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -1.319 16.198 -12.494 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -1.108 13.193 -12.079 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -1.542 13.905 -13.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 0.646 13.966 -13.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 0.677 15.304 -12.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 1.029 13.754 -12.333 1.00 0.00 H new ATOM 709 N PHE A 50 2.634 16.272 -8.124 1.00 0.00 N ATOM 710 CA PHE A 50 4.052 16.523 -7.896 1.00 0.00 C ATOM 711 C PHE A 50 4.878 16.126 -9.115 1.00 0.00 C ATOM 712 O PHE A 50 5.719 16.892 -9.588 1.00 0.00 O ATOM 713 CB PHE A 50 4.536 15.754 -6.665 1.00 0.00 C ATOM 714 CG PHE A 50 4.412 16.530 -5.385 1.00 0.00 C ATOM 715 CD1 PHE A 50 3.172 16.944 -4.928 1.00 0.00 C ATOM 716 CD2 PHE A 50 5.537 16.847 -4.640 1.00 0.00 C ATOM 717 CE1 PHE A 50 3.054 17.659 -3.750 1.00 0.00 C ATOM 718 CE2 PHE A 50 5.425 17.561 -3.462 1.00 0.00 C ATOM 719 CZ PHE A 50 4.183 17.968 -3.017 1.00 0.00 C ATOM 0 H PHE A 50 2.276 15.431 -7.670 1.00 0.00 H new ATOM 0 HA PHE A 50 4.183 17.591 -7.723 1.00 0.00 H new ATOM 0 HB2 PHE A 50 3.965 14.830 -6.577 1.00 0.00 H new ATOM 0 HB3 PHE A 50 5.579 15.472 -6.810 1.00 0.00 H new ATOM 0 HD1 PHE A 50 2.286 16.706 -5.498 1.00 0.00 H new ATOM 0 HD2 PHE A 50 6.511 16.533 -4.984 1.00 0.00 H new ATOM 0 HE1 PHE A 50 2.081 17.975 -3.404 1.00 0.00 H new ATOM 0 HE2 PHE A 50 6.309 17.801 -2.890 1.00 0.00 H new ATOM 0 HZ PHE A 50 4.094 18.527 -2.097 1.00 0.00 H new ATOM 729 N THR A 51 4.633 14.921 -9.622 1.00 0.00 N ATOM 730 CA THR A 51 5.354 14.420 -10.785 1.00 0.00 C ATOM 731 C THR A 51 6.860 14.582 -10.610 1.00 0.00 C ATOM 732 O THR A 51 7.589 14.787 -11.581 1.00 0.00 O ATOM 733 CB THR A 51 4.917 15.144 -12.072 1.00 0.00 C ATOM 734 OG1 THR A 51 5.179 16.547 -11.958 1.00 0.00 O ATOM 735 CG2 THR A 51 3.437 14.920 -12.343 1.00 0.00 C ATOM 0 H THR A 51 3.940 14.274 -9.245 1.00 0.00 H new ATOM 0 HA THR A 51 5.113 13.361 -10.874 1.00 0.00 H new ATOM 0 HB THR A 51 5.489 14.735 -12.905 1.00 0.00 H new ATOM 0 HG1 THR A 51 5.828 16.701 -11.240 1.00 0.00 H new ATOM 0 HG21 THR A 51 3.152 15.441 -13.257 1.00 0.00 H new ATOM 0 HG22 THR A 51 3.246 13.853 -12.458 1.00 0.00 H new ATOM 0 HG23 THR A 51 2.852 15.305 -11.508 1.00 0.00 H new ATOM 743 N SER A 52 7.320 14.490 -9.367 1.00 0.00 N ATOM 744 CA SER A 52 8.740 14.630 -9.065 1.00 0.00 C ATOM 745 C SER A 52 9.228 13.473 -8.199 1.00 0.00 C ATOM 746 O SER A 52 8.444 12.620 -7.784 1.00 0.00 O ATOM 747 CB SER A 52 9.004 15.959 -8.355 1.00 0.00 C ATOM 748 OG SER A 52 8.265 16.049 -7.149 1.00 0.00 O ATOM 0 H SER A 52 6.730 14.319 -8.552 1.00 0.00 H new ATOM 0 HA SER A 52 9.289 14.614 -10.006 1.00 0.00 H new ATOM 0 HB2 SER A 52 10.068 16.055 -8.141 1.00 0.00 H new ATOM 0 HB3 SER A 52 8.735 16.786 -9.012 1.00 0.00 H new ATOM 0 HG SER A 52 8.453 16.907 -6.714 1.00 0.00 H new ATOM 754 N SER A 53 10.530 13.451 -7.930 1.00 0.00 N ATOM 755 CA SER A 53 11.124 12.397 -7.116 1.00 0.00 C ATOM 756 C SER A 53 11.385 12.889 -5.696 1.00 0.00 C ATOM 757 O SER A 53 12.368 13.577 -5.420 1.00 0.00 O ATOM 758 CB SER A 53 12.431 11.912 -7.748 1.00 0.00 C ATOM 759 OG SER A 53 13.336 12.986 -7.935 1.00 0.00 O ATOM 0 H SER A 53 11.193 14.151 -8.264 1.00 0.00 H new ATOM 0 HA SER A 53 10.420 11.566 -7.070 1.00 0.00 H new ATOM 0 HB2 SER A 53 12.887 11.154 -7.111 1.00 0.00 H new ATOM 0 HB3 SER A 53 12.221 11.438 -8.707 1.00 0.00 H new ATOM 0 HG SER A 53 13.359 13.539 -7.126 1.00 0.00 H new ATOM 765 N PRO A 54 10.483 12.527 -4.771 1.00 0.00 N ATOM 766 CA PRO A 54 10.593 12.920 -3.363 1.00 0.00 C ATOM 767 C PRO A 54 11.747 12.219 -2.654 1.00 0.00 C ATOM 768 O PRO A 54 12.293 12.732 -1.678 1.00 0.00 O ATOM 769 CB PRO A 54 9.253 12.481 -2.767 1.00 0.00 C ATOM 770 CG PRO A 54 8.791 11.373 -3.649 1.00 0.00 C ATOM 771 CD PRO A 54 9.288 11.707 -5.028 1.00 0.00 C ATOM 0 HA PRO A 54 10.796 13.985 -3.251 1.00 0.00 H new ATOM 0 HB2 PRO A 54 9.369 12.145 -1.737 1.00 0.00 H new ATOM 0 HB3 PRO A 54 8.537 13.303 -2.755 1.00 0.00 H new ATOM 0 HG2 PRO A 54 9.188 10.415 -3.313 1.00 0.00 H new ATOM 0 HG3 PRO A 54 7.704 11.290 -3.635 1.00 0.00 H new ATOM 0 HD2 PRO A 54 9.532 10.809 -5.596 1.00 0.00 H new ATOM 0 HD3 PRO A 54 8.541 12.255 -5.603 1.00 0.00 H new ATOM 779 N GLY A 55 12.113 11.041 -3.151 1.00 0.00 N ATOM 780 CA GLY A 55 13.201 10.289 -2.552 1.00 0.00 C ATOM 781 C GLY A 55 13.167 8.822 -2.930 1.00 0.00 C ATOM 782 O GLY A 55 12.414 8.420 -3.816 1.00 0.00 O ATOM 0 H GLY A 55 11.676 10.594 -3.957 1.00 0.00 H new ATOM 0 HA2 GLY A 55 14.152 10.720 -2.865 1.00 0.00 H new ATOM 0 HA3 GLY A 55 13.150 10.383 -1.467 1.00 0.00 H new ATOM 786 N GLU A 56 13.987 8.020 -2.257 1.00 0.00 N ATOM 787 CA GLU A 56 14.049 6.589 -2.530 1.00 0.00 C ATOM 788 C GLU A 56 12.767 5.893 -2.081 1.00 0.00 C ATOM 789 O GLU A 56 11.944 5.492 -2.904 1.00 0.00 O ATOM 790 CB GLU A 56 15.255 5.965 -1.825 1.00 0.00 C ATOM 791 CG GLU A 56 16.518 5.959 -2.669 1.00 0.00 C ATOM 792 CD GLU A 56 16.259 5.538 -4.103 1.00 0.00 C ATOM 793 OE1 GLU A 56 16.220 4.318 -4.365 1.00 0.00 O ATOM 794 OE2 GLU A 56 16.096 6.429 -4.963 1.00 0.00 O ATOM 0 H GLU A 56 14.617 8.337 -1.520 1.00 0.00 H new ATOM 0 HA GLU A 56 14.157 6.455 -3.606 1.00 0.00 H new ATOM 0 HB2 GLU A 56 15.448 6.511 -0.902 1.00 0.00 H new ATOM 0 HB3 GLU A 56 15.011 4.940 -1.544 1.00 0.00 H new ATOM 0 HG2 GLU A 56 16.961 6.955 -2.661 1.00 0.00 H new ATOM 0 HG3 GLU A 56 17.246 5.283 -2.222 1.00 0.00 H new ATOM 801 N LYS A 57 12.606 5.753 -0.770 1.00 0.00 N ATOM 802 CA LYS A 57 11.425 5.107 -0.209 1.00 0.00 C ATOM 803 C LYS A 57 10.754 6.003 0.827 1.00 0.00 C ATOM 804 O LYS A 57 11.143 6.018 1.995 1.00 0.00 O ATOM 805 CB LYS A 57 11.805 3.769 0.429 1.00 0.00 C ATOM 806 CG LYS A 57 12.928 3.046 -0.295 1.00 0.00 C ATOM 807 CD LYS A 57 12.410 2.278 -1.500 1.00 0.00 C ATOM 808 CE LYS A 57 11.876 0.911 -1.102 1.00 0.00 C ATOM 809 NZ LYS A 57 12.976 -0.058 -0.838 1.00 0.00 N ATOM 0 H LYS A 57 13.279 6.078 -0.076 1.00 0.00 H new ATOM 0 HA LYS A 57 10.720 4.929 -1.021 1.00 0.00 H new ATOM 0 HB2 LYS A 57 12.103 3.941 1.463 1.00 0.00 H new ATOM 0 HB3 LYS A 57 10.926 3.125 0.453 1.00 0.00 H new ATOM 0 HG2 LYS A 57 13.679 3.768 -0.617 1.00 0.00 H new ATOM 0 HG3 LYS A 57 13.421 2.358 0.392 1.00 0.00 H new ATOM 0 HD2 LYS A 57 11.620 2.851 -1.986 1.00 0.00 H new ATOM 0 HD3 LYS A 57 13.212 2.159 -2.229 1.00 0.00 H new ATOM 0 HE2 LYS A 57 11.256 1.009 -0.211 1.00 0.00 H new ATOM 0 HE3 LYS A 57 11.235 0.526 -1.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 12.575 -1.005 -0.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 13.621 -0.082 -1.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 13.501 0.236 0.010 1.00 0.00 H new ATOM 823 N VAL A 58 9.744 6.749 0.391 1.00 0.00 N ATOM 824 CA VAL A 58 9.017 7.647 1.282 1.00 0.00 C ATOM 825 C VAL A 58 7.683 7.042 1.702 1.00 0.00 C ATOM 826 O VAL A 58 7.256 7.188 2.848 1.00 0.00 O ATOM 827 CB VAL A 58 8.763 9.012 0.616 1.00 0.00 C ATOM 828 CG1 VAL A 58 10.079 9.690 0.265 1.00 0.00 C ATOM 829 CG2 VAL A 58 7.892 8.848 -0.621 1.00 0.00 C ATOM 0 H VAL A 58 9.410 6.750 -0.573 1.00 0.00 H new ATOM 0 HA VAL A 58 9.640 7.792 2.164 1.00 0.00 H new ATOM 0 HB VAL A 58 8.232 9.648 1.325 1.00 0.00 H new ATOM 0 HG11 VAL A 58 9.878 10.653 -0.205 1.00 0.00 H new ATOM 0 HG12 VAL A 58 10.663 9.844 1.173 1.00 0.00 H new ATOM 0 HG13 VAL A 58 10.640 9.060 -0.425 1.00 0.00 H new ATOM 0 HG21 VAL A 58 7.723 9.823 -1.079 1.00 0.00 H new ATOM 0 HG22 VAL A 58 8.393 8.194 -1.335 1.00 0.00 H new ATOM 0 HG23 VAL A 58 6.935 8.410 -0.337 1.00 0.00 H new ATOM 839 N PHE A 59 7.027 6.362 0.768 1.00 0.00 N ATOM 840 CA PHE A 59 5.739 5.734 1.041 1.00 0.00 C ATOM 841 C PHE A 59 5.912 4.249 1.344 1.00 0.00 C ATOM 842 O PHE A 59 6.669 3.552 0.670 1.00 0.00 O ATOM 843 CB PHE A 59 4.796 5.917 -0.149 1.00 0.00 C ATOM 844 CG PHE A 59 4.292 7.324 -0.305 1.00 0.00 C ATOM 845 CD1 PHE A 59 3.552 7.924 0.701 1.00 0.00 C ATOM 846 CD2 PHE A 59 4.559 8.046 -1.457 1.00 0.00 C ATOM 847 CE1 PHE A 59 3.088 9.218 0.562 1.00 0.00 C ATOM 848 CE2 PHE A 59 4.098 9.340 -1.602 1.00 0.00 C ATOM 849 CZ PHE A 59 3.360 9.927 -0.592 1.00 0.00 C ATOM 0 H PHE A 59 7.366 6.231 -0.185 1.00 0.00 H new ATOM 0 HA PHE A 59 5.305 6.217 1.916 1.00 0.00 H new ATOM 0 HB2 PHE A 59 5.314 5.622 -1.061 1.00 0.00 H new ATOM 0 HB3 PHE A 59 3.945 5.246 -0.034 1.00 0.00 H new ATOM 0 HD1 PHE A 59 3.335 7.374 1.605 1.00 0.00 H new ATOM 0 HD2 PHE A 59 5.134 7.592 -2.250 1.00 0.00 H new ATOM 0 HE1 PHE A 59 2.513 9.675 1.354 1.00 0.00 H new ATOM 0 HE2 PHE A 59 4.314 9.893 -2.504 1.00 0.00 H new ATOM 0 HZ PHE A 59 2.997 10.938 -0.705 1.00 0.00 H new ATOM 859 N GLN A 60 5.204 3.773 2.364 