USER MOD reduce.3.24.130724 H: found=0, std=0, add=649, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 647 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 25 THR OG1 : rot 180:sc= -0.546 USER MOD Set 1.2: A 28 GLN : amide:sc= -1.03 K(o=-1.6,f=-7.4!) USER MOD Single : A 1 GLY N :NH3+ -132:sc= 0.0927 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.00404 USER MOD Single : A 3 SER OG : rot 180:sc= -0.127 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 9:sc= 0.396 USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.275 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 144:sc= -0.378 (180deg=-1.95!) USER MOD Single : A 16 LYS NZ :NH3+ -108:sc= -1.1 (180deg=-3.51!) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 31:sc= 0.181 USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ -133:sc= -0.22 (180deg=-1.47!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= 0.39 K(o=0.39,f=-2.2!) USER MOD Single : A 40 LYS NZ :NH3+ 148:sc= 0.0139 (180deg=-0.229) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -0.855 X(o=-0.86,f=-0.64) USER MOD Single : A 60 GLN : amide:sc= -2.87 K(o=-2.9,f=-6.2!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot -2:sc= -1.86 USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 ASN : amide:sc= -0.672 K(o=-0.67,f=-3.7!) USER MOD Single : A 70 MET CE :methyl -129:sc= -0.0325 (180deg=-2.09!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0404) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.946 -4.973 30.598 1.00 0.00 N ATOM 2 CA GLY A 1 -6.011 -5.859 29.450 1.00 0.00 C ATOM 3 C GLY A 1 -6.990 -5.375 28.399 1.00 0.00 C ATOM 4 O GLY A 1 -7.536 -4.278 28.508 1.00 0.00 O ATOM 0 H1 GLY A 1 -4.951 -4.775 30.828 1.00 0.00 H new ATOM 0 H2 GLY A 1 -6.434 -4.082 30.377 1.00 0.00 H new ATOM 0 H3 GLY A 1 -6.406 -5.427 31.413 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -5.019 -5.946 29.006 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -6.301 -6.856 29.781 1.00 0.00 H new ATOM 8 N SER A 2 -7.211 -6.195 27.376 1.00 0.00 N ATOM 9 CA SER A 2 -8.126 -5.842 26.298 1.00 0.00 C ATOM 10 C SER A 2 -9.447 -6.592 26.440 1.00 0.00 C ATOM 11 O SER A 2 -10.509 -6.072 26.098 1.00 0.00 O ATOM 12 CB SER A 2 -7.493 -6.153 24.940 1.00 0.00 C ATOM 13 OG SER A 2 -6.906 -7.443 24.935 1.00 0.00 O ATOM 0 H SER A 2 -6.769 -7.108 27.272 1.00 0.00 H new ATOM 0 HA SER A 2 -8.327 -4.772 26.360 1.00 0.00 H new ATOM 0 HB2 SER A 2 -8.251 -6.092 24.159 1.00 0.00 H new ATOM 0 HB3 SER A 2 -6.736 -5.404 24.708 1.00 0.00 H new ATOM 0 HG SER A 2 -6.510 -7.619 24.056 1.00 0.00 H new ATOM 19 N SER A 3 -9.372 -7.819 26.946 1.00 0.00 N ATOM 20 CA SER A 3 -10.561 -8.644 27.130 1.00 0.00 C ATOM 21 C SER A 3 -11.548 -8.438 25.985 1.00 0.00 C ATOM 22 O SER A 3 -12.753 -8.326 26.202 1.00 0.00 O ATOM 23 CB SER A 3 -11.234 -8.315 28.464 1.00 0.00 C ATOM 24 OG SER A 3 -11.525 -6.932 28.561 1.00 0.00 O ATOM 0 H SER A 3 -8.501 -8.264 27.236 1.00 0.00 H new ATOM 0 HA SER A 3 -10.251 -9.689 27.135 1.00 0.00 H new ATOM 0 HB2 SER A 3 -12.154 -8.891 28.563 1.00 0.00 H new ATOM 0 HB3 SER A 3 -10.583 -8.611 29.286 1.00 0.00 H new ATOM 0 HG SER A 3 -11.956 -6.748 29.422 1.00 0.00 H new ATOM 30 N GLY A 4 -11.025 -8.389 24.763 1.00 0.00 N ATOM 31 CA GLY A 4 -11.873 -8.197 23.601 1.00 0.00 C ATOM 32 C GLY A 4 -11.075 -8.002 22.327 1.00 0.00 C ATOM 33 O GLY A 4 -9.948 -8.484 22.212 1.00 0.00 O ATOM 0 H GLY A 4 -10.030 -8.479 24.557 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -12.529 -9.060 23.487 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -12.513 -7.330 23.762 1.00 0.00 H new ATOM 37 N SER A 5 -11.660 -7.294 21.366 1.00 0.00 N ATOM 38 CA SER A 5 -10.998 -7.041 20.092 1.00 0.00 C ATOM 39 C SER A 5 -10.534 -8.346 19.452 1.00 0.00 C ATOM 40 O SER A 5 -9.398 -8.455 18.991 1.00 0.00 O ATOM 41 CB SER A 5 -9.805 -6.104 20.290 1.00 0.00 C ATOM 42 OG SER A 5 -10.209 -4.883 20.883 1.00 0.00 O ATOM 0 H SER A 5 -12.591 -6.885 21.446 1.00 0.00 H new ATOM 0 HA SER A 5 -11.717 -6.565 19.425 1.00 0.00 H new ATOM 0 HB2 SER A 5 -9.059 -6.588 20.920 1.00 0.00 H new ATOM 0 HB3 SER A 5 -9.331 -5.906 19.329 1.00 0.00 H new ATOM 0 HG SER A 5 -9.428 -4.302 21.001 1.00 0.00 H new ATOM 48 N SER A 6 -11.422 -9.335 19.429 1.00 0.00 N ATOM 49 CA SER A 6 -11.104 -10.635 18.850 1.00 0.00 C ATOM 50 C SER A 6 -12.363 -11.319 18.325 1.00 0.00 C ATOM 51 O SER A 6 -13.252 -11.683 19.093 1.00 0.00 O ATOM 52 CB SER A 6 -10.422 -11.526 19.889 1.00 0.00 C ATOM 53 OG SER A 6 -9.090 -11.104 20.127 1.00 0.00 O ATOM 0 H SER A 6 -12.367 -9.261 19.805 1.00 0.00 H new ATOM 0 HA SER A 6 -10.423 -10.476 18.014 1.00 0.00 H new ATOM 0 HB2 SER A 6 -10.987 -11.501 20.821 1.00 0.00 H new ATOM 0 HB3 SER A 6 -10.423 -12.560 19.543 1.00 0.00 H new ATOM 0 HG SER A 6 -8.932 -10.249 19.675 1.00 0.00 H new ATOM 59 N GLY A 7 -12.430 -11.489 17.008 1.00 0.00 N ATOM 60 CA GLY A 7 -13.583 -12.128 16.401 1.00 0.00 C ATOM 61 C GLY A 7 -13.248 -12.797 15.082 1.00 0.00 C ATOM 62 O GLY A 7 -12.555 -13.813 15.052 1.00 0.00 O ATOM 0 H GLY A 7 -11.707 -11.196 16.351 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -13.987 -12.870 17.089 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -14.364 -11.385 16.240 1.00 0.00 H new ATOM 66 N GLY A 8 -13.744 -12.227 13.988 1.00 0.00 N ATOM 67 CA GLY A 8 -13.484 -12.790 12.676 1.00 0.00 C ATOM 68 C GLY A 8 -14.691 -13.505 12.102 1.00 0.00 C ATOM 69 O GLY A 8 -15.445 -14.147 12.833 1.00 0.00 O ATOM 0 H GLY A 8 -14.321 -11.386 13.987 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -13.180 -11.994 11.996 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -12.650 -13.488 12.743 1.00 0.00 H new ATOM 73 N GLU A 9 -14.875 -13.392 10.790 1.00 0.00 N ATOM 74 CA GLU A 9 -16.002 -14.032 10.120 1.00 0.00 C ATOM 75 C GLU A 9 -15.613 -14.487 8.717 1.00 0.00 C ATOM 76 O GLU A 9 -14.896 -13.799 7.990 1.00 0.00 O ATOM 77 CB GLU A 9 -17.191 -13.073 10.046 1.00 0.00 C ATOM 78 CG GLU A 9 -18.436 -13.693 9.433 1.00 0.00 C ATOM 79 CD GLU A 9 -19.500 -12.663 9.107 1.00 0.00 C ATOM 80 OE1 GLU A 9 -20.316 -12.352 10.000 1.00 0.00 O ATOM 81 OE2 GLU A 9 -19.518 -12.170 7.961 1.00 0.00 O ATOM 0 H GLU A 9 -14.260 -12.864 10.171 1.00 0.00 H new ATOM 0 HA GLU A 9 -16.288 -14.909 10.701 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -17.427 -12.722 11.051 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -16.906 -12.198 9.462 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -18.161 -14.227 8.523 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -18.848 -14.430 10.123 1.00 0.00 H new ATOM 88 N PRO A 10 -16.096 -15.675 8.325 1.00 0.00 N ATOM 89 CA PRO A 10 -15.812 -16.250 7.007 1.00 0.00 C ATOM 90 C PRO A 10 -16.504 -15.488 5.882 1.00 0.00 C ATOM 91 O PRO A 10 -17.084 -14.425 6.103 1.00 0.00 O ATOM 92 CB PRO A 10 -16.370 -17.671 7.112 1.00 0.00 C ATOM 93 CG PRO A 10 -17.427 -17.587 8.158 1.00 0.00 C ATOM 94 CD PRO A 10 -16.956 -16.550 9.139 1.00 0.00 C ATOM 0 HA PRO A 10 -14.750 -16.212 6.766 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -16.781 -18.006 6.160 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -15.592 -18.382 7.391 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -18.386 -17.305 7.722 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -17.570 -18.551 8.647 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -17.791 -16.001 9.574 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -16.405 -16.999 9.965 1.00 0.00 H new ATOM 102 N GLY A 11 -16.439 -16.038 4.673 1.00 0.00 N ATOM 103 CA GLY A 11 -17.064 -15.396 3.531 1.00 0.00 C ATOM 104 C GLY A 11 -16.445 -15.824 2.215 1.00 0.00 C ATOM 105 O GLY A 11 -15.228 -15.977 2.112 1.00 0.00 O ATOM 0 H GLY A 11 -15.965 -16.917 4.464 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -18.128 -15.632 3.522 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -16.979 -14.314 3.634 1.00 0.00 H new ATOM 109 N THR A 12 -17.286 -16.021 1.204 1.00 0.00 N ATOM 110 CA THR A 12 -16.816 -16.437 -0.111 1.00 0.00 C ATOM 111 C THR A 12 -16.281 -15.251 -0.905 1.00 0.00 C ATOM 112 O THR A 12 -16.474 -14.096 -0.522 1.00 0.00 O ATOM 113 CB THR A 12 -17.937 -17.117 -0.920 1.00 0.00 C ATOM 114 OG1 THR A 12 -17.432 -17.555 -2.186 1.00 0.00 O ATOM 115 CG2 THR A 12 -19.103 -16.163 -1.136 1.00 0.00 C ATOM 0 H THR A 12 -18.296 -15.899 1.271 1.00 0.00 H new ATOM 0 HA THR A 12 -16.011 -17.153 0.054 1.00 0.00 H new ATOM 0 HB THR A 12 -18.292 -17.978 -0.354 1.00 0.00 H new ATOM 0 HG1 THR A 12 -18.151 -17.988 -2.693 1.00 0.00 H new ATOM 0 HG21 THR A 12 -19.882 -16.665 -1.709 1.00 0.00 H new ATOM 0 HG22 THR A 12 -19.504 -15.855 -0.171 1.00 0.00 H new ATOM 0 HG23 THR A 12 -18.758 -15.285 -1.683 1.00 0.00 H new ATOM 123 N LYS A 13 -15.607 -15.541 -2.012 1.00 0.00 N ATOM 124 CA LYS A 13 -15.044 -14.499 -2.862 1.00 0.00 C ATOM 125 C LYS A 13 -15.547 -14.635 -4.296 1.00 0.00 C ATOM 126 O LYS A 13 -15.967 -15.713 -4.716 1.00 0.00 O ATOM 127 CB LYS A 13 -13.515 -14.562 -2.838 1.00 0.00 C ATOM 128 CG LYS A 13 -12.954 -15.892 -3.311 1.00 0.00 C ATOM 129 CD LYS A 13 -12.790 -16.869 -2.159 1.00 0.00 C ATOM 130 CE LYS A 13 -12.163 -18.176 -2.621 1.00 0.00 C ATOM 131 NZ LYS A 13 -12.249 -19.232 -1.575 1.00 0.00 N ATOM 0 H LYS A 13 -15.437 -16.491 -2.342 1.00 0.00 H new ATOM 0 HA LYS A 13 -15.367 -13.534 -2.472 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -13.117 -13.765 -3.466 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -13.168 -14.371 -1.823 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -13.617 -16.321 -4.062 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -11.990 -15.731 -3.793 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -12.168 -16.419 -1.385 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -13.763 -17.070 -1.710 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -12.664 -18.519 -3.526 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -11.118 -18.006 -2.