USER MOD reduce.3.24.130724 H: found=0, std=0, add=906, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 902 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: B 19 LYS NZ :NH3+ -141:sc= 1.18 (180deg=-0.11) USER MOD Set 1.2: B 25 THR OG1 : rot 150:sc= 0.324 USER MOD Set 2.1: A 58 THR OG1 : rot -36:sc= 0.725 USER MOD Set 2.2: B 8 GLN : amide:sc= -1.25! K(o=-0.33!,f=1) USER MOD Set 2.3: B 14 TYR OH : rot -89:sc= 0.201 USER MOD Set 3.1: B 7 TYR OH : rot 180:sc= 1.03 USER MOD Set 3.2: B 28 SER OG : rot 124:sc= 1.21 USER MOD Set 4.1: B 1 MET CE :methyl -151:sc= 0 (180deg=-0.151) USER MOD Set 4.2: B 2 TYR OH : rot 180:sc= -0.55 USER MOD Set 5.1: A 54 THR OG1 : rot 180:sc= 0 USER MOD Set 5.2: B 46 LYS NZ :NH3+ -147:sc= 1.25 (180deg=-0.272) USER MOD Set 6.1: A 7 TYR OH : rot -130:sc= 0.132 USER MOD Set 6.2: A 28 SER OG : rot 140:sc= 0 USER MOD Set 7.1: A 19 LYS NZ :NH3+ -140:sc= 1.21 (180deg=-0.0139) USER MOD Set 7.2: A 25 THR OG1 : rot 180:sc= 1.09 USER MOD Single : A 1 MET CE :methyl -165:sc= -0.183 (180deg=-0.597) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 TYR OH : rot 180:sc= -0.926 USER MOD Single : A 3 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00805) USER MOD Single : A 8 GLN : amide:sc= -0.419 X(o=-0.42,f=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -0.31 X(o=-0.31,f=-0.17) USER MOD Single : A 26 MET CE :methyl -148:sc= -5.85! (180deg=-8.69!) USER MOD Single : A 29 SER OG : rot -157:sc= -1.38 USER MOD Single : A 32 TYR OH : rot 53:sc= 0.179 USER MOD Single : A 33 LYS NZ :NH3+ 173:sc=-0.00363 (180deg=-0.0641) USER MOD Single : A 35 LYS NZ :NH3+ 179:sc= -2.76! (180deg=-2.77!) USER MOD Single : A 37 SER OG : rot 109:sc= -0.344 USER MOD Single : A 40 HIS : no HD1:sc= -0.232 X(o=-0.23,f=0.049) USER MOD Single : A 44 SER OG : rot -120:sc= -0.727 USER MOD Single : A 46 LYS NZ :NH3+ -119:sc= 1.24 (180deg=-0.777) USER MOD Single : A 48 ASN : amide:sc= -0.235 X(o=-0.24,f=-0.52) USER MOD Single : A 49 SER OG : rot 17:sc= 0.0714 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0.0392 USER MOD Single : B 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 LYS NZ :NH3+ -136:sc= -0.188 (180deg=-2.48) USER MOD Single : B 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 21 SER OG : rot 180:sc= 0 USER MOD Single : B 22 ASN : amide:sc= -0.591 X(o=-0.59,f=-0.45) USER MOD Single : B 26 MET CE :methyl -148:sc= -5.58! (180deg=-8.79!) USER MOD Single : B 29 SER OG : rot -176:sc= 1.44 USER MOD Single : B 32 TYR OH : rot 47:sc= 0.315 USER MOD Single : B 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 35 LYS NZ :NH3+ -120:sc= -2.52! (180deg=-3.01!) USER MOD Single : B 37 SER OG : rot -110:sc= -0.332 USER MOD Single : B 40 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 44 SER OG : rot -120:sc= -0.63 USER MOD Single : B 48 ASN : amide:sc= -0.183 X(o=-0.18,f=-0.36) USER MOD Single : B 49 SER OG : rot 27:sc= 0.0548 USER MOD Single : B 54 THR OG1 : rot 180:sc= 0 USER MOD Single : B 58 THR OG1 : rot -29:sc= 0.593 USER MOD Single : B 59 THR OG1 : rot 180:sc= 0.0489 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.877 7.376 9.746 1.00 0.00 N ATOM 2 CA MET A 1 -12.460 7.805 8.394 1.00 0.00 C ATOM 3 C MET A 1 -11.667 6.662 7.724 1.00 0.00 C ATOM 4 O MET A 1 -12.266 5.790 7.090 1.00 0.00 O ATOM 5 CB MET A 1 -11.656 9.138 8.477 1.00 0.00 C ATOM 6 CG MET A 1 -11.506 9.902 7.153 1.00 0.00 C ATOM 7 SD MET A 1 -10.455 11.372 7.303 1.00 0.00 S ATOM 8 CE MET A 1 -11.129 12.180 8.765 1.00 0.00 C ATOM 0 H1 MET A 1 -13.412 8.142 10.204 1.00 0.00 H new ATOM 0 H2 MET A 1 -13.478 6.530 9.672 1.00 0.00 H new ATOM 0 H3 MET A 1 -12.035 7.154 10.315 1.00 0.00 H new ATOM 0 HA MET A 1 -13.331 8.009 7.772 1.00 0.00 H new ATOM 0 HB2 MET A 1 -12.143 9.792 9.201 1.00 0.00 H new ATOM 0 HB3 MET A 1 -10.661 8.919 8.865 1.00 0.00 H new ATOM 0 HG2 MET A 1 -11.085 9.236 6.400 1.00 0.00 H new ATOM 0 HG3 MET A 1 -12.492 10.201 6.798 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.764 13.206 8.815 1.00 0.00 H new ATOM 0 HE2 MET A 1 -12.218 12.184 8.709 1.00 0.00 H new ATOM 0 HE3 MET A 1 -10.814 11.639 9.657 1.00 0.00 H new ATOM 18 N TYR A 2 -10.327 6.658 7.907 1.00 0.00 N ATOM 19 CA TYR A 2 -9.415 5.622 7.389 1.00 0.00 C ATOM 20 C TYR A 2 -8.006 5.828 7.954 1.00 0.00 C ATOM 21 O TYR A 2 -7.665 6.924 8.413 1.00 0.00 O ATOM 22 CB TYR A 2 -9.369 5.572 5.837 1.00 0.00 C ATOM 23 CG TYR A 2 -9.384 6.922 5.106 1.00 0.00 C ATOM 24 CD1 TYR A 2 -8.290 7.781 5.115 1.00 0.00 C ATOM 25 CD2 TYR A 2 -10.505 7.317 4.381 1.00 0.00 C ATOM 26 CE1 TYR A 2 -8.321 8.981 4.428 1.00 0.00 C ATOM 27 CE2 TYR A 2 -10.542 8.503 3.705 1.00 0.00 C ATOM 28 CZ TYR A 2 -9.455 9.331 3.726 1.00 0.00 C ATOM 29 OH TYR A 2 -9.504 10.514 3.041 1.00 0.00 O ATOM 0 H TYR A 2 -9.844 7.389 8.429 1.00 0.00 H new ATOM 0 HA TYR A 2 -9.809 4.662 7.722 1.00 0.00 H new ATOM 0 HB2 TYR A 2 -8.469 5.033 5.540 1.00 0.00 H new ATOM 0 HB3 TYR A 2 -10.220 4.987 5.489 1.00 0.00 H new ATOM 0 HD1 TYR A 2 -7.403 7.507 5.667 1.00 0.00 H new ATOM 0 HD2 TYR A 2 -11.368 6.668 4.352 1.00 0.00 H new ATOM 0 HE1 TYR A 2 -7.464 9.638 4.441 1.00 0.00 H new ATOM 0 HE2 TYR A 2 -11.428 8.786 3.155 1.00 0.00 H new ATOM 0 HH TYR A 2 -10.376 10.602 2.602 1.00 0.00 H new ATOM 39 N LYS A 3 -7.182 4.777 7.865 1.00 0.00 N ATOM 40 CA LYS A 3 -5.829 4.763 8.446 1.00 0.00 C ATOM 41 C LYS A 3 -5.001 3.586 7.899 1.00 0.00 C ATOM 42 O LYS A 3 -5.497 2.769 7.107 1.00 0.00 O ATOM 43 CB LYS A 3 -5.883 4.750 10.023 1.00 0.00 C ATOM 44 CG LYS A 3 -6.774 3.672 10.712 1.00 0.00 C ATOM 45 CD LYS A 3 -6.291 2.222 10.463 1.00 0.00 C ATOM 46 CE LYS A 3 -6.934 1.191 11.389 1.00 0.00 C ATOM 47 NZ LYS A 3 -8.402 1.189 11.281 1.00 0.00 N ATOM 0 H LYS A 3 -7.432 3.911 7.388 1.00 0.00 H new ATOM 0 HA LYS A 3 -5.328 5.683 8.145 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -4.865 4.628 10.392 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -6.227 5.730 10.354 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -6.795 3.861 11.785 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -7.798 3.773 10.351 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -6.504 1.951 9.429 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -5.209 2.183 10.587 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -6.552 0.199 11.147 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -6.647 1.401 12.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -8.794 0.441 11.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -8.774 2.111 11.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -8.677 1.013 10.294 1.00 0.00 H new ATOM 61 N PHE A 4 -3.750 3.491 8.386 1.00 0.00 N ATOM 62 CA PHE A 4 -2.813 2.412 8.057 1.00 0.00 C ATOM 63 C PHE A 4 -2.798 1.376 9.188 1.00 0.00 C ATOM 64 O PHE A 4 -2.367 1.674 10.303 1.00 0.00 O ATOM 65 CB PHE A 4 -1.392 2.980 7.823 1.00 0.00 C ATOM 66 CG PHE A 4 -1.269 3.772 6.529 1.00 0.00 C ATOM 67 CD1 PHE A 4 -1.548 5.138 6.491 1.00 0.00 C ATOM 68 CD2 PHE A 4 -0.883 3.140 5.349 1.00 0.00 C ATOM 69 CE1 PHE A 4 -1.441 5.842 5.312 1.00 0.00 C ATOM 70 CE2 PHE A 4 -0.775 3.845 4.173 1.00 0.00 C ATOM 71 CZ PHE A 4 -1.054 5.192 4.154 1.00 0.00 C ATOM 0 H PHE A 4 -3.359 4.178 9.031 1.00 0.00 H new ATOM 0 HA PHE A 4 -3.141 1.927 7.137 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -1.122 3.622 8.661 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -0.677 2.158 7.808 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -1.850 5.648 7.394 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -0.666 2.082 5.358 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -1.659 6.900 5.292 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -0.472 3.342 3.266 1.00 0.00 H new ATOM 0 HZ PHE A 4 -0.970 5.745 3.230 1.00 0.00 H new ATOM 81 N GLU A 5 -3.283 0.169 8.890 1.00 0.00 N ATOM 82 CA GLU A 5 -3.279 -0.956 9.830 1.00 0.00 C ATOM 83 C GLU A 5 -2.016 -1.810 9.573 1.00 0.00 C ATOM 84 O GLU A 5 -1.876 -2.427 8.507 1.00 0.00 O ATOM 85 CB GLU A 5 -4.592 -1.788 9.716 1.00 0.00 C ATOM 86 CG GLU A 5 -4.872 -2.442 8.355 1.00 0.00 C ATOM 87 CD GLU A 5 -6.161 -3.270 8.317 1.00 0.00 C ATOM 88 OE1 GLU A 5 -6.415 -4.039 9.270 1.00 0.00 O ATOM 89 OE2 GLU A 5 -6.910 -3.209 7.318 1.00 0.00 O ATOM 0 H GLU A 5 -3.693 -0.058 7.984 1.00 0.00 H new ATOM 0 HA GLU A 5 -3.246 -0.585 10.854 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -4.566 -2.572 10.473 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -5.431 -1.137 9.961 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -4.929 -1.664 7.594 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -4.031 -3.084 8.092 1.00 0.00 H new ATOM 96 N ILE A 6 -1.081 -1.819 10.539 1.00 0.00 N ATOM 97 CA ILE A 6 0.227 -2.481 10.388 1.00 0.00 C ATOM 98 C ILE A 6 0.170 -3.835 11.075 1.00 0.00 C ATOM 99 O ILE A 6 0.060 -3.910 12.294 1.00 0.00 O ATOM 100 CB ILE A 6 1.395 -1.658 11.033 1.00 0.00 C ATOM 101 CG1 ILE A 6 1.322 -0.170 10.590 1.00 0.00 C ATOM 102 CG2 ILE A 6 2.782 -2.290 10.693 1.00 0.00 C ATOM 103 CD1 ILE A 6 2.210 0.754 11.391 1.00 0.00 C ATOM 0 H ILE A 6 -1.210 -1.368 11.445 1.00 0.00 H new ATOM 0 HA ILE A 6 0.426 -2.573 9.320 1.00 0.00 H new ATOM 0 HB ILE A 6 1.281 -1.691 12.117 1.00 0.00 H new ATOM 0 HG12 ILE A 6 1.598 -0.101 9.538 1.00 0.00 H new ATOM 0 HG13 ILE A 6 0.291 0.173 10.672 1.00 0.00 H new ATOM 0 HG21 ILE A 6 3.574 -1.699 11.153 1.00 0.00 H new ATOM 0 HG22 ILE A 6 2.821 -3.310 11.076 1.00 0.00 H new ATOM 0 HG23 ILE A 6 2.921 -2.303 9.612 1.00 0.00 H new ATOM 0 HD11 ILE A 6 2.102 1.774 11.021 1.00 0.00 H new ATOM 0 HD12 ILE A 6 1.921 0.717 12.441 1.00 0.00 H new ATOM 0 HD13 ILE A 6 3.249 0.439 11.289 1.00 0.00 H new ATOM 115 N TYR A 7 0.275 -4.889 10.301 1.00 0.00 N ATOM 116 CA TYR A 7 0.252 -6.254 10.822 1.00 0.00 C ATOM 117 C TYR A 7 1.375 -7.056 10.176 1.00 0.00 C ATOM 118 O TYR A 7 1.982 -6.611 9.211 1.00 0.00 O ATOM 119 CB TYR A 7 -1.137 -6.905 10.601 1.00 0.00 C ATOM 120 CG TYR A 7 -1.503 -7.193 9.147 1.00 0.00 C ATOM 121 CD1 TYR A 7 -1.918 -6.174 8.298 1.00 0.00 C ATOM 122 CD2 TYR A 7 -1.444 -8.488 8.630 1.00 0.00 C ATOM 123 CE1 TYR A 7 -2.254 -6.439 6.996 1.00 0.00 C ATOM 124 CE2 TYR A 7 -1.786 -8.753 7.328 1.00 0.00 C ATOM 125 CZ TYR A 7 -2.192 -7.729 6.514 1.00 0.00 C ATOM 126 OH TYR A 7 -2.542 -7.999 5.210 1.00 0.00 O ATOM 0 H TYR A 7 0.379 -4.834 9.288 1.00 0.00 H new ATOM 0 HA TYR A 7 0.419 -6.240 11.899 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -1.173 -7.841 11.159 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -1.898 -6.250 11.026 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -1.976 -5.161 8.669 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -1.123 -9.298 9.268 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -2.568 -5.635 6.346 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -1.735 -9.762 6.947 1.00 0.00 H new ATOM 0 HH TYR A 7 -3.175 -8.747 5.189 1.00 0.00 H new ATOM 136 N GLN A 8 1.644 -8.244 10.704 1.00 0.00 N ATOM 137 CA GLN A 8 2.541 -9.203 10.050 1.00 0.00 C ATOM 138 C GLN A 8 1.684 -10.380 9.579 1.00 0.00 C ATOM 139 O GLN A 8 0.711 -10.755 10.242 1.00 0.00 O ATOM 140 CB GLN A 8 3.722 -9.658 10.973 1.00 0.00 C ATOM 141 CG GLN A 8 3.473 -10.914 11.827 1.00 0.00 C ATOM 142 CD GLN A 8 4.635 -11.286 12.754 1.00 0.00 C ATOM 143 OE1 GLN A 8 4.423 -11.810 13.844 1.00 0.00 O ATOM 144 NE2 GLN A 8 5.874 -11.076 12.309 1.00 0.00 N ATOM 0 H GLN A 8 1.254 -8.572 11.588 1.00 0.00 H new ATOM 0 HA GLN A 8 3.030 -8.728 9.199 1.00 0.00 H new ATOM 0 HB2 GLN A 8 4.596 -9.837 10.347 1.00 0.00 H new ATOM 0 HB3 GLN A 8 3.972 -8.834 11.641 1.00 0.00 H new ATOM 0 HG2 GLN A 8 2.578 -10.758 12.430 1.00 0.00 H new ATOM 0 HG3 GLN A 8 3.268 -11.755 11.164 1.00 0.00 H new ATOM 0 HE21 GLN A 8 6.022 -10.639 11.399 1.00 0.00 H new ATOM 0 HE22 GLN A 8 6.674 -11.353 12.878 1.00 0.00 H new ATOM 153 N ASP A 9 2.023 -10.913 8.412 1.00 0.00 N ATOM 154 CA ASP A 9 1.351 -12.069 7.824 1.00 0.00 C ATOM 155 C ASP A 9 1.836 -13.350 8.512 1.00 0.00 C ATOM 156 O ASP A 9 2.870 -13.314 9.178 1.00 0.00 O ATOM 157 CB ASP A 9 1.640 -12.099 6.298 1.00 0.00 C ATOM 158 CG ASP A 9 0.960 -13.264 5.565 1.00 0.00 C ATOM 159 OD1 ASP A 9 -0.282 -13.260 5.466 1.00 0.00 O ATOM 160 OD2 ASP A 9 1.657 -14.209 5.128 1.00 0.00 O ATOM 0 H ASP A 9 2.784 -10.550 7.837 1.00 0.00 H new ATOM 0 HA ASP A 9 0.273 -11.998 7.971 1.00 0.00 H new ATOM 0 HB2 ASP A 9 1.308 -11.160 5.856 1.00 0.00 H new ATOM 0 HB3 ASP A 9 2.717 -12.162 6.142 1.00 0.00 H new ATOM 165 N LYS A 10 1.079 -14.460 8.333 1.00 0.00 N ATOM 166 CA LYS A 10 1.414 -15.816 8.844 1.00 0.00 C ATOM 167 C LYS A 10 2.879 -16.224 8.530 1.00 0.00 C ATOM 168 O LYS A 10 3.521 -16.917 9.314 1.00 0.00 O ATOM 169 CB LYS A 10 0.361 -16.874 8.351 1.00 0.00 C ATOM 170 CG LYS A 10 -0.025 -16.840 6.841 1.00 0.00 C ATOM 171 CD LYS A 10 1.022 -17.478 5.891 1.00 0.00 C ATOM 172 CE LYS A 10 1.252 -18.978 6.150 1.00 0.00 C ATOM 173 NZ LYS A 10 2.267 -19.550 5.228 1.00 0.00 N ATOM 0 H LYS A 10 0.199 -14.439 7.818 1.00 0.00 H new ATOM 0 HA LYS A 10 1.353 -15.786 9.932 1.00 0.00 H new ATOM 0 HB2 LYS A 10 0.747 -17.867 8.579 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -0.549 -16.743 8.936 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -0.976 -17.357 6.711 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -0.182 -15.803 6.543 1.00 0.00 H new ATOM 0 HD2 LYS A 10 0.696 -17.341 4.860 1.00 0.00 H new ATOM 0 HD3 LYS A 10 1.969 -16.949 5.999 1.00 0.00 H new ATOM 0 HE2 LYS A 10 1.575 -19.123 7.181 1.00 0.00 H new ATOM 0 HE3 LYS A 10 0.311 -19.515 6.