1.00 0.00 N ATOM 860 CA GLN A 60 5.279 2.371 2.757 1.00 0.00 C ATOM 861 C GLN A 60 3.922 1.690 2.610 1.00 0.00 C ATOM 862 O GLN A 60 2.885 2.352 2.578 1.00 0.00 O ATOM 863 CB GLN A 60 5.770 2.250 4.201 1.00 0.00 C ATOM 864 CG GLN A 60 6.027 0.817 4.638 1.00 0.00 C ATOM 865 CD GLN A 60 6.382 0.710 6.108 1.00 0.00 C ATOM 866 OE1 GLN A 60 7.228 1.451 6.610 1.00 0.00 O ATOM 867 NE2 GLN A 60 5.735 -0.215 6.808 1.00 0.00 N ATOM 0 H GLN A 60 4.573 4.337 2.932 1.00 0.00 H new ATOM 0 HA GLN A 60 5.988 1.872 2.096 1.00 0.00 H new ATOM 0 HB2 GLN A 60 6.689 2.826 4.313 1.00 0.00 H new ATOM 0 HB3 GLN A 60 5.031 2.697 4.866 1.00 0.00 H new ATOM 0 HG2 GLN A 60 5.140 0.215 4.438 1.00 0.00 H new ATOM 0 HG3 GLN A 60 6.837 0.399 4.041 1.00 0.00 H new ATOM 0 HE21 GLN A 60 5.041 -0.808 6.352 1.00 0.00 H new ATOM 0 HE22 GLN A 60 5.932 -0.333 7.802 1.00 0.00 H new ATOM 876 N VAL A 61 3.938 0.364 2.522 1.00 0.00 N ATOM 877 CA VAL A 61 2.708 -0.407 2.379 1.00 0.00 C ATOM 878 C VAL A 61 2.752 -1.673 3.227 1.00 0.00 C ATOM 879 O VAL A 61 3.800 -2.304 3.368 1.00 0.00 O ATOM 880 CB VAL A 61 2.456 -0.795 0.910 1.00 0.00 C ATOM 881 CG1 VAL A 61 1.175 -1.605 0.783 1.00 0.00 C ATOM 882 CG2 VAL A 61 2.400 0.448 0.033 1.00 0.00 C ATOM 0 H VAL A 61 4.788 -0.199 2.547 1.00 0.00 H new ATOM 0 HA VAL A 61 1.893 0.230 2.723 1.00 0.00 H new ATOM 0 HB VAL A 61 3.285 -1.416 0.569 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.014 -1.870 -0.262 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.259 -2.514 1.379 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.333 -1.013 1.141 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.221 0.156 -1.002 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.592 1.096 0.372 1.00 0.00 H new ATOM 0 HG23 VAL A 61 3.347 0.984 0.100 1.00 0.00 H new ATOM 892 N LYS A 62 1.606 -2.041 3.791 1.00 0.00 N ATOM 893 CA LYS A 62 1.511 -3.233 4.624 1.00 0.00 C ATOM 894 C LYS A 62 0.364 -4.128 4.165 1.00 0.00 C ATOM 895 O LYS A 62 -0.769 -3.671 4.009 1.00 0.00 O ATOM 896 CB LYS A 62 1.311 -2.841 6.090 1.00 0.00 C ATOM 897 CG LYS A 62 0.724 -3.953 6.942 1.00 0.00 C ATOM 898 CD LYS A 62 1.171 -3.840 8.390 1.00 0.00 C ATOM 899 CE LYS A 62 1.213 -5.201 9.068 1.00 0.00 C ATOM 900 NZ LYS A 62 2.461 -5.945 8.741 1.00 0.00 N ATOM 0 H LYS A 62 0.730 -1.530 3.686 1.00 0.00 H new ATOM 0 HA LYS A 62 2.443 -3.789 4.527 1.00 0.00 H new ATOM 0 HB2 LYS A 62 2.270 -2.540 6.511 1.00 0.00 H new ATOM 0 HB3 LYS A 62 0.655 -1.972 6.139 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -0.364 -3.915 6.892 1.00 0.00 H new ATOM 0 HG3 LYS A 62 1.028 -4.920 6.541 1.00 0.00 H new ATOM 0 HD2 LYS A 62 2.159 -3.381 8.432 1.00 0.00 H new ATOM 0 HD3 LYS A 62 0.490 -3.183 8.932 1.00 0.00 H new ATOM 0 HE2 LYS A 62 1.140 -5.071 10.148 1.00 0.00 H new ATOM 0 HE3 LYS A 62 0.348 -5.788 8.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.452 -6.867 9.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 2.519 -6.091 7.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 3.285 -5.397 9.059 1.00 0.00 H new ATOM 914 N VAL A 63 0.665 -5.405 3.952 1.00 0.00 N ATOM 915 CA VAL A 63 -0.342 -6.364 3.513 1.00 0.00 C ATOM 916 C VAL A 63 -0.486 -7.506 4.513 1.00 0.00 C ATOM 917 O VAL A 63 0.503 -8.111 4.927 1.00 0.00 O ATOM 918 CB VAL A 63 0.005 -6.949 2.131 1.00 0.00 C ATOM 919 CG1 VAL A 63 -1.026 -7.988 1.717 1.00 0.00 C ATOM 920 CG2 VAL A 63 0.102 -5.840 1.093 1.00 0.00 C ATOM 0 H VAL A 63 1.597 -5.799 4.076 1.00 0.00 H new ATOM 0 HA VAL A 63 -1.286 -5.823 3.444 1.00 0.00 H new ATOM 0 HB VAL A 63 0.975 -7.441 2.197 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -0.764 -8.390 0.738 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -1.043 -8.796 2.449 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -2.011 -7.524 1.667 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.348 -6.271 0.122 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -0.853 -5.319 1.027 1.00 0.00 H new ATOM 0 HG23 VAL A 63 0.881 -5.135 1.385 1.00 0.00 H new ATOM 930 N SER A 64 -1.725 -7.795 4.899 1.00 0.00 N ATOM 931 CA SER A 64 -1.999 -8.862 5.854 1.00 0.00 C ATOM 932 C SER A 64 -3.414 -9.403 5.673 1.00 0.00 C ATOM 933 O SER A 64 -4.339 -8.657 5.356 1.00 0.00 O ATOM 934 CB SER A 64 -1.813 -8.355 7.285 1.00 0.00 C ATOM 935 OG SER A 64 -2.827 -7.427 7.632 1.00 0.00 O ATOM 0 H SER A 64 -2.555 -7.305 4.565 1.00 0.00 H new ATOM 0 HA SER A 64 -1.293 -9.672 5.669 1.00 0.00 H new ATOM 0 HB2 SER A 64 -1.833 -9.196 7.978 1.00 0.00 H new ATOM 0 HB3 SER A 64 -0.835 -7.884 7.383 1.00 0.00 H new ATOM 0 HG SER A 64 -2.687 -7.119 8.552 1.00 0.00 H new ATOM 941 N ALA A 65 -3.573 -10.707 5.877 1.00 0.00 N ATOM 942 CA ALA A 65 -4.874 -11.348 5.739 1.00 0.00 C ATOM 943 C ALA A 65 -5.453 -11.715 7.101 1.00 0.00 C ATOM 944 O ALA A 65 -4.750 -12.189 7.994 1.00 0.00 O ATOM 945 CB ALA A 65 -4.762 -12.585 4.860 1.00 0.00 C ATOM 0 H ALA A 65 -2.817 -11.339 6.138 1.00 0.00 H new ATOM 0 HA ALA A 65 -5.552 -10.639 5.265 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -5.741 -13.054 4.765 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -4.400 -12.298 3.873 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -4.064 -13.290 5.311 1.00 0.00 H new ATOM 951 N PRO A 66 -6.765 -11.491 7.267 1.00 0.00 N ATOM 952 CA PRO A 66 -7.467 -11.791 8.519 1.00 0.00 C ATOM 953 C PRO A 66 -7.591 -13.291 8.769 1.00 0.00 C ATOM 954 O PRO A 66 -7.302 -13.772 9.864 1.00 0.00 O ATOM 955 CB PRO A 66 -8.849 -11.168 8.309 1.00 0.00 C ATOM 956 CG PRO A 66 -9.033 -11.144 6.831 1.00 0.00 C ATOM 957 CD PRO A 66 -7.664 -10.929 6.246 1.00 0.00 C ATOM 0 HA PRO A 66 -6.936 -11.401 9.387 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -9.627 -11.757 8.795 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -8.899 -10.164 8.731 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -9.466 -12.079 6.477 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -9.713 -10.345 6.535 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -7.552 -11.437 5.288 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -7.463 -9.872 6.071 1.00 0.00 H new ATOM 965 N GLU A 67 -8.021 -14.023 7.746 1.00 0.00 N ATOM 966 CA GLU A 67 -8.183 -15.468 7.857 1.00 0.00 C ATOM 967 C GLU A 67 -6.995 -16.095 8.581 1.00 0.00 C ATOM 968 O GLU A 67 -7.114 -16.532 9.724 1.00 0.00 O ATOM 969 CB GLU A 67 -8.337 -16.094 6.469 1.00 0.00 C ATOM 970 CG GLU A 67 -8.792 -17.543 6.502 1.00 0.00 C ATOM 971 CD GLU A 67 -9.561 -17.942 5.257 1.00 0.00 C ATOM 972 OE1 GLU A 67 -10.149 -17.048 4.612 1.00 0.00 O ATOM 973 OE2 GLU A 67 -9.576 -19.146 4.929 1.00 0.00 O ATOM 0 H GLU A 67 -8.263 -13.640 6.832 1.00 0.00 H new ATOM 0 HA GLU A 67 -9.084 -15.663 8.438 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -9.055 -15.510 5.894 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.383 -16.033 5.944 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -7.922 -18.191 6.610 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -9.419 -17.703 7.379 1.00 0.00 H new ATOM 980 N GLU A 68 -5.852 -16.134 7.904 1.00 0.00 N ATOM 981 CA GLU A 68 -4.643 -16.709 8.483 1.00 0.00 C ATOM 982 C GLU A 68 -3.978 -15.725 9.442 1.00 0.00 C ATOM 983 O GLU A 68 -3.924 -14.525 9.176 1.00 0.00 O ATOM 984 CB GLU A 68 -3.660 -17.104 7.378 1.00 0.00 C ATOM 985 CG GLU A 68 -4.250 -18.056 6.351 1.00 0.00 C ATOM 986 CD GLU A 68 -4.505 -19.439 6.916 1.00 0.00 C ATOM 987 OE1 GLU A 68 -5.382 -19.569 7.795 1.00 0.00 O ATOM 988 OE2 GLU A 68 -3.827 -20.392 6.479 1.00 0.00 O ATOM 0 H GLU A 68 -5.737 -15.775 6.956 1.00 0.00 H new ATOM 0 HA GLU A 68 -4.927 -17.600 9.043 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -3.316 -16.203 6.870 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -2.784 -17.569 7.831 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -5.186 -17.643 5.974 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -3.571 -18.134 5.502 1.00 0.00 H new ATOM 995 N GLN A 69 -3.474 -16.245 10.557 1.00 0.00 N ATOM 996 CA GLN A 69 -2.814 -15.412 11.556 1.00 0.00 C ATOM 997 C GLN A 69 -1.482 -14.887 11.032 1.00 0.00 C ATOM 998 O GLN A 69 -1.161 -13.709 11.193 1.00 0.00 O ATOM 999 CB GLN A 69 -2.592 -16.206 12.845 1.00 0.00 C ATOM 1000 CG GLN A 69 -1.648 -17.386 12.678 1.00 0.00 C ATOM 1001 CD GLN A 69 -1.654 -18.312 13.878 1.00 0.00 C ATOM 1002 OE1 GLN A 69 -0.901 -18.116 14.832 1.00 0.00 O ATOM 1003 NE2 GLN A 69 -2.506 -19.329 13.836 1.00 0.00 N ATOM 0 H GLN A 69 -3.510 -17.237 10.791 1.00 0.00 H new ATOM 0 HA GLN A 69 -3.461 -14.561 11.769 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -2.194 -15.538 13.609 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -3.553 -16.569 13.208 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -1.930 -17.949 11.788 