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -11.811 -20.107 -1.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -11.749 -18.915 -0.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -13.247 -19.413 -1.345 1.00 0.00 H new ATOM 145 N ALA A 14 -15.499 -13.536 -5.042 1.00 0.00 N ATOM 146 CA ALA A 14 -15.947 -13.535 -6.429 1.00 0.00 C ATOM 147 C ALA A 14 -15.673 -12.190 -7.093 1.00 0.00 C ATOM 148 O ALA A 14 -15.768 -11.140 -6.456 1.00 0.00 O ATOM 149 CB ALA A 14 -17.428 -13.872 -6.506 1.00 0.00 C ATOM 0 H ALA A 14 -15.155 -12.636 -4.709 1.00 0.00 H new ATOM 0 HA ALA A 14 -15.384 -14.298 -6.967 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -17.748 -13.868 -7.548 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -17.599 -14.860 -6.078 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -17.999 -13.131 -5.947 1.00 0.00 H new ATOM 155 N LYS A 15 -15.331 -12.227 -8.376 1.00 0.00 N ATOM 156 CA LYS A 15 -15.043 -11.011 -9.128 1.00 0.00 C ATOM 157 C LYS A 15 -16.226 -10.624 -10.009 1.00 0.00 C ATOM 158 O LYS A 15 -16.276 -10.974 -11.188 1.00 0.00 O ATOM 159 CB LYS A 15 -13.793 -11.203 -9.989 1.00 0.00 C ATOM 160 CG LYS A 15 -13.334 -9.935 -10.688 1.00 0.00 C ATOM 161 CD LYS A 15 -12.023 -10.147 -11.425 1.00 0.00 C ATOM 162 CE LYS A 15 -10.828 -9.960 -10.502 1.00 0.00 C ATOM 163 NZ LYS A 15 -10.520 -11.200 -9.736 1.00 0.00 N ATOM 0 H LYS A 15 -15.246 -13.087 -8.918 1.00 0.00 H new ATOM 0 HA LYS A 15 -14.865 -10.206 -8.415 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -12.983 -11.575 -9.361 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -13.993 -11.969 -10.738 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -14.100 -9.609 -11.392 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -13.215 -9.137 -9.955 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -12.002 -11.150 -11.851 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -11.955 -9.446 -12.257 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -9.957 -9.670 -11.090 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -11.030 -9.145 -9.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -9.490 -11.292 -9.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -10.967 -11.149 -8.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -10.888 -12.026 -10.250 1.00 0.00 H new ATOM 177 N LYS A 16 -17.176 -9.897 -9.430 1.00 0.00 N ATOM 178 CA LYS A 16 -18.358 -9.459 -10.163 1.00 0.00 C ATOM 179 C LYS A 16 -18.375 -7.941 -10.310 1.00 0.00 C ATOM 180 O LYS A 16 -18.982 -7.236 -9.504 1.00 0.00 O ATOM 181 CB LYS A 16 -19.628 -9.927 -9.449 1.00 0.00 C ATOM 182 CG LYS A 16 -20.027 -11.352 -9.790 1.00 0.00 C ATOM 183 CD LYS A 16 -20.959 -11.399 -10.990 1.00 0.00 C ATOM 184 CE LYS A 16 -20.214 -11.112 -12.285 1.00 0.00 C ATOM 185 NZ LYS A 16 -20.208 -9.659 -12.612 1.00 0.00 N ATOM 0 H LYS A 16 -17.150 -9.599 -8.455 1.00 0.00 H new ATOM 0 HA LYS A 16 -18.323 -9.903 -11.158 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -19.479 -9.848 -8.372 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -20.448 -9.257 -9.708 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -19.134 -11.941 -9.999 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -20.516 -11.809 -8.930 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -21.429 -12.381 -11.049 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -21.759 -10.670 -10.860 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -19.188 -11.469 -12.200 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -20.678 -11.666 -13.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -20.840 -9.482 -13.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -20.538 -9.116 -11.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -19.242 -9.362 -12.858 1.00 0.00 H new ATOM 199 N GLY A 17 -17.705 -7.443 -11.345 1.00 0.00 N ATOM 200 CA GLY A 17 -17.658 -6.012 -11.580 1.00 0.00 C ATOM 201 C GLY A 17 -17.473 -5.221 -10.300 1.00 0.00 C ATOM 202 O GLY A 17 -18.425 -4.642 -9.777 1.00 0.00 O ATOM 0 H GLY A 17 -17.194 -8.006 -12.025 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -16.841 -5.786 -12.265 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -18.580 -5.696 -12.069 1.00 0.00 H new ATOM 206 N ARG A 18 -16.244 -5.196 -9.794 1.00 0.00 N ATOM 207 CA ARG A 18 -15.938 -4.473 -8.565 1.00 0.00 C ATOM 208 C ARG A 18 -16.555 -3.078 -8.588 1.00 0.00 C ATOM 209 O ARG A 18 -16.210 -2.249 -9.431 1.00 0.00 O ATOM 210 CB ARG A 18 -14.424 -4.370 -8.373 1.00 0.00 C ATOM 211 CG ARG A 18 -13.766 -5.689 -8.004 1.00 0.00 C ATOM 212 CD ARG A 18 -12.260 -5.539 -7.857 1.00 0.00 C ATOM 213 NE ARG A 18 -11.619 -5.187 -9.121 1.00 0.00 N ATOM 214 CZ ARG A 18 -11.510 -3.941 -9.568 1.00 0.00 C ATOM 215 NH1 ARG A 18 -11.997 -2.933 -8.858 1.00 0.00 N ATOM 216 NH2 ARG A 18 -10.913 -3.701 -10.729 1.00 0.00 N ATOM 0 H ARG A 18 -15.444 -5.668 -10.216 1.00 0.00 H new ATOM 0 HA ARG A 18 -16.366 -5.027 -7.730 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -13.974 -3.994 -9.292 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -14.214 -3.638 -7.593 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -14.189 -6.059 -7.070 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -13.986 -6.433 -8.770 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -12.043 -4.771 -7.114 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -11.838 -6.472 -7.484 1.00 0.00 H new ATOM 0 HE ARG A 18 -11.234 -5.939 -9.692 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -12.457 -3.113 -7.966 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -11.912 -1.977 -9.204 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -10.537 -4.474 -11.279 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -10.830 -2.744 -11.071 1.00 0.00 H new ATOM 230 N ARG A 19 -17.470 -2.825 -7.657 1.00 0.00 N ATOM 231 CA ARG A 19 -18.136 -1.531 -7.572 1.00 0.00 C ATOM 232 C ARG A 19 -17.933 -0.905 -6.196 1.00 0.00 C ATOM 233 O ARG A 19 -18.887 -0.459 -5.559 1.00 0.00 O ATOM 234 CB ARG A 19 -19.631 -1.683 -7.859 1.00 0.00 C ATOM 235 CG ARG A 19 -20.344 -2.616 -6.895 1.00 0.00 C ATOM 236 CD ARG A 19 -21.567 -3.253 -7.537 1.00 0.00 C ATOM 237 NE ARG A 19 -22.732 -2.374 -7.486 1.00 0.00 N ATOM 238 CZ ARG A 19 -23.474 -2.200 -6.398 1.00 0.00 C ATOM 239 NH1 ARG A 19 -23.173 -2.840 -5.277 1.00 0.00 N ATOM 240 NH2 ARG A 19 -24.520 -1.383 -6.430 1.00 0.00 N ATOM 0 H ARG A 19 -17.767 -3.499 -6.951 1.00 0.00 H new ATOM 0 HA ARG A 19 -17.694 -0.873 -8.321 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -20.102 -0.701 -7.816 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -19.761 -2.055 -8.875 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -19.657 -3.396 -6.566 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -20.646 -2.061 -6.006 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -21.344 -3.500 -8.575 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -21.797 -4.189 -7.029 1.00 0.00 H new ATOM 0 HE ARG A 19 -22.990 -1.866 -8.332 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -22.370 -3.468 -5.248 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -23.745 -2.704 -4.443 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -24.755 -0.888 -7.291 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -25.089 -1.250 -5.594 1.00 0.00 H new ATOM 254 N SER A 20 -16.683 -0.876 -5.743 1.00 0.00 N ATOM 255 CA SER A 20 -16.355 -0.308 -4.440 1.00 0.00 C ATOM 256 C SER A 20 -17.172 -0.974 -3.337 1.00 0.00 C ATOM 257 O SER A 20 -17.687 -0.304 -2.441 1.00 0.00 O ATOM 258 CB SER A 20 -16.609 1.200 -4.439 1.00 0.00 C ATOM 259 OG SER A 20 -15.830 1.849 -5.429 1.00 0.00 O ATOM 0 H SER A 20 -15.881 -1.239 -6.259 1.00 0.00 H new ATOM 0 HA SER A 20 -15.298 -0.491 -4.247 1.00 0.00 H new ATOM 0 HB2 SER A 20 -17.666 1.394 -4.619 1.00 0.00 H new ATOM 0 HB3 SER A 20 -16.372 1.611 -3.458 1.00 0.00 H new ATOM 0 HG SER A 20 -16.012 2.812 -5.409 1.00 0.00 H new ATOM 265 N ARG A 21 -17.286 -2.296 -3.409 1.00 0.00 N ATOM 266 CA ARG A 21 -18.041 -3.053 -2.417 1.00 0.00 C ATOM 267 C ARG A 21 -17.152 -3.444 -1.240 1.00 0.00 C ATOM 268 O ARG A 21 -17.643 -3.825 -0.177 1.00 0.00 O ATOM 269 CB ARG A 21 -18.645 -4.307 -3.053 1.00 0.00 C ATOM 270 CG ARG A 21 -17.625 -5.399 -3.331 1.00 0.00 C ATOM 271 CD ARG A 21 -16.984 -5.227 -4.699 1.00 0.00 C ATOM 272 NE ARG A 21 -16.462 -6.487 -5.222 1.00 0.00 N ATOM 273 CZ ARG A 21 -17.232 -7.503 -5.596 1.00 0.00 C ATOM 274 NH1 ARG A 21 -18.552 -7.407 -5.506 1.00 0.00 N ATOM 275 NH2 ARG A 21 -16.683 -8.617 -6.061 1.00 0.00 N ATOM 0 H ARG A 21 -16.865 -2.865 -4.144 1.00 0.00 H new ATOM 0 HA ARG A 21 -18.846 -2.418 -2.047 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -19.418 -4.702 -2.394 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -19.134 -4.031 -3.988 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -16.853 -5.382 -2.562 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -18.109 -6.374 -3.275 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -17.719 -4.822 -5.395 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -16.175 -4.500 -4.631 1.00 0.00 H new ATOM 0 HE ARG A 21 -15.451 -6.593 -5.305 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -18.978 -6.552 -5.149 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -19.141 -8.188 -5.794 