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 2.393 -20.561 5.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 1.947 -19.435 4.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 3.172 -19.055 5.358 1.00 0.00 H new ATOM 187 N ALA A 11 3.375 -15.747 7.371 1.00 0.00 N ATOM 188 CA ALA A 11 4.769 -15.943 6.903 1.00 0.00 C ATOM 189 C ALA A 11 5.792 -15.074 7.697 1.00 0.00 C ATOM 190 O ALA A 11 6.978 -15.050 7.353 1.00 0.00 O ATOM 191 CB ALA A 11 4.832 -15.623 5.395 1.00 0.00 C ATOM 0 H ALA A 11 2.810 -15.204 6.719 1.00 0.00 H new ATOM 0 HA ALA A 11 5.050 -16.981 7.080 1.00 0.00 H new ATOM 0 HB1 ALA A 11 5.852 -15.763 5.036 1.00 0.00 H new ATOM 0 HB2 ALA A 11 4.162 -16.290 4.853 1.00 0.00 H new ATOM 0 HB3 ALA A 11 4.527 -14.590 5.229 1.00 0.00 H new ATOM 197 N GLY A 12 5.330 -14.404 8.769 1.00 0.00 N ATOM 198 CA GLY A 12 6.135 -13.446 9.536 1.00 0.00 C ATOM 199 C GLY A 12 6.409 -12.160 8.766 1.00 0.00 C ATOM 200 O GLY A 12 7.343 -11.423 9.091 1.00 0.00 O ATOM 0 H GLY A 12 4.381 -14.516 9.126 1.00 0.00 H new ATOM 0 HA2 GLY A 12 5.619 -13.205 10.465 1.00 0.00 H new ATOM 0 HA3 GLY A 12 7.083 -13.910 9.809 1.00 0.00 H new ATOM 204 N GLU A 13 5.548 -11.866 7.773 1.00 0.00 N ATOM 205 CA GLU A 13 5.787 -10.774 6.809 1.00 0.00 C ATOM 206 C GLU A 13 5.111 -9.481 7.250 1.00 0.00 C ATOM 207 O GLU A 13 3.918 -9.281 7.013 1.00 0.00 O ATOM 208 CB GLU A 13 5.339 -11.174 5.377 1.00 0.00 C ATOM 209 CG GLU A 13 6.271 -12.209 4.699 1.00 0.00 C ATOM 210 CD GLU A 13 6.024 -12.358 3.191 1.00 0.00 C ATOM 211 OE1 GLU A 13 6.196 -11.357 2.458 1.00 0.00 O ATOM 212 OE2 GLU A 13 5.653 -13.456 2.726 1.00 0.00 O ATOM 0 H GLU A 13 4.676 -12.372 7.617 1.00 0.00 H new ATOM 0 HA GLU A 13 6.862 -10.595 6.785 1.00 0.00 H new ATOM 0 HB2 GLU A 13 4.329 -11.582 5.423 1.00 0.00 H new ATOM 0 HB3 GLU A 13 5.293 -10.279 4.757 1.00 0.00 H new ATOM 0 HG2 GLU A 13 7.308 -11.915 4.862 1.00 0.00 H new ATOM 0 HG3 GLU A 13 6.135 -13.178 5.179 1.00 0.00 H new ATOM 219 N TYR A 14 5.885 -8.624 7.939 1.00 0.00 N ATOM 220 CA TYR A 14 5.462 -7.264 8.294 1.00 0.00 C ATOM 221 C TYR A 14 5.005 -6.498 7.041 1.00 0.00 C ATOM 222 O TYR A 14 5.691 -6.495 6.015 1.00 0.00 O ATOM 223 CB TYR A 14 6.584 -6.497 9.035 1.00 0.00 C ATOM 224 CG TYR A 14 6.911 -7.083 10.407 1.00 0.00 C ATOM 225 CD1 TYR A 14 7.846 -8.110 10.554 1.00 0.00 C ATOM 226 CD2 TYR A 14 6.261 -6.624 11.551 1.00 0.00 C ATOM 227 CE1 TYR A 14 8.120 -8.653 11.788 1.00 0.00 C ATOM 228 CE2 TYR A 14 6.536 -7.163 12.788 1.00 0.00 C ATOM 229 CZ TYR A 14 7.465 -8.180 12.903 1.00 0.00 C ATOM 230 OH TYR A 14 7.748 -8.721 14.139 1.00 0.00 O ATOM 0 H TYR A 14 6.823 -8.859 8.264 1.00 0.00 H new ATOM 0 HA TYR A 14 4.616 -7.343 8.977 1.00 0.00 H new ATOM 0 HB2 TYR A 14 7.485 -6.502 8.421 1.00 0.00 H new ATOM 0 HB3 TYR A 14 6.285 -5.456 9.154 1.00 0.00 H new ATOM 0 HD1 TYR A 14 8.363 -8.485 9.683 1.00 0.00 H new ATOM 0 HD2 TYR A 14 5.530 -5.833 11.466 1.00 0.00 H new ATOM 0 HE1 TYR A 14 8.846 -9.447 11.882 1.00 0.00 H new ATOM 0 HE2 TYR A 14 6.027 -6.792 13.666 1.00 0.00 H new ATOM 0 HH TYR A 14 7.203 -8.278 14.823 1.00 0.00 H new ATOM 240 N ARG A 15 3.833 -5.883 7.181 1.00 0.00 N ATOM 241 CA ARG A 15 3.095 -5.211 6.106 1.00 0.00 C ATOM 242 C ARG A 15 2.126 -4.197 6.703 1.00 0.00 C ATOM 243 O ARG A 15 1.941 -4.137 7.920 1.00 0.00 O ATOM 244 CB ARG A 15 2.368 -6.252 5.211 1.00 0.00 C ATOM 245 CG ARG A 15 1.347 -7.165 5.925 1.00 0.00 C ATOM 246 CD ARG A 15 1.246 -8.573 5.291 1.00 0.00 C ATOM 247 NE ARG A 15 1.477 -8.570 3.830 1.00 0.00 N ATOM 248 CZ ARG A 15 0.551 -8.709 2.872 1.00 0.00 C ATOM 249 NH1 ARG A 15 -0.711 -8.999 3.167 1.00 0.00 N ATOM 250 NH2 ARG A 15 0.904 -8.566 1.605 1.00 0.00 N ATOM 0 H ARG A 15 3.350 -5.835 8.078 1.00 0.00 H new ATOM 0 HA ARG A 15 3.795 -4.672 5.467 1.00 0.00 H new ATOM 0 HB2 ARG A 15 1.852 -5.718 4.413 1.00 0.00 H new ATOM 0 HB3 ARG A 15 3.120 -6.883 4.738 1.00 0.00 H new ATOM 0 HG2 ARG A 15 1.628 -7.264 6.973 1.00 0.00 H new ATOM 0 HG3 ARG A 15 0.366 -6.691 5.902 1.00 0.00 H new ATOM 0 HD2 ARG A 15 1.973 -9.232 5.766 1.00 0.00 H new ATOM 0 HD3 ARG A 15 0.259 -8.987 5.496 1.00 0.00 H new ATOM 0 HE ARG A 15 2.441 -8.450 3.520 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -0.992 -9.121 4.140 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -1.399 -9.100 2.421 1.00 0.00 H new ATOM 0 HH21 ARG A 15 1.872 -8.352 1.366 1.00 0.00 H new ATOM 0 HH22 ARG A 15 0.208 -8.670 0.867 1.00 0.00 H new ATOM 264 N PHE A 16 1.535 -3.377 5.838 1.00 0.00 N ATOM 265 CA PHE A 16 0.523 -2.398 6.231 1.00 0.00 C ATOM 266 C PHE A 16 -0.498 -2.257 5.110 1.00 0.00 C ATOM 267 O PHE A 16 -0.142 -2.280 3.923 1.00 0.00 O ATOM 268 CB PHE A 16 1.168 -1.029 6.597 1.00 0.00 C ATOM 269 CG PHE A 16 2.071 -0.408 5.520 1.00 0.00 C ATOM 270 CD1 PHE A 16 3.432 -0.722 5.459 1.00 0.00 C ATOM 271 CD2 PHE A 16 1.567 0.500 4.587 1.00 0.00 C ATOM 272 CE1 PHE A 16 4.251 -0.147 4.508 1.00 0.00 C ATOM 273 CE2 PHE A 16 2.389 1.073 3.635 1.00 0.00 C ATOM 274 CZ PHE A 16 3.727 0.749 3.594 1.00 0.00 C ATOM 0 H PHE A 16 1.745 -3.372 4.840 1.00 0.00 H new ATOM 0 HA PHE A 16 0.015 -2.750 7.129 1.00 0.00 H new ATOM 0 HB2 PHE A 16 0.370 -0.323 6.828 1.00 0.00 H new ATOM 0 HB3 PHE A 16 1.754 -1.156 7.507 1.00 0.00 H new ATOM 0 HD1 PHE A 16 3.849 -1.424 6.166 1.00 0.00 H new ATOM 0 HD2 PHE A 16 0.519 0.759 4.609 1.00 0.00 H new ATOM 0 HE1 PHE A 16 5.301 -0.397 4.478 1.00 0.00 H new ATOM 0 HE2 PHE A 16 1.982 1.775 2.923 1.00 0.00 H new ATOM 0 HZ PHE A 16 4.368 1.195 2.848 1.00 0.00 H new ATOM 284 N ARG A 17 -1.771 -2.169 5.492 1.00 0.00 N ATOM 285 CA ARG A 17 -2.875 -1.885 4.575 1.00 0.00 C ATOM 286 C ARG A 17 -3.366 -0.462 4.814 1.00 0.00 C ATOM 287 O ARG A 17 -3.043 0.147 5.838 1.00 0.00 O ATOM 288 CB ARG A 17 -4.031 -2.903 4.777 1.00 0.00 C ATOM 289 CG ARG A 17 -3.631 -4.356 4.473 1.00 0.00 C ATOM 290 CD ARG A 17 -4.795 -5.366 4.526 1.00 0.00 C ATOM 291 NE ARG A 17 -5.427 -5.444 5.861 1.00 0.00 N ATOM 292 CZ ARG A 17 -5.791 -6.573 6.492 1.00 0.00 C ATOM 293 NH1 ARG A 17 -5.543 -7.751 5.963 1.00 0.00 N ATOM 294 NH2 ARG A 17 -6.379 -6.510 7.664 1.00 0.00 N ATOM 0 H ARG A 17 -2.069 -2.294 6.459 1.00 0.00 H new ATOM 0 HA ARG A 17 -2.524 -1.980 3.547 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -4.384 -2.840 5.806 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -4.867 -2.623 4.136 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -3.178 -4.395 3.482 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -2.866 -4.665 5.185 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -5.547 -5.085 3.789 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -4.427 -6.353 4.245 1.00 0.00 H new ATOM 0 HE ARG A 17 -5.602 -4.563 6.345 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -5.069 -7.816 5.062 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -5.825 -8.600 6.453 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -6.560 -5.604 8.096 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -6.655 -7.367 8.143 1.00 0.00 H new ATOM 308 N PHE A 18 -4.148 0.059 3.869 1.00 0.00 N ATOM 309 CA PHE A 18 -4.819 1.360 4.021 1.00 0.00 C ATOM 310 C PHE A 18 -6.308 1.166 3.742 1.00 0.00 C ATOM 311 O PHE A 18 -6.694 0.368 2.870 1.00 0.00 O ATOM 312 CB PHE A 18 -4.204 2.419 3.077 1.00 0.00 C ATOM 313 CG PHE A 18 -4.753 3.839 3.195 1.00 0.00 C ATOM 314 CD1 PHE A 18 -4.887 4.454 4.433 1.00 0.00 C ATOM 315 CD2 PHE A 18 -5.094 4.568 2.061 1.00 0.00 C ATOM 316 CE1 PHE A 18 -5.349 5.744 4.532 1.00 0.00 C ATOM 317 CE2 PHE A 18 -5.555 5.857 2.160 1.00 0.00 C ATOM 318 CZ PHE A 18 -5.683 6.445 3.395 1.00 0.00 C ATOM 0 H PHE A 18 -4.337 -0.402 2.979 1.00 0.00 H new ATOM 0 HA PHE A 18 -4.682 1.730 5.037 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -3.129 2.453 3.257 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -4.345 2.083 2.050 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -4.625 3.911 5.329 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -4.995 4.113 1.087 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -5.450 6.208 5.502 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -5.817 6.408 1.269 1.00 0.00 H new ATOM 0 HZ PHE A 18 -6.046 7.459 3.474 1.00 0.00 H new ATOM 328 N LYS A 19 -7.129 1.876 4.512 1.00 0.00 N ATOM 329 CA LYS A 19 -8.589 1.771 4.460 1.00 0.00 C ATOM 330 C LYS A 19 -9.202 2.906 3.617 1.00 0.00 C ATOM 331 O LYS A 19 -8.492 3.749 3.051 1.00 0.00 O ATOM 332 CB LYS A 19 -9.151 1.786 5.913 1.00 0.00 C ATOM 333 CG LYS A 19 -8.547 0.702 6.833 1.00 0.00 C ATOM 334 CD LYS A 19 -8.837 -0.735 6.339 1.00 0.00 C ATOM 335 CE LYS A 19 -10.320 -1.138 6.455 1.00 0.00 C ATOM 336 NZ LYS A 19 -10.524 -2.557 6.076 1.00 0.00 N ATOM 0 H LYS A 19 -6.796 2.551 5.200 1.00 0.00 H new ATOM 0 HA LYS A 19 -8.862 0.833 3.977 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -8.965 2.766 6.353 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -10.232 1.654 5.874 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -7.469 0.848 6.899 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -8.947 0.823 7.840 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -8.525 -0.823 5.298 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -8.232 -1.437 6.913 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -10.663 -0.979 7.477 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -10.924 -0.497 5.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -11.401 -2.646 5.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -9.720 -2.882 5.