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -0.636 -17.016 12.514 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -3.112 -19.454 13.025 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -2.555 -19.986 14.615 1.00 0.00 H new ATOM 1012 N PHE A 70 -0.708 -15.768 10.406 1.00 0.00 N ATOM 1013 CA PHE A 70 0.591 -15.392 9.860 1.00 0.00 C ATOM 1014 C PHE A 70 0.527 -15.269 8.341 1.00 0.00 C ATOM 1015 O PHE A 70 0.020 -16.158 7.654 1.00 0.00 O ATOM 1016 CB PHE A 70 1.651 -16.423 10.256 1.00 0.00 C ATOM 1017 CG PHE A 70 1.446 -17.767 9.619 1.00 0.00 C ATOM 1018 CD1 PHE A 70 1.776 -17.976 8.289 1.00 0.00 C ATOM 1019 CD2 PHE A 70 0.925 -18.823 10.350 1.00 0.00 C ATOM 1020 CE1 PHE A 70 1.588 -19.213 7.701 1.00 0.00 C ATOM 1021 CE2 PHE A 70 0.736 -20.062 9.767 1.00 0.00 C ATOM 1022 CZ PHE A 70 1.069 -20.257 8.441 1.00 0.00 C ATOM 0 H PHE A 70 -0.958 -16.747 10.264 1.00 0.00 H new ATOM 0 HA PHE A 70 0.865 -14.422 10.274 1.00 0.00 H new ATOM 0 HB2 PHE A 70 2.635 -16.045 9.980 1.00 0.00 H new ATOM 0 HB3 PHE A 70 1.647 -16.539 11.340 1.00 0.00 H new ATOM 0 HD1 PHE A 70 2.184 -17.164 7.706 1.00 0.00 H new ATOM 0 HD2 PHE A 70 0.664 -18.676 11.388 1.00 0.00 H new ATOM 0 HE1 PHE A 70 1.847 -19.363 6.663 1.00 0.00 H new ATOM 0 HE2 PHE A 70 0.329 -20.876 10.348 1.00 0.00 H new ATOM 0 HZ PHE A 70 0.924 -21.224 7.983 1.00 0.00 H new ATOM 1032 N THR A 71 1.044 -14.160 7.820 1.00 0.00 N ATOM 1033 CA THR A 71 1.045 -13.919 6.383 1.00 0.00 C ATOM 1034 C THR A 71 2.428 -13.503 5.896 1.00 0.00 C ATOM 1035 O THR A 71 3.092 -12.673 6.518 1.00 0.00 O ATOM 1036 CB THR A 71 0.028 -12.829 5.996 1.00 0.00 C ATOM 1037 OG1 THR A 71 -1.304 -13.290 6.247 1.00 0.00 O ATOM 1038 CG2 THR A 71 0.171 -12.451 4.530 1.00 0.00 C ATOM 0 H THR A 71 1.467 -13.415 8.373 1.00 0.00 H new ATOM 0 HA THR A 71 0.762 -14.857 5.905 1.00 0.00 H new ATOM 0 HB THR A 71 0.227 -11.946 6.603 1.00 0.00 H new ATOM 0 HG1 THR A 71 -1.857 -13.140 5.452 1.00 0.00 H new ATOM 0 HG21 THR A 71 -0.558 -11.680 4.280 1.00 0.00 H new ATOM 0 HG22 THR A 71 1.177 -12.072 4.348 1.00 0.00 H new ATOM 0 HG23 THR A 71 -0.004 -13.330 3.909 1.00 0.00 H new ATOM 1046 N ARG A 72 2.858 -14.084 4.781 1.00 0.00 N ATOM 1047 CA ARG A 72 4.163 -13.773 4.211 1.00 0.00 C ATOM 1048 C ARG A 72 4.016 -13.073 2.863 1.00 0.00 C ATOM 1049 O ARG A 72 3.598 -13.682 1.878 1.00 0.00 O ATOM 1050 CB ARG A 72 4.989 -15.051 4.047 1.00 0.00 C ATOM 1051 CG ARG A 72 4.253 -16.161 3.315 1.00 0.00 C ATOM 1052 CD ARG A 72 4.999 -17.483 3.412 1.00 0.00 C ATOM 1053 NE ARG A 72 5.987 -17.633 2.348 1.00 0.00 N ATOM 1054 CZ ARG A 72 5.670 -17.835 1.074 1.00 0.00 C ATOM 1055 NH1 ARG A 72 4.398 -17.911 0.708 1.00 0.00 N ATOM 1056 NH2 ARG A 72 6.627 -17.962 0.163 1.00 0.00 N ATOM 0 H ARG A 72 2.321 -14.773 4.254 1.00 0.00 H new ATOM 0 HA ARG A 72 4.679 -13.100 4.895 1.00 0.00 H new ATOM 0 HB2 ARG A 72 5.905 -14.815 3.505 1.00 0.00 H new ATOM 0 HB3 ARG A 72 5.285 -15.411 5.032 1.00 0.00 H new ATOM 0 HG2 ARG A 72 3.253 -16.274 3.735 1.00 0.00 H new ATOM 0 HG3 ARG A 72 4.130 -15.888 2.267 1.00 0.00 H new ATOM 0 HD2 ARG A 72 5.496 -17.549 4.380 1.00 0.00 H new ATOM 0 HD3 ARG A 72 4.286 -18.306 3.363 1.00 0.00 H new ATOM 0 HE ARG A 72 6.975 -17.580 2.596 1.00 0.00 H new ATOM 0 HH11 ARG A 72 3.660 -17.814 1.405 1.00 0.00 H new ATOM 0 HH12 ARG A 72 4.157 -18.066 -0.271 1.00 0.00 H new ATOM 0 HH21 ARG A 72 7.607 -17.905 0.441 1.00 0.00 H new ATOM 0 HH22 ARG A 72 6.383 -18.117 -0.815 1.00 0.00 H new ATOM 1070 N VAL A 73 4.361 -11.790 2.828 1.00 0.00 N ATOM 1071 CA VAL A 73 4.267 -11.007 1.602 1.00 0.00 C ATOM 1072 C VAL A 73 5.505 -10.137 1.410 1.00 0.00 C ATOM 1073 O VAL A 73 5.870 -9.356 2.287 1.00 0.00 O ATOM 1074 CB VAL A 73 3.017 -10.107 1.604 1.00 0.00 C ATOM 1075 CG1 VAL A 73 2.957 -9.272 0.335 1.00 0.00 C ATOM 1076 CG2 VAL A 73 1.758 -10.947 1.759 1.00 0.00 C ATOM 0 H VAL A 73 4.708 -11.271 3.635 1.00 0.00 H new ATOM 0 HA VAL A 73 4.193 -11.717 0.778 1.00 0.00 H new ATOM 0 HB VAL A 73 3.081 -9.427 2.454 1.00 0.00 H new ATOM 0 HG11 VAL A 73 2.067 -8.643 0.355 1.00 0.00 H new ATOM 0 HG12 VAL A 73 3.845 -8.643 0.271 1.00 0.00 H new ATOM 0 HG13 VAL A 73 2.916 -9.931 -0.532 1.00 0.00 H new ATOM 0 HG21 VAL A 73 0.884 -10.296 1.759 1.00 0.00 H new ATOM 0 HG22 VAL A 73 1.686 -11.651 0.930 1.00 0.00 H new ATOM 0 HG23 VAL A 73 1.801 -11.496 2.699 1.00 0.00 H new ATOM 1086 N GLY A 74 6.147 -10.278 0.254 1.00 0.00 N ATOM 1087 CA GLY A 74 7.337 -9.499 -0.033 1.00 0.00 C ATOM 1088 C GLY A 74 7.023 -8.209 -0.765 1.00 0.00 C ATOM 1089 O GLY A 74 7.277 -8.089 -1.964 1.00 0.00 O ATOM 0 H GLY A 74 5.864 -10.918 -0.488 1.00 0.00 H new ATOM 0 HA2 GLY A 74 7.850 -9.268 0.901 1.00 0.00 H new ATOM 0 HA3 GLY A 74 8.023 -10.097 -0.634 1.00 0.00 H new ATOM 1093 N VAL A 75 6.466 -7.241 -0.044 1.00 0.00 N ATOM 1094 CA VAL A 75 6.116 -5.954 -0.633 1.00 0.00 C ATOM 1095 C VAL A 75 7.363 -5.131 -0.935 1.00 0.00 C ATOM 1096 O VAL A 75 8.353 -5.196 -0.207 1.00 0.00 O ATOM 1097 CB VAL A 75 5.192 -5.144 0.297 1.00 0.00 C ATOM 1098 CG1 VAL A 75 4.945 -3.756 -0.273 1.00 0.00 C ATOM 1099 CG2 VAL A 75 3.880 -5.881 0.517 1.00 0.00 C ATOM 0 H VAL A 75 6.248 -7.324 0.949 1.00 0.00 H new ATOM 0 HA VAL A 75 5.589 -6.164 -1.564 1.00 0.00 H new ATOM 0 HB VAL A 75 5.685 -5.031 1.263 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.291 -3.199 0.397 1.00 0.00 H new ATOM 0 HG12 VAL A 75 5.894 -3.230 -0.374 1.00 0.00 H new ATOM 0 HG13 VAL A 75 4.473 -3.843 -1.252 1.00 0.00 H new ATOM 0 HG21 VAL A 75 3.240 -5.295 1.176 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.379 -6.026 -0.440 1.00 0.00 H new ATOM 0 HG23 VAL A 75 4.079 -6.851 0.973 1.00 0.00 H new ATOM 1109 N GLN A 76 7.306 -4.356 -2.014 1.00 0.00 N ATOM 1110 CA GLN A 76 8.432 -3.519 -2.413 1.00 0.00 C ATOM 1111 C GLN A 76 7.950 -2.273 -3.148 1.00 0.00 C ATOM 1112 O GLN A 76 7.169 -2.362 -4.096 1.00 0.00 O ATOM 1113 CB GLN A 76 9.393 -4.311 -3.301 1.00 0.00 C ATOM 1114 CG GLN A 76 10.572 -3.492 -3.801 1.00 0.00 C ATOM 1115 CD GLN A 76 11.801 -4.340 -4.065 1.00 0.00 C ATOM 1116 OE1 GLN A 76 12.015 -5.363 -3.413 1.00 0.00 O ATOM 1117 NE2 GLN A 76 12.617 -3.919 -5.024 1.00 0.00 N ATOM 0 H GLN A 76 6.493 -4.290 -2.627 1.00 0.00 H new ATOM 0 HA GLN A 76 8.958 -3.205 -1.511 1.00 0.00 H new ATOM 0 HB2 GLN A 76 9.768 -5.169 -2.742 1.00 0.00 H new ATOM 0 HB3 GLN A 76 8.844 -4.703 -4.157 1.00 0.00 H new ATOM 0 HG2 GLN A 76 10.288 -2.975 -4.718 1.00 0.00 H new ATOM 0 HG3 GLN A 76 10.815 -2.725 -3.065 1.00 0.00 H new ATOM 0 HE21 GLN A 76 12.401 -3.066 -5.539 1.00 0.00 H new ATOM 0 HE22 GLN A 76 13.460 -4.449 -5.246 1.00 0.00 H new ATOM 1126 N VAL A 77 8.421 -1.111 -2.706 1.00 0.00 N ATOM 1127 CA VAL A 77 8.038 0.153 -3.322 1.00 0.00 C ATOM 1128 C VAL A 77 9.187 0.736 -4.138 1.00 0.00 C ATOM 1129 O VAL A 77 10.105 1.348 -3.590 1.00 0.00 O ATOM 1130 CB VAL A 77 7.600 1.184 -2.265 1.00 0.00 C ATOM 1131 CG1 VAL A 77 7.406 2.552 -2.900 1.00 0.00 C ATOM 1132 CG2 VAL A 77 6.327 0.724 -1.570 1.00 0.00 C ATOM 0 H VAL A 77 9.069 -1.019 -1.923 1.00 0.00 H new ATOM 0 HA VAL A 77 7.197 -0.059 -3.982 1.00 0.00 H new ATOM 0 HB VAL A 77 8.387 1.267 -1.516 1.00 0.00 H new ATOM 0 HG11 VAL A 77 7.097 3.267 -2.137 1.00 0.00 H new ATOM 0 HG12 VAL A 77 8.344 2.882 -3.347 1.00 0.00 H new ATOM 0 HG13 VAL A 77 6.638 2.490 -3.671 1.00 0.00 H new ATOM 0 HG21 VAL A 77 6.031 1.464 -0.826 1.00 0.00 H new ATOM 0 HG22 VAL A 77 5.531 0.611 -2.306 1.00 0.00 H new ATOM 0 HG23 VAL A 77 6.506 -0.233 -1.079 1.00 0.00 H new ATOM 1142 N LEU A 78 9.131 0.543 -5.451 1.00 0.00 N ATOM 1143 CA LEU A 78 10.166 1.050 -6.344 1.00 0.00 C ATOM 1144 C LEU A 78 9.622 2.164 -7.233 1.00 0.00 C ATOM 1145 O LEU A 78 8.481 2.103 -7.692 1.00 0.00 O ATOM 1146 CB LEU A 78 10.721 -0.083 -7.210 1.00 0.00 C ATOM 1147 CG LEU A 78 12.163 0.083 -7.690 1.00 0.00 C ATOM 1148 CD1 LEU A 78 12.242 1.126 -8.793 1.00 0.00 C ATOM 1149 CD2 LEU A 78 13.071 0.462 -6.529 1.00 0.00 C ATOM 0 H LEU A 78 8.379 0.039 -5.921 1.00 0.00 H new ATOM 0 HA LEU A 78 10.970 1.459 -5.732 1.00 0.00 H new ATOM 0 HB2 LEU A 78 10.652 -1.012 -6.645 1.00 0.00 H new ATOM 0 HB3 LEU A 78 10.079 -0.193 -8.084 1.00 0.00 H new ATOM 0 HG LEU A 78 12.503 -0.870 -8.095 1.00 0.00 H new ATOM 0 HD11 LEU A 78 13.276 1.230 -9.122 1.00 0.00 H new ATOM 0 HD12 LEU A 78 11.623 0.813 -9.634 1.00 0.00 H new ATOM 0 HD13 LEU A 78 11.883 2.083 -8.415 1.00 0.00 H new ATOM 0 HD21 LEU A 78 14.094 0.576 -6.889 1.00 0.00 H new ATOM 0 HD22 LEU A 78 12.732 1.402 -6.094 1.00 0.00 H new ATOM 0 HD23 LEU A 78 13.038 -0.321 -5.771 1.00 0.00 H new ATOM 1161 N ASP A 79 10.445 3.178 -7.473 1.00 0.00 N ATOM 1162 CA ASP A 79 10.048 4.304 -8.309 1.00 0.00 C ATOM 1163 C ASP A 79 10.365 4.030 -9.776 1.00 0.00 C ATOM 1164 O ASP A 79 