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -15.668 -8.695 -6.132 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -17.275 -9.396 -6.348 1.00 0.00 H new ATOM 289 N THR A 22 -15.841 -3.348 -1.437 1.00 0.00 N ATOM 290 CA THR A 22 -14.884 -3.693 -0.394 1.00 0.00 C ATOM 291 C THR A 22 -14.684 -2.532 0.575 1.00 0.00 C ATOM 292 O THR A 22 -14.406 -1.406 0.161 1.00 0.00 O ATOM 293 CB THR A 22 -13.521 -4.089 -0.991 1.00 0.00 C ATOM 294 OG1 THR A 22 -13.005 -3.017 -1.788 1.00 0.00 O ATOM 295 CG2 THR A 22 -13.646 -5.345 -1.840 1.00 0.00 C ATOM 0 H THR A 22 -15.418 -3.034 -2.310 1.00 0.00 H new ATOM 0 HA THR A 22 -15.298 -4.545 0.145 1.00 0.00 H new ATOM 0 HB THR A 22 -12.835 -4.293 -0.169 1.00 0.00 H new ATOM 0 HG1 THR A 22 -13.309 -2.161 -1.421 1.00 0.00 H new ATOM 0 HG21 THR A 22 -12.670 -5.605 -2.251 1.00 0.00 H new ATOM 0 HG22 THR A 22 -14.011 -6.166 -1.223 1.00 0.00 H new ATOM 0 HG23 THR A 22 -14.347 -5.165 -2.655 1.00 0.00 H new ATOM 303 N VAL A 23 -14.827 -2.813 1.866 1.00 0.00 N ATOM 304 CA VAL A 23 -14.660 -1.793 2.894 1.00 0.00 C ATOM 305 C VAL A 23 -13.986 -2.367 4.134 1.00 0.00 C ATOM 306 O VAL A 23 -14.426 -3.379 4.681 1.00 0.00 O ATOM 307 CB VAL A 23 -16.013 -1.176 3.297 1.00 0.00 C ATOM 308 CG1 VAL A 23 -15.806 -0.024 4.268 1.00 0.00 C ATOM 309 CG2 VAL A 23 -16.776 -0.715 2.064 1.00 0.00 C ATOM 0 H VAL A 23 -15.058 -3.739 2.225 1.00 0.00 H new ATOM 0 HA VAL A 23 -14.027 -1.015 2.468 1.00 0.00 H new ATOM 0 HB VAL A 23 -16.607 -1.940 3.799 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -16.772 0.399 4.542 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -15.303 -0.389 5.164 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -15.194 0.744 3.796 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -17.729 -0.282 2.367 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -16.190 0.034 1.532 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -16.957 -1.567 1.408 1.00 0.00 H new ATOM 319 N PHE A 24 -12.916 -1.715 4.576 1.00 0.00 N ATOM 320 CA PHE A 24 -12.180 -2.161 5.753 1.00 0.00 C ATOM 321 C PHE A 24 -12.904 -1.755 7.033 1.00 0.00 C ATOM 322 O PHE A 24 -13.809 -0.920 7.011 1.00 0.00 O ATOM 323 CB PHE A 24 -10.765 -1.578 5.747 1.00 0.00 C ATOM 324 CG PHE A 24 -9.937 -2.026 4.577 1.00 0.00 C ATOM 325 CD1 PHE A 24 -10.074 -1.417 3.340 1.00 0.00 C ATOM 326 CD2 PHE A 24 -9.020 -3.056 4.714 1.00 0.00 C ATOM 327 CE1 PHE A 24 -9.313 -1.827 2.261 1.00 0.00 C ATOM 328 CE2 PHE A 24 -8.256 -3.470 3.640 1.00 0.00 C ATOM 329 CZ PHE A 24 -8.404 -2.856 2.411 1.00 0.00 C ATOM 0 H PHE A 24 -12.539 -0.875 4.136 1.00 0.00 H new ATOM 0 HA PHE A 24 -12.117 -3.249 5.721 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -10.829 -0.490 5.741 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -10.259 -1.863 6.670 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -10.784 -0.612 3.217 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -8.901 -3.541 5.672 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -9.429 -1.343 1.302 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -7.544 -4.273 3.761 1.00 0.00 H new ATOM 0 HZ PHE A 24 -7.810 -3.180 1.569 1.00 0.00 H new ATOM 339 N THR A 25 -12.500 -2.354 8.149 1.00 0.00 N ATOM 340 CA THR A 25 -13.110 -2.058 9.439 1.00 0.00 C ATOM 341 C THR A 25 -12.209 -1.161 10.281 1.00 0.00 C ATOM 342 O THR A 25 -10.986 -1.299 10.258 1.00 0.00 O ATOM 343 CB THR A 25 -13.413 -3.346 10.227 1.00 0.00 C ATOM 344 OG1 THR A 25 -12.195 -4.042 10.515 1.00 0.00 O ATOM 345 CG2 THR A 25 -14.348 -4.253 9.440 1.00 0.00 C ATOM 0 H THR A 25 -11.753 -3.047 8.185 1.00 0.00 H new ATOM 0 HA THR A 25 -14.046 -1.538 9.233 1.00 0.00 H new ATOM 0 HB THR A 25 -13.902 -3.069 11.161 1.00 0.00 H new ATOM 0 HG1 THR A 25 -12.396 -4.859 11.018 1.00 0.00 H new ATOM 0 HG21 THR A 25 -14.548 -5.157 10.016 1.00 0.00 H new ATOM 0 HG22 THR A 25 -15.285 -3.730 9.247 1.00 0.00 H new ATOM 0 HG23 THR A 25 -13.881 -4.522 8.493 1.00 0.00 H new ATOM 353 N GLU A 26 -12.821 -0.245 11.024 1.00 0.00 N ATOM 354 CA GLU A 26 -12.072 0.674 11.873 1.00 0.00 C ATOM 355 C GLU A 26 -10.852 -0.016 12.478 1.00 0.00 C ATOM 356 O GLU A 26 -9.758 0.549 12.512 1.00 0.00 O ATOM 357 CB GLU A 26 -12.968 1.219 12.988 1.00 0.00 C ATOM 358 CG GLU A 26 -14.009 2.212 12.501 1.00 0.00 C ATOM 359 CD GLU A 26 -14.907 2.711 13.616 1.00 0.00 C ATOM 360 OE1 GLU A 26 -15.844 1.979 13.996 1.00 0.00 O ATOM 361 OE2 GLU A 26 -14.671 3.834 14.110 1.00 0.00 O ATOM 0 H GLU A 26 -13.833 -0.119 11.055 1.00 0.00 H new ATOM 0 HA GLU A 26 -11.730 1.503 11.254 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -13.473 0.386 13.476 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -12.344 1.700 13.742 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -13.507 3.061 12.037 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -14.620 1.743 11.730 1.00 0.00 H new ATOM 368 N LEU A 27 -11.048 -1.241 12.955 1.00 0.00 N ATOM 369 CA LEU A 27 -9.965 -2.009 13.559 1.00 0.00 C ATOM 370 C LEU A 27 -8.867 -2.296 12.540 1.00 0.00 C ATOM 371 O LEU A 27 -7.716 -1.903 12.728 1.00 0.00 O ATOM 372 CB LEU A 27 -10.503 -3.322 14.130 1.00 0.00 C ATOM 373 CG LEU A 27 -9.752 -3.887 15.337 1.00 0.00 C ATOM 374 CD1 LEU A 27 -10.126 -3.128 16.600 1.00 0.00 C ATOM 375 CD2 LEU A 27 -10.042 -5.372 15.499 1.00 0.00 C ATOM 0 H LEU A 27 -11.947 -1.723 12.935 1.00 0.00 H new ATOM 0 HA LEU A 27 -9.538 -1.416 14.368 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -11.545 -3.172 14.413 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -10.493 -4.071 13.338 1.00 0.00 H new ATOM 0 HG LEU A 27 -8.683 -3.763 15.166 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -9.582 -3.543 17.449 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -9.866 -2.076 16.483 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -11.198 -3.220 16.776 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -9.499 -5.757 16.362 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -11.112 -5.520 15.647 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -9.723 -5.905 14.603 1.00 0.00 H new ATOM 387 N GLN A 28 -9.232 -2.981 11.461 1.00 0.00 N ATOM 388 CA GLN A 28 -8.277 -3.318 10.412 1.00 0.00 C ATOM 389 C GLN A 28 -7.516 -2.080 9.950 1.00 0.00 C ATOM 390 O GLN A 28 -6.293 -2.108 9.804 1.00 0.00 O ATOM 391 CB GLN A 28 -8.997 -3.962 9.226 1.00 0.00 C ATOM 392 CG GLN A 28 -9.655 -5.291 9.561 1.00 0.00 C ATOM 393 CD GLN A 28 -10.634 -5.743 8.496 1.00 0.00 C ATOM 394 OE1 GLN A 28 -11.204 -4.925 7.774 1.00 0.00 O ATOM 395 NE2 GLN A 28 -10.834 -7.051 8.392 1.00 0.00 N ATOM 0 H GLN A 28 -10.181 -3.313 11.290 1.00 0.00 H new ATOM 0 HA GLN A 28 -7.560 -4.029 10.822 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -9.756 -3.273 8.856 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -8.282 -4.114 8.417 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -8.885 -6.052 9.687 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -10.176 -5.204 10.514 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -10.340 -7.693 9.011 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -11.482 -7.414 7.693 1.00 0.00 H new ATOM 404 N LEU A 29 -8.247 -0.995 9.720 1.00 0.00 N ATOM 405 CA LEU A 29 -7.641 0.255 9.273 1.00 0.00 C ATOM 406 C LEU A 29 -6.655 0.784 10.311 1.00 0.00 C ATOM 407 O LEU A 29 -5.555 1.218 9.971 1.00 0.00 O ATOM 408 CB LEU A 29 -8.723 1.301 9.002 1.00 0.00 C ATOM 409 CG LEU A 29 -9.469 1.166 7.674 1.00 0.00 C ATOM 410 CD1 LEU A 29 -10.665 2.104 7.635 1.00 0.00 C ATOM 411 CD2 LEU A 29 -8.533 1.444 6.506 1.00 0.00 C ATOM 0 H LEU A 29 -9.260 -0.955 9.835 1.00 0.00 H new ATOM 0 HA LEU A 29 -7.097 0.056 8.350 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -9.452 1.259 9.811 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -8.263 2.288 9.039 1.00 0.00 H new ATOM 0 HG LEU A 29 -9.833 0.142 7.587 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -11.183 1.994 6.682 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -11.347 1.859 8.449 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -10.324 3.133 7.745 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -9.081 1.343 5.569 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -8.139 2.457 6.589 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -7.709 0.731 6.523 1.00 0.00 H new ATOM 423 N MET A 30 -7.058 0.742 11.577 1.00 0.00 N ATOM 424 CA MET A 30 -6.208 1.213 12.664 1.00 0.00 C ATOM 425 C MET A 30 -4.837 0.547 12.611 1.00 0.00 C ATOM 426 O MET A 30 -3.810 1.205 12.768 1.00 0.00 O ATOM 427 CB MET A 30 -6.871 0.937 14.015 1.00 0.00 C ATOM 428 CG MET A 30 -5.968 1.219 15.204 1.00 0.00 C ATOM 429 SD MET A 30 -6.893 1.542 16.718 1.00 0.00 S ATOM 430 CE MET A 30 -7.578 -0.080 17.049 1.00 0.00 C ATOM 0 H MET A 30 -7.967 0.387 11.875 1.00 0.00 H new ATOM 0 HA MET A 30 -6.074 2.288 12.546 1.00 0.00 H new ATOM 0 HB2 MET A 30 -7.771 1.546 14.100 1.00 0.00 H new ATOM 0 HB3 MET A 30 -7.188 -0.105 14.049 1.00 0.00 H new ATOM 0 HG2 MET A 30 -5.306 0.368 15.362 1.00 0.00 H new ATOM 0 HG3 MET A 30 -5.335 2.078 14.979 1.00 0.00 H new ATOM 0 HE1 MET A 30 -8.178 -0.043 17.958 1.00 0.00 H new ATOM 0 HE2 MET A 30 -8.205 -0.388 16.212 1.00 0.00 H new ATOM 0 HE3 MET A 30 -6.768 -0.798 17.178 1.00 0.00 H new ATOM 440 N GLY A 31 -4.829 -0.764 12.390 1.00 0.00 N ATOM 441 CA GLY A 31 -3.579 -1.497 12.322 1.00 0.00 C ATOM 442 C GLY A 31 -2.804 -1.205 11.052 1.00 0.00 C ATOM 443 O GLY A 31 -1.588 -1.013 11.087 1.00 0.00 O ATOM 0 H GLY A 31 -5.666 -1.331 12.257 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -2.965 -1.242 13.186 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -3.784 -2.566 12.381 1.00 0.00 H new ATOM 447 N LEU A 32 -3.509 -1.174 9.926 1.00 0.00 N ATOM 448 CA LEU A 32 -2.879 -0.905 8.637 1.00 0.00 C ATOM 449 C LEU A 32 -2.088 0.398 8.679 1.00 0.00 C ATOM 450 O LEU A 32 -0.946 0.456 8.225 1.00 0.00 O ATOM 451 CB LEU A 32 -3.938 -0.836 7.535 1.00 0.00 C ATOM 452 CG LEU A 32 -4.472 -2.178 7.033 1.00 0.00 C ATOM 453 CD1 LEU A 32 -5.740 -1.977 6.217 1.00 0.00 C ATOM 454 CD2 LEU A 32 -3.414 -2.898 6.209 1.00 0.00 C ATOM 0 H LEU A 32 -4.516 -1.332 9.879 1.00 0.00 H new ATOM 0 HA LEU A 32 -2.189 -1.721 8.420 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.779 -0.248 7.903 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.517 -0.295 6.687 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.715 -2.797 7.897 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -6.105 -2.943 5.868 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.501 -1.504 6.838 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.524 -1.340 5.359 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.811 -3.851 5.860 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.140 -2.283 5.352 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.532 -3.076 6.825 1.00 0.00 H new ATOM 466 N GLU A 33 -2.702 1.440 9.230 1.00 0.00 N ATOM 467 CA GLU A 33 -2.053 2.742 9.333 1.00 0.00 C ATOM 468 C GLU A 33 -0.795 2.657 10.192 1.00 0.00 C ATOM 469 O GLU A 33 0.228 3.266 9.878 1.00 0.00 O ATOM 470 CB GLU A 33 -3.018 3.773 9.923 1.00 0.00 C ATOM 471 CG GLU A 33 -4.237 4.032 9.055 1.00 0.00 C ATOM 472 CD GLU A 33 -5.068 5.200 9.549 1.00 0.00 C ATOM 473 OE1 GLU A 33 -5.732 5.053 10.597 1.00 0.00 O ATOM 474 OE2 GLU A 33 -5.054 6.260 8.890 1.00 0.00 O ATOM 0 H GLU A 33 -3.647 1.408 9.612 1.00 0.00 H new ATOM 0 HA GLU A 33 -1.766 3.056 8.329 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -3.347 3.430 10.904 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -2.485 4.711 10.075 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -3.915 4.227 8.032 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -4.857 3.136 9.029 1.00 0.00 H new ATOM 481 N LYS A 34 -0.878 1.896 11.278 1.00 0.00 N ATOM 482 CA LYS A 34 0.252 1.729 12.184 1.00 0.00 C ATOM 483 C LYS A 34 1.424 1.060 11.473 1.00 0.00 C ATOM 484 O LYS A 34 2.557 1.539 11.536 1.00 0.00 O ATOM 485 CB LYS A 34 -0.161 0.898 13.401 1.00 0.00 C ATOM 486 CG LYS A 34 0.772 1.053 14.589 1.00 0.00 C ATOM 487 CD LYS A 34 0.573 2.390 15.284 1.00 0.00 C ATOM 488 CE LYS A 34 -0.544 2.322 16.313 1.00 0.00 C ATOM 489 NZ LYS A 34 -1.872 2.623 15.711 1.00 0.00 N ATOM 0 H LYS A 34 -1.717 1.385 11.552 1.00 0.00 H new ATOM 0 HA LYS A 34 0.567 2.718 12.517 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -1.169 1.185 13.701 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.201 -0.153 13.116 1.00 0.00 H new ATOM 0 HG2 LYS A 34 0.597 0.244 15.298 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.806 0.966 14.255 1.00 0.00 H new ATOM 0 HD2 LYS A 34 1.501 2.689 15.772 1.00 0.00 H new ATOM 0 HD3 LYS A 34 0.341 3.155 14.543 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -0.565 1.328 16.761 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -0.341 3.030 17.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -2.380 3.303 16.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -1.739 3.031 14.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -2.426 1.746 15.636 1.00 0.00 H new ATOM 503 N ARG A 35 1.145 -0.050 10.797 1.00 0.00 N ATOM 504 CA ARG A 35 2.177 -0.784 10.074 1.00 0.00 C ATOM 505 C ARG A 35 2.741 0.054 8.931 1.00 0.00 C ATOM 506 O ARG A 35 3.956 0.202 8.797 1.00 0.00 O ATOM 507 CB ARG A 35 1.610 -2.096 9.527 1.00 0.00 C ATOM 508 CG ARG A 35 1.563 -3.214 10.556 1.00 0.00 C ATOM 509 CD ARG A 35 2.941 -3.499 11.133 1.00 0.00 C ATOM 510 NE ARG A 35 3.062 -4.874 11.609 1.00 0.00 N ATOM 511 CZ ARG A 35 4.099 -5.322 12.307 1.00 0.00 C ATOM 512 NH1 ARG A 35 5.100 -4.507 12.611 1.00 0.00 N ATOM 513 NH2 ARG A 35 4.136 -6.587 12.705 1.00 0.00 N ATOM 0 H ARG A 35 0.213 -0.461 10.735 1.00 0.00 H new ATOM 0 HA ARG A 35 2.985 -1.007 10.771 1.00 0.00 H new ATOM 0 HB2 ARG A 35 0.603 -1.918 9.150 1.00 0.00 H new ATOM 0 HB3 ARG A 35 2.215 -2.418 8.680 1.00 0.00 H new ATOM 0 HG2 ARG A 35 0.880 -2.941 11.360 1.00 0.00 H new ATOM 0 HG3 ARG A 35 1.167 -4.118 10.094 1.00 0.00 H new ATOM 0 HD2 ARG A 35 3.698 -3.311 10.372 1.00 0.00 H new ATOM 0 HD3 ARG A 35 3.138 -2.812 11.956 1.00 0.00 H new ATOM 0 HE ARG A 35 2.308 -5.527 11.393 1.00 0.00 H new ATOM 0 HH11 ARG A 35 5.075 -3.533 12.309 1.00 0.00 H new ATOM 0 HH12 ARG A 35 5.895 -4.854 13.147 1.00 0.00 H new ATOM 0 HH21 ARG A 35 3.367 -7.217 12.475 1.00 0.00 H new ATOM 0 HH22 ARG A 35 4.933 -6.930 13.241 1.00 0.00 H new ATOM 527 N PHE A 36 1.851 0.600 8.109 1.00 0.00 N ATOM 528 CA PHE A 36 2.260 1.423 6.976 1.00 0.00 C ATOM 529 C PHE A 36 3.068 2.630 7.444 1.00 0.00 C ATOM 530 O PHE A 36 4.103 2.958 6.867 1.00 0.00 O ATOM 531 CB PHE A 36 1.034 1.889 6.189 1.00 0.00 C ATOM 532 CG PHE A 36 1.376 2.711 4.978 1.00 0.00 C ATOM 533 CD1 PHE A 36 1.965 3.957 5.115 1.00 0.00 C ATOM 534 CD2 PHE A 36 1.109 2.236 3.705 1.00 0.00 C ATOM 535 CE1 PHE A 36 2.280 4.715 4.003 1.00 0.00 C ATOM 536 CE2 PHE A 36 1.422 2.989 2.589 1.00 0.00 C ATOM 537 CZ PHE A 36 2.009 4.230 2.738 1.00 0.00 C ATOM 0 H PHE A 36 0.842 0.488 8.206 1.00 0.00 H new ATOM 0 HA PHE A 36 2.891 0.816 6.326 1.00 0.00 H new ATOM 0 HB2 PHE A 36 0.460 1.017 5.876 1.00 0.00 H new ATOM 0 HB3 PHE A 36 0.391 2.475 6.846 1.00 0.00 H new ATOM 0 HD1 PHE A 36 2.180 4.340 6.101 1.00 0.00 H new ATOM 0 HD2 PHE A 36 0.651 1.266 3.583 1.00 0.00 H new ATOM 0 HE1 PHE A 36 2.738 5.686 4.123 1.00 0.00 H new ATOM 0 HE2 PHE A 36 1.208 2.607 1.602 1.00 0.00 H new ATOM 0 HZ PHE A 36 2.256 4.820 1.868 1.00 0.00 H new ATOM 547 N GLU A 37 2.584 3.287 8.494 1.00 0.00 N ATOM 548 CA GLU A 37 3.260 4.459 9.038 1.00 0.00 C ATOM 549 C GLU A 37 4.700 4.128 9.419 1.00 0.00 C ATOM 550 O GLU A 37 5.640 4.784 8.969 1.00 0.00 O ATOM 551 CB GLU A 37 2.507 4.988 10.260 1.00 0.00 C ATOM 552 CG GLU A 37 1.433 6.007 9.919 1.00 0.00 C ATOM 553 CD GLU A 37 1.904 7.036 8.910 1.00 0.00 C ATOM 554 OE1 GLU A 37 2.951 7.672 9.157 1.00 0.00 O ATOM 555 OE2 GLU A 37 1.228 7.207 7.875 1.00 0.00 O ATOM 0 H GLU A 37 1.728 3.028 8.984 1.00 0.00 H new ATOM 0 HA GLU A 37 3.274 5.229 8.267 1.00 0.00 H new ATOM 0 HB2 GLU A 37 2.047 4.150 10.784 1.00 0.00 H new ATOM 0 HB3 GLU A 37 3.221 5.441 10.948 1.00 0.00 H new ATOM 0 HG2 GLU A 37 0.559 5.489 9.523 1.00 0.00 H new ATOM 0 HG3 GLU A 37 1.117 6.515 10.830 1.00 0.00 H new ATOM 562 N LYS A 38 4.866 3.106 10.251 1.00 0.00 N ATOM 563 CA LYS A 38 6.190 2.686 10.694 1.00 0.00 C ATOM 564 C LYS A 38 7.016 2.167 9.521 1.00 0.00 C ATOM 565 O LYS A 38 8.100 2.677 9.241 1.00 0.00 O ATOM 566 CB LYS A 38 6.072 1.601 11.767 1.00 0.00 C ATOM 567 CG LYS A 38 5.475 2.099 13.072 1.00 0.00 C ATOM 568 CD LYS A 38 6.482 2.910 13.872 1.00 0.00 C ATOM 569 CE LYS A 38 5.969 3.210 15.272 1.00 0.00 C ATOM 570 NZ LYS A 38 6.995 3.899 16.102 1.00 0.00 N ATOM 0 H LYS A 38 4.099 2.552 10.633 1.00 0.00 H new ATOM 0 HA LYS A 38 6.696 3.554 11.118 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.457 0.787 11.383 1.00 0.00 H new ATOM 0 HB3 LYS A 38 7.061 1.187 11.964 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.598 2.711 12.862 1.00 0.00 H new ATOM 0 HG3 LYS A 38 5.136 1.250 13.666 1.00 0.00 H new ATOM 0 HD2 LYS A 38 7.422 2.362 13.937 1.00 0.00 H new ATOM 0 HD3 LYS A 38 6.693 3.845 13.353 1.00 0.00 H new ATOM 0 HE2 LYS A 38 5.077 3.833 15.206 1.00 0.00 H new ATOM 0 HE3 LYS A 38 5.673 2.280 15.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 6.607 4.086 17.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 7.837 3.294 16.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 7.259 4.799 15.652 1.00 0.00 H new ATOM 584 N GLN A 39 6.496 1.151 8.840 1.00 0.00 N ATOM 585 CA GLN A 39 7.186 0.565 7.697 1.00 0.00 C ATOM 586 C GLN A 39 6.457 0.887 6.397 1.00 0.00 C ATOM 587 O GLN A 39 5.508 0.200 6.018 1.00 0.00 O ATOM 588 CB GLN A 39 7.304 -0.950 7.868 1.00 0.00 C ATOM 589 CG GLN A 39 8.025 -1.638 6.720 1.00 0.00 C ATOM 590 CD GLN A 39 8.710 -2.921 7.146 1.00 0.00 C ATOM 591 OE1 GLN A 39 8.617 -3.334 8.302 1.00 0.00 O ATOM 592 NE2 GLN A 39 9.405 -3.560 6.212 1.00 0.00 N ATOM 0 H GLN A 39 5.600 0.717 9.060 1.00 0.00 H new ATOM 0 HA GLN A 39 8.186 0.997 7.648 1.00 0.00 H new ATOM 0 HB2 GLN A 39 7.833 -1.162 8.797 1.00 0.00 H new ATOM 0 HB3 GLN A 39 6.305 -1.375 7.965 1.00 0.00 H new ATOM 0 HG2 GLN A 39 7.310 -1.858 5.927 1.00 0.00 H new ATOM 0 HG3 GLN A 39 8.766 -0.957 6.301 1.00 0.00 H new ATOM 0 HE21 GLN A 39 9.456 -3.182 5.266 1.00 0.00 H new ATOM 0 HE22 GLN A 39 9.888 -4.429 6.441 1.00 0.00 H new ATOM 601 N LYS A 40 6.906 1.936 5.716 1.00 0.00 N ATOM 602 CA LYS A 40 6.298 2.350 4.457 1.00 0.00 C ATOM 603 C LYS A 40 6.003 1.142 3.573 1.00 0.00 C ATOM 604 O LYS A 40 5.001 1.114 2.859 1.00 0.00 O ATOM 605 CB LYS A 40 7.218 3.324 3.718 1.00 0.00 C ATOM 606 CG LYS A 40 7.489 4.606 4.486 1.00 0.00 C ATOM 607 CD LYS A 40 6.264 5.506 4.518 1.00 0.00 C ATOM 608 CE LYS A 40 6.488 6.720 5.407 1.00 0.00 C ATOM 609 NZ LYS A 40 6.082 6.458 6.815 1.00 0.00 N ATOM 0 H LYS A 40 7.690 2.516 6.016 1.00 0.00 H new ATOM 0 HA LYS A 40 5.357 2.851 4.684 1.00 0.00 H new ATOM 0 HB2 LYS A 40 8.166 2.828 3.509 1.00 0.00 H new ATOM 0 HB3 LYS A 40 6.771 3.574 2.756 1.00 0.00 H new ATOM 0 HG2 LYS A 40 7.791 4.364 5.505 1.00 0.00 H new ATOM 0 HG3 LYS A 40 8.321 5.138 4.025 1.00 0.00 H new ATOM 0 HD2 LYS A 40 6.025 5.834 3.506 1.00 0.00 H new ATOM 0 HD3 LYS A 40 5.405 4.941 4.881 1.00 0.00 H new ATOM 0 HE2 LYS A 40 7.541 7.002 5.379 1.00 0.00 H new ATOM 0 HE3 LYS A 40 5.921 7.565 5.