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -10.595 -3.139 6.935 1.00 0.00 H new ATOM 350 N ALA A 20 -10.537 2.905 3.568 1.00 0.00 N ATOM 351 CA ALA A 20 -11.352 3.936 2.915 1.00 0.00 C ATOM 352 C ALA A 20 -12.501 4.314 3.861 1.00 0.00 C ATOM 353 O ALA A 20 -12.788 3.570 4.802 1.00 0.00 O ATOM 354 CB ALA A 20 -11.865 3.443 1.552 1.00 0.00 C ATOM 0 H ALA A 20 -11.098 2.166 3.993 1.00 0.00 H new ATOM 0 HA ALA A 20 -10.751 4.823 2.716 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -12.467 4.223 1.086 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -11.018 3.205 0.909 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -12.475 2.551 1.694 1.00 0.00 H new ATOM 360 N SER A 21 -13.117 5.493 3.628 1.00 0.00 N ATOM 361 CA SER A 21 -14.222 6.041 4.459 1.00 0.00 C ATOM 362 C SER A 21 -15.416 5.066 4.614 1.00 0.00 C ATOM 363 O SER A 21 -16.102 5.081 5.641 1.00 0.00 O ATOM 364 CB SER A 21 -14.681 7.396 3.867 1.00 0.00 C ATOM 365 OG SER A 21 -14.972 7.269 2.486 1.00 0.00 O ATOM 0 H SER A 21 -12.862 6.101 2.850 1.00 0.00 H new ATOM 0 HA SER A 21 -13.834 6.188 5.467 1.00 0.00 H new ATOM 0 HB2 SER A 21 -15.565 7.750 4.398 1.00 0.00 H new ATOM 0 HB3 SER A 21 -13.901 8.144 4.012 1.00 0.00 H new ATOM 0 HG SER A 21 -15.262 8.136 2.132 1.00 0.00 H new ATOM 371 N ASN A 22 -15.626 4.193 3.611 1.00 0.00 N ATOM 372 CA ASN A 22 -16.694 3.162 3.634 1.00 0.00 C ATOM 373 C ASN A 22 -16.210 1.864 4.357 1.00 0.00 C ATOM 374 O ASN A 22 -16.829 0.805 4.242 1.00 0.00 O ATOM 375 CB ASN A 22 -17.158 2.900 2.167 1.00 0.00 C ATOM 376 CG ASN A 22 -18.393 1.999 2.036 1.00 0.00 C ATOM 377 OD1 ASN A 22 -19.531 2.453 2.142 1.00 0.00 O ATOM 378 ND2 ASN A 22 -18.176 0.720 1.788 1.00 0.00 N ATOM 0 H ASN A 22 -15.063 4.178 2.760 1.00 0.00 H new ATOM 0 HA ASN A 22 -17.549 3.517 4.210 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -17.372 3.857 1.692 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -16.334 2.447 1.615 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -18.963 0.081 1.679 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -17.221 0.371 1.705 1.00 0.00 H new ATOM 385 N GLY A 23 -15.104 1.981 5.129 1.00 0.00 N ATOM 386 CA GLY A 23 -14.564 0.886 5.947 1.00 0.00 C ATOM 387 C GLY A 23 -14.114 -0.314 5.135 1.00 0.00 C ATOM 388 O GLY A 23 -14.472 -1.453 5.438 1.00 0.00 O ATOM 0 H GLY A 23 -14.564 2.844 5.197 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -13.720 1.259 6.527 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -15.324 0.567 6.660 1.00 0.00 H new ATOM 392 N GLU A 24 -13.309 -0.056 4.103 1.00 0.00 N ATOM 393 CA GLU A 24 -12.851 -1.089 3.163 1.00 0.00 C ATOM 394 C GLU A 24 -11.381 -0.853 2.805 1.00 0.00 C ATOM 395 O GLU A 24 -10.960 0.290 2.620 1.00 0.00 O ATOM 396 CB GLU A 24 -13.744 -1.076 1.892 1.00 0.00 C ATOM 397 CG GLU A 24 -13.937 0.329 1.265 1.00 0.00 C ATOM 398 CD GLU A 24 -14.654 0.296 -0.086 1.00 0.00 C ATOM 399 OE1 GLU A 24 -13.964 0.168 -1.120 1.00 0.00 O ATOM 400 OE2 GLU A 24 -15.903 0.393 -0.127 1.00 0.00 O ATOM 0 H GLU A 24 -12.954 0.877 3.892 1.00 0.00 H new ATOM 0 HA GLU A 24 -12.934 -2.070 3.631 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -13.304 -1.737 1.146 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -14.722 -1.486 2.144 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -14.506 0.952 1.955 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -12.962 0.800 1.140 1.00 0.00 H new ATOM 407 N THR A 25 -10.607 -1.942 2.734 1.00 0.00 N ATOM 408 CA THR A 25 -9.192 -1.900 2.354 1.00 0.00 C ATOM 409 C THR A 25 -9.062 -1.764 0.825 1.00 0.00 C ATOM 410 O THR A 25 -9.840 -2.348 0.067 1.00 0.00 O ATOM 411 CB THR A 25 -8.450 -3.176 2.867 1.00 0.00 C ATOM 412 OG1 THR A 25 -8.461 -3.189 4.303 1.00 0.00 O ATOM 413 CG2 THR A 25 -7.000 -3.284 2.354 1.00 0.00 C ATOM 0 H THR A 25 -10.947 -2.881 2.940 1.00 0.00 H new ATOM 0 HA THR A 25 -8.726 -1.031 2.819 1.00 0.00 H new ATOM 0 HB THR A 25 -8.986 -4.039 2.471 1.00 0.00 H new ATOM 0 HG1 THR A 25 -7.997 -3.989 4.626 1.00 0.00 H new ATOM 0 HG21 THR A 25 -6.542 -4.192 2.747 1.00 0.00 H new ATOM 0 HG22 THR A 25 -7.001 -3.320 1.265 1.00 0.00 H new ATOM 0 HG23 THR A 25 -6.431 -2.416 2.687 1.00 0.00 H new ATOM 421 N MET A 26 -8.069 -0.973 0.406 1.00 0.00 N ATOM 422 CA MET A 26 -7.814 -0.648 -1.010 1.00 0.00 C ATOM 423 C MET A 26 -6.407 -1.098 -1.453 1.00 0.00 C ATOM 424 O MET A 26 -6.177 -1.279 -2.651 1.00 0.00 O ATOM 425 CB MET A 26 -8.073 0.865 -1.261 1.00 0.00 C ATOM 426 CG MET A 26 -7.657 1.793 -0.112 1.00 0.00 C ATOM 427 SD MET A 26 -5.917 1.686 0.285 1.00 0.00 S ATOM 428 CE MET A 26 -5.227 2.374 -1.194 1.00 0.00 C ATOM 0 H MET A 26 -7.408 -0.532 1.046 1.00 0.00 H new ATOM 0 HA MET A 26 -8.511 -1.209 -1.632 1.00 0.00 H new ATOM 0 HB2 MET A 26 -7.538 1.165 -2.162 1.00 0.00 H new ATOM 0 HB3 MET A 26 -9.135 1.009 -1.458 1.00 0.00 H new ATOM 0 HG2 MET A 26 -7.900 2.822 -0.378 1.00 0.00 H new ATOM 0 HG3 MET A 26 -8.241 1.547 0.775 1.00 0.00 H new ATOM 0 HE1 MET A 26 -4.263 1.907 -1.397 1.00 0.00 H new ATOM 0 HE2 MET A 26 -5.902 2.191 -2.030 1.00 0.00 H new ATOM 0 HE3 MET A 26 -5.090 3.448 -1.066 1.00 0.00 H new ATOM 438 N PHE A 27 -5.465 -1.289 -0.500 1.00 0.00 N ATOM 439 CA PHE A 27 -4.183 -1.970 -0.794 1.00 0.00 C ATOM 440 C PHE A 27 -3.625 -2.658 0.452 1.00 0.00 C ATOM 441 O PHE A 27 -3.979 -2.324 1.586 1.00 0.00 O ATOM 442 CB PHE A 27 -3.089 -1.016 -1.419 1.00 0.00 C ATOM 443 CG PHE A 27 -2.158 -0.276 -0.425 1.00 0.00 C ATOM 444 CD1 PHE A 27 -2.552 0.892 0.179 1.00 0.00 C ATOM 445 CD2 PHE A 27 -0.883 -0.750 -0.122 1.00 0.00 C ATOM 446 CE1 PHE A 27 -1.742 1.577 1.045 1.00 0.00 C ATOM 447 CE2 PHE A 27 -0.066 -0.071 0.767 1.00 0.00 C ATOM 448 CZ PHE A 27 -0.495 1.100 1.347 1.00 0.00 C ATOM 0 H PHE A 27 -5.567 -0.985 0.468 1.00 0.00 H new ATOM 0 HA PHE A 27 -4.417 -2.720 -1.550 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -2.467 -1.607 -2.092 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -3.598 -0.269 -2.029 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -3.535 1.284 -0.036 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -0.527 -1.658 -0.586 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -2.088 2.497 1.492 1.00 0.00 H new ATOM 0 HE2 PHE A 27 0.912 -0.463 1.006 1.00 0.00 H new ATOM 0 HZ PHE A 27 0.144 1.637 2.032 1.00 0.00 H new ATOM 458 N SER A 28 -2.708 -3.582 0.176 1.00 0.00 N ATOM 459 CA SER A 28 -1.815 -4.197 1.158 1.00 0.00 C ATOM 460 C SER A 28 -0.400 -4.122 0.588 1.00 0.00 C ATOM 461 O SER A 28 -0.211 -4.273 -0.627 1.00 0.00 O ATOM 462 CB SER A 28 -2.215 -5.651 1.452 1.00 0.00 C ATOM 463 OG SER A 28 -1.431 -6.192 2.498 1.00 0.00 O ATOM 0 H SER A 28 -2.560 -3.936 -0.769 1.00 0.00 H new ATOM 0 HA SER A 28 -1.877 -3.666 2.108 1.00 0.00 H new ATOM 0 HB2 SER A 28 -3.270 -5.694 1.724 1.00 0.00 H new ATOM 0 HB3 SER A 28 -2.093 -6.254 0.552 1.00 0.00 H new ATOM 0 HG SER A 28 -1.997 -6.739 3.082 1.00 0.00 H new ATOM 469 N SER A 29 0.585 -3.866 1.450 1.00 0.00 N ATOM 470 CA SER A 29 1.974 -3.634 1.035 1.00 0.00 C ATOM 471 C SER A 29 2.823 -4.881 1.292 1.00 0.00 C ATOM 472 O SER A 29 2.347 -5.882 1.847 1.00 0.00 O ATOM 473 CB SER A 29 2.536 -2.418 1.813 1.00 0.00 C ATOM 474 OG SER A 29 3.896 -2.142 1.512 1.00 0.00 O ATOM 0 H SER A 29 0.444 -3.813 2.459 1.00 0.00 H new ATOM 0 HA SER A 29 2.006 -3.423 -0.034 1.00 0.00 H new ATOM 0 HB2 SER A 29 1.934 -1.539 1.584 1.00 0.00 H new ATOM 0 HB3 SER A 29 2.437 -2.602 2.883 1.00 0.00 H new ATOM 0 HG SER A 29 4.299 -1.641 2.251 1.00 0.00 H new ATOM 480 N GLU A 30 4.075 -4.803 0.854 1.00 0.00 N ATOM 481 CA GLU A 30 5.123 -5.769 1.188 1.00 0.00 C ATOM 482 C GLU A 30 5.695 -5.482 2.601 1.00 0.00 C ATOM 483 O GLU A 30 6.389 -6.327 3.168 1.00 0.00 O ATOM 484 CB GLU A 30 6.256 -5.672 0.136 1.00 0.00 C ATOM 485 CG GLU A 30 6.889 -4.255 0.040 1.00 0.00 C ATOM 486 CD GLU A 30 8.206 -4.215 -0.743 1.00 0.00 C ATOM 487 OE1 GLU A 30 9.149 -4.915 -0.344 1.00 0.00 O ATOM 488 OE2 GLU A 30 8.314 -3.480 -1.742 1.00 0.00 O ATOM 0 H GLU A 30 4.399 -4.052 0.244 1.00 0.00 H new ATOM 0 HA GLU A 30 4.698 -6.773 1.184 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.034 -6.394 0.384 1.00 0.00 H new ATOM 0 HB3 GLU A 30 5.860 -5.952 -0.840 1.00 0.00 H new ATOM 0 HG2 GLU A 30 6.176 -3.580 -0.433 1.00 0.00 H new ATOM 0 HG3 GLU A 30 7.065 -3.877 1.047 1.00 0.00 H new ATOM 495 N GLY A 31 5.419 -4.259 3.135 1.00 0.00 N ATOM 496 CA GLY A 31 5.935 -3.800 4.443 1.00 0.00 C ATOM 497 C GLY A 31 7.407 -3.412 4.470 1.00 0.00 C ATOM 498 O GLY A 31 7.924 -3.043 5.536 1.00 0.00 O ATOM 0 H GLY A 31 4.832 -3.569 2.666 1.00 0.00 H new ATOM 0 HA2 GLY A 31 5.345 -2.942 4.765 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.773 -4.591 5.175 1.00 0.00 H new ATOM 502 N TYR A 32 8.076 -3.574 3.308 1.00 0.00 N ATOM 503 CA TYR A 32 9.434 -3.081 3.014 1.00 0.00 C ATOM 504 C TYR A 32 10.521 -4.045 3.554 1.00 0.00 C ATOM 505 O TYR A 32 11.403 -4.467 2.794 1.00 0.00 O ATOM 506 CB TYR A 32 9.631 -1.618 3.522 1.00 0.00 C ATOM 507 CG TYR A 32 10.802 -0.847 2.901 1.00 0.00 C ATOM 508 CD1 TYR A 32 11.144 -1.017 1.559 1.00 0.00 C ATOM 509 CD2 TYR A 32 11.525 0.090 3.640 1.00 0.00 C ATOM 510 CE1 TYR A 32 12.151 -0.282 0.979 1.00 0.00 C ATOM 511 CE2 TYR A 32 12.543 0.818 3.061 1.00 0.00 C ATOM 512 CZ TYR A 32 12.849 0.629 1.731 1.00 0.00 C ATOM 513 OH TYR A 32 13.841 1.379 1.136 1.00 0.00 O ATOM 0 H TYR A 32 7.666 -4.073 2.519 1.00 0.00 H new ATOM 0 HA TYR A 32 9.550 -3.057 1.930 1.00 0.00 H new ATOM 0 HB2 TYR A 32 8.713 -1.061 3.333 1.00 0.00 H new ATOM 0 HB3 TYR A 32 9.771 -1.645 4.603 1.00 0.00 H new ATOM 0 HD1 TYR A 32 10.607 -1.741 0.964 1.00 0.00 H new ATOM 0 HD2 TYR A 32 11.284 0.247 4.681 1.00 0.00 H new ATOM 0 HE1 TYR A 32 12.392 -0.421 -0.065 1.00 0.00 H new ATOM 0 HE2 TYR A 32 13.099 1.534 3.648 1.00 0.00 H new ATOM 0 HH TYR A 32 13.481 1.825 0.341 1.00 0.00 H new ATOM 523 N LYS A 33 10.451 -4.381 4.859 1.00 0.00 N ATOM 524 CA LYS A 33 11.409 -5.299 5.515 1.00 0.00 C ATOM 525 C LYS A 33 10.884 -5.762 6.885 1.00 0.00 C ATOM 526 O LYS A 33 10.738 -6.960 7.126 1.00 0.00 O ATOM 527 CB LYS A 33 12.804 -4.619 5.684 1.00 0.00 C ATOM 528 CG LYS A 33 13.849 -5.455 6.476 1.00 0.00 C ATOM 529 CD LYS A 33 14.195 -6.812 5.812 1.00 0.00 C ATOM 530 CE LYS A 33 14.828 -6.635 4.426 1.00 0.00 C ATOM 531 NZ LYS A 33 16.115 -5.892 4.476 1.00 0.00 N ATOM 0 H LYS A 33 9.731 -4.025 5.488 1.00 0.00 H new ATOM 0 HA LYS A 33 11.519 -6.172 4.872 1.00 0.00 H new ATOM 0 HB2 LYS A 33 13.208 -4.402 4.695 1.00 0.00 H new ATOM 0 HB3 LYS A 33 12.667 -3.663 6.189 1.00 0.00 H new ATOM 0 HG2 LYS A 33 14.762 -4.870 6.584 1.00 0.00 H new ATOM 0 HG3 LYS A 33 13.468 -5.639 7.480 1.00 0.00 H new ATOM 0 HD2 LYS A 33 14.881 -7.365 6.455 1.00 0.00 H new ATOM 0 HD3 LYS A 33 13.289 -7.412 5.722 1.00 0.00 H new ATOM 0 HE2 LYS A 33 14.996 -7.615 3.979 1.00 0.00 H new ATOM 0 HE3 LYS A 33 14.131 -6.104 3.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 16.559 -5.902 3.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 15.937 -4.909 4.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 16.751 -6.345 5.164 1.00 0.00 H new ATOM 545 N ALA A 34 10.603 -4.803 7.768 1.00 0.00 N ATOM 546 CA ALA A 34 10.314 -5.058 9.197 1.00 0.00 C ATOM 547 C ALA A 34 9.285 -4.042 9.694 1.00 0.00 C ATOM 548 O ALA A 34 8.734 -3.298 8.878 1.00 0.00 O ATOM 549 CB ALA A 34 11.619 -4.974 10.003 1.00 0.00 C ATOM 0 H ALA A 34 10.567 -3.815 7.518 1.00 0.00 H new ATOM 0 HA ALA A 34 9.897 -6.057 9.327 1.00 0.00 H new ATOM 0 HB1 ALA A 34 11.409 -5.161 11.056 1.00 0.00 H new ATOM 0 HB2 ALA A 34 12.323 -5.721 9.635 1.00 0.00 H new ATOM 0 HB3 ALA A 34 12.053 -3.980 9.891 1.00 0.00 H new ATOM 555 N LYS A 35 9.014 -4.001 11.021 1.00 0.00 N ATOM 556 CA LYS A 35 8.085 -3.026 11.616 1.00 0.00 C ATOM 557 C LYS A 35 8.629 -1.593 11.468 1.00 0.00 C ATOM 558 O LYS A 35 7.919 -0.699 11.021 1.00 0.00 O ATOM 559 CB LYS A 35 7.869 -3.347 13.121 1.00 0.00 C ATOM 560 CG LYS A 35 6.957 -2.335 13.864 1.00 0.00 C ATOM 561 CD LYS A 35 6.991 -2.489 15.403 1.00 0.00 C ATOM 562 CE LYS A 35 6.378 -3.810 15.898 1.00 0.00 C ATOM 563 NZ LYS A 35 4.920 -3.887 15.628 1.00 0.00 N ATOM 0 H LYS A 35 9.432 -4.639 11.698 1.00 0.00 H new ATOM 0 HA LYS A 35 7.133 -3.096 11.089 1.00 0.00 H new ATOM 0 HB2 LYS A 35 7.435 -4.343 13.210 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.839 -3.377 13.617 1.00 0.00 H new ATOM 0 HG2 LYS A 35 7.262 -1.322 13.601 1.00 0.00 H new ATOM 0 HG3 LYS A 35 5.931 -2.459 13.517 1.00 0.00 H new ATOM 0 HD2 LYS A 35 8.024 -2.426 15.744 1.00 0.00 H new ATOM 0 HD3 LYS A 35 6.454 -1.656 15.856 1.00 0.00 H new ATOM 0 HE2 LYS A 35 6.881 -4.646 15.412 1.00 0.00 H new ATOM 0 HE3 LYS A 35 6.553 -3.911 16.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 4.553 -4.801 15.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 4.433 -3.115 16.