11.530 3.968 -10.168 1.00 0.00 O ATOM 1165 CB ASP A 79 10.754 5.581 -7.852 1.00 0.00 C ATOM 1166 CG ASP A 79 10.133 6.831 -8.445 1.00 0.00 C ATOM 1167 OD1 ASP A 79 8.901 6.994 -8.328 1.00 0.00 O ATOM 1168 OD2 ASP A 79 10.880 7.646 -9.026 1.00 0.00 O ATOM 0 H ASP A 79 11.392 3.243 -7.100 1.00 0.00 H new ATOM 0 HA ASP A 79 8.971 4.438 -8.207 1.00 0.00 H new ATOM 0 HB2 ASP A 79 10.719 5.643 -6.764 1.00 0.00 H new ATOM 0 HB3 ASP A 79 11.806 5.532 -8.135 1.00 0.00 H new ATOM 1173 N ARG A 80 9.321 3.867 -10.582 1.00 0.00 N ATOM 1174 CA ARG A 80 9.488 3.597 -12.005 1.00 0.00 C ATOM 1175 C ARG A 80 9.341 4.878 -12.821 1.00 0.00 C ATOM 1176 O ARG A 80 10.262 5.285 -13.530 1.00 0.00 O ATOM 1177 CB ARG A 80 8.466 2.561 -12.473 1.00 0.00 C ATOM 1178 CG ARG A 80 8.616 1.208 -11.795 1.00 0.00 C ATOM 1179 CD ARG A 80 7.950 0.104 -12.602 1.00 0.00 C ATOM 1180 NE ARG A 80 8.432 0.065 -13.979 1.00 0.00 N ATOM 1181 CZ ARG A 80 9.576 -0.506 -14.342 1.00 0.00 C ATOM 1182 NH1 ARG A 80 10.349 -1.084 -13.433 1.00 0.00 N ATOM 1183 NH2 ARG A 80 9.947 -0.501 -15.615 1.00 0.00 N ATOM 0 H ARG A 80 8.350 3.917 -10.274 1.00 0.00 H new ATOM 0 HA ARG A 80 10.492 3.201 -12.159 1.00 0.00 H new ATOM 0 HB2 ARG A 80 7.462 2.943 -12.285 1.00 0.00 H new ATOM 0 HB3 ARG A 80 8.561 2.430 -13.551 1.00 0.00 H new ATOM 0 HG2 ARG A 80 9.674 0.979 -11.667 1.00 0.00 H new ATOM 0 HG3 ARG A 80 8.176 1.248 -10.799 1.00 0.00 H new ATOM 0 HD2 ARG A 80 8.138 -0.858 -12.125 1.00 0.00 H new ATOM 0 HD3 ARG A 80 6.870 0.255 -12.600 1.00 0.00 H new ATOM 0 HE ARG A 80 7.859 0.500 -14.703 1.00 0.00 H new ATOM 0 HH11 ARG A 80 10.066 -1.091 -12.453 1.00 0.00 H new ATOM 0 HH12 ARG A 80 11.227 -1.522 -13.714 1.00 0.00 H new ATOM 0 HH21 ARG A 80 9.354 -0.059 -16.317 1.00 0.00 H new ATOM 0 HH22 ARG A 80 10.825 -0.940 -15.892 1.00 0.00 H new ATOM 1197 N LYS A 81 8.176 5.509 -12.718 1.00 0.00 N ATOM 1198 CA LYS A 81 7.907 6.743 -13.446 1.00 0.00 C ATOM 1199 C LYS A 81 8.670 7.913 -12.833 1.00 0.00 C ATOM 1200 O LYS A 81 9.468 7.733 -11.914 1.00 0.00 O ATOM 1201 CB LYS A 81 6.406 7.043 -13.445 1.00 0.00 C ATOM 1202 CG LYS A 81 5.903 7.637 -14.749 1.00 0.00 C ATOM 1203 CD LYS A 81 4.761 8.611 -14.515 1.00 0.00 C ATOM 1204 CE LYS A 81 3.883 8.748 -15.749 1.00 0.00 C ATOM 1205 NZ LYS A 81 3.168 10.054 -15.780 1.00 0.00 N ATOM 0 H LYS A 81 7.403 5.186 -12.137 1.00 0.00 H new ATOM 0 HA LYS A 81 8.244 6.610 -14.474 1.00 0.00 H new ATOM 0 HB2 LYS A 81 5.860 6.122 -13.241 1.00 0.00 H new ATOM 0 HB3 LYS A 81 6.183 7.733 -12.631 1.00 0.00 H new ATOM 0 HG2 LYS A 81 6.721 8.149 -15.256 1.00 0.00 H new ATOM 0 HG3 LYS A 81 5.570 6.837 -15.410 1.00 0.00 H new ATOM 0 HD2 LYS A 81 4.157 8.270 -13.674 1.00 0.00 H new ATOM 0 HD3 LYS A 81 5.164 9.587 -14.244 1.00 0.00 H new ATOM 0 HE2 LYS A 81 4.497 8.649 -16.644 1.00 0.00 H new ATOM 0 HE3 LYS A 81 3.156 7.936 -15.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 2.581 10.108 -16.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 2.562 10.138 -14.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 3.861 10.829 -15.786 1.00 0.00 H new ATOM 1219 N ASP A 82 8.418 9.112 -13.348 1.00 0.00 N ATOM 1220 CA ASP A 82 9.080 10.312 -12.850 1.00 0.00 C ATOM 1221 C ASP A 82 8.567 10.679 -11.461 1.00 0.00 C ATOM 1222 O ASP A 82 9.343 11.031 -10.574 1.00 0.00 O ATOM 1223 CB ASP A 82 8.859 11.479 -13.813 1.00 0.00 C ATOM 1224 CG ASP A 82 8.976 11.061 -15.266 1.00 0.00 C ATOM 1225 OD1 ASP A 82 10.114 10.831 -15.726 1.00 0.00 O ATOM 1226 OD2 ASP A 82 7.931 10.965 -15.942 1.00 0.00 O ATOM 0 H ASP A 82 7.760 9.278 -14.110 1.00 0.00 H new ATOM 0 HA ASP A 82 10.148 10.105 -12.781 1.00 0.00 H new ATOM 0 HB2 ASP A 82 7.872 11.907 -13.640 1.00 0.00 H new ATOM 0 HB3 ASP A 82 9.588 12.262 -13.603 1.00 0.00 H new ATOM 1231 N GLY A 83 7.252 10.594 -11.280 1.00 0.00 N ATOM 1232 CA GLY A 83 6.658 10.921 -9.997 1.00 0.00 C ATOM 1233 C GLY A 83 5.592 9.927 -9.581 1.00 0.00 C ATOM 1234 O GLY A 83 4.491 10.314 -9.190 1.00 0.00 O ATOM 0 H GLY A 83 6.588 10.305 -11.999 1.00 0.00 H new ATOM 0 HA2 GLY A 83 7.438 10.952 -9.236 1.00 0.00 H new ATOM 0 HA3 GLY A 83 6.221 11.918 -10.046 1.00 0.00 H new ATOM 1238 N SER A 84 5.919 8.641 -9.667 1.00 0.00 N ATOM 1239 CA SER A 84 4.979 7.588 -9.302 1.00 0.00 C ATOM 1240 C SER A 84 5.719 6.332 -8.853 1.00 0.00 C ATOM 1241 O SER A 84 6.729 5.948 -9.442 1.00 0.00 O ATOM 1242 CB SER A 84 4.063 7.260 -10.483 1.00 0.00 C ATOM 1243 OG SER A 84 3.087 8.270 -10.668 1.00 0.00 O ATOM 0 H SER A 84 6.827 8.304 -9.986 1.00 0.00 H new ATOM 0 HA SER A 84 4.372 7.948 -8.471 1.00 0.00 H new ATOM 0 HB2 SER A 84 4.658 7.155 -11.390 1.00 0.00 H new ATOM 0 HB3 SER A 84 3.572 6.302 -10.311 1.00 0.00 H new ATOM 0 HG SER A 84 3.305 9.043 -10.106 1.00 0.00 H new ATOM 1249 N PHE A 85 5.208 5.695 -7.804 1.00 0.00 N ATOM 1250 CA PHE A 85 5.819 4.482 -7.274 1.00 0.00 C ATOM 1251 C PHE A 85 4.892 3.283 -7.451 1.00 0.00 C ATOM 1252 O PHE A 85 3.674 3.402 -7.314 1.00 0.00 O ATOM 1253 CB PHE A 85 6.161 4.663 -5.794 1.00 0.00 C ATOM 1254 CG PHE A 85 7.199 5.719 -5.543 1.00 0.00 C ATOM 1255 CD1 PHE A 85 6.962 7.039 -5.894 1.00 0.00 C ATOM 1256 CD2 PHE A 85 8.410 5.393 -4.955 1.00 0.00 C ATOM 1257 CE1 PHE A 85 7.915 8.012 -5.665 1.00 0.00 C ATOM 1258 CE2 PHE A 85 9.368 6.363 -4.724 1.00 0.00 C ATOM 1259 CZ PHE A 85 9.119 7.675 -5.078 1.00 0.00 C ATOM 0 H PHE A 85 4.372 5.999 -7.304 1.00 0.00 H new ATOM 0 HA PHE A 85 6.737 4.294 -7.832 1.00 0.00 H new ATOM 0 HB2 PHE A 85 5.253 4.920 -5.248 1.00 0.00 H new ATOM 0 HB3 PHE A 85 6.516 3.714 -5.393 1.00 0.00 H new ATOM 0 HD1 PHE A 85 6.022 7.309 -6.352 1.00 0.00 H new ATOM 0 HD2 PHE A 85 8.608 4.369 -4.674 1.00 0.00 H new ATOM 0 HE1 PHE A 85 7.719 9.036 -5.945 1.00 0.00 H new ATOM 0 HE2 PHE A 85 10.309 6.095 -4.268 1.00 0.00 H new ATOM 0 HZ PHE A 85 9.864 8.435 -4.896 1.00 0.00 H new ATOM 1269 N ILE A 86 5.477 2.130 -7.755 1.00 0.00 N ATOM 1270 CA ILE A 86 4.704 0.909 -7.950 1.00 0.00 C ATOM 1271 C ILE A 86 4.930 -0.073 -6.806 1.00 0.00 C ATOM 1272 O ILE A 86 6.055 -0.251 -6.339 1.00 0.00 O ATOM 1273 CB ILE A 86 5.063 0.222 -9.281 1.00 0.00 C ATOM 1274 CG1 ILE A 86 4.064 -0.895 -9.589 1.00 0.00 C ATOM 1275 CG2 ILE A 86 6.481 -0.329 -9.226 1.00 0.00 C ATOM 1276 CD1 ILE A 86 2.823 -0.414 -10.308 1.00 0.00 C ATOM 0 H ILE A 86 6.484 2.015 -7.872 1.00 0.00 H new ATOM 0 HA ILE A 86 3.654 1.200 -7.973 1.00 0.00 H new ATOM 0 HB ILE A 86 5.011 0.961 -10.081 1.00 0.00 H new ATOM 0 HG12 ILE A 86 4.556 -1.654 -10.198 1.00 0.00 H new ATOM 0 HG13 ILE A 86 3.770 -1.376 -8.656 1.00 0.00 H new ATOM 0 HG21 ILE A 86 6.721 -0.812 -10.173 1.00 0.00 H new ATOM 0 HG22 ILE A 86 7.182 0.487 -9.047 1.00 0.00 H new ATOM 0 HG23 ILE A 86 6.557 -1.057 -8.418 1.00 0.00 H new ATOM 0 HD11 ILE A 86 2.160 -1.259 -10.494 1.00 0.00 H new ATOM 0 HD12 ILE A 86 2.308 0.323 -9.692 1.00 0.00 H new ATOM 0 HD13 ILE A 86 3.106 0.041 -11.257 1.00 0.00 H new ATOM 1288 N VAL A 87 3.852 -0.710 -6.359 1.00 0.00 N ATOM 1289 CA VAL A 87 3.932 -1.677 -5.271 1.00 0.00 C ATOM 1290 C VAL A 87 3.744 -3.100 -5.785 1.00 0.00 C ATOM 1291 O VAL A 87 2.651 -3.478 -6.210 1.00 0.00 O ATOM 1292 CB VAL A 87 2.877 -1.391 -4.186 1.00 0.00 C ATOM 1293 CG1 VAL A 87 2.957 -2.428 -3.076 1.00 0.00 C ATOM 1294 CG2 VAL A 87 3.054 0.013 -3.629 1.00 0.00 C ATOM 0 H VAL A 87 2.913 -0.574 -6.734 1.00 0.00 H new ATOM 0 HA VAL A 87 4.926 -1.580 -4.835 1.00 0.00 H new ATOM 0 HB VAL A 87 1.888 -1.456 -4.639 1.00 0.00 H new ATOM 0 HG11 VAL A 87 2.204 -2.209 -2.319 1.00 0.00 H new ATOM 0 HG12 VAL A 87 2.777 -3.420 -3.491 1.00 0.00 H new ATOM 0 HG13 VAL A 87 3.947 -2.399 -2.622 1.00 0.00 H new ATOM 0 HG21 VAL A 87 2.300 0.198 -2.864 1.00 0.00 H new ATOM 0 HG22 VAL A 87 4.047 0.108 -3.191 1.00 0.00 H new ATOM 0 HG23 VAL A 87 2.941 0.740 -4.433 1.00 0.00 H new ATOM 1304 N ARG A 88 4.815 -3.885 -5.744 1.00 0.00 N ATOM 1305 CA ARG A 88 4.767 -5.267 -6.207 1.00 0.00 C ATOM 1306 C ARG A 88 5.150 -6.229 -5.086 1.00 0.00 C ATOM 1307 O ARG A 88 6.100 -5.986 -4.342 1.00 0.00 O ATOM 1308 CB ARG A 88 5.705 -5.460 -7.401 1.00 0.00 C ATOM 1309 CG ARG A 88 7.161 -5.157 -7.087 1.00 0.00 C ATOM 1310 CD ARG A 88 8.000 -5.088 -8.353 1.00 0.00 C ATOM 1311 NE ARG A 88 8.521 -6.398 -8.736 1.00 0.00 N ATOM 1312 CZ ARG A 88 7.834 -7.282 -9.450 1.00 0.00 C ATOM 1313 NH1 ARG A 88 6.604 -6.998 -9.858 1.00 0.00 N ATOM 1314 NH2 ARG A 88 8.376 -8.453 -9.759 1.00 0.00 N ATOM 0 H ARG A 88 5.726 -3.588 -5.395 1.00 0.00 H new ATOM 0 HA ARG A 88 3.745 -5.485 -6.517 1.00 0.00 H new ATOM 0 HB2 ARG A 88 5.624 -6.488 -7.753 1.00 0.00 H new ATOM 0 HB3 ARG A 88 5.377 -4.817 -8.218 1.00 0.00 H new ATOM 0 HG2 ARG A 88 7.230 -4.210 -6.551 1.00 0.00 H new ATOM 0 HG3 ARG A 88 7.560 -5.927 -6.426 1.00 0.00 H new ATOM 0 HD2 ARG A 