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 6.690 7.003 7.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 5.091 6.744 6.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 6.181 5.444 7.022 1.00 0.00 H new ATOM 623 N TYR A 41 6.881 0.147 3.627 1.00 0.00 N ATOM 624 CA TYR A 41 6.714 -1.063 2.830 1.00 0.00 C ATOM 625 C TYR A 41 7.031 -2.307 3.655 1.00 0.00 C ATOM 626 O TYR A 41 8.186 -2.559 4.002 1.00 0.00 O ATOM 627 CB TYR A 41 7.616 -1.013 1.595 1.00 0.00 C ATOM 628 CG TYR A 41 7.760 0.372 1.006 1.00 0.00 C ATOM 629 CD1 TYR A 41 6.825 0.866 0.105 1.00 0.00 C ATOM 630 CD2 TYR A 41 8.832 1.187 1.350 1.00 0.00 C ATOM 631 CE1 TYR A 41 6.953 2.130 -0.436 1.00 0.00 C ATOM 632 CE2 TYR A 41 8.967 2.453 0.815 1.00 0.00 C ATOM 633 CZ TYR A 41 8.025 2.920 -0.078 1.00 0.00 C ATOM 634 OH TYR A 41 8.157 4.181 -0.614 1.00 0.00 O ATOM 0 H TYR A 41 7.715 0.154 4.214 1.00 0.00 H new ATOM 0 HA TYR A 41 5.673 -1.117 2.510 1.00 0.00 H new ATOM 0 HB2 TYR A 41 8.604 -1.390 1.861 1.00 0.00 H new ATOM 0 HB3 TYR A 41 7.214 -1.682 0.834 1.00 0.00 H new ATOM 0 HD1 TYR A 41 5.983 0.251 -0.177 1.00 0.00 H new ATOM 0 HD2 TYR A 41 9.572 0.824 2.048 1.00 0.00 H new ATOM 0 HE1 TYR A 41 6.217 2.498 -1.136 1.00 0.00 H new ATOM 0 HE2 TYR A 41 9.805 3.074 1.094 1.00 0.00 H new ATOM 0 HH TYR A 41 8.965 4.605 -0.257 1.00 0.00 H new ATOM 644 N LEU A 42 5.998 -3.081 3.965 1.00 0.00 N ATOM 645 CA LEU A 42 6.164 -4.301 4.749 1.00 0.00 C ATOM 646 C LEU A 42 6.860 -5.383 3.931 1.00 0.00 C ATOM 647 O LEU A 42 6.694 -5.459 2.713 1.00 0.00 O ATOM 648 CB LEU A 42 4.804 -4.807 5.234 1.00 0.00 C ATOM 649 CG LEU A 42 4.117 -3.962 6.307 1.00 0.00 C ATOM 650 CD1 LEU A 42 2.627 -4.263 6.349 1.00 0.00 C ATOM 651 CD2 LEU A 42 4.752 -4.208 7.668 1.00 0.00 C ATOM 0 H LEU A 42 5.036 -2.887 3.686 1.00 0.00 H new ATOM 0 HA LEU A 42 6.787 -4.068 5.612 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.138 -4.878 4.374 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.932 -5.817 5.623 1.00 0.00 H new ATOM 0 HG LEU A 42 4.248 -2.910 6.053 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.154 -3.653 7.118 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.182 -4.035 5.380 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.475 -5.318 6.578 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.250 -3.598 8.419 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.653 -5.261 7.931 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.808 -3.941 7.630 1.00 0.00 H new ATOM 663 N SER A 43 7.639 -6.221 4.608 1.00 0.00 N ATOM 664 CA SER A 43 8.362 -7.299 3.944 1.00 0.00 C ATOM 665 C SER A 43 7.415 -8.430 3.555 1.00 0.00 C ATOM 666 O SER A 43 6.229 -8.406 3.888 1.00 0.00 O ATOM 667 CB SER A 43 9.468 -7.836 4.854 1.00 0.00 C ATOM 668 OG SER A 43 10.523 -8.402 4.095 1.00 0.00 O ATOM 0 H SER A 43 7.785 -6.174 5.616 1.00 0.00 H new ATOM 0 HA SER A 43 8.811 -6.896 3.036 1.00 0.00 H new ATOM 0 HB2 SER A 43 9.855 -7.029 5.476 1.00 0.00 H new ATOM 0 HB3 SER A 43 9.056 -8.588 5.527 1.00 0.00 H new ATOM 0 HG SER A 43 11.218 -8.736 4.700 1.00 0.00 H new ATOM 674 N THR A 44 7.946 -9.422 2.847 1.00 0.00 N ATOM 675 CA THR A 44 7.150 -10.562 2.411 1.00 0.00 C ATOM 676 C THR A 44 6.490 -11.257 3.596 1.00 0.00 C ATOM 677 O THR A 44 5.267 -11.374 3.677 1.00 0.00 O ATOM 678 CB THR A 44 8.007 -11.585 1.642 1.00 0.00 C ATOM 679 OG1 THR A 44 7.976 -11.295 0.240 1.00 0.00 O ATOM 680 CG2 THR A 44 7.506 -13.001 1.883 1.00 0.00 C ATOM 0 H THR A 44 8.925 -9.459 2.563 1.00 0.00 H new ATOM 0 HA THR A 44 6.379 -10.173 1.746 1.00 0.00 H new ATOM 0 HB THR A 44 9.032 -11.513 2.005 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.525 -11.949 -0.242 1.00 0.00 H new ATOM 0 HG21 THR A 44 8.127 -13.706 1.330 1.00 0.00 H new ATOM 0 HG22 THR A 44 7.559 -13.229 2.948 1.00 0.00 H new ATOM 0 HG23 THR A 44 6.473 -13.084 1.545 1.00 0.00 H new ATOM 688 N PRO A 45 7.317 -11.731 4.541 1.00 0.00 N ATOM 689 CA PRO A 45 6.835 -12.422 5.740 1.00 0.00 C ATOM 690 C PRO A 45 6.117 -11.482 6.702 1.00 0.00 C ATOM 691 O PRO A 45 5.178 -11.882 7.391 1.00 0.00 O ATOM 692 CB PRO A 45 8.118 -12.962 6.378 1.00 0.00 C ATOM 693 CG PRO A 45 9.193 -12.052 5.894 1.00 0.00 C ATOM 694 CD PRO A 45 8.785 -11.627 4.510 1.00 0.00 C ATOM 0 HA PRO A 45 6.104 -13.194 5.499 1.00 0.00 H new ATOM 0 HB2 PRO A 45 8.053 -12.954 7.466 1.00 0.00 H new ATOM 0 HB3 PRO A 45 8.306 -13.993 6.077 1.00 0.00 H new ATOM 0 HG2 PRO A 45 9.299 -11.189 6.552 1.00 0.00 H new ATOM 0 HG3 PRO A 45 10.157 -12.561 5.878 1.00 0.00 H new ATOM 0 HD2 PRO A 45 9.111 -10.611 4.289 1.00 0.00 H new ATOM 0 HD3 PRO A 45 9.218 -12.274 3.747 1.00 0.00 H new ATOM 702 N ASP A 46 6.564 -10.232 6.744 1.00 0.00 N ATOM 703 CA ASP A 46 5.962 -9.234 7.621 1.00 0.00 C ATOM 704 C ASP A 46 4.500 -8.999 7.254 1.00 0.00 C ATOM 705 O ASP A 46 3.605 -9.190 8.077 1.00 0.00 O ATOM 706 CB ASP A 46 6.739 -7.919 7.541 1.00 0.00 C ATOM 707 CG ASP A 46 7.911 -7.880 8.501 1.00 0.00 C ATOM 708 OD1 ASP A 46 7.754 -8.347 9.648 1.00 0.00 O ATOM 709 OD2 ASP A 46 8.986 -7.380 8.106 1.00 0.00 O ATOM 0 H ASP A 46 7.341 -9.885 6.181 1.00 0.00 H new ATOM 0 HA ASP A 46 6.005 -9.611 8.643 1.00 0.00 H new ATOM 0 HB2 ASP A 46 7.102 -7.776 6.523 1.00 0.00 H new ATOM 0 HB3 ASP A 46 6.067 -7.089 7.759 1.00 0.00 H new ATOM 714 N ARG A 47 4.266 -8.582 6.014 1.00 0.00 N ATOM 715 CA ARG A 47 2.913 -8.319 5.538 1.00 0.00 C ATOM 716 C ARG A 47 1.962 -9.435 5.959 1.00 0.00 C ATOM 717 O ARG A 47 0.803 -9.184 6.290 1.00 0.00 O ATOM 718 CB ARG A 47 2.904 -8.173 4.016 1.00 0.00 C ATOM 719 CG ARG A 47 1.521 -7.927 3.436 1.00 0.00 C ATOM 720 CD ARG A 47 1.582 -7.672 1.938 1.00 0.00 C ATOM 721 NE ARG A 47 2.445 -6.541 1.610 1.00 0.00 N ATOM 722 CZ ARG A 47 3.760 -6.642 1.450 1.00 0.00 C ATOM 723 NH1 ARG A 47 4.359 -7.817 1.587 1.00 0.00 N ATOM 724 NH2 ARG A 47 4.478 -5.566 1.153 1.00 0.00 N ATOM 0 H ARG A 47 4.996 -8.419 5.321 1.00 0.00 H new ATOM 0 HA ARG A 47 2.572 -7.386 5.987 1.00 0.00 H new ATOM 0 HB2 ARG A 47 3.559 -7.348 3.735 1.00 0.00 H new ATOM 0 HB3 ARG A 47 3.320 -9.076 3.570 1.00 0.00 H new ATOM 0 HG2 ARG A 47 0.884 -8.789 3.634 1.00 0.00 H new ATOM 0 HG3 ARG A 47 1.064 -7.072 3.933 1.00 0.00 H new ATOM 0 HD2 ARG A 47 1.948 -8.566 1.433 1.00 0.00 H new ATOM 0 HD3 ARG A 47 0.577 -7.482 1.561 1.00 0.00 H new ATOM 0 HE ARG A 47 2.015 -5.623 1.498 1.00 0.00 H new ATOM 0 HH11 ARG A 47 3.810 -8.646 1.816 1.00 0.00 H new ATOM 0 HH12 ARG A 47 5.369 -7.892 1.464 1.00 0.00 H new ATOM 0 HH21 ARG A 47 4.020 -4.661 1.047 1.00 0.00 H new ATOM 0 HH22 ARG A 47 5.488 -5.644 1.030 1.00 0.00 H new ATOM 738 N ILE A 48 2.460 -10.667 5.943 1.00 0.00 N ATOM 739 CA ILE A 48 1.655 -11.821 6.324 1.00 0.00 C ATOM 740 C ILE A 48 1.282 -11.768 7.801 1.00 0.00 C ATOM 741 O ILE A 48 0.102 -11.756 8.154 1.00 0.00 O ATOM 742 CB ILE A 48 2.395 -13.141 6.039 1.00 0.00 C ATOM 743 CG1 ILE A 48 2.730 -13.253 4.551 1.00 0.00 C ATOM 744 CG2 ILE A 48 1.553 -14.327 6.489 1.00 0.00 C ATOM 745 CD1 ILE A 48 3.666 -14.397 4.227 1.00 0.00 C ATOM 0 H ILE A 48 3.417 -10.892 5.670 1.00 0.00 H new ATOM 0 HA ILE A 48 0.747 -11.786 5.722 1.00 0.00 H new ATOM 0 HB ILE A 48 3.328 -13.147 6.603 1.00 0.00 H new ATOM 0 HG12 ILE A 48 1.806 -13.380 3.987 1.00 0.00 H new ATOM 0 HG13 ILE A 48 3.182 -12.319 4.217 1.00 0.00 H new ATOM 0 HG21 ILE A 48 2.089 -15.253 6.281 1.00 0.00 H new ATOM 0 HG22 ILE A 48 1.360 -14.251 7.559 1.00 0.00 H new ATOM 0 HG23 ILE A 48 0.606 -14.327 5.949 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.860 -14.416 3.155 1.00 0.00 H new ATOM 0 HD12 ILE A 48 4.605 -14.262 4.763 1.00 0.00 H new ATOM 0 HD13 ILE A 48 3.208 -15.339 4.530 1.00 0.00 H new ATOM 757 N ASP A 49 2.294 -11.734 8.661 1.00 0.00 N ATOM 758 CA ASP A 49 2.073 -11.679 10.101 1.00 0.00 C ATOM 759 C ASP A 49 0.948 -10.707 10.441 1.00 0.00 C ATOM 760 O ASP A 49 0.019 -11.048 11.175 1.00 0.00 O ATOM 761 CB ASP A 49 3.358 -11.264 10.820 1.00 0.00 C ATOM 762 CG ASP A 49 3.369 -11.687 12.276 1.00 0.00 C ATOM 763 OD1 ASP A 49 2.776 -10.968 13.108 1.00 0.00 O ATOM 764 OD2 ASP A 49 3.970 -12.738 12.583 1.00 0.00 O ATOM 0 H ASP A 49 3.276 -11.744 8.385 1.00 0.00 H new ATOM 0 HA ASP A 49 1.783 -12.674 10.438 1.00 0.00 H new ATOM 0 HB2 ASP A 49 4.215 -11.705 10.310 1.00 0.00 H new ATOM 0 HB3 ASP A 49 3.472 -10.182 10.758 1.00 0.00 H new ATOM 769 N LEU A 50 1.038 -9.495 9.905 1.00 0.00 N ATOM 770 CA LEU A 50 0.028 -8.472 10.152 1.00 0.00 C ATOM 771 C LEU A 50 -1.350 -8.946 9.700 1.00 0.00 C ATOM 772 O LEU A 50 -2.273 -9.060 10.505 1.00 0.00 O ATOM 773 CB LEU A 50 0.397 -7.177 9.427 1.00 0.00 C ATOM 774 CG LEU A 50 -0.739 -6.173 9.225 1.00 0.00 C ATOM 775 CD1 LEU A 50 -1.139 -5.545 10.552 1.00 0.00 C ATOM 776 CD2 LEU A 50 -0.331 -5.100 8.227 1.00 0.00 C ATOM 0 H LEU A 50 1.800 -9.197 9.296 1.00 0.00 H new ATOM 0 HA LEU A 50 -0.007 -8.283 11.225 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.194 -6.686 9.986 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.805 -7.435 8.450 1.00 0.00 H new ATOM 0 HG LEU A 50 -1.601 -6.705 8.824 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -1.948 -4.833 10.389 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.474 -6.324 11.237 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -0.282 -5.027 10.982 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.151 -4.394 8.096 1.00 0.00 H new ATOM 0 HD22 LEU A 50 0.546 -4.571 8.600 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.095 -5.564 7.270 1.00 0.00 H new