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 4.751 -3.800 14.605 1.00 0.00 H new ATOM 577 N ALA A 36 9.901 -1.402 11.853 1.00 0.00 N ATOM 578 CA ALA A 36 10.592 -0.097 11.755 1.00 0.00 C ATOM 579 C ALA A 36 10.572 0.437 10.309 1.00 0.00 C ATOM 580 O ALA A 36 10.343 1.625 10.075 1.00 0.00 O ATOM 581 CB ALA A 36 12.031 -0.216 12.280 1.00 0.00 C ATOM 0 H ALA A 36 10.483 -2.144 12.241 1.00 0.00 H new ATOM 0 HA ALA A 36 10.057 0.621 12.376 1.00 0.00 H new ATOM 0 HB1 ALA A 36 12.528 0.751 12.202 1.00 0.00 H new ATOM 0 HB2 ALA A 36 12.013 -0.532 13.323 1.00 0.00 H new ATOM 0 HB3 ALA A 36 12.575 -0.952 11.688 1.00 0.00 H new ATOM 587 N SER A 37 10.755 -0.489 9.351 1.00 0.00 N ATOM 588 CA SER A 37 10.719 -0.191 7.910 1.00 0.00 C ATOM 589 C SER A 37 9.282 0.088 7.441 1.00 0.00 C ATOM 590 O SER A 37 9.074 0.849 6.494 1.00 0.00 O ATOM 591 CB SER A 37 11.296 -1.379 7.121 1.00 0.00 C ATOM 592 OG SER A 37 12.538 -1.800 7.656 1.00 0.00 O ATOM 0 H SER A 37 10.933 -1.472 9.558 1.00 0.00 H new ATOM 0 HA SER A 37 11.320 0.700 7.729 1.00 0.00 H new ATOM 0 HB2 SER A 37 10.589 -2.209 7.141 1.00 0.00 H new ATOM 0 HB3 SER A 37 11.425 -1.096 6.076 1.00 0.00 H new ATOM 0 HG SER A 37 12.426 -2.666 8.102 1.00 0.00 H new ATOM 598 N ALA A 38 8.307 -0.555 8.116 1.00 0.00 N ATOM 599 CA ALA A 38 6.872 -0.406 7.822 1.00 0.00 C ATOM 600 C ALA A 38 6.398 1.016 8.160 1.00 0.00 C ATOM 601 O ALA A 38 5.821 1.688 7.308 1.00 0.00 O ATOM 602 CB ALA A 38 6.037 -1.458 8.581 1.00 0.00 C ATOM 0 H ALA A 38 8.498 -1.196 8.886 1.00 0.00 H new ATOM 0 HA ALA A 38 6.726 -0.573 6.755 1.00 0.00 H new ATOM 0 HB1 ALA A 38 4.981 -1.324 8.345 1.00 0.00 H new ATOM 0 HB2 ALA A 38 6.352 -2.458 8.281 1.00 0.00 H new ATOM 0 HB3 ALA A 38 6.187 -1.337 9.654 1.00 0.00 H new ATOM 608 N ILE A 39 6.636 1.463 9.422 1.00 0.00 N ATOM 609 CA ILE A 39 6.329 2.841 9.870 1.00 0.00 C ATOM 610 C ILE A 39 7.060 3.878 8.988 1.00 0.00 C ATOM 611 O ILE A 39 6.431 4.826 8.535 1.00 0.00 O ATOM 612 CB ILE A 39 6.675 3.080 11.412 1.00 0.00 C ATOM 613 CG1 ILE A 39 5.633 2.390 12.367 1.00 0.00 C ATOM 614 CG2 ILE A 39 6.786 4.593 11.769 1.00 0.00 C ATOM 615 CD1 ILE A 39 5.658 0.876 12.402 1.00 0.00 C ATOM 0 H ILE A 39 7.044 0.878 10.151 1.00 0.00 H new ATOM 0 HA ILE A 39 5.253 2.973 9.760 1.00 0.00 H new ATOM 0 HB ILE A 39 7.650 2.618 11.567 1.00 0.00 H new ATOM 0 HG12 ILE A 39 5.799 2.759 13.379 1.00 0.00 H new ATOM 0 HG13 ILE A 39 4.634 2.709 12.072 1.00 0.00 H new ATOM 0 HG21 ILE A 39 7.022 4.701 12.828 1.00 0.00 H new ATOM 0 HG22 ILE A 39 7.575 5.051 11.173 1.00 0.00 H new ATOM 0 HG23 ILE A 39 5.838 5.087 11.557 1.00 0.00 H new ATOM 0 HD11 ILE A 39 4.897 0.515 13.094 1.00 0.00 H new ATOM 0 HD12 ILE A 39 5.456 0.486 11.405 1.00 0.00 H new ATOM 0 HD13 ILE A 39 6.639 0.536 12.733 1.00 0.00 H new ATOM 627 N HIS A 40 8.381 3.674 8.752 1.00 0.00 N ATOM 628 CA HIS A 40 9.214 4.590 7.916 1.00 0.00 C ATOM 629 C HIS A 40 8.635 4.743 6.496 1.00 0.00 C ATOM 630 O HIS A 40 8.647 5.852 5.914 1.00 0.00 O ATOM 631 CB HIS A 40 10.701 4.116 7.853 1.00 0.00 C ATOM 632 CG HIS A 40 11.574 4.727 8.920 1.00 0.00 C ATOM 633 ND1 HIS A 40 12.228 5.931 8.741 1.00 0.00 N ATOM 634 CD2 HIS A 40 11.905 4.311 10.163 1.00 0.00 C ATOM 635 CE1 HIS A 40 12.914 6.227 9.825 1.00 0.00 C ATOM 636 NE2 HIS A 40 12.732 5.261 10.700 1.00 0.00 N ATOM 0 H HIS A 40 8.899 2.880 9.129 1.00 0.00 H new ATOM 0 HA HIS A 40 9.192 5.568 8.397 1.00 0.00 H new ATOM 0 HB2 HIS A 40 10.732 3.031 7.947 1.00 0.00 H new ATOM 0 HB3 HIS A 40 11.111 4.363 6.874 1.00 0.00 H new ATOM 0 HD2 HIS A 40 11.578 3.400 10.643 1.00 0.00 H new ATOM 0 HE1 HIS A 40 13.520 7.109 9.971 1.00 0.00 H new ATOM 0 HE2 HIS A 40 13.143 5.226 11.633 1.00 0.00 H new ATOM 645 N ALA A 41 8.122 3.633 5.948 1.00 0.00 N ATOM 646 CA ALA A 41 7.420 3.635 4.669 1.00 0.00 C ATOM 647 C ALA A 41 6.175 4.529 4.774 1.00 0.00 C ATOM 648 O ALA A 41 6.035 5.495 4.029 1.00 0.00 O ATOM 649 CB ALA A 41 7.064 2.198 4.251 1.00 0.00 C ATOM 0 H ALA A 41 8.185 2.712 6.383 1.00 0.00 H new ATOM 0 HA ALA A 41 8.067 4.043 3.892 1.00 0.00 H new ATOM 0 HB1 ALA A 41 6.541 2.216 3.295 1.00 0.00 H new ATOM 0 HB2 ALA A 41 7.977 1.611 4.154 1.00 0.00 H new ATOM 0 HB3 ALA A 41 6.422 1.748 5.008 1.00 0.00 H new ATOM 655 N ILE A 42 5.334 4.266 5.777 1.00 0.00 N ATOM 656 CA ILE A 42 4.113 5.054 6.023 1.00 0.00 C ATOM 657 C ILE A 42 4.439 6.547 6.258 1.00 0.00 C ATOM 658 O ILE A 42 3.642 7.420 5.910 1.00 0.00 O ATOM 659 CB ILE A 42 3.305 4.474 7.225 1.00 0.00 C ATOM 660 CG1 ILE A 42 2.932 2.989 6.940 1.00 0.00 C ATOM 661 CG2 ILE A 42 2.039 5.318 7.515 1.00 0.00 C ATOM 662 CD1 ILE A 42 2.424 2.235 8.138 1.00 0.00 C ATOM 0 H ILE A 42 5.475 3.505 6.442 1.00 0.00 H new ATOM 0 HA ILE A 42 3.495 4.984 5.128 1.00 0.00 H new ATOM 0 HB ILE A 42 3.932 4.517 8.116 1.00 0.00 H new ATOM 0 HG12 ILE A 42 2.172 2.961 6.159 1.00 0.00 H new ATOM 0 HG13 ILE A 42 3.810 2.475 6.548 1.00 0.00 H new ATOM 0 HG21 ILE A 42 1.499 4.886 8.358 1.00 0.00 H new ATOM 0 HG22 ILE A 42 2.331 6.340 7.756 1.00 0.00 H new ATOM 0 HG23 ILE A 42 1.395 5.322 6.636 1.00 0.00 H new ATOM 0 HD11 ILE A 42 2.188 1.210 7.850 1.00 0.00 H new ATOM 0 HD12 ILE A 42 3.189 2.227 8.914 1.00 0.00 H new ATOM 0 HD13 ILE A 42 1.526 2.720 8.519 1.00 0.00 H new ATOM 674 N GLU A 43 5.652 6.827 6.769 1.00 0.00 N ATOM 675 CA GLU A 43 6.115 8.197 7.025 1.00 0.00 C ATOM 676 C GLU A 43 6.190 8.981 5.713 1.00 0.00 C ATOM 677 O GLU A 43 5.804 10.149 5.681 1.00 0.00 O ATOM 678 CB GLU A 43 7.482 8.221 7.763 1.00 0.00 C ATOM 679 CG GLU A 43 7.430 7.759 9.231 1.00 0.00 C ATOM 680 CD GLU A 43 6.437 8.568 10.072 1.00 0.00 C ATOM 681 OE1 GLU A 43 6.689 9.773 10.296 1.00 0.00 O ATOM 682 OE2 GLU A 43 5.403 8.013 10.505 1.00 0.00 O ATOM 0 H GLU A 43 6.335 6.110 7.014 1.00 0.00 H new ATOM 0 HA GLU A 43 5.390 8.676 7.683 1.00 0.00 H new ATOM 0 HB2 GLU A 43 8.183 7.586 7.221 1.00 0.00 H new ATOM 0 HB3 GLU A 43 7.880 9.235 7.730 1.00 0.00 H new ATOM 0 HG2 GLU A 43 7.155 6.705 9.266 1.00 0.00 H new ATOM 0 HG3 GLU A 43 8.424 7.844 9.669 1.00 0.00 H new ATOM 689 N SER A 44 6.652 8.311 4.634 1.00 0.00 N ATOM 690 CA SER A 44 6.630 8.880 3.264 1.00 0.00 C ATOM 691 C SER A 44 5.230 9.343 2.855 1.00 0.00 C ATOM 692 O SER A 44 5.080 10.387 2.192 1.00 0.00 O ATOM 693 CB SER A 44 7.131 7.842 2.237 1.00 0.00 C ATOM 694 OG SER A 44 8.542 7.717 2.273 1.00 0.00 O ATOM 0 H SER A 44 7.047 7.372 4.684 1.00 0.00 H new ATOM 0 HA SER A 44 7.292 9.746 3.274 1.00 0.00 H new ATOM 0 HB2 SER A 44 6.673 6.874 2.443 1.00 0.00 H new ATOM 0 HB3 SER A 44 6.816 8.137 1.236 1.00 0.00 H new ATOM 0 HG SER A 44 8.913 7.945 1.395 1.00 0.00 H new ATOM 700 N ILE A 45 4.212 8.558 3.254 1.00 0.00 N ATOM 701 CA ILE A 45 2.832 8.816 2.851 1.00 0.00 C ATOM 702 C ILE A 45 2.344 10.099 3.545 1.00 0.00 C ATOM 703 O ILE A 45 1.687 10.951 2.935 1.00 0.00 O ATOM 704 CB ILE A 45 1.826 7.621 3.163 1.00 0.00 C ATOM 705 CG1 ILE A 45 2.493 6.210 3.047 1.00 0.00 C ATOM 706 CG2 ILE A 45 0.651 7.692 2.182 1.00 0.00 C ATOM 707 CD1 ILE A 45 2.886 5.786 1.652 1.00 0.00 C ATOM 0 H ILE A 45 4.327 7.742 3.855 1.00 0.00 H new ATOM 0 HA ILE A 45 2.837 8.925 1.766 1.00 0.00 H new ATOM 0 HB ILE A 45 1.496 7.740 4.195 1.00 0.00 H new ATOM 0 HG12 ILE A 45 3.383 6.196 3.676 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.805 5.468 3.452 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -0.044 6.878 2.387 1.00 0.00 H new ATOM 0 HG22 ILE A 45 0.137 8.646 2.299 1.00 0.00 H new ATOM 0 HG23 ILE A 45 1.023 7.603 1.161 1.00 0.00 H new ATOM 0 HD11 ILE A 45 3.338 4.795 1.687 1.00 0.00 H new ATOM 0 HD12 ILE A 45 2.001 5.759 1.017 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.603 6.498 1.244 1.00 0.00 H new ATOM 719 N LYS A 46 2.728 10.234 4.828 1.00 0.00 N ATOM 720 CA LYS A 46 2.323 11.354 5.702 1.00 0.00 C ATOM 721 C LYS A 46 2.810 12.722 5.221 1.00 0.00 C ATOM 722 O LYS A 46 2.249 13.754 5.591 1.00 0.00 O ATOM 723 CB LYS A 46 2.821 11.115 7.164 1.00 0.00 C ATOM 724 CG LYS A 46 2.521 9.713 7.758 1.00 0.00 C ATOM 725 CD LYS A 46 1.083 9.220 7.472 1.00 0.00 C ATOM 726 CE LYS A 46 0.014 10.220 7.917 1.00 0.00 C ATOM 727 NZ LYS A 46 -0.061 10.348 9.382 1.00 0.00 N ATOM 0 H LYS A 46 3.336 9.560 5.294 1.00 0.00 H new ATOM 0 HA LYS A 46 1.234 11.374 5.667 1.00 0.00 H new ATOM 0 HB2 LYS A 46 3.898 11.278 7.192 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.368 11.867 7.810 1.00 0.00 H new ATOM 0 HG2 LYS A 46 3.232 8.994 7.350 1.00 0.00 H new ATOM 0 HG3 LYS A 46 2.680 9.742 8.836 1.00 0.00 H new ATOM 0 HD2 LYS A 46 0.974 9.030 6.404 1.00 0.00 H new ATOM 0 HD3 LYS A 46 0.921 8.271 7.982 1.00 0.00 H new ATOM 0 HE2 LYS A 46 0.229 11.195 7.480 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -0.956 9.905 7.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -1.008 10.066 9.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 0.653 9.733 9.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 0.118 11.336 9.654 1.00 0.00 H new ATOM 741 N ARG A 47 3.853 12.704 4.405 1.00 0.00 N ATOM 742 CA ARG A 47 4.552 13.923 3.964 1.00 0.00 C ATOM 743 C ARG A 47 3.708 14.737 2.949 1.00 0.00 C ATOM 744 O ARG A 47 3.329 15.884 3.226 1.00 0.00 O ATOM 745 CB ARG A 47 5.947 13.566 3.378 1.00 0.00 C ATOM 746 CG ARG A 47 6.867 12.750 4.317 1.00 0.00 C ATOM 747 CD ARG A 47 6.998 13.350 5.735 1.00 0.00 C ATOM 748 NE ARG A 47 7.958 12.591 6.575 1.00 0.00 N ATOM 749 CZ ARG A 47 7.657 11.906 7.699 1.00 0.00 C ATOM 750 NH1 ARG A 47 6.402 11.794 8.116 1.00 0.00 N ATOM 751 NH2 ARG A 47 8.621 11.310 8.389 1.00 0.00 N ATOM 0 H ARG A 47 4.248 11.845 4.023 1.00 0.00 H new ATOM 0 HA ARG A 47 4.697 14.558 4.838 1.00 0.00 H new ATOM 0 HB2 ARG A 47 5.803 13.002 2.457 1.00 0.00 H new ATOM 0 HB3 ARG A 47 6.458 14.491 3.109 1.00 0.00 H new ATOM 0 HG2 ARG A 47 6.481 11.734 4.396 1.00 0.00 H new ATOM 0 HG3 ARG A 47 7.858 12.680 3.869 1.00 0.00 H new ATOM 0 HD2 ARG A 47 7.323 14.388 5.661 1.00 0.00 H new ATOM 0 HD3 ARG A 47 6.021 13.356 6.217 1.00 0.00 H new ATOM 0 HE ARG A 47 8.933 12.586 6.276 1.00 0.00 H new ATOM 0 HH11 ARG A 47 5.647 12.229 7.585 1.00 0.00 H new ATOM 0 HH12 ARG A 47 6.192 11.273 8.967 1.00 0.00 H new ATOM 0 HH21 ARG A 47 9.588 11.370 8.070 1.00 0.00 H new ATOM 0 HH22 ARG A 47 8.395 10.792 9.238 1.00 0.00 H new ATOM 765 N ASN A 48 3.377 14.113 1.801 1.00 0.00 N ATOM 766 CA ASN A 48 2.753 14.823 0.648 1.00 0.00 C ATOM 767 C ASN A 48 2.121 13.820 -0.343 1.00 0.00 C ATOM 768 O ASN A 48 1.828 14.172 -1.471 1.00 0.00 O ATOM 769 CB ASN A 48 3.817 15.747 -0.044 1.00 0.00 C ATOM 770 CG ASN A 48 3.285 16.702 -1.129 1.00 0.00 C ATOM 771 OD1 ASN A 48 3.258 16.370 -2.317 1.00 0.00 O ATOM 772 ND2 ASN A 48 2.880 17.896 -0.730 1.00 0.00 N ATOM 0 H ASN A 48 3.529 13.117 1.640 1.00 0.00 H new ATOM 0 HA ASN A 48 1.943 15.455 1.012 1.00 0.00 H new ATOM 0 HB2 ASN A 48 4.307 16.343 0.727 1.00 0.00 H new ATOM 0 HB3 ASN A 48 4.583 15.113 -0.491 1.00 0.00 H new ATOM 0 HD21 ASN A 48 2.533 18.571 -1.412 1.00 0.00 H new ATOM 0 HD22 ASN A 48 2.914 18.142 0.259 1.00 0.00 H new ATOM 779 N SER A 49 1.889 12.568 0.089 1.00 0.00 N ATOM 780 CA SER A 49 1.375 11.499 -0.810 1.00 0.00 C ATOM 781 C SER A 49 -0.045 11.802 -1.333 1.00 0.00 C ATOM 782 O SER A 49 -0.391 11.426 -2.457 1.00 0.00 O ATOM 783 CB SER A 49 1.390 10.161 -0.097 1.00 0.00 C ATOM 784 OG SER A 49 1.077 9.100 -0.966 1.00 0.00 O ATOM 0 H SER A 49 2.046 12.264 1.050 1.00 0.00 H new ATOM 0 HA SER A 49 2.039 11.461 -1.674 1.00 0.00 H new ATOM 0 HB2 SER A 49 2.374 9.994 0.340 1.00 0.00 H new ATOM 0 HB3 SER A 49 0.675 10.180 0.725 1.00 0.00 H new ATOM 0 HG SER A 49 1.176 9.398 -1.894 1.00 0.00 H new ATOM 790 N ALA A 50 -0.850 12.491 -0.503 1.00 0.00 N ATOM 791 CA ALA A 50 -2.169 12.997 -0.912 1.00 0.00 C ATOM 792 C ALA A 50 -2.061 14.044 -2.045 1.00 0.00 C ATOM 793 O ALA A 50 -3.017 14.257 -2.792 1.00 0.00 O ATOM 794 CB ALA A 50 -2.917 13.553 0.304 1.00 0.00 C ATOM 0 H ALA A 50 -0.605 12.710 0.463 1.00 0.00 H new ATOM 0 HA ALA A 50 -2.742 12.164 -1.318 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -3.893 13.926 -0.008 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -3.050 12.762 1.042 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.341 14.367 0.744 1.00 0.00 H new ATOM 800 N GLY A 51 -0.884 14.685 -2.158 1.00 0.00 N ATOM 801 CA GLY A 51 -0.587 15.612 -3.258 1.00 0.00 C ATOM 802 C GLY A 51 0.362 15.037 -4.311 1.00 0.00 C ATOM 803 O GLY A 51 0.564 15.665 -5.355 1.00 0.00 O ATOM 0 H GLY A 51 -0.119 14.574 -1.493 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -1.521 15.898 -3.742 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -0.150 16.521 -2.846 1.00 0.00 H new