88 7.396 -4.686 -9.167 1.00 0.00 H new ATOM 0 HD3 ARG A 88 8.830 -4.398 -8.201 1.00 0.00 H new ATOM 0 HE ARG A 88 9.464 -6.647 -8.439 1.00 0.00 H new ATOM 0 HH11 ARG A 88 6.184 -6.099 -9.623 1.00 0.00 H new ATOM 0 HH12 ARG A 88 6.079 -7.679 -10.406 1.00 0.00 H new ATOM 0 HH21 ARG A 88 9.322 -8.675 -9.448 1.00 0.00 H new ATOM 0 HH22 ARG A 88 7.847 -9.131 -10.308 1.00 0.00 H new ATOM 1328 N TYR A 89 4.403 -7.322 -4.971 1.00 0.00 N ATOM 1329 CA TYR A 89 4.661 -8.319 -3.939 1.00 0.00 C ATOM 1330 C TYR A 89 4.590 -9.730 -4.515 1.00 0.00 C ATOM 1331 O TYR A 89 3.948 -9.962 -5.540 1.00 0.00 O ATOM 1332 CB TYR A 89 3.656 -8.172 -2.795 1.00 0.00 C ATOM 1333 CG TYR A 89 2.214 -8.272 -3.239 1.00 0.00 C ATOM 1334 CD1 TYR A 89 1.582 -9.505 -3.339 1.00 0.00 C ATOM 1335 CD2 TYR A 89 1.484 -7.134 -3.557 1.00 0.00 C ATOM 1336 CE1 TYR A 89 0.265 -9.602 -3.745 1.00 0.00 C ATOM 1337 CE2 TYR A 89 0.166 -7.220 -3.962 1.00 0.00 C ATOM 1338 CZ TYR A 89 -0.439 -8.456 -4.055 1.00 0.00 C ATOM 1339 OH TYR A 89 -1.751 -8.548 -4.458 1.00 0.00 O ATOM 0 H TYR A 89 3.614 -7.540 -5.580 1.00 0.00 H new ATOM 0 HA TYR A 89 5.667 -8.153 -3.553 1.00 0.00 H new ATOM 0 HB2 TYR A 89 3.852 -8.942 -2.049 1.00 0.00 H new ATOM 0 HB3 TYR A 89 3.811 -7.210 -2.308 1.00 0.00 H new ATOM 0 HD1 TYR A 89 2.130 -10.403 -3.095 1.00 0.00 H new ATOM 0 HD2 TYR A 89 1.955 -6.165 -3.486 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -0.211 -10.569 -3.819 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -0.387 -6.325 -4.204 1.00 0.00 H new ATOM 0 HH TYR A 89 -2.097 -9.440 -4.246 1.00 0.00 H new ATOM 1349 N ARG A 90 5.253 -10.668 -3.848 1.00 0.00 N ATOM 1350 CA ARG A 90 5.267 -12.057 -4.293 1.00 0.00 C ATOM 1351 C ARG A 90 4.524 -12.951 -3.304 1.00 0.00 C ATOM 1352 O ARG A 90 4.707 -12.839 -2.093 1.00 0.00 O ATOM 1353 CB ARG A 90 6.706 -12.547 -4.460 1.00 0.00 C ATOM 1354 CG ARG A 90 7.315 -12.202 -5.809 1.00 0.00 C ATOM 1355 CD ARG A 90 8.829 -12.337 -5.788 1.00 0.00 C ATOM 1356 NE ARG A 90 9.462 -11.574 -6.861 1.00 0.00 N ATOM 1357 CZ ARG A 90 9.574 -12.015 -8.109 1.00 0.00 C ATOM 1358 NH1 ARG A 90 9.098 -13.208 -8.439 1.00 0.00 N ATOM 1359 NH2 ARG A 90 10.163 -11.262 -9.029 1.00 0.00 N ATOM 0 H ARG A 90 5.788 -10.492 -2.997 1.00 0.00 H new ATOM 0 HA ARG A 90 4.760 -12.110 -5.256 1.00 0.00 H new ATOM 0 HB2 ARG A 90 7.322 -12.114 -3.672 1.00 0.00 H new ATOM 0 HB3 ARG A 90 6.730 -13.628 -4.326 1.00 0.00 H new ATOM 0 HG2 ARG A 90 6.901 -12.858 -6.575 1.00 0.00 H new ATOM 0 HG3 ARG A 90 7.043 -11.182 -6.082 1.00 0.00 H new ATOM 0 HD2 ARG A 90 9.210 -11.994 -4.826 1.00 0.00 H new ATOM 0 HD3 ARG A 90 9.100 -13.388 -5.882 1.00 0.00 H new ATOM 0 HE ARG A 90 9.839 -10.652 -6.640 1.00 0.00 H new ATOM 0 HH11 ARG A 90 8.645 -13.789 -7.734 1.00 0.00 H new ATOM 0 HH12 ARG A 90 9.185 -13.544 -9.398 1.00 0.00 H new ATOM 0 HH21 ARG A 90 10.530 -10.344 -8.778 1.00 0.00 H new ATOM 0 HH22 ARG A 90 10.249 -11.601 -9.987 1.00 0.00 H new ATOM 1373 N MET A 91 3.687 -13.839 -3.831 1.00 0.00 N ATOM 1374 CA MET A 91 2.918 -14.753 -2.995 1.00 0.00 C ATOM 1375 C MET A 91 2.546 -16.014 -3.768 1.00 0.00 C ATOM 1376 O MET A 91 1.911 -15.944 -4.821 1.00 0.00 O ATOM 1377 CB MET A 91 1.653 -14.065 -2.479 1.00 0.00 C ATOM 1378 CG MET A 91 1.127 -14.653 -1.180 1.00 0.00 C ATOM 1379 SD MET A 91 0.225 -13.448 -0.187 1.00 0.00 S ATOM 1380 CE MET A 91 -0.885 -14.520 0.721 1.00 0.00 C ATOM 0 H MET A 91 3.524 -13.945 -4.832 1.00 0.00 H new ATOM 0 HA MET A 91 3.539 -15.039 -2.146 1.00 0.00 H new ATOM 0 HB2 MET A 91 1.861 -13.005 -2.330 1.00 0.00 H new ATOM 0 HB3 MET A 91 0.876 -14.134 -3.240 1.00 0.00 H new ATOM 0 HG2 MET A 91 0.472 -15.495 -1.406 1.00 0.00 H new ATOM 0 HG3 MET A 91 1.962 -15.045 -0.599 1.00 0.00 H new ATOM 0 HE1 MET A 91 -1.511 -13.920 1.381 1.00 0.00 H new ATOM 0 HE2 MET A 91 -1.516 -15.067 0.021 1.00 0.00 H new ATOM 0 HE3 MET A 91 -0.304 -15.226 1.314 1.00 0.00 H new ATOM 1390 N TYR A 92 2.944 -17.166 -3.239 1.00 0.00 N ATOM 1391 CA TYR A 92 2.655 -18.442 -3.881 1.00 0.00 C ATOM 1392 C TYR A 92 1.559 -19.194 -3.131 1.00 0.00 C ATOM 1393 O TYR A 92 1.693 -20.382 -2.841 1.00 0.00 O ATOM 1394 CB TYR A 92 3.919 -19.300 -3.953 1.00 0.00 C ATOM 1395 CG TYR A 92 4.933 -18.801 -4.957 1.00 0.00 C ATOM 1396 CD1 TYR A 92 5.579 -17.584 -4.776 1.00 0.00 C ATOM 1397 CD2 TYR A 92 5.245 -19.546 -6.088 1.00 0.00 C ATOM 1398 CE1 TYR A 92 6.505 -17.123 -5.692 1.00 0.00 C ATOM 1399 CE2 TYR A 92 6.172 -19.094 -7.008 1.00 0.00 C ATOM 1400 CZ TYR A 92 6.799 -17.882 -6.805 1.00 0.00 C ATOM 1401 OH TYR A 92 7.721 -17.428 -7.720 1.00 0.00 O ATOM 0 H TYR A 92 3.468 -17.242 -2.367 1.00 0.00 H new ATOM 0 HA TYR A 92 2.304 -18.238 -4.893 1.00 0.00 H new ATOM 0 HB2 TYR A 92 4.382 -19.333 -2.967 1.00 0.00 H new ATOM 0 HB3 TYR A 92 3.640 -20.322 -4.208 1.00 0.00 H new ATOM 0 HD1 TYR A 92 5.353 -16.988 -3.904 1.00 0.00 H new ATOM 0 HD2 TYR A 92 4.755 -20.494 -6.251 1.00 0.00 H new ATOM 0 HE1 TYR A 92 6.996 -16.174 -5.537 1.00 0.00 H new ATOM 0 HE2 TYR A 92 6.404 -19.686 -7.881 1.00 0.00 H new ATOM 0 HH TYR A 92 7.813 -18.082 -8.444 1.00 0.00 H new ATOM 1411 N ALA A 93 0.475 -18.491 -2.821 1.00 0.00 N ATOM 1412 CA ALA A 93 -0.646 -19.090 -2.107 1.00 0.00 C ATOM 1413 C ALA A 93 -1.964 -18.436 -2.506 1.00 0.00 C ATOM 1414 O ALA A 93 -2.067 -17.211 -2.566 1.00 0.00 O ATOM 1415 CB ALA A 93 -0.434 -18.980 -0.604 1.00 0.00 C ATOM 0 H ALA A 93 0.349 -17.506 -3.053 1.00 0.00 H new ATOM 0 HA ALA A 93 -0.697 -20.144 -2.380 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -1.279 -19.431 -0.083 1.00 0.00 H new ATOM 0 HB2 ALA A 93 0.483 -19.500 -0.327 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -0.354 -17.930 -0.324 1.00 0.00 H new ATOM 1421 N SER A 94 -2.970 -19.262 -2.780 1.00 0.00 N ATOM 1422 CA SER A 94 -4.281 -18.763 -3.179 1.00 0.00 C ATOM 1423 C SER A 94 -4.986 -18.089 -2.005 1.00 0.00 C ATOM 1424 O SER A 94 -5.453 -18.756 -1.081 1.00 0.00 O ATOM 1425 CB SER A 94 -5.142 -19.907 -3.717 1.00 0.00 C ATOM 1426 OG SER A 94 -4.829 -20.188 -5.070 1.00 0.00 O ATOM 0 H SER A 94 -2.902 -20.279 -2.733 1.00 0.00 H new ATOM 0 HA SER A 94 -4.137 -18.024 -3.967 1.00 0.00 H new ATOM 0 HB2 SER A 94 -4.986 -20.800 -3.111 1.00 0.00 H new ATOM 0 HB3 SER A 94 -6.196 -19.644 -3.631 1.00 0.00 H new ATOM 0 HG SER A 94 -5.392 -20.924 -5.390 1.00 0.00 H new ATOM 1432 N TYR A 95 -5.058 -16.764 -2.049 1.00 0.00 N ATOM 1433 CA TYR A 95 -5.703 -15.998 -0.989 1.00 0.00 C ATOM 1434 C TYR A 95 -7.113 -15.584 -1.398 1.00 0.00 C ATOM 1435 O TYR A 95 -7.374 -15.288 -2.564 1.00 0.00 O ATOM 1436 CB TYR A 95 -4.874 -14.758 -0.650 1.00 0.00 C ATOM 1437 CG TYR A 95 -4.688 -13.816 -1.817 1.00 0.00 C ATOM 1438 CD1 TYR A 95 -5.736 -13.022 -2.268 1.00 0.00 C ATOM 1439 CD2 TYR A 95 -3.465 -13.719 -2.470 1.00 0.00 C ATOM 1440 CE1 TYR A 95 -5.571 -12.160 -3.335 1.00 0.00 C ATOM 1441 CE2 TYR A 95 -3.291 -12.859 -3.536 1.00 0.00 C ATOM 1442 CZ TYR A 95 -4.346 -12.082 -3.965 1.00 0.00 C ATOM 1443 OH TYR A 95 -4.177 -11.224 -5.029 1.00 0.00 O ATOM 0 H TYR A 95 -4.678 -16.198 -2.807 1.00 0.00 H new ATOM 0 HA TYR A 95 -5.771 -16.634 -0.106 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -5.357 -14.221 0.166 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -3.895 -15.073 -0.289 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -6.696 -13.080 -1.776 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -2.636 -14.327 -2.138 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -6.396 -11.551 -3.674 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -2.333 -12.795 -4.031 1.00 0.00 H new ATOM 0 HH TYR A 95 -3.220 -11.107 -5.206 1.00 0.00 H new ATOM 1453 N LYS A 96 -8.021 -15.565 -0.428 1.00 0.00 N ATOM 1454 CA LYS A 96 -9.406 -15.185 -0.683 1.00 0.00 C ATOM 1455 C LYS A 96 -9.638 -13.716 -0.346 1.00 0.00 C ATOM 1456 O LYS A 96 -10.124 -12.949 -1.177 1.00 0.00 O ATOM 1457 CB LYS A 96 -10.356 -16.063 0.136 1.00 0.00 C ATOM 1458 CG LYS A 96 -10.200 -17.548 -0.139 1.00 0.00 C ATOM 1459 CD LYS A 96 -11.029 -17.984 -1.335 1.00 0.00 C ATOM 1460 CE LYS A 96 -12.482 -18.220 -0.951 1.00 0.00 C ATOM 1461 NZ LYS A 96 -12.700 -19.596 -0.425 1.00 0.00 N ATOM 0 H LYS A 96 -7.823 -15.808 0.542 1.00 0.00 H new ATOM 0 HA LYS A 96 -9.608 -15.332 -1.744 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -10.185 -15.878 1.196 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -11.384 -15.769 -0.077 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -9.150 -17.777 -0.320 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -10.503 -18.116 0.741 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -10.976 -17.222 -2.113 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -10.610 -18.898 -1.756 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -12.781 -17.491 -0.198 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -13.118 -18.059 -1.