ATOM 788 N ALA A 51 -1.479 -9.223 8.406 1.00 0.00 N ATOM 789 CA ALA A 51 -2.742 -9.689 7.847 1.00 0.00 C ATOM 790 C ALA A 51 -3.408 -10.706 8.768 1.00 0.00 C ATOM 791 O ALA A 51 -4.634 -10.793 8.829 1.00 0.00 O ATOM 792 CB ALA A 51 -2.519 -10.290 6.467 1.00 0.00 C ATOM 0 H ALA A 51 -0.724 -9.133 7.726 1.00 0.00 H new ATOM 0 HA ALA A 51 -3.408 -8.831 7.754 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -3.471 -10.634 6.062 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -2.095 -9.535 5.806 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.832 -11.133 6.544 1.00 0.00 H new ATOM 798 N GLU A 52 -2.591 -11.475 9.482 1.00 0.00 N ATOM 799 CA GLU A 52 -3.102 -12.487 10.398 1.00 0.00 C ATOM 800 C GLU A 52 -3.648 -11.844 11.670 1.00 0.00 C ATOM 801 O GLU A 52 -4.688 -12.252 12.188 1.00 0.00 O ATOM 802 CB GLU A 52 -2.002 -13.489 10.752 1.00 0.00 C ATOM 803 CG GLU A 52 -1.930 -14.675 9.804 1.00 0.00 C ATOM 804 CD GLU A 52 -0.970 -15.747 10.282 1.00 0.00 C ATOM 805 OE1 GLU A 52 -0.025 -15.407 11.025 1.00 0.00 O ATOM 806 OE2 GLU A 52 -1.162 -16.924 9.913 1.00 0.00 O ATOM 0 H GLU A 52 -1.573 -11.416 9.443 1.00 0.00 H new ATOM 0 HA GLU A 52 -3.916 -13.013 9.899 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -1.041 -12.975 10.751 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -2.168 -13.854 11.766 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -2.925 -15.107 9.692 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -1.620 -14.329 8.818 1.00 0.00 H new ATOM 813 N SER A 53 -2.938 -10.837 12.168 1.00 0.00 N ATOM 814 CA SER A 53 -3.348 -10.140 13.382 1.00 0.00 C ATOM 815 C SER A 53 -4.712 -9.481 13.196 1.00 0.00 C ATOM 816 O SER A 53 -5.583 -9.574 14.061 1.00 0.00 O ATOM 817 CB SER A 53 -2.308 -9.086 13.766 1.00 0.00 C ATOM 818 OG SER A 53 -2.646 -8.457 14.990 1.00 0.00 O ATOM 0 H SER A 53 -2.077 -10.485 11.750 1.00 0.00 H new ATOM 0 HA SER A 53 -3.425 -10.874 14.184 1.00 0.00 H new ATOM 0 HB2 SER A 53 -1.327 -9.553 13.853 1.00 0.00 H new ATOM 0 HB3 SER A 53 -2.236 -8.338 12.977 1.00 0.00 H new ATOM 0 HG SER A 53 -1.965 -7.789 15.214 1.00 0.00 H new ATOM 824 N LEU A 54 -4.889 -8.814 12.060 1.00 0.00 N ATOM 825 CA LEU A 54 -6.146 -8.138 11.758 1.00 0.00 C ATOM 826 C LEU A 54 -7.107 -9.075 11.032 1.00 0.00 C ATOM 827 O LEU A 54 -8.323 -8.901 11.092 1.00 0.00 O ATOM 828 CB LEU A 54 -5.887 -6.894 10.907 1.00 0.00 C ATOM 829 CG LEU A 54 -4.993 -5.825 11.535 1.00 0.00 C ATOM 830 CD1 LEU A 54 -4.533 -4.828 10.482 1.00 0.00 C ATOM 831 CD2 LEU A 54 -5.724 -5.114 12.663 1.00 0.00 C ATOM 0 H LEU A 54 -4.178 -8.727 11.334 1.00 0.00 H new ATOM 0 HA LEU A 54 -6.604 -7.837 12.700 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -5.436 -7.209 9.966 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -6.847 -6.439 10.663 1.00 0.00 H new ATOM 0 HG LEU A 54 -4.112 -6.314 11.952 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -3.898 -4.074 10.947 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.970 -5.350 9.708 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -5.401 -4.344 10.035 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -5.072 -4.356 13.098 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -6.623 -4.638 12.271 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -6.002 -5.837 13.429 1.00 0.00 H new ATOM 843 N GLY A 55 -6.551 -10.070 10.348 1.00 0.00 N ATOM 844 CA GLY A 55 -7.373 -11.021 9.622 1.00 0.00 C ATOM 845 C GLY A 55 -7.651 -10.579 8.198 1.00 0.00 C ATOM 846 O GLY A 55 -8.709 -10.876 7.643 1.00 0.00 O ATOM 0 H GLY A 55 -5.546 -10.235 10.283 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -6.875 -11.990 9.608 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -8.318 -11.156 10.148 1.00 0.00 H new ATOM 850 N LEU A 56 -6.699 -9.867 7.606 1.00 0.00 N ATOM 851 CA LEU A 56 -6.846 -9.382 6.238 1.00 0.00 C ATOM 852 C LEU A 56 -6.085 -10.272 5.260 1.00 0.00 C ATOM 853 O LEU A 56 -5.455 -11.252 5.658 1.00 0.00 O ATOM 854 CB LEU A 56 -6.344 -7.941 6.130 1.00 0.00 C ATOM 855 CG LEU A 56 -7.216 -6.875 6.794 1.00 0.00 C ATOM 856 CD1 LEU A 56 -6.480 -5.545 6.856 1.00 0.00 C ATOM 857 CD2 LEU A 56 -8.534 -6.723 6.048 1.00 0.00 C ATOM 0 H LEU A 56 -5.817 -9.613 8.051 1.00 0.00 H new ATOM 0 HA LEU A 56 -7.905 -9.412 5.980 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -5.347 -7.891 6.568 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -6.241 -7.691 5.074 1.00 0.00 H new ATOM 0 HG LEU A 56 -7.433 -7.194 7.813 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -7.116 -4.799 7.332 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -5.564 -5.663 7.435 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -6.232 -5.219 5.846 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -9.142 -5.960 6.535 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -8.337 -6.427 5.018 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -9.069 -7.673 6.057 1.00 0.00 H new ATOM 869 N SER A 57 -6.146 -9.922 3.979 1.00 0.00 N ATOM 870 CA SER A 57 -5.465 -10.690 2.943 1.00 0.00 C ATOM 871 C SER A 57 -4.210 -9.965 2.467 1.00 0.00 C ATOM 872 O SER A 57 -4.239 -8.765 2.196 1.00 0.00 O ATOM 873 CB SER A 57 -6.404 -10.937 1.761 1.00 0.00 C ATOM 874 OG SER A 57 -7.349 -11.949 2.064 1.00 0.00 O ATOM 0 H SER A 57 -6.660 -9.111 3.634 1.00 0.00 H new ATOM 0 HA SER A 57 -5.171 -11.649 3.370 1.00 0.00 H new ATOM 0 HB2 SER A 57 -6.924 -10.014 1.506 1.00 0.00 H new ATOM 0 HB3 SER A 57 -5.823 -11.227 0.886 1.00 0.00 H new ATOM 0 HG SER A 57 -7.939 -12.087 1.294 1.00 0.00 H new ATOM 880 N GLN A 58 -3.109 -10.704 2.368 1.00 0.00 N ATOM 881 CA GLN A 58 -1.843 -10.132 1.926 1.00 0.00 C ATOM 882 C GLN A 58 -2.070 -9.072 0.853 1.00 0.00 C ATOM 883 O GLN A 58 -1.410 -8.032 0.843 1.00 0.00 O ATOM 884 CB GLN A 58 -0.923 -11.229 1.388 1.00 0.00 C ATOM 885 CG GLN A 58 -0.610 -12.313 2.407 1.00 0.00 C ATOM 886 CD GLN A 58 0.301 -13.390 1.852 1.00 0.00 C ATOM 887 OE1 GLN A 58 -0.088 -14.554 1.745 1.00 0.00 O ATOM 888 NE2 GLN A 58 1.521 -13.008 1.494 1.00 0.00 N ATOM 0 H GLN A 58 -3.069 -11.699 2.588 1.00 0.00 H new ATOM 0 HA GLN A 58 -1.368 -9.658 2.785 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -1.388 -11.686 0.515 1.00 0.00 H new ATOM 0 HB3 GLN A 58 0.010 -10.777 1.052 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -0.141 -11.860 3.281 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -1.541 -12.768 2.745 1.00 0.00 H new ATOM 0 HE21 GLN A 58 1.802 -12.033 1.600 1.00 0.00 H new ATOM 0 HE22 GLN A 58 2.178 -13.689 1.113 1.00 0.00 H new ATOM 897 N LEU A 59 -3.007 -9.342 -0.049 1.00 0.00 N ATOM 898 CA LEU A 59 -3.321 -8.411 -1.128 1.00 0.00 C ATOM 899 C LEU A 59 -3.663 -7.031 -0.574 1.00 0.00 C ATOM 900 O LEU A 59 -3.165 -6.017 -1.060 1.00 0.00 O ATOM 901 CB LEU A 59 -4.488 -8.942 -1.963 1.00 0.00 C ATOM 902 CG LEU A 59 -5.035 -7.994 -3.031 1.00 0.00 C ATOM 903 CD1 LEU A 59 -4.025 -7.815 -4.153 1.00 0.00 C ATOM 904 CD2 LEU A 59 -6.356 -8.514 -3.578 1.00 0.00 C ATOM 0 H LEU A 59 -3.563 -10.197 -0.055 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.440 -8.319 -1.763 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -4.170 -9.863 -2.452 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.302 -9.205 -1.287 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.212 -7.022 -2.571 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -4.431 -7.137 -4.904 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.103 -7.398 -3.749 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.816 -8.781 -4.612 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -6.731 -7.827 -4.337 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -6.204 -9.498 -4.022 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -7.081 -8.590 -2.767 1.00 0.00 H new ATOM 916 N GLN A 60 -4.515 -7.003 0.446 1.00 0.00 N ATOM 917 CA GLN A 60 -4.922 -5.748 1.066 1.00 0.00 C ATOM 918 C GLN A 60 -3.716 -4.848 1.315 1.00 0.00 C ATOM 919 O GLN A 60 -3.567 -3.803 0.681 1.00 0.00 O ATOM 920 CB GLN A 60 -5.651 -6.019 2.384 1.00 0.00 C ATOM 921 CG GLN A 60 -6.940 -6.807 2.215 1.00 0.00 C ATOM 922 CD GLN A 60 -8.069 -5.966 1.653 1.00 0.00 C ATOM 923 OE1 GLN A 60 -7.911 -5.295 0.633 1.00 0.00 O ATOM 924 NE2 GLN A 60 -9.218 -5.996 2.319 1.00 0.00 N ATOM 0 H GLN A 60 -4.936 -7.835 0.860 1.00 0.00 H new ATOM 0 HA GLN A 60 -5.599 -5.237 0.382 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -4.985 -6.566 3.052 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -5.877 -5.068 2.867 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -6.759 -7.654 1.554 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -7.241 -7.215 3.180 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -9.305 -6.566 3.160 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -10.013 -5.449 1.989 1.00 0.00 H new ATOM 933 N VAL A 61 -2.857 -5.259 2.242 1.00 0.00 N ATOM 934 CA VAL A 61 -1.664 -4.490 2.574 1.00 0.00 C ATOM 935 C VAL A 61 -0.950 -4.013 1.314 1.00 0.00 C ATOM 936 O VAL A 61 -0.595 -2.840 1.195 1.00 0.00 O ATOM 937 CB VAL A 61 -0.682 -5.317 3.425 1.00 0.00 C ATOM 938 CG1 VAL A 61 0.382 -4.419 4.037 1.00 0.00 C ATOM 939 CG2 VAL A 61 -1.429 -6.084 4.505 1.00 0.00 C ATOM 0 H VAL A 61 -2.965 -6.121 2.777 1.00 0.00 H new ATOM 0 HA VAL A 61 -1.994 -3.626 3.151 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.185 -6.038 2.776 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.066 -5.021 4.635 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.937 -3.919 3.243 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -0.094 -3.672 4.673 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.720 -6.663 5.097 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.954 -5.382 5.153 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.149 -6.758 4.041 1.00 0.00 H new ATOM 949 N LYS A 62 -0.742 -4.929 0.375 1.00 0.00 N ATOM 950 CA LYS A 62 -0.071 -4.603 -0.878 1.00 0.00 C ATOM 951 C LYS A 62 -0.747 -3.421 -1.564 1.00 0.00 C ATOM 952 O LYS A 62 -0.132 -2.373 -1.769 1.00 0.00 O ATOM 953 CB LYS A 62 -0.071 -5.816 -1.811 1.00 0.00 C ATOM 954 CG LYS A 62 0.966 -5.733 -2.917 1.00 0.00 C ATOM 955 CD LYS A 62 0.815 -6.873 -3.911 1.00 0.00 C ATOM 956 CE LYS A 62 1.505 -6.558 -5.229 1.00 0.00 C ATOM 957 NZ LYS A 62 2.977 -6.769 -5.148 1.00 0.00 N ATOM 0 H LYS A 62 -1.029 -5.904 0.458 1.00 0.00 H new ATOM 0 HA LYS A 62 0.959 -4.328 -0.650 1.00 0.00 H new ATOM 0 HB2 LYS A 62 0.109 -6.716 -1.223 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.060 -5.920 -2.258 1.00 0.00 H new ATOM 0 HG2 LYS A 62 0.869 -4.780 -3.437 1.00 0.00 H new ATOM 0 HG3 LYS A 62 1.965 -5.758 -2.482 1.00 0.00 H new ATOM 0 HD2 LYS A 62 1.236 -7.785 -3.487 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -0.243 -7.064 -4.090 1.00 0.00 H new ATOM 0 HE2 LYS A 62 1.090 -7.188 -6.016 1.00 0.00 H new ATOM 0 HE3 LYS A 62 1.301 -5.524 -5.