ATOM 807 N ALA A 52 0.941 13.843 -4.040 1.00 0.00 N ATOM 808 CA ALA A 52 1.911 13.170 -4.944 1.00 0.00 C ATOM 809 C ALA A 52 1.274 12.820 -6.292 1.00 0.00 C ATOM 810 O ALA A 52 0.074 12.605 -6.362 1.00 0.00 O ATOM 811 CB ALA A 52 2.461 11.897 -4.277 1.00 0.00 C ATOM 0 H ALA A 52 0.750 13.317 -3.188 1.00 0.00 H new ATOM 0 HA ALA A 52 2.730 13.865 -5.130 1.00 0.00 H new ATOM 0 HB1 ALA A 52 3.170 11.412 -4.948 1.00 0.00 H new ATOM 0 HB2 ALA A 52 2.964 12.162 -3.347 1.00 0.00 H new ATOM 0 HB3 ALA A 52 1.639 11.214 -4.063 1.00 0.00 H new ATOM 817 N ASP A 53 2.078 12.765 -7.361 1.00 0.00 N ATOM 818 CA ASP A 53 1.568 12.429 -8.706 1.00 0.00 C ATOM 819 C ASP A 53 1.306 10.911 -8.820 1.00 0.00 C ATOM 820 O ASP A 53 1.771 10.118 -7.994 1.00 0.00 O ATOM 821 CB ASP A 53 2.543 12.938 -9.804 1.00 0.00 C ATOM 822 CG ASP A 53 1.963 12.858 -11.234 1.00 0.00 C ATOM 823 OD1 ASP A 53 0.864 13.410 -11.468 1.00 0.00 O ATOM 824 OD2 ASP A 53 2.579 12.240 -12.125 1.00 0.00 O ATOM 0 H ASP A 53 3.081 12.947 -7.326 1.00 0.00 H new ATOM 0 HA ASP A 53 0.616 12.936 -8.860 1.00 0.00 H new ATOM 0 HB2 ASP A 53 2.812 13.972 -9.588 1.00 0.00 H new ATOM 0 HB3 ASP A 53 3.462 12.354 -9.761 1.00 0.00 H new ATOM 829 N THR A 54 0.472 10.529 -9.781 1.00 0.00 N ATOM 830 CA THR A 54 0.193 9.122 -10.087 1.00 0.00 C ATOM 831 C THR A 54 0.601 8.817 -11.544 1.00 0.00 C ATOM 832 O THR A 54 -0.109 9.171 -12.491 1.00 0.00 O ATOM 833 CB THR A 54 -1.321 8.834 -9.815 1.00 0.00 C ATOM 834 OG1 THR A 54 -1.643 9.248 -8.471 1.00 0.00 O ATOM 835 CG2 THR A 54 -1.702 7.355 -9.981 1.00 0.00 C ATOM 0 H THR A 54 -0.034 11.186 -10.375 1.00 0.00 H new ATOM 0 HA THR A 54 0.778 8.463 -9.446 1.00 0.00 H new ATOM 0 HB THR A 54 -1.888 9.396 -10.557 1.00 0.00 H new ATOM 0 HG1 THR A 54 -2.591 9.073 -8.293 1.00 0.00 H new ATOM 0 HG21 THR A 54 -2.765 7.228 -9.777 1.00 0.00 H new ATOM 0 HG22 THR A 54 -1.487 7.036 -11.001 1.00 0.00 H new ATOM 0 HG23 THR A 54 -1.124 6.750 -9.283 1.00 0.00 H new ATOM 843 N VAL A 55 1.795 8.217 -11.695 1.00 0.00 N ATOM 844 CA VAL A 55 2.383 7.837 -12.995 1.00 0.00 C ATOM 845 C VAL A 55 2.139 6.341 -13.247 1.00 0.00 C ATOM 846 O VAL A 55 2.483 5.521 -12.401 1.00 0.00 O ATOM 847 CB VAL A 55 3.939 8.097 -13.023 1.00 0.00 C ATOM 848 CG1 VAL A 55 4.528 7.805 -14.426 1.00 0.00 C ATOM 849 CG2 VAL A 55 4.288 9.524 -12.551 1.00 0.00 C ATOM 0 H VAL A 55 2.391 7.977 -10.903 1.00 0.00 H new ATOM 0 HA VAL A 55 1.910 8.445 -13.766 1.00 0.00 H new ATOM 0 HB VAL A 55 4.399 7.405 -12.318 1.00 0.00 H new ATOM 0 HG11 VAL A 55 5.602 7.993 -14.416 1.00 0.00 H new ATOM 0 HG12 VAL A 55 4.344 6.763 -14.688 1.00 0.00 H new ATOM 0 HG13 VAL A 55 4.053 8.454 -15.162 1.00 0.00 H new ATOM 0 HG21 VAL A 55 5.368 9.664 -12.584 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.807 10.251 -13.205 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.935 9.666 -11.529 1.00 0.00 H new ATOM 859 N ASP A 56 1.545 6.004 -14.400 1.00 0.00 N ATOM 860 CA ASP A 56 1.346 4.608 -14.823 1.00 0.00 C ATOM 861 C ASP A 56 2.439 4.190 -15.830 1.00 0.00 C ATOM 862 O ASP A 56 2.474 4.694 -16.958 1.00 0.00 O ATOM 863 CB ASP A 56 -0.068 4.428 -15.432 1.00 0.00 C ATOM 864 CG ASP A 56 -0.391 2.961 -15.755 1.00 0.00 C ATOM 865 OD1 ASP A 56 0.113 2.436 -16.776 1.00 0.00 O ATOM 866 OD2 ASP A 56 -1.147 2.319 -14.999 1.00 0.00 O ATOM 0 H ASP A 56 1.189 6.689 -15.066 1.00 0.00 H new ATOM 0 HA ASP A 56 1.426 3.961 -13.949 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -0.811 4.815 -14.735 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -0.145 5.022 -16.343 1.00 0.00 H new ATOM 871 N LEU A 57 3.332 3.283 -15.397 1.00 0.00 N ATOM 872 CA LEU A 57 4.375 2.685 -16.250 1.00 0.00 C ATOM 873 C LEU A 57 3.821 1.559 -17.161 1.00 0.00 C ATOM 874 O LEU A 57 4.308 1.394 -18.274 1.00 0.00 O ATOM 875 CB LEU A 57 5.516 2.116 -15.367 1.00 0.00 C ATOM 876 CG LEU A 57 6.179 3.124 -14.379 1.00 0.00 C ATOM 877 CD1 LEU A 57 7.268 2.431 -13.534 1.00 0.00 C ATOM 878 CD2 LEU A 57 6.736 4.367 -15.121 1.00 0.00 C ATOM 0 H LEU A 57 3.350 2.941 -14.436 1.00 0.00 H new ATOM 0 HA LEU A 57 4.754 3.477 -16.896 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.121 1.279 -14.791 1.00 0.00 H new ATOM 0 HB3 LEU A 57 6.290 1.715 -16.021 1.00 0.00 H new ATOM 0 HG LEU A 57 5.406 3.479 -13.697 1.00 0.00 H new ATOM 0 HD11 LEU A 57 7.715 3.155 -12.853 1.00 0.00 H new ATOM 0 HD12 LEU A 57 6.821 1.620 -12.959 1.00 0.00 H new ATOM 0 HD13 LEU A 57 8.038 2.028 -14.192 1.00 0.00 H new ATOM 0 HD21 LEU A 57 7.191 5.047 -14.401 1.00 0.00 H new ATOM 0 HD22 LEU A 57 7.486 4.052 -15.846 1.00 0.00 H new ATOM 0 HD23 LEU A 57 5.923 4.877 -15.638 1.00 0.00 H new ATOM 890 N THR A 58 2.777 0.829 -16.705 1.00 0.00 N ATOM 891 CA THR A 58 2.342 -0.455 -17.335 1.00 0.00 C ATOM 892 C THR A 58 1.440 -0.253 -18.587 1.00 0.00 C ATOM 893 O THR A 58 0.849 -1.212 -19.095 1.00 0.00 O ATOM 894 CB THR A 58 1.641 -1.384 -16.278 1.00 0.00 C ATOM 895 OG1 THR A 58 1.324 -2.677 -16.823 1.00 0.00 O ATOM 896 CG2 THR A 58 0.379 -0.755 -15.666 1.00 0.00 C ATOM 0 H THR A 58 2.213 1.103 -15.900 1.00 0.00 H new ATOM 0 HA THR A 58 3.248 -0.946 -17.692 1.00 0.00 H new ATOM 0 HB THR A 58 2.371 -1.508 -15.478 1.00 0.00 H new ATOM 0 HG1 THR A 58 1.063 -2.581 -17.763 1.00 0.00 H new ATOM 0 HG21 THR A 58 -0.058 -1.445 -14.945 1.00 0.00 H new ATOM 0 HG22 THR A 58 0.643 0.176 -15.164 1.00 0.00 H new ATOM 0 HG23 THR A 58 -0.344 -0.549 -16.455 1.00 0.00 H new ATOM 904 N THR A 59 1.372 0.986 -19.105 1.00 0.00 N ATOM 905 CA THR A 59 0.761 1.285 -20.417 1.00 0.00 C ATOM 906 C THR A 59 1.742 0.867 -21.540 1.00 0.00 C ATOM 907 O THR A 59 2.361 1.710 -22.203 1.00 0.00 O ATOM 908 CB THR A 59 0.393 2.811 -20.517 1.00 0.00 C ATOM 909 OG1 THR A 59 1.441 3.603 -19.922 1.00 0.00 O ATOM 910 CG2 THR A 59 -0.949 3.143 -19.840 1.00 0.00 C ATOM 0 H THR A 59 1.738 1.810 -18.628 1.00 0.00 H new ATOM 0 HA THR A 59 -0.164 0.719 -20.530 1.00 0.00 H new ATOM 0 HB THR A 59 0.290 3.048 -21.576 1.00 0.00 H new ATOM 0 HG1 THR A 59 1.210 4.553 -19.987 1.00 0.00 H new ATOM 0 HG21 THR A 59 -1.153 4.209 -19.939 1.00 0.00 H new ATOM 0 HG22 THR A 59 -1.748 2.575 -20.317 1.00 0.00 H new ATOM 0 HG23 THR A 59 -0.898 2.880 -18.783 1.00 0.00 H new ATOM 961 N MET B 1 9.655 15.156 -7.265 1.00 0.00 N ATOM 962 CA MET B 1 9.640 15.020 -5.788 1.00 0.00 C ATOM 963 C MET B 1 9.497 13.530 -5.419 1.00 0.00 C ATOM 964 O MET B 1 10.487 12.872 -5.089 1.00 0.00 O ATOM 965 CB MET B 1 8.496 15.890 -5.181 1.00 0.00 C ATOM 966 CG MET B 1 8.533 16.054 -3.654 1.00 0.00 C ATOM 967 SD MET B 1 7.116 16.986 -3.034 1.00 0.00 S ATOM 968 CE MET B 1 7.539 17.198 -1.307 1.00 0.00 C ATOM 0 H1 MET B 1 9.751 16.160 -7.520 1.00 0.00 H new ATOM 0 H2 MET B 1 10.457 14.621 -7.655 1.00 0.00 H new ATOM 0 H3 MET B 1 8.767 14.783 -7.657 1.00 0.00 H new ATOM 0 HA MET B 1 10.577 15.384 -5.366 1.00 0.00 H new ATOM 0 HB2 MET B 1 8.534 16.879 -5.637 1.00 0.00 H new ATOM 0 HB3 MET B 1 7.539 15.448 -5.459 1.00 0.00 H new ATOM 0 HG2 MET B 1 8.552 15.070 -3.185 1.00 0.00 H new ATOM 0 HG3 MET B 1 9.454 16.562 -3.367 1.00 0.00 H new ATOM 0 HE1 MET B 1 6.627 17.266 -0.715 1.00 0.00 H new ATOM 0 HE2 MET B 1 8.128 16.345 -0.969 1.00 0.00 H new ATOM 0 HE3 MET B 1 8.120 18.112 -1.184 1.00 0.00 H new ATOM 978 N TYR B 2 8.252 13.017 -5.484 1.00 0.00 N ATOM 979 CA TYR B 2 7.922 11.584 -5.356 1.00 0.00 C ATOM 980 C TYR B 2 6.481 11.343 -5.834 1.00 0.00 C ATOM 981 O TYR B 2 5.651 12.260 -5.806 1.00 0.00 O ATOM 982 CB TYR B 2 8.141 11.038 -3.921 1.00 0.00 C ATOM 983 CG TYR B 2 7.689 11.937 -2.762 1.00 0.00 C ATOM 984 CD1 TYR B 2 6.352 12.043 -2.392 1.00 0.00 C ATOM 985 CD2 TYR B 2 8.621 12.650 -2.015 1.00 0.00 C ATOM 986 CE1 TYR B 2 5.966 12.832 -1.328 1.00 0.00 C ATOM 987 CE2 TYR B 2 8.245 13.427 -0.955 1.00 0.00 C ATOM 988 CZ TYR B 2 6.922 13.516 -0.613 1.00 0.00 C ATOM 989 OH TYR B 2 6.554 14.289 0.454 1.00 0.00 O ATOM 0 H TYR B 2 7.429 13.602 -5.630 1.00 0.00 H new ATOM 0 HA TYR B 2 8.611 11.028 -5.991 1.00 0.00 H new ATOM 0 HB2 TYR B 2 7.618 10.086 -3.836 1.00 0.00 H new ATOM 0 HB3 TYR B 2 9.204 10.830 -3.795 1.00 0.00 H new ATOM 0 HD1 TYR B 2 5.603 11.498 -2.947 1.00 0.00 H new ATOM 0 HD2 TYR B 2 9.666 12.588 -2.279 1.00 0.00 H new ATOM 0 HE1 TYR B 2 4.923 12.912 -1.059 1.00 0.00 H new ATOM 0 HE2 TYR B 2 8.989 13.969 -0.389 1.00 0.00 H new ATOM 0 HH TYR B 2 7.350 14.702 0.849 1.00 0.00 H new ATOM 999 N LYS B 3 6.187 10.088 -6.230 1.00 0.00 N ATOM 1000 CA LYS B 3 4.916 9.723 -6.893 1.00 0.00 C ATOM 1001 C LYS B 3 4.662 8.205 -6.847 1.00 0.00 C ATOM 1002 O LYS B 3 5.490 7.438 -6.333 1.00 0.00 O ATOM 1003 CB LYS B 3 4.844 10.283 -8.367 1.00 0.00 C ATOM 1004 CG LYS B 3 6.154 10.354 -9.187 1.00 0.00 C ATOM 1005 CD LYS B 3 6.878 9.003 -9.371 1.00 0.00 C ATOM 1006 CE LYS B 3 8.047 9.128 -10.360 1.00 0.00 C ATOM 1007 NZ LYS B 3 8.924 7.947 -10.376 1.00 0.00 N ATOM 0 H LYS B 3 6.821 9.300 -6.100 1.00 0.00 H new ATOM 0 HA LYS B 3 4.113 10.198 -6.329 1.00 0.00 H new ATOM 0 HB2 LYS B 3 4.136 9.668 -8.923 1.00 0.00 H new ATOM 0 HB3 LYS B 3 4.425 11.288 -8.321 1.00 0.00 H new ATOM 0 HG2 LYS B 3 5.928 10.766 -10.171 1.00 0.00 H new ATOM 0 HG3 LYS B 3 6.835 11.051 -8.698 1.00 0.00 H new ATOM 0 HD2 LYS B 3 7.249 8.652 -8.408 1.00 0.00 H new ATOM 0 HD3 LYS B 3 6.172 8.255 -9.732 1.00 0.00 H new ATOM 0 HE2 LYS B 3 7.650 9.291 -11.362 1.00 0.00 H new ATOM 0 HE3 LYS B 3 8.638 10.007 -10.104 1.00 0.00 H new ATOM 0 HZ1 LYS B 3 9.918 8.253 -10.382 1.00 0.00 H new ATOM 0 HZ2 LYS B 3 8.744 7.370 -9.530 1.00 0.00 H new ATOM 0 HZ3 LYS B 3 8.731 7.382 -11.228 1.00 0.00 H new ATOM 1021 N PHE B 4 3.510 7.798 -7.414 1.00 0.00 N ATOM 1022 CA PHE B 4 3.086 6.399 -7.516 1.00 0.00 C ATOM 1023 C PHE B 4 3.393 5.867 -8.919 1.00 0.00 C ATOM 1024 O PHE B 4 2.799 6.320 -9.896 1.00 0.00 O ATOM 1025 CB PHE B 4 1.573 6.274 -7.211 1.00 0.00 C ATOM 1026 CG PHE B 4 1.225 6.506 -5.744 1.00 0.00 C ATOM 1027 CD1 PHE B 4 1.281 5.442 -4.840 1.00 0.00 C ATOM 1028 CD2 PHE B 4 0.856 7.772 -5.259 1.00 0.00 C ATOM 1029 CE1 PHE B 4 0.979 5.625 -3.511 1.00 0.00 C ATOM 1030 CE2 PHE B 4 0.559 7.945 -3.925 1.00 0.00 C ATOM 1031 CZ PHE B 4 0.619 6.871 -3.055 1.00 0.00 C ATOM 0 H PHE B 4 2.839 8.450 -7.820 1.00 0.00 H new ATOM 0 HA PHE B 4 3.635 5.806 -6.784 1.00 0.00 H new ATOM 0 HB2 PHE B 4 1.027 6.992 -7.823 1.00 0.00 H new ATOM 0 HB3 PHE B 4 1.233 5.281 -7.504 1.00 0.00 H new ATOM 0 HD1 PHE B 4 1.566 4.461 -5.190 1.00 0.00 H new ATOM 0 HD2 PHE B 4 0.805 8.613 -5.935 1.00 0.00 H new ATOM 0 HE1 PHE B 4 1.025 4.791 -2.826 1.00 0.00 H new ATOM 0 HE2 PHE B 4 0.279 8.921 -3.558 1.00 0.00 H new ATOM 0 HZ PHE B 4 0.382 7.012 -2.011 1.00 0.00 H new ATOM 1041 N GLU B 5 4.332 4.917 -9.006 1.00 0.00 N ATOM 1042 CA GLU B 5 4.698 4.264 -10.267 1.00 0.00 C ATOM 1043 C GLU B 5 3.885 2.958 -10.386 1.00 0.00 C ATOM 1044 O GLU B 5 4.094 2.025 -9.599 1.00 0.00 O ATOM 1045 CB GLU B 5 6.217 3.960 -10.332 1.00 0.00 C ATOM 1046 CG GLU B 5 7.137 5.164 -10.131 1.00 0.00 C ATOM 1047 CD GLU B 5 8.607 4.838 -10.450 1.00 0.00 C ATOM 1048 OE1 GLU B 5 9.337 4.382 -9.557 1.00 0.00 O ATOM 1049 OE2 GLU B 5 9.040 5.049 -11.601 1.00 0.00 O ATOM 0 H GLU B 5 4.860 4.579 -8.201 1.00 0.00 H new ATOM 0 HA GLU B 5 4.470 4.933 -11.097 1.00 0.00 H new ATOM 0 HB2 GLU B 5 6.453 3.213 -9.574 1.00 0.00 H new ATOM 0 HB3 GLU B 5 6.439 3.512 -11.301 1.00 0.00 H new ATOM 0 HG2 GLU B 5 6.803 5.983 -10.767 1.00 0.00 H new ATOM 0 HG3 GLU B 5 7.060 5.509 -9.100 1.00 0.00 H new ATOM 1056 N ILE B 6 2.956 2.901 -11.357 1.00 0.00 N ATOM 1057 CA ILE B 6 2.025 1.772 -11.524 1.00 0.00 C ATOM 1058 C ILE B 6 2.552 0.854 -12.617 1.00 0.00 C ATOM 1059 O ILE B 6 2.600 1.235 -13.784 1.00 0.00 O ATOM 1060 CB ILE B 6 0.585 2.237 -11.938 1.00 0.00 C ATOM 1061 CG1 ILE B 6 0.105 3.402 -11.034 1.00 0.00 C ATOM 1062 CG2 ILE B 6 -0.414 1.041 -11.907 1.00 0.00 C ATOM 1063 CD1 ILE B 6 -1.127 4.114 -11.555 1.00 0.00 C ATOM 0 H ILE B 6 2.830 3.639 -12.050 1.00 0.00 H new ATOM 0 HA ILE B 6 1.958 1.263 -10.562 1.00 0.00 H new ATOM 0 HB ILE B 6 0.624 2.606 -12.963 1.00 0.00 H new ATOM 0 HG12 ILE B 6 -0.106 3.013 -10.038 1.00 0.00 H new ATOM 0 HG13 ILE B 6 0.914 4.125 -10.929 1.00 