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -13.702 -19.717 -0.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -12.438 -20.291 -1.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -12.112 -19.742 0.420 1.00 0.00 H new ATOM 1475 N ASN A 97 -9.287 -13.330 0.876 1.00 0.00 N ATOM 1476 CA ASN A 97 -9.456 -11.952 1.321 1.00 0.00 C ATOM 1477 C ASN A 97 -8.145 -11.389 1.861 1.00 0.00 C ATOM 1478 O ASN A 97 -7.327 -12.120 2.421 1.00 0.00 O ATOM 1479 CB ASN A 97 -10.540 -11.871 2.398 1.00 0.00 C ATOM 1480 CG ASN A 97 -10.567 -10.523 3.091 1.00 0.00 C ATOM 1481 OD1 ASN A 97 -10.257 -9.496 2.488 1.00 0.00 O ATOM 1482 ND2 ASN A 97 -10.939 -10.521 4.366 1.00 0.00 N ATOM 0 H ASN A 97 -8.884 -13.953 1.576 1.00 0.00 H new ATOM 0 HA ASN A 97 -9.761 -11.355 0.462 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -11.513 -12.063 1.946 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -10.372 -12.654 3.138 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -10.976 -9.644 4.885 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -11.188 -11.397 4.826 1.00 0.00 H new ATOM 1489 N LEU A 98 -7.952 -10.086 1.689 1.00 0.00 N ATOM 1490 CA LEU A 98 -6.740 -9.424 2.159 1.00 0.00 C ATOM 1491 C LEU A 98 -7.024 -7.975 2.541 1.00 0.00 C ATOM 1492 O LEU A 98 -8.021 -7.393 2.114 1.00 0.00 O ATOM 1493 CB LEU A 98 -5.656 -9.476 1.081 1.00 0.00 C ATOM 1494 CG LEU A 98 -4.930 -10.812 0.922 1.00 0.00 C ATOM 1495 CD1 LEU A 98 -4.186 -10.861 -0.404 1.00 0.00 C ATOM 1496 CD2 LEU A 98 -3.973 -11.041 2.082 1.00 0.00 C ATOM 0 H LEU A 98 -8.619 -9.467 1.228 1.00 0.00 H new ATOM 0 HA LEU A 98 -6.388 -9.952 3.045 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -6.110 -9.216 0.125 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -4.916 -8.707 1.301 1.00 0.00 H new ATOM 0 HG LEU A 98 -5.673 -11.610 0.928 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -3.675 -11.819 -0.499 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -4.895 -10.744 -1.224 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -3.454 -10.054 -0.440 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -3.465 -11.997 1.952 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -3.235 -10.239 2.109 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -4.532 -11.052 3.018 1.00 0.00 H new ATOM 1508 N LYS A 99 -6.140 -7.397 3.347 1.00 0.00 N ATOM 1509 CA LYS A 99 -6.293 -6.014 3.785 1.00 0.00 C ATOM 1510 C LYS A 99 -5.108 -5.166 3.333 1.00 0.00 C ATOM 1511 O LYS A 99 -3.959 -5.459 3.666 1.00 0.00 O ATOM 1512 CB LYS A 99 -6.427 -5.952 5.308 1.00 0.00 C ATOM 1513 CG LYS A 99 -6.858 -4.591 5.826 1.00 0.00 C ATOM 1514 CD LYS A 99 -6.485 -4.406 7.287 1.00 0.00 C ATOM 1515 CE LYS A 99 -7.167 -5.439 8.171 1.00 0.00 C ATOM 1516 NZ LYS A 99 -6.984 -5.138 9.618 1.00 0.00 N ATOM 0 H LYS A 99 -5.310 -7.865 3.711 1.00 0.00 H new ATOM 0 HA LYS A 99 -7.199 -5.613 3.330 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -7.151 -6.700 5.631 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -5.471 -6.217 5.759 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -6.390 -3.809 5.228 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -7.936 -4.481 5.708 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -5.404 -4.485 7.401 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -6.767 -3.404 7.612 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -8.231 -5.470 7.938 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -6.764 -6.428 7.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -7.463 -5.865 10.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -5.969 -5.133 9.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -7.391 -4.206 9.833 1.00 0.00 H new ATOM 1530 N VAL A 100 -5.395 -4.114 2.574 1.00 0.00 N ATOM 1531 CA VAL A 100 -4.353 -3.222 2.079 1.00 0.00 C ATOM 1532 C VAL A 100 -4.151 -2.038 3.018 1.00 0.00 C ATOM 1533 O VAL A 100 -5.113 -1.482 3.548 1.00 0.00 O ATOM 1534 CB VAL A 100 -4.688 -2.694 0.671 1.00 0.00 C ATOM 1535 CG1 VAL A 100 -3.511 -1.922 0.096 1.00 0.00 C ATOM 1536 CG2 VAL A 100 -5.084 -3.841 -0.247 1.00 0.00 C ATOM 0 H VAL A 100 -6.340 -3.858 2.288 1.00 0.00 H new ATOM 0 HA VAL A 100 -3.434 -3.806 2.031 1.00 0.00 H new ATOM 0 HB VAL A 100 -5.535 -2.012 0.749 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -3.766 -1.557 -0.899 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -3.279 -1.077 0.744 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -2.643 -2.578 0.030 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -5.317 -3.450 -1.237 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -4.259 -4.549 -0.321 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -5.960 -4.346 0.159 1.00 0.00 H new ATOM 1546 N GLU A 101 -2.893 -1.657 3.220 1.00 0.00 N ATOM 1547 CA GLU A 101 -2.566 -0.539 4.096 1.00 0.00 C ATOM 1548 C GLU A 101 -1.438 0.303 3.506 1.00 0.00 C ATOM 1549 O GLU A 101 -0.458 -0.231 2.986 1.00 0.00 O ATOM 1550 CB GLU A 101 -2.164 -1.049 5.482 1.00 0.00 C ATOM 1551 CG GLU A 101 -3.347 -1.409 6.364 1.00 0.00 C ATOM 1552 CD GLU A 101 -2.928 -2.090 7.653 1.00 0.00 C ATOM 1553 OE1 GLU A 101 -2.332 -3.185 7.578 1.00 0.00 O ATOM 1554 OE2 GLU A 101 -3.196 -1.529 8.736 1.00 0.00 O ATOM 0 H GLU A 101 -2.085 -2.106 2.789 1.00 0.00 H new ATOM 0 HA GLU A 101 -3.453 0.087 4.190 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -1.527 -1.926 5.367 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -1.568 -0.286 5.982 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -3.907 -0.505 6.601 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -4.020 -2.066 5.813 1.00 0.00 H new ATOM 1561 N ILE A 102 -1.586 1.621 3.589 1.00 0.00 N ATOM 1562 CA ILE A 102 -0.581 2.537 3.064 1.00 0.00 C ATOM 1563 C ILE A 102 -0.491 3.800 3.913 1.00 0.00 C ATOM 1564 O ILE A 102 -1.385 4.647 3.883 1.00 0.00 O ATOM 1565 CB ILE A 102 -0.886 2.931 1.607 1.00 0.00 C ATOM 1566 CG1 ILE A 102 -1.033 1.681 0.737 1.00 0.00 C ATOM 1567 CG2 ILE A 102 0.210 3.835 1.062 1.00 0.00 C ATOM 1568 CD1 ILE A 102 -2.420 1.078 0.776 1.00 0.00 C ATOM 0 H ILE A 102 -2.392 2.078 4.015 1.00 0.00 H new ATOM 0 HA ILE A 102 0.374 2.012 3.098 1.00 0.00 H new ATOM 0 HB ILE A 102 -1.828 3.479 1.585 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -0.784 1.934 -0.294 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -0.311 0.933 1.065 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -0.020 4.105 0.031 1.00 0.00 H new ATOM 0 HG22 ILE A 102 0.272 4.739 1.669 1.00 0.00 H new ATOM 0 HG23 ILE A 102 1.165 3.310 1.095 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -2.451 0.196 0.137 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -2.664 0.793 1.799 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -3.145 1.810 0.420 1.00 0.00 H new ATOM 1580 N LYS A 103 0.595 3.923 4.669 1.00 0.00 N ATOM 1581 CA LYS A 103 0.805 5.084 5.524 1.00 0.00 C ATOM 1582 C LYS A 103 2.092 5.811 5.149 1.00 0.00 C ATOM 1583 O LYS A 103 2.871 5.330 4.326 1.00 0.00 O ATOM 1584 CB LYS A 103 0.857 4.659 6.993 1.00 0.00 C ATOM 1585 CG LYS A 103 -0.214 3.650 7.372 1.00 0.00 C ATOM 1586 CD LYS A 103 0.190 2.237 6.985 1.00 0.00 C ATOM 1587 CE LYS A 103 -0.445 1.205 7.904 1.00 0.00 C ATOM 1588 NZ LYS A 103 -0.087 1.438 9.331 1.00 0.00 N ATOM 0 H LYS A 103 1.344 3.231 4.706 1.00 0.00 H new ATOM 0 HA LYS A 103 -0.033 5.766 5.379 1.00 0.00 H new ATOM 0 HB2 LYS A 103 1.838 4.233 7.205 1.00 0.00 H new ATOM 0 HB3 LYS A 103 0.751 5.543 7.622 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -0.395 3.696 8.446 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -1.151 3.910 6.879 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -0.108 2.041 5.955 1.00 0.00 H new ATOM 0 HD3 LYS A 103 1.275 2.144 7.026 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -1.529 1.237 7.792 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -0.123 0.207 7.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -0.091 0.532 9.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 0.861 1.863 9.