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 3.411 -6.544 -6.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 3.377 -6.149 -4.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 3.173 -7.762 -4.907 1.00 0.00 H new ATOM 971 N THR A 63 -2.017 -3.593 -1.917 1.00 0.00 N ATOM 972 CA THR A 63 -2.776 -2.541 -2.581 1.00 0.00 C ATOM 973 C THR A 63 -2.932 -1.323 -1.677 1.00 0.00 C ATOM 974 O THR A 63 -2.447 -0.237 -1.995 1.00 0.00 O ATOM 975 CB THR A 63 -4.173 -3.035 -3.001 1.00 0.00 C ATOM 976 OG1 THR A 63 -4.051 -4.170 -3.866 1.00 0.00 O ATOM 977 CG2 THR A 63 -4.947 -1.933 -3.709 1.00 0.00 C ATOM 0 H THR A 63 -2.542 -4.452 -1.754 1.00 0.00 H new ATOM 0 HA THR A 63 -2.215 -2.261 -3.472 1.00 0.00 H new ATOM 0 HB THR A 63 -4.719 -3.320 -2.102 1.00 0.00 H new ATOM 0 HG1 THR A 63 -4.943 -4.479 -4.127 1.00 0.00 H new ATOM 0 HG21 THR A 63 -5.930 -2.306 -3.996 1.00 0.00 H new ATOM 0 HG22 THR A 63 -5.063 -1.082 -3.039 1.00 0.00 H new ATOM 0 HG23 THR A 63 -4.403 -1.621 -4.600 1.00 0.00 H new ATOM 985 N TRP A 64 -3.609 -1.511 -0.550 1.00 0.00 N ATOM 986 CA TRP A 64 -3.827 -0.426 0.400 1.00 0.00 C ATOM 987 C TRP A 64 -2.598 0.470 0.495 1.00 0.00 C ATOM 988 O TRP A 64 -2.709 1.697 0.487 1.00 0.00 O ATOM 989 CB TRP A 64 -4.170 -0.990 1.779 1.00 0.00 C ATOM 990 CG TRP A 64 -4.756 0.029 2.709 1.00 0.00 C ATOM 991 CD1 TRP A 64 -6.027 0.528 2.683 1.00 0.00 C ATOM 992 CD2 TRP A 64 -4.092 0.675 3.801 1.00 0.00 C ATOM 993 NE1 TRP A 64 -6.193 1.445 3.693 1.00 0.00 N ATOM 994 CE2 TRP A 64 -5.020 1.552 4.394 1.00 0.00 C ATOM 995 CE3 TRP A 64 -2.803 0.595 4.337 1.00 0.00 C ATOM 996 CZ2 TRP A 64 -4.700 2.344 5.493 1.00 0.00 C ATOM 997 CZ3 TRP A 64 -2.486 1.382 5.428 1.00 0.00 C ATOM 998 CH2 TRP A 64 -3.431 2.246 5.997 1.00 0.00 C ATOM 0 H TRP A 64 -4.016 -2.404 -0.272 1.00 0.00 H new ATOM 0 HA TRP A 64 -4.664 0.174 0.042 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -4.875 -1.813 1.662 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -3.268 -1.405 2.228 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -6.790 0.244 1.973 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -7.050 1.962 3.889 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -2.069 -0.070 3.906 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -5.427 3.012 5.932 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -1.493 1.330 5.849 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -3.153 2.847 6.850 1.00 0.00 H new ATOM 1009 N TYR A 65 -1.426 -0.148 0.584 1.00 0.00 N ATOM 1010 CA TYR A 65 -0.175 0.594 0.683 1.00 0.00 C ATOM 1011 C TYR A 65 0.048 1.454 -0.557 1.00 0.00 C ATOM 1012 O TYR A 65 0.195 2.672 -0.462 1.00 0.00 O ATOM 1013 CB TYR A 65 1.000 -0.367 0.868 1.00 0.00 C ATOM 1014 CG TYR A 65 1.332 -0.647 2.317 1.00 0.00 C ATOM 1015 CD1 TYR A 65 0.343 -1.030 3.215 1.00 0.00 C ATOM 1016 CD2 TYR A 65 2.634 -0.528 2.787 1.00 0.00 C ATOM 1017 CE1 TYR A 65 0.641 -1.286 4.539 1.00 0.00 C ATOM 1018 CE2 TYR A 65 2.941 -0.784 4.109 1.00 0.00 C ATOM 1019 CZ TYR A 65 1.942 -1.161 4.982 1.00 0.00 C ATOM 1020 OH TYR A 65 2.243 -1.416 6.300 1.00 0.00 O ATOM 0 H TYR A 65 -1.316 -1.162 0.590 1.00 0.00 H new ATOM 0 HA TYR A 65 -0.240 1.250 1.551 1.00 0.00 H new ATOM 0 HB2 TYR A 65 0.771 -1.308 0.368 1.00 0.00 H new ATOM 0 HB3 TYR A 65 1.879 0.049 0.376 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -0.676 -1.129 2.872 1.00 0.00 H new ATOM 0 HD2 TYR A 65 3.419 -0.230 2.107 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -0.140 -1.582 5.224 1.00 0.00 H new ATOM 0 HE2 TYR A 65 3.959 -0.689 4.458 1.00 0.00 H new ATOM 0 HH TYR A 65 1.422 -1.640 6.786 1.00 0.00 H new ATOM 1030 N GLN A 66 0.070 0.810 -1.720 1.00 0.00 N ATOM 1031 CA GLN A 66 0.275 1.515 -2.980 1.00 0.00 C ATOM 1032 C GLN A 66 -0.683 2.695 -3.104 1.00 0.00 C ATOM 1033 O GLN A 66 -0.258 3.834 -3.295 1.00 0.00 O ATOM 1034 CB GLN A 66 0.083 0.561 -4.159 1.00 0.00 C ATOM 1035 CG GLN A 66 1.293 -0.317 -4.435 1.00 0.00 C ATOM 1036 CD GLN A 66 1.086 -1.243 -5.617 1.00 0.00 C ATOM 1037 OE1 GLN A 66 0.740 -2.413 -5.451 1.00 0.00 O ATOM 1038 NE2 GLN A 66 1.296 -0.722 -6.821 1.00 0.00 N ATOM 0 H GLN A 66 -0.052 -0.198 -1.816 1.00 0.00 H new ATOM 0 HA GLN A 66 1.296 1.896 -2.993 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -0.780 -0.075 -3.964 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -0.145 1.142 -5.052 1.00 0.00 H new ATOM 0 HG2 GLN A 66 2.161 0.316 -4.622 1.00 0.00 H new ATOM 0 HG3 GLN A 66 1.516 -0.910 -3.548 1.00 0.00 H new ATOM 0 HE21 GLN A 66 1.582 0.253 -6.912 1.00 0.00 H new ATOM 0 HE22 GLN A 66 1.171 -1.297 -7.654 1.00 0.00 H new ATOM 1047 N ASN A 67 -1.978 2.415 -2.995 1.00 0.00 N ATOM 1048 CA ASN A 67 -2.996 3.454 -3.097 1.00 0.00 C ATOM 1049 C ASN A 67 -2.703 4.599 -2.132 1.00 0.00 C ATOM 1050 O ASN A 67 -2.792 5.771 -2.499 1.00 0.00 O ATOM 1051 CB ASN A 67 -4.381 2.870 -2.808 1.00 0.00 C ATOM 1052 CG ASN A 67 -4.712 1.695 -3.708 1.00 0.00 C ATOM 1053 OD1 ASN A 67 -3.861 1.212 -4.455 1.00 0.00 O ATOM 1054 ND2 ASN A 67 -5.954 1.230 -3.640 1.00 0.00 N ATOM 0 H ASN A 67 -2.347 1.477 -2.836 1.00 0.00 H new ATOM 0 HA ASN A 67 -2.979 3.846 -4.114 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -4.428 2.551 -1.767 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -5.134 3.647 -2.938 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -6.236 0.441 -4.222 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -6.626 1.662 -3.006 1.00 0.00 H new ATOM 1061 N ARG A 68 -2.354 4.251 -0.898 1.00 0.00 N ATOM 1062 CA ARG A 68 -2.049 5.249 0.120 1.00 0.00 C ATOM 1063 C ARG A 68 -0.907 6.155 -0.333 1.00 0.00 C ATOM 1064 O ARG A 68 -0.993 7.378 -0.225 1.00 0.00 O ATOM 1065 CB ARG A 68 -1.681 4.567 1.439 1.00 0.00 C ATOM 1066 CG ARG A 68 -2.882 4.045 2.210 1.00 0.00 C ATOM 1067 CD ARG A 68 -3.444 5.102 3.148 1.00 0.00 C ATOM 1068 NE ARG A 68 -4.859 4.883 3.434 1.00 0.00 N ATOM 1069 CZ ARG A 68 -5.841 5.283 2.634 1.00 0.00 C ATOM 1070 NH1 ARG A 68 -5.563 5.920 1.504 1.00 0.00 N ATOM 1071 NH2 ARG A 68 -7.105 5.047 2.963 1.00 0.00 N ATOM 0 H ARG A 68 -2.275 3.285 -0.579 1.00 0.00 H new ATOM 0 HA ARG A 68 -2.938 5.861 0.272 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -1.004 3.738 1.233 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -1.138 5.275 2.065 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -3.656 3.729 1.510 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -2.593 3.164 2.784 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -2.880 5.095 4.081 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -3.312 6.088 2.703 1.00 0.00 H new ATOM 0 HE ARG A 68 -5.107 4.396 4.295 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -4.593 6.104 1.247 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -6.319 6.226 0.892 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -7.323 4.558 3.831 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -7.858 5.355 2.348 1.00 0.00 H new ATOM 1085 N ARG A 69 0.161 5.546 -0.838 1.00 0.00 N ATOM 1086 CA ARG A 69 1.319 6.297 -1.304 1.00 0.00 C ATOM 1087 C ARG A 69 0.889 7.482 -2.165 1.00 0.00 C ATOM 1088 O ARG A 69 1.339 8.608 -1.957 1.00 0.00 O ATOM 1089 CB ARG A 69 2.256 5.388 -2.102 1.00 0.00 C ATOM 1090 CG ARG A 69 3.048 4.421 -1.237 1.00 0.00 C ATOM 1091 CD ARG A 69 3.871 3.462 -2.084 1.00 0.00 C ATOM 1092 NE ARG A 69 5.032 4.117 -2.681 1.00 0.00 N ATOM 1093 CZ ARG A 69 4.985 4.800 -3.820 1.00 0.00 C ATOM 1094 NH1 ARG A 69 3.841 4.916 -4.480 1.00 0.00 N ATOM 1095 NH2 ARG A 69 6.084 5.368 -4.299 1.00 0.00 N ATOM 0 H ARG A 69 0.248 4.534 -0.935 1.00 0.00 H new ATOM 0 HA ARG A 69 1.849 6.677 -0.431 1.00 0.00 H new ATOM 0 HB2 ARG A 69 1.670 4.820 -2.824 1.00 0.00 H new ATOM 0 HB3 ARG A 69 2.951 6.006 -2.671 1.00 0.00 H new ATOM 0 HG2 ARG A 69 3.708 4.981 -0.574 1.00 0.00 H new ATOM 0 HG3 ARG A 69 2.365 3.855 -0.604 1.00 0.00 H new ATOM 0 HD2 ARG A 69 4.203 2.627 -1.467 1.00 0.00 H new ATOM 0 HD3 ARG A 69 3.244 3.046 -2.873 1.00 0.00 H new ATOM 0 HE ARG A 69 5.927 4.046 -2.197 1.00 0.00 H new ATOM 0 HH11 ARG A 69 2.994 4.481 -4.114 1.00 0.00 H new ATOM 0 HH12 ARG A 69 3.807 5.441 -5.354 1.00 0.00 H new ATOM 0 HH21 ARG A 69 6.965 5.281 -3.793 1.00 0.00 H new ATOM 0 HH22 ARG A 69 6.048 5.892 -5.173 1.00 0.00 H new ATOM 1109 N MET A 70 0.015 7.218 -3.131 1.00 0.00 N ATOM 1110 CA MET A 70 -0.476 8.263 -4.022 1.00 0.00 C ATOM 1111 C MET A 70 -0.849 9.516 -3.237 1.00 0.00 C ATOM 1112 O MET A 70 -0.449 10.625 -3.591 1.00 0.00 O ATOM 1113 CB MET A 70 -1.687 7.762 -4.811 1.00 0.00 C ATOM 1114 CG MET A 70 -1.390 6.545 -5.672 1.00 0.00 C ATOM 1115 SD MET A 70 -2.740 6.146 -6.800 1.00 0.00 S ATOM 1116 CE MET A 70 -2.579 4.365 -6.904 1.00 0.00 C ATOM 0 H MET A 70 -0.367 6.291 -3.317 1.00 0.00 H new ATOM 0 HA MET A 70 0.323 8.517 -4.719 1.00 0.00 H new ATOM 0 HB2 MET A 70 -2.488 7.517 -4.114 1.00 0.00 H new ATOM 0 HB3 MET A 70 -2.054 8.567 -5.448 1.00 0.00 H new ATOM 0 HG2 MET A 70 -0.482 6.725 -6.247 1.00 0.00 H new ATOM 0 HG3 MET A 70 -1.195 5.688 -5.028 1.00 0.00 H new ATOM 0 HE1 MET A 70 -2.555 4.062 -7.951 1.00 0.00 H new ATOM 0 HE2 MET A 70 -1.656 4.054 -6.415 1.00 0.00 H new ATOM 0 HE3 MET A 70 -3.428 3.893 -6.409 1.00 0.00 H new ATOM 1126 N LYS A 71 -1.618 9.333 -2.169 1.00 0.00 N ATOM 1127 CA LYS A 71 -2.045 10.448 -1.332 1.00 0.00 C ATOM 1128 C LYS A 71 -0.897 10.944 -0.459 1.00 0.00 C ATOM 1129 O LYS A 71 -0.680 12.148 -0.328 1.00 0.00 O ATOM 1130 CB LYS A 71 -3.225 10.029 -0.451 1.00 0.00 C ATOM 1131 CG LYS A 71 -4.134 11.183 -0.065 1.00 0.00 C ATOM 1132 CD LYS A 71 -5.121 10.776 1.016 1.00 0.00 C ATOM 1133 CE LYS A 71 -5.740 11.991 1.691 1.00 0.00 C ATOM 1134 NZ LYS A 71 -6.210 11.680 3.070 1.00 0.00 N ATOM 0 H LYS A 71 -1.959 8.422 -1.862 1.00 0.00 H new ATOM 0 HA LYS A 71 -2.358 11.261 -1.986 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -3.811 9.276 -0.977 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -2.843 9.560 0.455 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -3.531 12.020 0.287 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -4.678 11.529 -0.944 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -5.908 10.161 0.579 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -4.614 10.163 1.761 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -5.008 12.797 1.730 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -6.578 12.350 1.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -6.625 12.533 3.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -6.928 10.928 3.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -5.406 11.361 3.647 1.00 0.00 H new ATOM 1148 N TRP A 72 -0.164 10.008 0.134 1.00 0.00 N ATOM 1149 CA TRP A 72 0.964 10.351 0.994 1.00 0.00 C ATOM 1150 C TRP A 72 1.899 11.335 0.298 1.00 0.00 C ATOM 1151 O TRP A 72 2.290 12.349 0.875 1.00 0.00 O ATOM 1152 CB TRP A 72 1.732 9.090 1.389 1.00 0.00 C ATOM 1153 CG TRP A 72 3.135 9.365 1.839 1.00 0.00 C ATOM 1154 CD1 TRP A 72 3.517 10.054 2.955 1.00 0.00 C ATOM 1155 CD2 TRP A 72 4.341 8.960 1.183 1.00 0.00 C ATOM 1156 NE1 TRP A 72 4.888 10.102 3.032 1.00 0.00 N ATOM 1157 CE2 TRP A 72 5.417 9.437 1.957 1.00 0.00 C ATOM 1158 CE3 TRP A 72 4.617 8.238 0.019 1.00 0.00 C ATOM 1159 CZ2 TRP A 72 6.745 9.215 1.602 1.00 0.00 C ATOM 1160 CZ3 TRP A 72 5.936 8.020 -0.333 1.00 0.00 C ATOM 1161 CH2 TRP A 72 6.986 8.506 0.457 1.00 0.00 C ATOM 0 H TRP A 72 -0.330 9.006 0.035 1.00 0.00 H new ATOM 0 HA TRP A 72 0.572 10.825 1.894 1.00 0.00 H new ATOM 0 HB2 TRP A 72 1.194 8.582 2.190 1.00 0.00 H new ATOM 0 HB3 TRP A 72 1.758 8.408 0.539 1.00 0.00 H new ATOM 0 HD1 TRP A 72 2.841 10.496 3.672 1.00 0.00 H new ATOM 0 HE1 TRP A 72 5.425 10.558 3.770 1.00 0.00 H new ATOM 0 HE3 TRP A 72 3.814 7.857 -0.595 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 7.556 9.589 2.209 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 6.161 7.466 -1.232 1.00 0.00 H new ATOM 0 HH2 TRP A 72 8.006 8.317 0.156 1.00 0.00 H new ATOM 1172 N LYS A 73 2.254 11.028 -0.945 1.00 0.00 N ATOM 1173 CA LYS A 73 3.142 11.885 -1.720 1.00 0.00 C ATOM 1174 C LYS A 73 2.477 13.224 -2.026 1.00 0.00 C ATOM 1175 O LYS A 73 1.590 13.308 -2.875 1.00 0.00 O ATOM 1176 CB LYS A 73 3.542 11.193 -3.025 1.00 0.00 C ATOM 1177 CG LYS A 73 4.511 10.040 -2.830 1.00 0.00 C ATOM 1178 CD LYS A 73 5.271 9.727 -4.108 1.00 0.00 C ATOM 1179 CE LYS A 73 6.537 10.562 -4.223 1.00 0.00 C ATOM 1180 NZ LYS A 73 7.547 9.919 -5.107 1.00 0.00 N ATOM 0 H LYS A 73 1.940 10.192 -1.437 1.00 0.00 H new ATOM 0 HA LYS A 73 4.036 12.071 -1.125 1.00 0.00 H new ATOM 0 HB2 LYS A 73 2.644 10.822 -3.520 1.00 0.00 H new ATOM 0 HB3 LYS A 73 3.994 11.927 -3.692 1.00 0.00 H new ATOM 0 HG2 LYS A 73 5.217 10.287 -2.037 1.00 0.00 H new ATOM 0 HG3 LYS A 73 3.964 9.155 -2.505 1.00 0.00 H new ATOM 0 HD2 LYS A 73 5.529 8.668 -4.129 1.00 0.00 H new ATOM 0 HD3 LYS A 73 4.630 9.916 -4.969 1.00 0.00 H new ATOM 0 HE2 LYS A 73 6.287 11.548 -4.614 1.00 0.00 H new ATOM 0 HE3 LYS A 73 6.965 10.711 -3.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 8.395 10.519 -5.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 7.805 8.989 -4.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 7.148 9.799 -6.060 1.00 0.00 H new ATOM 1194 N LYS A 74 2.913 14.268 -1.329 1.00 0.00 N ATOM 1195 CA LYS A 74 2.362 15.604 -1.527 1.00 0.00 C ATOM 1196 C LYS A 74 3.112 16.343 -2.631 1.00 0.00 C ATOM 1197 O LYS A 74 3.337 17.550 -2.540 1.00 0.00 O ATOM 1198 CB LYS A 74 2.431 16.404 -0.225 1.00 0.00 C ATOM 1199 CG LYS A 74 3.846 16.759 0.197 1.00 0.00 C ATOM 1200 CD LYS A 74 3.907 17.166 1.660 1.00 0.00 C ATOM 1201 CE LYS A 74 4.018 15.953 2.571 1.00 0.00 C ATOM 1202 NZ LYS A 74 5.389 15.372 2.556 1.00 0.00 N ATOM 0 H LYS A 74 3.646 14.215 -0.622 1.00 0.00 H new ATOM 0 HA LYS A 74 1.319 15.500 -1.827 1.00 0.00 H new ATOM 0 HB2 LYS A 74 1.855 17.322 -0.341 1.00 0.00 H new ATOM 0 HB3 LYS A 74 1.957 15.829 0.570 1.00 0.00 H new ATOM 0 HG2 LYS A 74 4.502 15.905 0.029 1.00 0.00 H new ATOM 0 HG3 LYS A 74 4.218 17.574 -0.424 1.00 0.00 H new ATOM 0 HD2 LYS A 74 4.762 17.823 1.821 1.00 0.00 H new ATOM 0 HD3 LYS A 74 3.014 17.736 1.918 1.00 0.00 H new ATOM 0 HE2 LYS A 74 3.756 16.239 3.590 1.00 0.00 H new ATOM 0 HE3 LYS A 74 3.299 15.196 2.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 5.472 14.659 3.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 5.566 14.924 1.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 6.087 16.126 2.714 1.00 0.00 H new ATOM 1216 N SER A 75 3.494 15.612 -3.673 1.00 0.00 N ATOM 1217 CA SER A 75 4.221 16.198 -4.793 1.00 0.00 C ATOM 1218 C SER A 75 3.382 16.154 -6.067 1.00 0.00 C ATOM 1219 O SER A 75 3.476 15.213 -6.853 1.00 0.00 O ATOM 1220 CB SER A 75 5.543 15.461 -5.014 1.00 0.00 C ATOM 1221 OG SER A 75 6.527 16.328 -5.550 1.00 0.00 O ATOM 0 H SER A 75 3.312 14.613 -3.765 1.00 0.00 H new ATOM 0 HA SER A 75 4.431 17.240 -4.552 1.00 0.00 H new ATOM 0 HB2 SER A 75 5.895 15.047 -4.069 1.00 0.00 H new ATOM 0 HB3 SER A 75 5.386 14.621 -5.691 1.00 0.00 H new ATOM 0 HG SER A 75 7.363 15.833 -5.680 1.00 0.00 H new ATOM 1227 N GLY A 76 2.561 17.182 -6.264 1.00 0.00 N ATOM 1228 CA GLY A 76 1.718 17.242 -7.443 1.00 0.00 C ATOM 1229 C GLY A 76 1.389 18.665 -7.848 1.00 0.00 C ATOM 1230 O GLY A 76 2.094 19.612 -7.498 1.00 0.00 O ATOM 0 H GLY A 76 2.465 17.974 -5.628 1.00 0.00 H new ATOM 0 HA2 GLY A 76 2.219 16.739 -8.270 1.00 0.00 H new ATOM 0 HA3 GLY A 76 0.793 16.698 -7.252 1.00 0.00 H new ATOM 1234 N PRO A 77 0.294 18.831 -8.606 1.00 0.00 N ATOM 1235 CA PRO A 77 -0.151 20.145 -9.078 1.00 0.00 C ATOM 1236 C PRO A 77 -0.683 21.017 -7.946 1.00 0.00 C ATOM 1237 O PRO A 77 -0.878 20.546 -6.825 1.00 0.00 O ATOM 1238 CB PRO A 77 -1.271 19.808 -10.065 1.00 0.00 C ATOM 1239 CG PRO A 77 -1.780 18.480 -9.620 1.00 0.00 C ATOM 1240 CD PRO A 77 -0.593 17.747 -9.061 1.00 0.00 C ATOM 0 HA PRO A 77 0.665 20.717 -9.519 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -2.058 20.562 -10.043 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -0.898 19.767 -11.088 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -2.559 18.593 -8.866 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -2.220 17.932 -10.453 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -0.877 17.089 -8.240 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -0.113 17.125 -9.816 1.00 0.00 H new ATOM 1248 N SER A 78 -0.918 22.290 -8.246 1.00 0.00 N ATOM 1249 CA SER A 78 -1.426 23.229 -7.252 1.00 0.00 C ATOM 1250 C SER A 78 -2.692 22.690 -6.592 1.00 0.00 C ATOM 1251 O SER A 78 -3.332 21.774 -7.108 1.00 0.00 O ATOM 1252 CB SER A 78 -1.712 24.585 -7.899 1.00 0.00 C ATOM 1253 OG SER A 78 -0.509 25.259 -8.225 1.00 0.00 O ATOM 0 H SER A 78 -0.765 22.695 -9.169 1.00 0.00 H new ATOM 0 HA SER A 78 -0.663 23.355 -6.484 1.00 0.00 H new ATOM 0 HB2 SER A 78 -2.308 24.443 -8.800 1.00 0.00 H new ATOM 0 HB3 SER A 78 -2.303 25.198 -7.219 1.00 0.00 H new ATOM 0 HG SER A 78 -0.719 26.122 -8.639 1.00 0.00 H new ATOM 1259 N SER A 79 -3.047 23.267 -5.449 1.00 0.00 N ATOM 1260 CA SER A 79 -4.234 22.843 -4.715 1.00 0.00 C ATOM 1261 C SER A 79 -5.352 23.872 -4.850 1.00 0.00 C ATOM 1262 O SER A 79 -5.099 25.074 -4.926 1.00 0.00 O ATOM 1263 CB SER A 79 -3.898 22.628 -3.238 1.00 0.00 C ATOM 1264 OG SER A 79 -4.967 21.993 -2.559 1.00 0.00 O ATOM 0 H SER A 79 -2.530 24.029 -5.011 1.00 0.00 H new ATOM 0 HA SER A 79 -4.577 21.901 -5.142 1.00 0.00 H new ATOM 0 HB2 SER A 79 -2.997 22.021 -3.151 1.00 0.00 H new ATOM 0 HB3 SER A 79 -3.683 23.587 -2.767 1.00 0.00 H new ATOM 0 HG SER A 79 -4.727 21.865 -1.618 1.00 0.00 H new ATOM 1270 N GLY A 80 -6.591 23.391 -4.878 1.00 0.00 N ATOM 1271 CA GLY A 80 -7.730 24.281 -5.003 1.00 0.00 C ATOM 1272 C GLY A 80 -7.528 25.590 -4.265 1.00 0.00 C ATOM 1273 O GLY A 80 -7.036 25.603 -3.136 1.00 0.00 O ATOM 0 H GLY A 80 -6.826 22.400 -4.816 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -7.912 24.487 -6.058 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -8.620 23.784 -4.617 1.00 0.00 H new TER 1277 GLY A 80