0.00 H new ATOM 0 HG21 ILE B 6 -1.406 1.388 -12.198 1.00 0.00 H new ATOM 0 HG22 ILE B 6 -0.081 0.270 -12.602 1.00 0.00 H new ATOM 0 HG23 ILE B 6 -0.455 0.627 -10.899 1.00 0.00 H new ATOM 0 HD11 ILE B 6 -1.401 4.915 -10.869 1.00 0.00 H new ATOM 0 HD12 ILE B 6 -0.916 4.534 -12.538 1.00 0.00 H new ATOM 0 HD13 ILE B 6 -1.951 3.405 -11.633 1.00 0.00 H new ATOM 1075 N TYR B 7 2.910 -0.349 -12.244 1.00 0.00 N ATOM 1076 CA TYR B 7 3.453 -1.342 -13.169 1.00 0.00 C ATOM 1077 C TYR B 7 2.763 -2.684 -12.913 1.00 0.00 C ATOM 1078 O TYR B 7 2.095 -2.857 -11.900 1.00 0.00 O ATOM 1079 CB TYR B 7 4.989 -1.447 -12.990 1.00 0.00 C ATOM 1080 CG TYR B 7 5.385 -1.892 -11.568 1.00 0.00 C ATOM 1081 CD1 TYR B 7 5.486 -0.966 -10.521 1.00 0.00 C ATOM 1082 CD2 TYR B 7 5.593 -3.242 -11.264 1.00 0.00 C ATOM 1083 CE1 TYR B 7 5.780 -1.371 -9.237 1.00 0.00 C ATOM 1084 CE2 TYR B 7 5.895 -3.641 -9.985 1.00 0.00 C ATOM 1085 CZ TYR B 7 5.980 -2.708 -8.976 1.00 0.00 C ATOM 1086 OH TYR B 7 6.271 -3.122 -7.704 1.00 0.00 O ATOM 0 H TYR B 7 2.836 -0.681 -11.282 1.00 0.00 H new ATOM 0 HA TYR B 7 3.263 -1.043 -14.200 1.00 0.00 H new ATOM 0 HB2 TYR B 7 5.389 -2.156 -13.715 1.00 0.00 H new ATOM 0 HB3 TYR B 7 5.444 -0.480 -13.205 1.00 0.00 H new ATOM 0 HD1 TYR B 7 5.331 0.083 -10.724 1.00 0.00 H new ATOM 0 HD2 TYR B 7 5.515 -3.982 -12.047 1.00 0.00 H new ATOM 0 HE1 TYR B 7 5.853 -0.645 -8.441 1.00 0.00 H new ATOM 0 HE2 TYR B 7 6.066 -4.686 -9.771 1.00 0.00 H new ATOM 0 HH TYR B 7 6.381 -4.096 -7.694 1.00 0.00 H new ATOM 1096 N GLN B 8 2.947 -3.634 -13.821 1.00 0.00 N ATOM 1097 CA GLN B 8 2.543 -5.029 -13.582 1.00 0.00 C ATOM 1098 C GLN B 8 3.821 -5.863 -13.464 1.00 0.00 C ATOM 1099 O GLN B 8 4.817 -5.586 -14.139 1.00 0.00 O ATOM 1100 CB GLN B 8 1.580 -5.569 -14.686 1.00 0.00 C ATOM 1101 CG GLN B 8 2.250 -6.127 -15.955 1.00 0.00 C ATOM 1102 CD GLN B 8 1.271 -6.317 -17.117 1.00 0.00 C ATOM 1103 OE1 GLN B 8 1.091 -5.428 -17.954 1.00 0.00 O ATOM 1104 NE2 GLN B 8 0.599 -7.457 -17.153 1.00 0.00 N ATOM 0 H GLN B 8 3.373 -3.472 -14.733 1.00 0.00 H new ATOM 0 HA GLN B 8 1.969 -5.096 -12.658 1.00 0.00 H new ATOM 0 HB2 GLN B 8 0.964 -6.355 -14.249 1.00 0.00 H new ATOM 0 HB3 GLN B 8 0.908 -4.763 -14.979 1.00 0.00 H new ATOM 0 HG2 GLN B 8 3.046 -5.451 -16.266 1.00 0.00 H new ATOM 0 HG3 GLN B 8 2.717 -7.084 -15.721 1.00 0.00 H new ATOM 0 HE21 GLN B 8 0.770 -8.173 -16.447 1.00 0.00 H new ATOM 0 HE22 GLN B 8 -0.090 -7.620 -17.887 1.00 0.00 H new ATOM 1113 N ASP B 9 3.802 -6.837 -12.565 1.00 0.00 N ATOM 1114 CA ASP B 9 4.912 -7.761 -12.332 1.00 0.00 C ATOM 1115 C ASP B 9 4.919 -8.824 -13.440 1.00 0.00 C ATOM 1116 O ASP B 9 3.909 -8.975 -14.130 1.00 0.00 O ATOM 1117 CB ASP B 9 4.741 -8.392 -10.920 1.00 0.00 C ATOM 1118 CG ASP B 9 5.851 -9.384 -10.519 1.00 0.00 C ATOM 1119 OD1 ASP B 9 6.930 -8.932 -10.088 1.00 0.00 O ATOM 1120 OD2 ASP B 9 5.650 -10.614 -10.652 1.00 0.00 O ATOM 0 H ASP B 9 2.998 -7.014 -11.962 1.00 0.00 H new ATOM 0 HA ASP B 9 5.871 -7.244 -12.362 1.00 0.00 H new ATOM 0 HB2 ASP B 9 4.704 -7.591 -10.181 1.00 0.00 H new ATOM 0 HB3 ASP B 9 3.781 -8.907 -10.881 1.00 0.00 H new ATOM 1125 N LYS B 10 6.054 -9.552 -13.582 1.00 0.00 N ATOM 1126 CA LYS B 10 6.234 -10.677 -14.542 1.00 0.00 C ATOM 1127 C LYS B 10 5.069 -11.698 -14.482 1.00 0.00 C ATOM 1128 O LYS B 10 4.678 -12.276 -15.495 1.00 0.00 O ATOM 1129 CB LYS B 10 7.644 -11.340 -14.350 1.00 0.00 C ATOM 1130 CG LYS B 10 8.004 -11.860 -12.921 1.00 0.00 C ATOM 1131 CD LYS B 10 7.417 -13.256 -12.571 1.00 0.00 C ATOM 1132 CE LYS B 10 7.912 -14.384 -13.506 1.00 0.00 C ATOM 1133 NZ LYS B 10 7.287 -15.696 -13.181 1.00 0.00 N ATOM 0 H LYS B 10 6.888 -9.373 -13.023 1.00 0.00 H new ATOM 0 HA LYS B 10 6.202 -10.268 -15.552 1.00 0.00 H new ATOM 0 HB2 LYS B 10 7.719 -12.178 -15.043 1.00 0.00 H new ATOM 0 HB3 LYS B 10 8.401 -10.613 -14.645 1.00 0.00 H new ATOM 0 HG2 LYS B 10 9.089 -11.903 -12.828 1.00 0.00 H new ATOM 0 HG3 LYS B 10 7.650 -11.137 -12.186 1.00 0.00 H new ATOM 0 HD2 LYS B 10 7.680 -13.505 -11.543 1.00 0.00 H new ATOM 0 HD3 LYS B 10 6.329 -13.206 -12.618 1.00 0.00 H new ATOM 0 HE2 LYS B 10 7.687 -14.122 -14.540 1.00 0.00 H new ATOM 0 HE3 LYS B 10 8.996 -14.470 -13.427 1.00 0.00 H new ATOM 0 HZ1 LYS B 10 7.647 -16.423 -13.832 1.00 0.00 H new ATOM 0 HZ2 LYS B 10 7.522 -15.960 -12.203 1.00 0.00 H new ATOM 0 HZ3 LYS B 10 6.254 -15.623 -13.281 1.00 0.00 H new ATOM 1147 N ALA B 11 4.514 -11.871 -13.265 1.00 0.00 N ATOM 1148 CA ALA B 11 3.343 -12.734 -12.989 1.00 0.00 C ATOM 1149 C ALA B 11 2.007 -12.119 -13.509 1.00 0.00 C ATOM 1150 O ALA B 11 0.931 -12.675 -13.271 1.00 0.00 O ATOM 1151 CB ALA B 11 3.270 -13.007 -11.474 1.00 0.00 C ATOM 0 H ALA B 11 4.872 -11.407 -12.430 1.00 0.00 H new ATOM 0 HA ALA B 11 3.475 -13.670 -13.531 1.00 0.00 H new ATOM 0 HB1 ALA B 11 2.410 -13.642 -11.260 1.00 0.00 H new ATOM 0 HB2 ALA B 11 4.182 -13.509 -11.150 1.00 0.00 H new ATOM 0 HB3 ALA B 11 3.166 -12.063 -10.939 1.00 0.00 H new ATOM 1157 N GLY B 12 2.100 -11.005 -14.265 1.00 0.00 N ATOM 1158 CA GLY B 12 0.941 -10.230 -14.723 1.00 0.00 C ATOM 1159 C GLY B 12 0.239 -9.495 -13.595 1.00 0.00 C ATOM 1160 O GLY B 12 -0.937 -9.131 -13.722 1.00 0.00 O ATOM 0 H GLY B 12 2.992 -10.620 -14.574 1.00 0.00 H new ATOM 0 HA2 GLY B 12 1.266 -9.509 -15.473 1.00 0.00 H new ATOM 0 HA3 GLY B 12 0.232 -10.899 -15.210 1.00 0.00 H new ATOM 1164 N GLU B 13 0.984 -9.237 -12.503 1.00 0.00 N ATOM 1165 CA GLU B 13 0.406 -8.709 -11.249 1.00 0.00 C ATOM 1166 C GLU B 13 0.483 -7.185 -11.206 1.00 0.00 C ATOM 1167 O GLU B 13 1.523 -6.620 -10.851 1.00 0.00 O ATOM 1168 CB GLU B 13 1.114 -9.296 -10.007 1.00 0.00 C ATOM 1169 CG GLU B 13 0.824 -10.771 -9.704 1.00 0.00 C ATOM 1170 CD GLU B 13 1.388 -11.179 -8.340 1.00 0.00 C ATOM 1171 OE1 GLU B 13 0.832 -10.743 -7.307 1.00 0.00 O ATOM 1172 OE2 GLU B 13 2.414 -11.882 -8.281 1.00 0.00 O ATOM 0 H GLU B 13 1.992 -9.386 -12.463 1.00 0.00 H new ATOM 0 HA GLU B 13 -0.641 -9.013 -11.230 1.00 0.00 H new ATOM 0 HB2 GLU B 13 2.190 -9.177 -10.136 1.00 0.00 H new ATOM 0 HB3 GLU B 13 0.830 -8.704 -9.137 1.00 0.00 H new ATOM 0 HG2 GLU B 13 -0.252 -10.944 -9.722 1.00 0.00 H new ATOM 0 HG3 GLU B 13 1.260 -11.397 -10.482 1.00 0.00 H new ATOM 1179 N TYR B 14 -0.616 -6.527 -11.610 1.00 0.00 N ATOM 1180 CA TYR B 14 -0.779 -5.072 -11.469 1.00 0.00 C ATOM 1181 C TYR B 14 -0.587 -4.649 -10.007 1.00 0.00 C ATOM 1182 O TYR B 14 -1.152 -5.248 -9.092 1.00 0.00 O ATOM 1183 CB TYR B 14 -2.144 -4.605 -12.043 1.00 0.00 C ATOM 1184 CG TYR B 14 -2.152 -4.663 -13.575 1.00 0.00 C ATOM 1185 CD1 TYR B 14 -2.340 -5.869 -14.249 1.00 0.00 C ATOM 1186 CD2 TYR B 14 -1.887 -3.528 -14.342 1.00 0.00 C ATOM 1187 CE1 TYR B 14 -2.290 -5.933 -15.625 1.00 0.00 C ATOM 1188 CE2 TYR B 14 -1.827 -3.594 -15.719 1.00 0.00 C ATOM 1189 CZ TYR B 14 -2.025 -4.796 -16.353 1.00 0.00 C ATOM 1190 OH TYR B 14 -1.955 -4.866 -17.725 1.00 0.00 O ATOM 0 H TYR B 14 -1.416 -6.989 -12.043 1.00 0.00 H new ATOM 0 HA TYR B 14 -0.006 -4.576 -12.055 1.00 0.00 H new ATOM 0 HB2 TYR B 14 -2.942 -5.235 -11.649 1.00 0.00 H new ATOM 0 HB3 TYR B 14 -2.350 -3.586 -11.714 1.00 0.00 H new ATOM 0 HD1 TYR B 14 -2.528 -6.769 -13.683 1.00 0.00 H new ATOM 0 HD2 TYR B 14 -1.726 -2.581 -13.849 1.00 0.00 H new ATOM 0 HE1 TYR B 14 -2.458 -6.873 -16.130 1.00 0.00 H new ATOM 0 HE2 TYR B 14 -1.625 -2.704 -16.296 1.00 0.00 H new ATOM 0 HH TYR B 14 -1.037 -5.076 -17.995 1.00 0.00 H new ATOM 1200 N ARG B 15 0.280 -3.646 -9.846 1.00 0.00 N ATOM 1201 CA ARG B 15 0.788 -3.135 -8.569 1.00 0.00 C ATOM 1202 C ARG B 15 1.192 -1.663 -8.742 1.00 0.00 C ATOM 1203 O ARG B 15 1.259 -1.142 -9.859 1.00 0.00 O ATOM 1204 CB ARG B 15 2.028 -3.949 -8.091 1.00 0.00 C ATOM 1205 CG ARG B 15 1.845 -5.469 -7.863 1.00 0.00 C ATOM 1206 CD ARG B 15 3.202 -6.191 -7.821 1.00 0.00 C ATOM 1207 NE ARG B 15 3.104 -7.625 -7.466 1.00 0.00 N ATOM 1208 CZ ARG B 15 4.153 -8.445 -7.247 1.00 0.00 C ATOM 1209 NH1 ARG B 15 5.395 -7.983 -7.270 1.00 0.00 N ATOM 1210 NH2 ARG B 15 3.958 -9.729 -7.006 1.00 0.00 N ATOM 0 H ARG B 15 0.667 -3.142 -10.644 1.00 0.00 H new ATOM 0 HA ARG B 15 0.001 -3.232 -7.821 1.00 0.00 H new ATOM 0 HB2 ARG B 15 2.822 -3.813 -8.825 1.00 0.00 H new ATOM 0 HB3 ARG B 15 2.378 -3.509 -7.157 1.00 0.00 H new ATOM 0 HG2 ARG B 15 1.311 -5.638 -6.928 1.00 0.00 H new ATOM 0 HG3 ARG B 15 1.231 -5.888 -8.661 1.00 0.00 H new ATOM 0 HD2 ARG B 15 3.682 -6.099 -8.795 1.00 0.00 H new ATOM 0 HD3 ARG B 15 3.847 -5.691 -7.099 1.00 0.00 H new ATOM 0 HE ARG B 15 2.170 -8.025 -7.380 1.00 0.00 H new ATOM 0 HH11 ARG B 15 5.568 -6.995 -7.455 1.00 0.00 H new ATOM 0 HH12 ARG B 15 6.178 -8.615 -7.103 1.00 0.00 H new ATOM 0 HH21 ARG B 15 3.010 -10.106 -6.985 1.00 0.00 H new ATOM 0 HH22 ARG B 15 4.755 -10.344 -6.841 1.00 0.00 H new ATOM 1224 N PHE B 16 1.487 -1.009 -7.623 1.00 0.00 N ATOM 1225 CA PHE B 16 2.015 0.356 -7.607 1.00 0.00 C ATOM 1226 C PHE B 16 2.981 0.508 -6.436 1.00 0.00 C ATOM 1227 O PHE B 16 2.747 -0.036 -5.347 1.00 0.00 O ATOM 1228 CB PHE B 16 0.872 1.414 -7.552 1.00 0.00 C ATOM 1229 CG PHE B 16 -0.125 1.265 -6.394 1.00 0.00 C ATOM 1230 CD1 PHE B 16 -1.285 0.499 -6.542 1.00 0.00 C ATOM 1231 CD2 PHE B 16 0.077 1.917 -5.173 1.00 0.00 C ATOM 1232 CE1 PHE B 16 -2.189 0.370 -5.505 1.00 0.00 C ATOM 1233 CE2 PHE B 16 -0.828 1.787 -4.138 1.00 0.00 C ATOM 1234 CZ PHE B 16 -1.966 1.025 -4.306 1.00 0.00 C ATOM 0 H PHE B 16 1.366 -1.412 -6.694 1.00 0.00 H new ATOM 0 HA PHE B 16 2.556 0.537 -8.536 1.00 0.00 H new ATOM 0 HB2 PHE B 16 1.323 2.405 -7.492 1.00 0.00 H new ATOM 0 HB3 PHE B 16 0.319 1.372 -8.490 1.00 0.00 H new ATOM 0 HD1 PHE B 16 -1.477 0.001 -7.481 1.00 0.00 H new ATOM 0 HD2 PHE B 16 0.955 2.532 -5.038 1.00 0.00 H new ATOM 0 HE1 PHE B 16 -3.070 -0.242 -5.630 1.00 0.00 H new ATOM 0 HE2 PHE B 16 -0.645 2.282 -3.196 1.00 0.00 H new ATOM 0 HZ PHE B 16 -2.682 0.940 -3.502 1.00 0.00 H new ATOM 1244 N ARG B 17 4.085 1.210 -6.683 1.00 0.00 N ATOM 1245 CA ARG B 17 5.055 1.569 -5.647 1.00 0.00 C ATOM 1246 C ARG B 17 4.930 3.071 -5.362 1.00 0.00 C ATOM 1247 O ARG B 17 4.325 3.810 -6.148 1.00 0.00 O ATOM 1248 CB ARG B 17 6.498 1.226 -6.113 1.00 0.00 C ATOM 1249 CG ARG B 17 7.032 2.133 -7.240 1.00 0.00 C ATOM 1250 CD ARG B 17 8.483 1.831 -7.632 1.00 0.00 C ATOM 1251 NE ARG B 17 8.630 0.541 -8.337 1.00 0.00 N ATOM 1252 CZ ARG B 17 9.119 0.379 -9.577 1.00 0.00 C ATOM 1253 NH1 ARG B 17 9.425 1.428 -10.329 1.00 0.00 N ATOM 1254 NH2 ARG B 17 9.287 -0.841 -10.063 1.00 0.00 N ATOM 0 H ARG B 17 4.334 1.548 -7.612 1.00 0.00 H new ATOM 0 HA ARG B 17 4.852 1.002 -4.739 1.00 0.00 H new ATOM 0 HB2 ARG B 17 7.170 1.295 -5.257 1.00 0.00 H new ATOM 0 HB3 ARG B 17 6.521 0.191 -6.454 1.00 0.00 H new ATOM 0 HG2 ARG B 17 6.396 2.021 -8.118 1.00 0.00 H new ATOM 0 HG3 ARG B 17 6.958 3.174 -6.924 1.00 0.00 H new ATOM 0 HD2 ARG B 17 8.856 2.633 -8.269 1.00 0.00 H new ATOM 0 HD3 ARG B 17 9.102 1.822 -6.735 1.00 0.00 H new ATOM 0 HE ARG B 17 8.335 -0.299 -7.839 1.00 0.00 H new ATOM 0 HH11 ARG B 17 9.290 2.372 -9.967 1.00 0.00 H new ATOM 0 HH12 ARG B 17 9.796 1.291 -11.269 1.00 0.00 H new ATOM 0 HH21 ARG B 17 9.045 -1.654 -9.496 1.00 0.00 H new ATOM 0 HH22 ARG B 17 9.658 -0.968 -11.005 1.00 0.00 H new ATOM 1268 N PHE B 18 5.521 3.516 -4.255 1.00 0.00 N ATOM 1269 CA PHE B 18 5.622 4.949 -3.923 1.00 0.00 C ATOM 1270 C PHE B 18 7.083 5.272 -3.625 1.00 0.00 C ATOM 1271 O PHE B 18 7.811 4.451 -3.043 1.00 0.00 O ATOM 1272 CB PHE B 18 4.710 5.303 -2.727 1.00 0.00 C ATOM 1273 CG PHE B 18 4.640 6.770 -2.328 1.00 0.00 C ATOM 1274 CD1 PHE B 18 4.409 7.757 -3.278 1.00 0.00 C ATOM 1275 CD2 PHE B 18 4.764 7.151 -0.998 1.00 0.00 C ATOM 1276 CE1 PHE B 18 4.319 9.074 -2.909 1.00 0.00 C ATOM 1277 CE2 PHE B 18 4.668 8.466 -0.629 1.00 0.00 C ATOM 1278 CZ PHE B 18 4.448 9.427 -1.584 1.00 0.00 C ATOM 0 H PHE B 18 5.944 2.901 -3.560 1.00 0.00 H new ATOM 0 HA PHE B 18 5.283 5.551 -4.766 1.00 0.00 H new ATOM 0 HB2 PHE B 18 3.700 4.965 -2.959 1.00 0.00 H new ATOM 0 HB3 PHE B 18 5.047 4.731 -1.862 1.00 0.00 H new ATOM 0 HD1 PHE B 18 4.299 7.484 -4.317 1.00 0.00 H new ATOM 0 HD2 PHE B 18 4.939 6.398 -0.243 1.00 0.00 H new ATOM 0 HE1 PHE B 18 4.147 9.834 -3.657 1.00 0.00 