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -0.781 2.082 9.762 1.00 0.00 H new ATOM 1602 N PHE A 104 2.310 6.972 5.758 1.00 0.00 N ATOM 1603 CA PHE A 104 3.504 7.764 5.488 1.00 0.00 C ATOM 1604 C PHE A 104 3.948 8.522 6.736 1.00 0.00 C ATOM 1605 O PHE A 104 3.205 9.342 7.273 1.00 0.00 O ATOM 1606 CB PHE A 104 3.241 8.749 4.347 1.00 0.00 C ATOM 1607 CG PHE A 104 4.315 9.788 4.191 1.00 0.00 C ATOM 1608 CD1 PHE A 104 5.653 9.431 4.232 1.00 0.00 C ATOM 1609 CD2 PHE A 104 3.986 11.121 4.005 1.00 0.00 C ATOM 1610 CE1 PHE A 104 6.644 10.384 4.088 1.00 0.00 C ATOM 1611 CE2 PHE A 104 4.973 12.078 3.861 1.00 0.00 C ATOM 1612 CZ PHE A 104 6.303 11.709 3.904 1.00 0.00 C ATOM 0 H PHE A 104 1.676 7.385 6.442 1.00 0.00 H new ATOM 0 HA PHE A 104 4.303 7.083 5.195 1.00 0.00 H new ATOM 0 HB2 PHE A 104 3.145 8.194 3.414 1.00 0.00 H new ATOM 0 HB3 PHE A 104 2.287 9.247 4.521 1.00 0.00 H new ATOM 0 HD1 PHE A 104 5.925 8.396 4.378 1.00 0.00 H new ATOM 0 HD2 PHE A 104 2.947 11.415 3.972 1.00 0.00 H new ATOM 0 HE1 PHE A 104 7.683 10.092 4.119 1.00 0.00 H new ATOM 0 HE2 PHE A 104 4.704 13.114 3.715 1.00 0.00 H new ATOM 0 HZ PHE A 104 7.075 12.456 3.794 1.00 0.00 H new ATOM 1622 N GLN A 105 5.165 8.239 7.191 1.00 0.00 N ATOM 1623 CA GLN A 105 5.707 8.892 8.376 1.00 0.00 C ATOM 1624 C GLN A 105 4.663 8.962 9.485 1.00 0.00 C ATOM 1625 O GLN A 105 4.479 10.004 10.113 1.00 0.00 O ATOM 1626 CB GLN A 105 6.197 10.299 8.030 1.00 0.00 C ATOM 1627 CG GLN A 105 5.142 11.161 7.354 1.00 0.00 C ATOM 1628 CD GLN A 105 5.608 12.586 7.132 1.00 0.00 C ATOM 1629 OE1 GLN A 105 6.799 12.884 7.227 1.00 0.00 O ATOM 1630 NE2 GLN A 105 4.669 13.477 6.834 1.00 0.00 N ATOM 0 H GLN A 105 5.793 7.563 6.757 1.00 0.00 H new ATOM 0 HA GLN A 105 6.549 8.300 8.733 1.00 0.00 H new ATOM 0 HB2 GLN A 105 6.529 10.794 8.943 1.00 0.00 H new ATOM 0 HB3 GLN A 105 7.065 10.222 7.376 1.00 0.00 H new ATOM 0 HG2 GLN A 105 4.875 10.717 6.395 1.00 0.00 H new ATOM 0 HG3 GLN A 105 4.239 11.169 7.964 1.00 0.00 H new ATOM 0 HE21 GLN A 105 3.694 13.186 6.765 1.00 0.00 H new ATOM 0 HE22 GLN A 105 4.923 14.452 6.674 1.00 0.00 H new ATOM 1639 N GLY A 106 3.980 7.846 9.721 1.00 0.00 N ATOM 1640 CA GLY A 106 2.962 7.803 10.754 1.00 0.00 C ATOM 1641 C GLY A 106 1.724 8.593 10.381 1.00 0.00 C ATOM 1642 O GLY A 106 1.017 9.099 11.252 1.00 0.00 O ATOM 0 H GLY A 106 4.114 6.971 9.215 1.00 0.00 H new ATOM 0 HA2 GLY A 106 2.684 6.766 10.943 1.00 0.00 H new ATOM 0 HA3 GLY A 106 3.374 8.197 11.683 1.00 0.00 H new ATOM 1646 N GLN A 107 1.461 8.701 9.082 1.00 0.00 N ATOM 1647 CA GLN A 107 0.301 9.438 8.597 1.00 0.00 C ATOM 1648 C GLN A 107 -0.313 8.748 7.383 1.00 0.00 C ATOM 1649 O GLN A 107 0.318 8.642 6.331 1.00 0.00 O ATOM 1650 CB GLN A 107 0.694 10.872 8.238 1.00 0.00 C ATOM 1651 CG GLN A 107 1.102 11.710 9.439 1.00 0.00 C ATOM 1652 CD GLN A 107 1.918 12.927 9.052 1.00 0.00 C ATOM 1653 OE1 GLN A 107 1.418 13.842 8.396 1.00 0.00 O ATOM 1654 NE2 GLN A 107 3.183 12.946 9.457 1.00 0.00 N ATOM 0 H GLN A 107 2.036 8.288 8.348 1.00 0.00 H new ATOM 0 HA GLN A 107 -0.442 9.461 9.394 1.00 0.00 H new ATOM 0 HB2 GLN A 107 1.519 10.846 7.526 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -0.145 11.355 7.737 1.00 0.00 H new ATOM 0 HG2 GLN A 107 0.208 12.032 9.973 1.00 0.00 H new ATOM 0 HG3 GLN A 107 1.680 11.094 10.128 1.00 0.00 H new ATOM 0 HE21 GLN A 107 3.557 12.167 9.999 1.00 0.00 H new ATOM 0 HE22 GLN A 107 3.780 13.740 9.226 1.00 0.00 H new ATOM 1663 N HIS A 108 -1.548 8.281 7.536 1.00 0.00 N ATOM 1664 CA HIS A 108 -2.248 7.601 6.452 1.00 0.00 C ATOM 1665 C HIS A 108 -2.311 8.483 5.209 1.00 0.00 C ATOM 1666 O HIS A 108 -2.494 9.696 5.304 1.00 0.00 O ATOM 1667 CB HIS A 108 -3.662 7.217 6.891 1.00 0.00 C ATOM 1668 CG HIS A 108 -3.712 5.979 7.732 1.00 0.00 C ATOM 1669 ND1 HIS A 108 -3.716 4.707 7.200 1.00 0.00 N ATOM 1670 CD2 HIS A 108 -3.758 5.823 9.076 1.00 0.00 C ATOM 1671 CE1 HIS A 108 -3.764 3.822 8.180 1.00 0.00 C ATOM 1672 NE2 HIS A 108 -3.790 4.473 9.328 1.00 0.00 N ATOM 0 H HIS A 108 -2.085 8.361 8.400 1.00 0.00 H new ATOM 0 HA HIS A 108 -1.693 6.695 6.206 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -4.097 8.045 7.451 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -4.281 7.071 6.006 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -3.768 6.613 9.813 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -3.779 2.749 8.062 1.00 0.00 H new ATOM 0 HE2 HIS A 108 -3.828 4.043 10.252 1.00 0.00 H new ATOM 1681 N VAL A 109 -2.158 7.864 4.042 1.00 0.00 N ATOM 1682 CA VAL A 109 -2.197 8.593 2.779 1.00 0.00 C ATOM 1683 C VAL A 109 -3.539 8.408 2.080 1.00 0.00 C ATOM 1684 O VAL A 109 -3.959 9.250 1.287 1.00 0.00 O ATOM 1685 CB VAL A 109 -1.071 8.137 1.833 1.00 0.00 C ATOM 1686 CG1 VAL A 109 -1.177 8.851 0.494 1.00 0.00 C ATOM 1687 CG2 VAL A 109 0.289 8.379 2.470 1.00 0.00 C ATOM 0 H VAL A 109 -2.006 6.860 3.945 1.00 0.00 H new ATOM 0 HA VAL A 109 -2.056 9.647 3.017 1.00 0.00 H new ATOM 0 HB VAL A 109 -1.179 7.067 1.656 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -0.373 8.516 -0.162 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -2.139 8.622 0.035 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -1.095 9.927 0.648 1.00 0.00 H new ATOM 0 HG21 VAL A 109 1.074 8.051 1.788 1.00 0.00 H new ATOM 0 HG22 VAL A 109 0.410 9.442 2.678 1.00 0.00 H new ATOM 0 HG23 VAL A 109 0.360 7.817 3.401 1.00 0.00 H new ATOM 1697 N ALA A 110 -4.209 7.299 2.380 1.00 0.00 N ATOM 1698 CA ALA A 110 -5.505 7.004 1.782 1.00 0.00 C ATOM 1699 C ALA A 110 -6.531 6.639 2.849 1.00 0.00 C ATOM 1700 O ALA A 110 -6.253 6.719 4.046 1.00 0.00 O ATOM 1701 CB ALA A 110 -5.374 5.879 0.766 1.00 0.00 C ATOM 0 H ALA A 110 -3.875 6.591 3.034 1.00 0.00 H new ATOM 0 HA ALA A 110 -5.854 7.901 1.271 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -6.350 5.669 0.327 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -4.680 6.177 -0.019 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -4.999 4.983 1.261 1.00 0.00 H new ATOM 1707 N LYS A 111 -7.719 6.240 2.409 1.00 0.00 N ATOM 1708 CA LYS A 111 -8.788 5.861 3.325 1.00 0.00 C ATOM 1709 C LYS A 111 -8.358 4.698 4.213 1.00 0.00 C ATOM 1710 O LYS A 111 -9.044 4.351 5.174 1.00 0.00 O ATOM 1711 CB LYS A 111 -10.048 5.482 2.543 1.00 0.00 C ATOM 1712 CG LYS A 111 -10.901 4.433 3.236 1.00 0.00 C ATOM 1713 CD LYS A 111 -11.507 4.969 4.523 1.00 0.00 C ATOM 1714 CE LYS A 111 -12.822 5.687 4.264 1.00 0.00 C ATOM 1715 NZ LYS A 111 -13.259 6.487 5.441 1.00 0.00 N ATOM 0 H LYS A 111 -7.966 6.171 1.422 1.00 0.00 H new ATOM 0 HA LYS A 111 -9.007 6.718 3.961 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -10.648 6.377 2.381 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -9.758 5.111 1.560 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -11.697 4.109 2.565 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -10.293 3.556 3.457 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -11.672 4.146 5.219 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -10.805 5.654 4.999 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -12.714 6.342 3.400 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -13.592 4.956 4.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -14.159 6.961 5.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -13.387 5.859 6.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -12.536 7.201 5.663 1.00 0.00 H new ATOM 1729 N SER A 112 -7.217 4.100 3.885 1.00 0.00 N ATOM 1730 CA SER A 112 -6.696 2.974 4.651 1.00 0.00 C ATOM 1731 C SER A 112 -7.014 3.133 6.135 1.00 0.00 C ATOM 1732 O SER A 112 -7.160 4.242 6.649 1.00 0.00 O ATOM 1733 CB SER A 112 -5.185 2.849 4.452 1.00 0.00 C ATOM 1734 OG SER A 112 -4.559 2.324 5.610 1.00 0.00 O ATOM 0 H SER A 112 -6.636 4.377 3.094 1.00 0.00 H new ATOM 0 HA SER A 112 -7.179 2.066 4.289 1.00 0.00 H new ATOM 0 HB2 SER A 112 -4.980 2.202 3.599 1.00 0.00 H new ATOM 0 HB3 SER A 112 -4.764 3.827 4.219 1.00 0.00 H new ATOM 0 HG SER A 112 -3.604 2.543 5.593 1.00 0.00 H new ATOM 1740 N PRO A 113 -7.124 1.998 6.840 1.00 0.00 N ATOM 1741 CA PRO A 113 -6.953 0.672 6.239 1.00 0.00 C ATOM 1742 C PRO A 113 -8.096 0.311 5.295 1.00 0.00 C ATOM 1743 O PRO A 113 -9.254 0.640 5.553 1.00 0.00 O ATOM 1744 CB PRO A 113 -6.941 -0.267 7.447 1.00 0.00 C ATOM 1745 CG PRO A 113 -7.705 0.460 8.500 1.00 0.00 C ATOM 1746 CD PRO A 113 -7.425 1.921 8.280 1.00 0.00 C ATOM 0 HA PRO A 113 -6.052 0.615 5.629 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -7.407 -1.224 7.209 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -5.923 -0.480 7.773 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -8.772 0.251 8.422 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -7.391 0.148 9.496 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -8.283 2.539 8.545 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -6.586 2.265 8.885 1.00 0.00 H new ATOM 1754 N TYR A 114 -7.763 -0.366 4.202 1.00 0.00 N ATOM 1755 CA TYR A 114 -8.761 -0.770 3.219 1.00 0.00 C ATOM 1756 C TYR A 114 -9.273 -2.177 3.509 1.00 0.00 C ATOM 1757 O TYR A 114 -8.502 -3.137 3.534 1.00 0.00 O ATOM 1758 CB TYR A 114 -8.173 -0.709 1.809 1.00 0.00 C ATOM 1759 CG TYR A 114 -8.158 0.683 1.218 1.00 0.00 C ATOM 1760 CD1 TYR A 114 -9.332 1.416 1.089 1.00 0.00 C ATOM 1761 CD2 TYR A 114 -6.972 1.264 0.788 1.00 0.00 C ATOM 1762 CE1 TYR A 114 -9.324 2.687 0.549 1.00 0.00 C ATOM 1763 CE2 TYR A 114 -6.955 2.535 0.248 1.00 0.00 C ATOM 1764 CZ TYR A 114 -8.133 3.243 0.130 1.00 0.00 C ATOM 1765 OH TYR A 114 -8.120 4.509 -0.408 1.00 0.00 O ATOM 0 H TYR A 114 -6.809 -0.647 3.974 1.00 0.00 H new ATOM 0 HA TYR A 114 -9.600 -0.077 3.285 1.00 0.00 H new ATOM 0 HB2 TYR A 114 -7.154 -1.096 1.832 1.00 0.00 H new ATOM 0 HB3 TYR A 114 -8.748 -1.366 1.156 1.00 0.00 H new ATOM 0 HD1 TYR A 114 -10.266 0.984 1.417 1.00 0.00 H new ATOM 0 HD2 TYR A 114 -6.048 0.713 0.877 1.00 0.00 H new ATOM 0 HE1 TYR A 114 -10.245 3.243 0.455 1.00 0.00 H new ATOM 0 HE2 TYR A 114 -6.024 2.973 -0.080 1.00 0.00 H new ATOM 0 HH TYR A 114 -9.034 4.774 -0.643 1.00 0.00 H new ATOM 1775 N ILE A 115 -10.579 -2.292 3.726 1.00 0.00 N ATOM 1776 CA ILE A 115 -11.195 -3.582 4.012 1.00 0.00 C ATOM 1777 C ILE A 115 -12.017 -4.073 2.825 1.00 0.00 C ATOM 1778 O ILE A 115 -13.138 -3.615 2.600 1.00 0.00 O ATOM 1779 CB ILE A 115 -12.101 -3.509 5.255 1.00 0.00 C ATOM 1780 CG1 ILE A 115 -11.333 -2.920 6.440 1.00 0.00 C ATOM 1781 CG2 ILE A 115 -12.639 -4.890 5.600 1.00 0.00 C ATOM 1782 CD1 ILE A 115 -10.184 -3.787 6.906 1.00 0.00 C ATOM 0 H ILE A 115 -11.231 -1.508 3.709 1.00 0.00 H new ATOM 0 HA ILE A 115 -10.384 -4.284 4.205 1.00 0.00 H new ATOM 0 HB ILE A 115 -12.945 -2.856 5.033 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -10.948 -1.939 6.162 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -12.023 -2.768 7.270 1.00 0.00 H new ATOM 0 HG21 ILE A 115 -13.278 -4.822 6.481 1.00 0.00 H new ATOM 0 HG22 ILE A 115 -13.218 -5.275 4.761 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -11.807 -5.564 5.806 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -9.685 -3.308 7.748 1.00 0.00 H new ATOM 0 HD12 ILE A 115 -10.565 -4.760 7.216 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -9.473 -3.919 6.090 1.00 0.00 H new ATOM 1794 N LEU A 116 -11.454 -5.010 2.071 1.00 0.00 N ATOM 1795 CA LEU A 116 -12.136 -5.567 0.907 1.00 0.00 C ATOM 1796 C LEU A 116 -12.137 -7.092 0.955 1.00 0.00 C ATOM 1797 O LEU A 116 -11.089 -7.728 0.841 1.00 0.00 O ATOM 1798 CB LEU A 116 -11.464 -5.086 -0.380 1.00 0.00 C ATOM 1799 CG LEU A 116 -11.474 -3.576 -0.619 1.00 0.00 C ATOM 1800 CD1 LEU A 116 -10.278 -2.921 0.054 1.00 0.00 C ATOM 1801 CD2 LEU A 116 -11.482 -3.271 -2.110 1.00 0.00 C ATOM 0 H LEU A 116 -10.528 -5.400 2.244 1.00 0.00 H new ATOM 0 HA LEU A 116 -13.169 -5.221 0.921 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -10.428 -5.426 -0.374 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -11.954 -5.571 -1.225 1.00 0.00 H new ATOM 0 HG LEU A 116 -12.383 -3.165 -0.180 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -10.302 -1.846 -0.127 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -10.316 -3.109 1.127 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -9.357 -3.337 -0.355 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -11.489 -2.191 -2.261 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -10.592 -3.696 -2.573 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -12.371 -3.707 -2.566 1.00 0.00 H new ATOM 1813 N LYS A 117 -13.321 -7.672 1.121 1.00 0.00 N ATOM 1814 CA LYS A 117 -13.461 -9.122 1.180 1.00 0.00 C ATOM 1815 C LYS A 117 -14.177 -9.650 -0.059 1.00 0.00 C ATOM 1816 O LYS A 117 -14.747 -8.883 -0.833 1.00 0.00 O ATOM 1817 CB LYS A 117 -14.229 -9.530 2.439 1.00 0.00 C ATOM 1818 CG LYS A 117 -15.570 -8.832 2.586 1.00 0.00 C ATOM 1819 CD LYS A 117 -15.442 -7.540 3.375 1.00 0.00 C ATOM 1820 CE LYS A 117 -16.558 -6.565 3.033 1.00 0.00 C ATOM 1821 NZ LYS A 117 -16.496 -5.334 3.869 1.00 0.00 N ATOM 0 H LYS A 117 -14.198 -7.160 1.217 1.00 0.00 H new ATOM 0 HA LYS A 117 -12.462 -9.558 1.214 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -14.390 -10.608 2.423 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -13.617 -9.312 3.314 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -15.980 -8.618 1.599 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -16.274 -9.497 3.086 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -15.464 -7.760 4.442 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -14.477 -7.078 3.165 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -16.492 -6.292 1.980 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -17.522 -7.053 3.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -17.273 -4.696 3.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -16.585 -5.591 4.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -15.586 -4.854 3.714 1.00 0.00 H new ATOM 1835 N GLY A 118 -14.143 -10.967 -0.240 1.00 0.00 N ATOM 1836 CA GLY A 118 -14.793 -11.575 -1.386 1.00 0.00 C ATOM 1837 C GLY A 118 -14.768 -13.090 -1.332 1.00 0.00 C ATOM 1838 O GLY A 118 -14.509 -13.750 -2.338 1.00 0.00 O ATOM 0 H GLY A 118 -13.677 -11.623 0.387 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -15.827 -11.234 -1.437 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -14.301 -11.239 -2.299 1.00 0.00 H new ATOM 1842 N SER A 119 -15.035 -13.643 -0.153 1.00 0.00 N ATOM 1843 CA SER A 119 -15.036 -15.089 0.030 1.00 0.00 C ATOM 1844 C SER A 119 -15.865 -15.774 -1.052 1.00 0.00 C ATOM 1845 O SER A 119 -17.092 -15.821 -0.974 1.00 0.00 O ATOM 1846 CB SER A 119 -15.585 -15.449 1.412 1.00 0.00 C ATOM 1847 OG SER A 119 -16.847 -14.843 1.634 1.00 0.00 O ATOM 0 H SER A 119 -15.253 -13.111 0.690 1.00 0.00 H new ATOM 0 HA SER A 119 -14.007 -15.440 -0.048 1.00 0.00 H new ATOM 0 HB2 SER A 119 -15.678 -16.532 1.499 1.00 0.00 H new ATOM 0 HB3 SER A 119 -14.883 -15.126 2.181 1.00 0.00 H new ATOM 0 HG SER A 119 -17.392 -14.917 0.823 1.00 0.00 H new ATOM 1853 N GLY A 120 -15.184 -16.304 -2.064 1.00 0.00 N ATOM 1854 CA GLY A 120 -15.872 -16.978 -3.149 1.00 0.00 C ATOM 1855 C GLY A 120 -16.169 -16.052 -4.312 1.00 0.00 C ATOM 1856 O GLY A 120 -16.053 -14.831 -4.206 1.00 0.00 O ATOM 0 H GLY A 120 -14.168 -16.278 -2.151 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -15.263 -17.812 -3.499 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -16.806 -17.399 -2.777 1.00 0.00 H new ATOM 1860 N PRO A 121 -16.562 -16.637 -5.453 1.00 0.00 N ATOM 1861 CA PRO A 121 -16.884 -15.874 -6.663 1.00 0.00 C ATOM 1862 C PRO A 121 -18.172 -15.071 -6.516 1.00 0.00 C ATOM 1863 O PRO A 121 -18.588 -14.372 -7.441 1.00 0.00 O ATOM 1864 CB PRO A 121 -17.049 -16.957 -7.732 1.00 0.00 C ATOM 1865 CG PRO A 121 -17.430 -18.182 -6.974 1.00 0.00 C ATOM 1866 CD PRO A 121 -16.723 -18.087 -5.651 1.00 0.00 C ATOM 0 HA PRO A 121 -16.115 -15.138 -6.897 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -17.817 -16.685 -8.456 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -16.124 -17.108 -8.289 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -18.510 -18.236 -6.836 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -17.132 -19.082 -7.512 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -17.307 -18.539 -4.850 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -15.761 -18.599 -5.672 1.00 0.00 H new ATOM 1874 N SER A 122 -18.799 -15.174 -5.349 1.00 0.00 N ATOM 1875 CA SER A 122 -20.042 -14.460 -5.082 1.00 0.00 C ATOM 1876 C SER A 122 -20.037 -13.092 -5.758 1.00 0.00 C ATOM 1877 O SER A 122 -20.983 -12.730 -6.458 1.00 0.00 O ATOM 1878 CB SER A 122 -20.248 -14.296 -3.575 1.00 0.00 C ATOM 1879 OG SER A 122 -20.637 -15.521 -2.978 1.00 0.00 O ATOM 0 H SER A 122 -18.466 -15.746 -4.572 1.00 0.00 H new ATOM 0 HA SER A 122 -20.865 -15.046 -5.491 1.00 0.00 H new ATOM 0 HB2 SER A 122 -19.326 -13.940 -3.115 1.00 0.00 H new ATOM 0 HB3 SER A 122 -21.010 -13.539 -3.389 1.00 0.00 H new ATOM 0 HG SER A 122 -20.761 -15.391 -2.015 1.00 0.00 H new ATOM 1885 N SER A 123 -18.966 -12.336 -5.542 1.00 0.00 N ATOM 1886 CA SER A 123 -18.839 -11.006 -6.126 1.00 0.00 C ATOM 1887 C SER A 123 -19.134 -11.039 -7.623 1.00 0.00 C ATOM 1888 O SER A 123 -18.592 -11.865 -8.356 1.00 0.00 O ATOM 1889 CB SER A 123 -17.433 -10.452 -5.885 1.00 0.00 C ATOM 1890 OG SER A 123 -17.322 -9.889 -4.589 1.00 0.00 O ATOM 0 H SER A 123 -18.173 -12.622 -4.967 1.00 0.00 H new ATOM 0 HA SER A 123 -19.567 -10.354 -5.644 1.00 0.00 H new ATOM 0 HB2 SER A 123 -16.699 -11.250 -6.003 1.00 0.00 H new ATOM 0 HB3 SER A 123 -17.204 -9.695 -6.635 1.00 0.00 H new ATOM 0 HG SER A 123 -16.414 -9.544 -4.459 1.00 0.00 H new ATOM 1896 N GLY A 124 -19.999 -10.134 -8.069 1.00 0.00 N ATOM 1897 CA GLY A 124 -20.353 -10.076 -9.475 1.00 0.00 C ATOM 1898 C GLY A 124 -21.675 -9.373 -9.712 1.00 0.00 C ATOM 1899 O GLY A 124 -22.706 -9.778 -9.174 1.00 0.00 O ATOM 0 H GLY A 124 -20.461 -9.440 -7.482 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -19.566 -9.558 -10.023 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -20.407 -11.089 -9.875 1.00 0.00 H new TER 1903 GLY A 124