H new ATOM 0 HE2 PHE B 18 4.765 8.746 0.410 1.00 0.00 H new ATOM 0 HZ PHE B 18 4.376 10.465 -1.295 1.00 0.00 H new ATOM 1288 N LYS B 19 7.506 6.456 -4.066 1.00 0.00 N ATOM 1289 CA LYS B 19 8.894 6.917 -3.953 1.00 0.00 C ATOM 1290 C LYS B 19 9.072 7.862 -2.748 1.00 0.00 C ATOM 1291 O LYS B 19 8.132 8.124 -1.984 1.00 0.00 O ATOM 1292 CB LYS B 19 9.298 7.609 -5.294 1.00 0.00 C ATOM 1293 CG LYS B 19 9.113 6.702 -6.540 1.00 0.00 C ATOM 1294 CD LYS B 19 10.007 5.436 -6.503 1.00 0.00 C ATOM 1295 CE LYS B 19 11.508 5.753 -6.627 1.00 0.00 C ATOM 1296 NZ LYS B 19 12.346 4.528 -6.715 1.00 0.00 N ATOM 0 H LYS B 19 6.889 7.132 -4.517 1.00 0.00 H new ATOM 0 HA LYS B 19 9.551 6.065 -3.776 1.00 0.00 H new ATOM 0 HB2 LYS B 19 8.702 8.513 -5.421 1.00 0.00 H new ATOM 0 HB3 LYS B 19 10.341 7.921 -5.233 1.00 0.00 H new ATOM 0 HG2 LYS B 19 8.068 6.401 -6.612 1.00 0.00 H new ATOM 0 HG3 LYS B 19 9.342 7.276 -7.438 1.00 0.00 H new ATOM 0 HD2 LYS B 19 9.831 4.901 -5.570 1.00 0.00 H new ATOM 0 HD3 LYS B 19 9.715 4.768 -7.313 1.00 0.00 H new ATOM 0 HE2 LYS B 19 11.674 6.367 -7.512 1.00 0.00 H new ATOM 0 HE3 LYS B 19 11.823 6.343 -5.767 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 13.220 4.665 -6.169 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 11.820 3.719 -6.328 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 12.585 4.342 -7.710 1.00 0.00 H new ATOM 1310 N ALA B 20 10.304 8.359 -2.606 1.00 0.00 N ATOM 1311 CA ALA B 20 10.693 9.349 -1.592 1.00 0.00 C ATOM 1312 C ALA B 20 11.533 10.432 -2.283 1.00 0.00 C ATOM 1313 O ALA B 20 12.018 10.211 -3.401 1.00 0.00 O ATOM 1314 CB ALA B 20 11.462 8.670 -0.443 1.00 0.00 C ATOM 0 H ALA B 20 11.079 8.079 -3.207 1.00 0.00 H new ATOM 0 HA ALA B 20 9.811 9.810 -1.147 1.00 0.00 H new ATOM 0 HB1 ALA B 20 11.742 9.418 0.299 1.00 0.00 H new ATOM 0 HB2 ALA B 20 10.828 7.916 0.023 1.00 0.00 H new ATOM 0 HB3 ALA B 20 12.361 8.195 -0.837 1.00 0.00 H new ATOM 1320 N SER B 21 11.661 11.607 -1.635 1.00 0.00 N ATOM 1321 CA SER B 21 12.397 12.784 -2.170 1.00 0.00 C ATOM 1322 C SER B 21 13.861 12.464 -2.568 1.00 0.00 C ATOM 1323 O SER B 21 14.410 13.081 -3.484 1.00 0.00 O ATOM 1324 CB SER B 21 12.349 13.933 -1.138 1.00 0.00 C ATOM 1325 OG SER B 21 12.978 13.574 0.082 1.00 0.00 O ATOM 0 H SER B 21 11.254 11.774 -0.715 1.00 0.00 H new ATOM 0 HA SER B 21 11.898 13.087 -3.090 1.00 0.00 H new ATOM 0 HB2 SER B 21 12.838 14.814 -1.553 1.00 0.00 H new ATOM 0 HB3 SER B 21 11.311 14.205 -0.945 1.00 0.00 H new ATOM 0 HG SER B 21 12.929 14.326 0.709 1.00 0.00 H new ATOM 1331 N ASN B 22 14.467 11.475 -1.895 1.00 0.00 N ATOM 1332 CA ASN B 22 15.847 11.014 -2.184 1.00 0.00 C ATOM 1333 C ASN B 22 15.866 9.938 -3.312 1.00 0.00 C ATOM 1334 O ASN B 22 16.864 9.228 -3.491 1.00 0.00 O ATOM 1335 CB ASN B 22 16.499 10.520 -0.862 1.00 0.00 C ATOM 1336 CG ASN B 22 15.767 9.347 -0.230 1.00 0.00 C ATOM 1337 OD1 ASN B 22 14.796 9.526 0.506 1.00 0.00 O ATOM 1338 ND2 ASN B 22 16.233 8.152 -0.501 1.00 0.00 N ATOM 0 H ASN B 22 14.019 10.967 -1.132 1.00 0.00 H new ATOM 0 HA ASN B 22 16.441 11.844 -2.567 1.00 0.00 H new ATOM 0 HB2 ASN B 22 17.531 10.231 -1.060 1.00 0.00 H new ATOM 0 HB3 ASN B 22 16.531 11.345 -0.150 1.00 0.00 H new ATOM 0 HD21 ASN B 22 15.789 7.328 -0.097 1.00 0.00 H new ATOM 0 HD22 ASN B 22 17.040 8.047 -1.116 1.00 0.00 H new ATOM 1345 N GLY B 23 14.758 9.862 -4.083 1.00 0.00 N ATOM 1346 CA GLY B 23 14.634 8.981 -5.250 1.00 0.00 C ATOM 1347 C GLY B 23 14.733 7.506 -4.915 1.00 0.00 C ATOM 1348 O GLY B 23 15.465 6.769 -5.574 1.00 0.00 O ATOM 0 H GLY B 23 13.922 10.418 -3.905 1.00 0.00 H new ATOM 0 HA2 GLY B 23 13.677 9.170 -5.737 1.00 0.00 H new ATOM 0 HA3 GLY B 23 15.413 9.234 -5.969 1.00 0.00 H new ATOM 1352 N GLU B 24 13.979 7.074 -3.896 1.00 0.00 N ATOM 1353 CA GLU B 24 14.014 5.688 -3.395 1.00 0.00 C ATOM 1354 C GLU B 24 12.596 5.209 -3.072 1.00 0.00 C ATOM 1355 O GLU B 24 11.786 5.972 -2.549 1.00 0.00 O ATOM 1356 CB GLU B 24 14.934 5.582 -2.145 1.00 0.00 C ATOM 1357 CG GLU B 24 16.452 5.663 -2.452 1.00 0.00 C ATOM 1358 CD GLU B 24 16.973 4.490 -3.304 1.00 0.00 C ATOM 1359 OE1 GLU B 24 17.210 3.405 -2.738 1.00 0.00 O ATOM 1360 OE2 GLU B 24 17.131 4.633 -4.540 1.00 0.00 O ATOM 0 H GLU B 24 13.326 7.674 -3.393 1.00 0.00 H new ATOM 0 HA GLU B 24 14.427 5.044 -4.172 1.00 0.00 H new ATOM 0 HB2 GLU B 24 14.674 6.381 -1.450 1.00 0.00 H new ATOM 0 HB3 GLU B 24 14.729 4.639 -1.638 1.00 0.00 H new ATOM 0 HG2 GLU B 24 16.660 6.599 -2.971 1.00 0.00 H new ATOM 0 HG3 GLU B 24 17.003 5.691 -1.512 1.00 0.00 H new ATOM 1367 N THR B 25 12.309 3.945 -3.412 1.00 0.00 N ATOM 1368 CA THR B 25 11.020 3.307 -3.134 1.00 0.00 C ATOM 1369 C THR B 25 10.959 2.867 -1.659 1.00 0.00 C ATOM 1370 O THR B 25 11.956 2.409 -1.085 1.00 0.00 O ATOM 1371 CB THR B 25 10.801 2.092 -4.088 1.00 0.00 C ATOM 1372 OG1 THR B 25 10.833 2.542 -5.442 1.00 0.00 O ATOM 1373 CG2 THR B 25 9.478 1.350 -3.839 1.00 0.00 C ATOM 0 H THR B 25 12.971 3.334 -3.891 1.00 0.00 H new ATOM 0 HA THR B 25 10.220 4.026 -3.313 1.00 0.00 H new ATOM 0 HB THR B 25 11.607 1.386 -3.886 1.00 0.00 H new ATOM 0 HG1 THR B 25 11.173 1.825 -6.017 1.00 0.00 H new ATOM 0 HG21 THR B 25 9.391 0.517 -4.537 1.00 0.00 H new ATOM 0 HG22 THR B 25 9.460 0.971 -2.817 1.00 0.00 H new ATOM 0 HG23 THR B 25 8.643 2.035 -3.986 1.00 0.00 H new ATOM 1381 N MET B 26 9.772 3.022 -1.069 1.00 0.00 N ATOM 1382 CA MET B 26 9.515 2.733 0.353 1.00 0.00 C ATOM 1383 C MET B 26 8.430 1.649 0.524 1.00 0.00 C ATOM 1384 O MET B 26 8.376 1.006 1.574 1.00 0.00 O ATOM 1385 CB MET B 26 9.184 4.051 1.109 1.00 0.00 C ATOM 1386 CG MET B 26 8.350 5.062 0.310 1.00 0.00 C ATOM 1387 SD MET B 26 6.760 4.416 -0.207 1.00 0.00 S ATOM 1388 CE MET B 26 5.978 4.252 1.374 1.00 0.00 C ATOM 0 H MET B 26 8.948 3.356 -1.568 1.00 0.00 H new ATOM 0 HA MET B 26 10.418 2.318 0.801 1.00 0.00 H new ATOM 0 HB2 MET B 26 8.648 3.803 2.025 1.00 0.00 H new ATOM 0 HB3 MET B 26 10.119 4.527 1.406 1.00 0.00 H new ATOM 0 HG2 MET B 26 8.192 5.953 0.917 1.00 0.00 H new ATOM 0 HG3 MET B 26 8.913 5.372 -0.571 1.00 0.00 H new ATOM 0 HE1 MET B 26 5.291 3.406 1.354 1.00 0.00 H new ATOM 0 HE2 MET B 26 6.736 4.086 2.139 1.00 0.00 H new ATOM 0 HE3 MET B 26 5.425 5.163 1.603 1.00 0.00 H new ATOM 1398 N PHE B 27 7.569 1.434 -0.500 1.00 0.00 N ATOM 1399 CA PHE B 27 6.671 0.255 -0.534 1.00 0.00 C ATOM 1400 C PHE B 27 6.336 -0.142 -1.973 1.00 0.00 C ATOM 1401 O PHE B 27 6.450 0.654 -2.905 1.00 0.00 O ATOM 1402 CB PHE B 27 5.346 0.460 0.297 1.00 0.00 C ATOM 1403 CG PHE B 27 4.127 1.056 -0.451 1.00 0.00 C ATOM 1404 CD1 PHE B 27 3.986 2.413 -0.608 1.00 0.00 C ATOM 1405 CD2 PHE B 27 3.129 0.245 -0.985 1.00 0.00 C ATOM 1406 CE1 PHE B 27 2.914 2.964 -1.256 1.00 0.00 C ATOM 1407 CE2 PHE B 27 2.049 0.797 -1.650 1.00 0.00 C ATOM 1408 CZ PHE B 27 1.939 2.162 -1.782 1.00 0.00 C ATOM 0 H PHE B 27 7.478 2.054 -1.305 1.00 0.00 H new ATOM 0 HA PHE B 27 7.223 -0.556 -0.058 1.00 0.00 H new ATOM 0 HB2 PHE B 27 5.052 -0.506 0.707 1.00 0.00 H new ATOM 0 HB3 PHE B 27 5.574 1.109 1.142 1.00 0.00 H new ATOM 0 HD1 PHE B 27 4.746 3.067 -0.207 1.00 0.00 H new ATOM 0 HD2 PHE B 27 3.199 -0.827 -0.879 1.00 0.00 H new ATOM 0 HE1 PHE B 27 2.838 4.037 -1.352 1.00 0.00 H new ATOM 0 HE2 PHE B 27 1.289 0.154 -2.067 1.00 0.00 H new ATOM 0 HZ PHE B 27 1.093 2.595 -2.295 1.00 0.00 H new ATOM 1418 N SER B 28 5.879 -1.388 -2.085 1.00 0.00 N ATOM 1419 CA SER B 28 5.223 -1.942 -3.272 1.00 0.00 C ATOM 1420 C SER B 28 3.938 -2.616 -2.796 1.00 0.00 C ATOM 1421 O SER B 28 3.919 -3.226 -1.715 1.00 0.00 O ATOM 1422 CB SER B 28 6.121 -2.946 -4.016 1.00 0.00 C ATOM 1423 OG SER B 28 5.453 -3.480 -5.148 1.00 0.00 O ATOM 0 H SER B 28 5.957 -2.065 -1.326 1.00 0.00 H new ATOM 0 HA SER B 28 5.011 -1.144 -3.984 1.00 0.00 H new ATOM 0 HB2 SER B 28 7.041 -2.454 -4.330 1.00 0.00 H new ATOM 0 HB3 SER B 28 6.406 -3.754 -3.342 1.00 0.00 H new ATOM 0 HG SER B 28 5.988 -3.314 -5.952 1.00 0.00 H new ATOM 1429 N SER B 29 2.864 -2.490 -3.578 1.00 0.00 N ATOM 1430 CA SER B 29 1.538 -2.974 -3.188 1.00 0.00 C ATOM 1431 C SER B 29 1.222 -4.288 -3.904 1.00 0.00 C ATOM 1432 O SER B 29 2.011 -4.778 -4.723 1.00 0.00 O ATOM 1433 CB SER B 29 0.472 -1.914 -3.533 1.00 0.00 C ATOM 1434 OG SER B 29 0.435 -1.657 -4.921 1.00 0.00 O ATOM 0 H SER B 29 2.889 -2.050 -4.498 1.00 0.00 H new ATOM 0 HA SER B 29 1.529 -3.152 -2.113 1.00 0.00 H new ATOM 0 HB2 SER B 29 -0.507 -2.257 -3.198 1.00 0.00 H new ATOM 0 HB3 SER B 29 0.687 -0.990 -2.995 1.00 0.00 H new ATOM 0 HG SER B 29 -0.206 -0.939 -5.104 1.00 0.00 H new ATOM 1440 N GLU B 30 0.059 -4.850 -3.569 1.00 0.00 N ATOM 1441 CA GLU B 30 -0.529 -5.986 -4.284 1.00 0.00 C ATOM 1442 C GLU B 30 -1.285 -5.504 -5.539 1.00 0.00 C ATOM 1443 O GLU B 30 -1.637 -6.312 -6.396 1.00 0.00 O ATOM 1444 CB GLU B 30 -1.476 -6.741 -3.331 1.00 0.00 C ATOM 1445 CG GLU B 30 -0.800 -7.214 -2.023 1.00 0.00 C ATOM 1446 CD GLU B 30 -1.696 -8.090 -1.134 1.00 0.00 C ATOM 1447 OE1 GLU B 30 -2.921 -7.832 -1.071 1.00 0.00 O ATOM 1448 OE2 GLU B 30 -1.176 -9.010 -0.455 1.00 0.00 O ATOM 0 H GLU B 30 -0.508 -4.526 -2.785 1.00 0.00 H new ATOM 0 HA GLU B 30 0.263 -6.659 -4.613 1.00 0.00 H new ATOM 0 HB2 GLU B 30 -2.316 -6.093 -3.081 1.00 0.00 H new ATOM 0 HB3 GLU B 30 -1.885 -7.607 -3.851 1.00 0.00 H new ATOM 0 HG2 GLU B 30 0.101 -7.773 -2.274 1.00 0.00 H new ATOM 0 HG3 GLU B 30 -0.485 -6.340 -1.453 1.00 0.00 H new ATOM 1455 N GLY B 31 -1.534 -4.173 -5.618 1.00 0.00 N ATOM 1456 CA GLY B 31 -2.279 -3.542 -6.729 1.00 0.00 C ATOM 1457 C GLY B 31 -3.783 -3.775 -6.725 1.00 0.00 C ATOM 1458 O GLY B 31 -4.475 -3.313 -7.650 1.00 0.00 O ATOM 0 H GLY B 31 -1.222 -3.508 -4.910 1.00 0.00 H new ATOM 0 HA2 GLY B 31 -2.095 -2.468 -6.703 1.00 0.00 H new ATOM 0 HA3 GLY B 31 -1.874 -3.912 -7.671 1.00 0.00 H new ATOM 1462 N TYR B 32 -4.254 -4.552 -5.724 1.00 0.00 N ATOM 1463 CA TYR B 32 -5.676 -4.751 -5.386 1.00 0.00 C ATOM 1464 C TYR B 32 -6.333 -5.831 -6.285 1.00 0.00 C ATOM 1465 O TYR B 32 -6.914 -6.795 -5.766 1.00 0.00 O ATOM 1466 CB TYR B 32 -6.461 -3.399 -5.402 1.00 0.00 C ATOM 1467 CG TYR B 32 -7.777 -3.387 -4.620 1.00 0.00 C ATOM 1468 CD1 TYR B 32 -7.847 -3.951 -3.346 1.00 0.00 C ATOM 1469 CD2 TYR B 32 -8.929 -2.784 -5.131 1.00 0.00 C ATOM 1470 CE1 TYR B 32 -9.009 -3.921 -2.618 1.00 0.00 C ATOM 1471 CE2 TYR B 32 -10.097 -2.749 -4.397 1.00 0.00 C ATOM 1472 CZ TYR B 32 -10.130 -3.317 -3.141 1.00 0.00 C ATOM 1473 OH TYR B 32 -11.289 -3.280 -2.397 1.00 0.00 O ATOM 0 H TYR B 32 -3.630 -5.075 -5.109 1.00 0.00 H new ATOM 0 HA TYR B 32 -5.724 -5.129 -4.365 1.00 0.00 H new ATOM 0 HB2 TYR B 32 -5.814 -2.619 -5.000 1.00 0.00 H new ATOM 0 HB3 TYR B 32 -6.673 -3.135 -6.438 1.00 0.00 H new ATOM 0 HD1 TYR B 32 -6.970 -4.420 -2.925 1.00 0.00 H new ATOM 0 HD2 TYR B 32 -8.905 -2.339 -6.115 1.00 0.00 H new ATOM 0 HE1 TYR B 32 -9.044 -4.370 -1.637 1.00 0.00 H new ATOM 0 HE2 TYR B 32 -10.980 -2.279 -4.804 1.00 0.00 H new ATOM 0 HH TYR B 32 -11.083 -2.987 -1.485 1.00 0.00 H new ATOM 1483 N LYS B 33 -6.225 -5.672 -7.622 1.00 0.00 N ATOM 1484 CA LYS B 33 -6.810 -6.615 -8.608 1.00 0.00 C ATOM 1485 C LYS B 33 -6.244 -6.360 -10.016 1.00 0.00 C ATOM 1486 O LYS B 33 -5.659 -7.253 -10.625 1.00 0.00 O ATOM 1487 CB LYS B 33 -8.370 -6.490 -8.609 1.00 0.00 C ATOM 1488 CG LYS B 33 -9.122 -7.289 -9.704 1.00 0.00 C ATOM 1489 CD LYS B 33 -8.851 -8.809 -9.644 1.00 0.00 C ATOM 1490 CE LYS B 33 -9.600 -9.582 -10.746 1.00 0.00 C ATOM 1491 NZ LYS B 33 -9.238 -11.019 -10.758 1.00 0.00 N ATOM 0 H LYS B 33 -5.731 -4.889 -8.050 1.00 0.00 H new ATOM 0 HA LYS B 33 -6.539 -7.630 -8.318 1.00 0.00 H new ATOM 0 HB2 LYS B 33 -8.740 -6.812 -7.636 1.00 0.00 H new ATOM 0 HB3 LYS B 33 -8.629 -5.437 -8.716 1.00 0.00 H new ATOM 0 HG2 LYS B 33 -10.193 -7.113 -9.602 1.00 0.00 H new ATOM 0 HG3 LYS B 33 -8.829 -6.913 -10.684 1.00 0.00 H new ATOM 0 HD2 LYS B 33 -7.780 -8.989 -9.741 1.00 0.00 H new ATOM 0 HD3 LYS B 33 -9.151 -9.191 -8.668 1.00 0.00 H new ATOM 0 HE2 LYS B 33 -10.675 -9.480 -10.594 1.00 0.00 H new ATOM 0 HE3 LYS B 33 -9.372 -9.142 -11.717 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 -9.764 -11.503 -11.514 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 -8.217 -11.118 -10.928 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 -9.479 -11.445 -9.841 1.00 0.00 H new ATOM 1505 N ALA B 34 -6.416 -5.135 -10.512 1.00 0.00 N ATOM 1506 CA ALA B 34 -6.147 -4.774 -11.922 1.00 0.00 C ATOM 1507 C ALA B 34 -5.637 -3.332 -11.978 1.00 0.00 C ATOM 1508 O ALA B 34 -5.366 -2.748 -10.929 1.00 0.00 O ATOM 1509 CB ALA B 34 -7.432 -4.947 -12.745 1.00 0.00 C ATOM 0 H ALA B 34 -6.748 -4.352 -9.950 1.00 0.00 H new ATOM 0 HA ALA B 34 -5.383 -5.426 -12.346 1.00 0.00 H new ATOM 0 HB1 ALA B 34 -7.237 -4.682 -13.784 1.00 0.00 H new ATOM 0 HB2 ALA B 34 -7.762 -5.985 -12.691 1.00 0.00 H new ATOM 0 HB3 ALA B 34 -8.211 -4.298 -12.345 1.00 0.00 H new ATOM 1515 N LYS B 35 -5.507 -2.753 -13.189 1.00 0.00 N ATOM 1516 CA LYS B 35 -5.067 -1.360 -13.375 1.00 0.00 C ATOM 1517 C LYS B 35 -6.111 -0.383 -12.808 1.00 0.00 C ATOM 1518 O LYS B 35 -5.778 0.511 -12.044 1.00 0.00 O ATOM 1519 CB LYS B 35 -4.879 -1.104 -14.887 1.00 0.00 C ATOM 1520 CG LYS B 35 -4.282 0.265 -15.286 1.00 0.00 C ATOM 1521 CD LYS B 35 -4.608 0.632 -16.753 1.00 0.00 C ATOM 1522 CE LYS B 35 -3.668 1.690 -17.329 1.00 0.00 C ATOM 1523 NZ LYS B 35 -2.285 1.186 -17.379 1.00 0.00 N ATOM 0 H LYS B 35 -5.705 -3.240 -14.063 1.00 0.00 H new ATOM 0 HA LYS B 35 -4.128 -1.201 -12.844 1.00 0.00 H new ATOM 0 HB2 LYS B 35 -4.235 -1.887 -15.288 1.00 0.00 H new ATOM 0 HB3 LYS B 35 -5.849 -1.208 -15.374 1.00 0.00 H new ATOM 0 HG2 LYS B 35 -4.672 1.038 -14.623 1.00 0.00 H new ATOM 0 HG3 LYS B 35 -3.201 0.243 -15.149 1.00 0.00 H new ATOM 0 HD2 LYS B 35 -4.553 -0.267 -17.367 1.00 0.00 H new ATOM 0 HD3 LYS B 35 -5.634 0.996 -16.811 1.00 0.00 H new ATOM 0 HE2 LYS B 35 -3.995 1.968 -18.331 1.00 0.00 H new ATOM 0 HE3 LYS B 35 -3.710 2.592 -16.718 1.00 0.00 H new ATOM 0 HZ1 LYS B 35 -1.672 1.796 -16.801 1.00 0.00 H new ATOM 0 HZ2 LYS B 35 -2.256 0.215 -17.008 1.00 0.00 H new ATOM 0 HZ3 LYS B 35 -1.949 1.191 -18.363 1.00 0.00 H new ATOM 1537 N ALA B 36 -7.385 -0.588 -13.189 1.00 0.00 N ATOM 1538 CA ALA B 36 -8.525 0.232 -12.717 1.00 0.00 C ATOM 1539 C ALA B 36 -8.612 0.222 -11.178 1.00 0.00 C ATOM 1540 O ALA B 36 -8.850 1.256 -10.550 1.00 0.00 O ATOM 1541 CB ALA B 36 -9.830 -0.278 -13.346 1.00 0.00 C ATOM 0 H ALA B 36 -7.658 -1.329 -13.835 1.00 0.00 H new ATOM 0 HA ALA B 36 -8.367 1.264 -13.030 1.00 0.00 H new ATOM 0 HB1 ALA B 36 -10.665 0.329 -12.995 1.00 0.00 H new ATOM 0 HB2 ALA B 36 -9.762 -0.209 -14.432 1.00 0.00 H new ATOM 0 HB3 ALA B 36 -9.991 -1.317 -13.058 1.00 0.00 H new ATOM 1547 N SER B 37 -8.344 -0.958 -10.593 1.00 0.00 N ATOM 1548 CA SER B 37 -8.324 -1.165 -9.137 1.00 0.00 C ATOM 1549 C SER B 37 -7.075 -0.520 -8.504 1.00 0.00 C ATOM 1550 O SER B 37 -7.117 -0.090 -7.351 1.00 0.00 O ATOM 1551 CB SER B 37 -8.329 -2.672 -8.837 1.00 0.00 C ATOM 1552 OG SER B 37 -9.323 -3.339 -9.594 1.00 0.00 O ATOM 0 H SER B 37 -8.133 -1.803 -11.124 1.00 0.00 H new ATOM 0 HA SER B 37 -9.209 -0.695 -8.708 1.00 0.00 H new ATOM 0 HB2 SER B 37 -7.350 -3.094 -9.064 1.00 0.00 H new ATOM 0 HB3 SER B 37 -8.507 -2.834 -7.774 1.00 0.00 H new ATOM 0 HG SER B 37 -10.041 -3.640 -8.998 1.00 0.00 H new ATOM 1558 N ALA B 38 -5.977 -0.475 -9.285 1.00 0.00 N ATOM 1559 CA ALA B 38 -4.696 0.119 -8.865 1.00 0.00 C ATOM 1560 C ALA B 38 -4.840 1.641 -8.687 1.00 0.00 C ATOM 1561 O ALA B 38 -4.514 2.163 -7.621 1.00 0.00 O ATOM 1562 CB ALA B 38 -3.578 -0.211 -9.877 1.00 0.00 C ATOM 0 H ALA B 38 -5.956 -0.853 -10.232 1.00 0.00 H new ATOM 0 HA ALA B 38 -4.418 -0.314 -7.904 1.00 0.00 H new ATOM 0 HB1 ALA B 38 -2.642 0.239 -9.545 1.00 0.00 H new ATOM 0 HB2 ALA B 38 -3.457 -1.292 -9.946 1.00 0.00 H new ATOM 0 HB3 ALA B 38 -3.844 0.187 -10.856 1.00 0.00 H new ATOM 1568 N ILE B 39 -5.325 2.344 -9.743 1.00 0.00 N ATOM 1569 CA ILE B 39 -5.610 3.794 -9.688 1.00 0.00 C ATOM 1570 C ILE B 39 -6.624 4.115 -8.569 1.00 0.00 C ATOM 1571 O ILE B 39 -6.384 5.026 -7.785 1.00 0.00 O ATOM 1572 CB ILE B 39 -6.123 4.377 -11.083 1.00 0.00 C ATOM 1573 CG1 ILE B 39 -4.968 4.476 -12.144 1.00 0.00 C ATOM 1574 CG2 ILE B 39 -6.788 5.775 -10.923 1.00 0.00 C ATOM 1575 CD1 ILE B 39 -4.430 3.169 -12.686 1.00 0.00 C ATOM 0 H ILE B 39 -5.527 1.921 -10.649 1.00 0.00 H new ATOM 0 HA ILE B 39 -4.663 4.285 -9.464 1.00 0.00 H new ATOM 0 HB ILE B 39 -6.870 3.669 -11.441 1.00 0.00 H new ATOM 0 HG12 ILE B 39 -5.327 5.071 -12.984 1.00 0.00 H new ATOM 0 HG13 ILE B 39 -4.140 5.025 -11.696 1.00 0.00 H new ATOM 0 HG21 ILE B 39 -7.122 6.133 -11.897 1.00 0.00 H new ATOM 0 HG22 ILE B 39 -7.644 5.696 -10.253 1.00 0.00 H new ATOM 0 HG23 ILE B 39 -6.065 6.477 -10.507 1.00 0.00 H new ATOM 0 HD11 ILE B 39 -3.639 3.373 -13.408 1.00 0.00 H new ATOM 0 HD12 ILE B 39 -4.029 2.573 -11.866 1.00 0.00 H new ATOM 0 HD13 ILE B 39 -5.234 2.619 -13.175 1.00 0.00 H new ATOM 1587 N HIS B 40 -7.739 3.344 -8.501 1.00 0.00 N ATOM 1588 CA HIS B 40 -8.803 3.522 -7.464 1.00 0.00 C ATOM 1589 C HIS B 40 -8.232 3.424 -6.037 1.00 0.00 C ATOM 1590 O HIS B 40 -8.636 4.183 -5.126 1.00 0.00 O ATOM 1591 CB HIS B 40 -9.968 2.503 -7.658 1.00 0.00 C ATOM 1592 CG HIS B 40 -11.083 2.997 -8.544 1.00 0.00 C ATOM 1593 ND1 HIS B 40 -12.368 3.200 -8.085 1.00 0.00 N ATOM 1594 CD2 HIS B 40 -11.104 3.326 -9.852 1.00 0.00 C ATOM 1595 CE1 HIS B 40 -13.124 3.623 -9.071 1.00 0.00 C ATOM 1596 NE2 HIS B 40 -12.387 3.713 -10.158 1.00 0.00 N ATOM 0 H HIS B 40 -7.931 2.585 -9.155 1.00 0.00 H new ATOM 0 HA HIS B 40 -9.206 4.526 -7.595 1.00 0.00 H new ATOM 0 HB2 HIS B 40 -9.564 1.583 -8.081 1.00 0.00 H new ATOM 0 HB3 HIS B 40 -10.381 2.250 -6.681 1.00 0.00 H new ATOM 0 HD2 HIS B 40 -10.267 3.292 -10.533 1.00 0.00 H new ATOM 0 HE1 HIS B 40 -14.176 3.858 -9.002 1.00 0.00 H new ATOM 0 HE2 HIS B 40 -12.714 4.019 -11.075 1.00 0.00 H new ATOM 1605 N ALA B 41 -7.285 2.490 -5.852 1.00 0.00 N ATOM 1606 CA ALA B 41 -6.552 2.347 -4.602 1.00 0.00 C ATOM 1607 C ALA B 41 -5.766 3.636 -4.324 1.00 0.00 C ATOM 1608 O ALA B 41 -5.961 4.279 -3.295 1.00 0.00 O ATOM 1609 CB ALA B 41 -5.631 1.112 -4.660 1.00 0.00 C ATOM 0 H ALA B 41 -7.013 1.818 -6.569 1.00 0.00 H new ATOM 0 HA ALA B 41 -7.249 2.190 -3.779 1.00 0.00 H new ATOM 0 HB1 ALA B 41 -5.089 1.018 -3.719 1.00 0.00 H new ATOM 0 HB2 ALA B 41 -6.232 0.217 -4.824 1.00 0.00 H new ATOM 0 HB3 ALA B 41 -4.920 1.227 -5.478 1.00 0.00 H new ATOM 1615 N ILE B 42 -4.958 4.064 -5.297 1.00 0.00 N ATOM 1616 CA ILE B 42 -4.162 5.297 -5.190 1.00 0.00 C ATOM 1617 C ILE B 42 -5.063 6.529 -4.938 1.00 0.00 C ATOM 1618 O ILE B 42 -4.647 7.472 -4.268 1.00 0.00 O ATOM 1619 CB ILE B 42 -3.284 5.506 -6.464 1.00 0.00 C ATOM 1620 CG1 ILE B 42 -2.347 4.281 -6.665 1.00 0.00 C ATOM 1621 CG2 ILE B 42 -2.469 6.819 -6.388 1.00 0.00 C ATOM 1622 CD1 ILE B 42 -1.674 4.230 -8.009 1.00 0.00 C ATOM 0 H ILE B 42 -4.835 3.570 -6.181 1.00 0.00 H new ATOM 0 HA ILE B 42 -3.499 5.188 -4.332 1.00 0.00 H new ATOM 0 HB ILE B 42 -3.947 5.591 -7.325 1.00 0.00 H new ATOM 0 HG12 ILE B 42 -1.582 4.293 -5.889 1.00 0.00 H new ATOM 0 HG13 ILE B 42 -2.927 3.368 -6.527 1.00 0.00 H new ATOM 0 HG21 ILE B 42 -1.871 6.929 -7.293 1.00 0.00 H new ATOM 0 HG22 ILE B 42 -3.150 7.665 -6.298 1.00 0.00 H new ATOM 0 HG23 ILE B 42 -1.811 6.789 -5.519 1.00 0.00 H new ATOM 0 HD11 ILE B 42 -1.040 3.345 -8.065 1.00 0.00 H new ATOM 0 HD12 ILE B 42 -2.430 4.185 -8.793 1.00 0.00 H new ATOM 0 HD13 ILE B 42 -1.064 5.123 -8.145 1.00 0.00 H new ATOM 1634 N GLU B 43 -6.323 6.469 -5.416 1.00 0.00 N ATOM 1635 CA GLU B 43 -7.298 7.558 -5.237 1.00 0.00 C ATOM 1636 C GLU B 43 -7.579 7.768 -3.749 1.00 0.00 C ATOM 1637 O GLU B 43 -7.672 8.911 -3.306 1.00 0.00 O ATOM 1638 CB GLU B 43 -8.615 7.300 -6.013 1.00 0.00 C ATOM 1639 CG GLU B 43 -8.481 7.398 -7.544 1.00 0.00 C ATOM 1640 CD GLU B 43 -9.789 7.131 -8.305 1.00 0.00 C ATOM 1641 OE1 GLU B 43 -10.792 7.830 -8.035 1.00 0.00 O ATOM 1642 OE2 GLU B 43 -9.826 6.244 -9.187 1.00 0.00 O ATOM 0 H GLU B 43 -6.689 5.669 -5.933 1.00 0.00 H new ATOM 0 HA GLU B 43 -6.860 8.466 -5.652 1.00 0.00 H new ATOM 0 HB2 GLU B 43 -8.986 6.308 -5.756 1.00 0.00 H new ATOM 0 HB3 GLU B 43 -9.365 8.017 -5.680 1.00 0.00 H new ATOM 0 HG2 GLU B 43 -8.118 8.393 -7.804 1.00 0.00 H new ATOM 0 HG3 GLU B 43 -7.726 6.686 -7.879 1.00 0.00 H new ATOM 1649 N SER B 44 -7.666 6.656 -2.982 1.00 0.00 N ATOM 1650 CA SER B 44 -7.771 6.708 -1.502 1.00 0.00 C ATOM 1651 C SER B 44 -6.630 7.516 -0.870 1.00 0.00 C ATOM 1652 O SER B 44 -6.850 8.251 0.110 1.00 0.00 O ATOM 1653 CB SER B 44 -7.769 5.290 -0.892 1.00 0.00 C ATOM 1654 OG SER B 44 -9.044 4.674 -1.008 1.00 0.00 O ATOM 0 H SER B 44 -7.666 5.710 -3.363 1.00 0.00 H new ATOM 0 HA SER B 44 -8.717 7.203 -1.282 1.00 0.00 H new ATOM 0 HB2 SER B 44 -7.020 4.677 -1.394 1.00 0.00 H new ATOM 0 HB3 SER B 44 -7.484 5.345 0.159 1.00 0.00 H new ATOM 0 HG SER B 44 -9.385 4.458 -0.115 1.00 0.00 H new ATOM 1660 N ILE B 45 -5.416 7.363 -1.434 1.00 0.00 N ATOM 1661 CA ILE B 45 -4.225 7.997 -0.878 1.00 0.00 C ATOM 1662 C ILE B 45 -4.328 9.519 -1.077 1.00 0.00 C ATOM 1663 O ILE B 45 -4.006 10.308 -0.179 1.00 0.00 O ATOM 1664 CB ILE B 45 -2.860 7.464 -1.494 1.00 0.00 C ATOM 1665 CG1 ILE B 45 -2.909 5.947 -1.881 1.00 0.00 C ATOM 1666 CG2 ILE B 45 -1.742 7.680 -0.473 1.00 0.00 C ATOM 1667 CD1 ILE B 45 -3.006 4.979 -0.723 1.00 0.00 C ATOM 0 H ILE B 45 -5.244 6.806 -2.271 1.00 0.00 H new ATOM 0 HA ILE B 45 -4.196 7.738 0.180 1.00 0.00 H new ATOM 0 HB ILE B 45 -2.679 8.023 -2.412 1.00 0.00 H new ATOM 0 HG12 ILE B 45 -3.763 5.786 -2.538 1.00 0.00 H new ATOM 0 HG13 ILE B 45 -2.015 5.708 -2.457 1.00 0.00 H new ATOM 0 HG21 ILE B 45 -0.799 7.318 -0.884 1.00 0.00 H new ATOM 0 HG22 ILE B 45 -1.655 8.743 -0.248 1.00 0.00 H new ATOM 0 HG23 ILE B 45 -1.973 7.133 0.441 1.00 0.00 H new ATOM 0 HD11 ILE B 45 -3.033 3.958 -1.104 1.00 0.00 H new ATOM 0 HD12 ILE B 45 -2.139 5.101 -0.073 1.00 0.00 H new ATOM 0 HD13 ILE B 45 -3.915 5.179 -0.156 1.00 0.00 H new ATOM 1679 N LYS B 46 -4.825 9.908 -2.268 1.00 0.00 N ATOM 1680 CA LYS B 46 -4.937 11.320 -2.695 1.00 0.00 C ATOM 1681 C LYS B 46 -5.882 12.149 -1.816 1.00 0.00 C ATOM 1682 O LYS B 46 -5.795 13.383 -1.784 1.00 0.00 O ATOM 1683 CB LYS B 46 -5.406 11.428 -4.187 1.00 0.00 C ATOM 1684 CG LYS B 46 -4.778 10.433 -5.201 1.00 0.00 C ATOM 1685 CD LYS B 46 -3.264 10.182 -5.007 1.00 0.00 C ATOM 1686 CE LYS B 46 -2.422 11.444 -5.063 1.00 0.00 C ATOM 1687 NZ LYS B 46 -2.534 12.117 -6.373 1.00 0.00 N ATOM 0 H LYS B 46 -5.163 9.247 -2.967 1.00 0.00 H new ATOM 0 HA LYS B 46 -3.934 11.732 -2.587 1.00 0.00 H new ATOM 0 HB2 LYS B 46 -6.488 11.298 -4.212 1.00 0.00 H new ATOM 0 HB3 LYS B 46 -5.199 12.440 -4.534 1.00 0.00 H new ATOM 0 HG2 LYS B 46 -5.303 9.480 -5.127 1.00 0.00 H new ATOM 0 HG3 LYS B 46 -4.943 10.811 -6.210 1.00 0.00 H new ATOM 0 HD2 LYS B 46 -3.106 9.694 -4.045 1.00 0.00 H new ATOM 0 HD3 LYS B 46 -2.918 9.491 -5.776 1.00 0.00 H new ATOM 0 HE2 LYS B 46 -2.737 12.127 -4.275 1.00 0.00 H new ATOM 0 HE3 LYS B 46 -1.379 11.194 -4.870 1.00 0.00 H new ATOM 0 HZ1 LYS B 46 -1.631 12.577 -6.605 1.00 0.00 H new ATOM 0 HZ2 LYS B 46 -2.763 11.415 -7.105 1.00 0.00 H new ATOM 0 HZ3 LYS B 46 -3.287 12.833 -6.332 1.00 0.00 H new ATOM 1701 N ARG B 47 -6.780 11.452 -1.132 1.00 0.00 N ATOM 1702 CA ARG B 47 -7.874 12.075 -0.358 1.00 0.00 C ATOM 1703 C ARG B 47 -7.339 12.777 0.919 1.00 0.00 C ATOM 1704 O ARG B 47 -7.461 14.000 1.059 1.00 0.00 O ATOM 1705 CB ARG B 47 -8.956 11.022 0.019 1.00 0.00 C ATOM 1706 CG ARG B 47 -9.483 10.155 -1.143 1.00 0.00 C ATOM 1707 CD ARG B 47 -10.033 10.965 -2.332 1.00 0.00 C ATOM 1708 NE ARG B 47 -10.372 10.094 -3.481 1.00 0.00 N ATOM 1709 CZ ARG B 47 -11.102 10.459 -4.549 1.00 0.00 C ATOM 1710 NH1 ARG B 47 -11.636 11.666 -4.624 1.00 0.00 N ATOM 1711 NH2 ARG B 47 -11.307 9.599 -5.534 1.00 0.00 N ATOM 0 H ARG B 47 -6.780 10.433 -1.091 1.00 0.00 H new ATOM 0 HA ARG B 47 -8.331 12.833 -0.993 1.00 0.00 H new ATOM 0 HB2 ARG B 47 -8.543 10.362 0.782 1.00 0.00 H new ATOM 0 HB3 ARG B 47 -9.800 11.542 0.471 1.00 0.00 H new ATOM 0 HG2 ARG B 47 -8.677 9.512 -1.497 1.00 0.00 H new ATOM 0 HG3 ARG B 47 -10.270 9.502 -0.767 1.00 0.00 H new ATOM 0 HD2 ARG B 47 -10.921 11.514 -2.018 1.00 0.00 H new ATOM 0 HD3 ARG B 47 -9.294 11.704 -2.642 1.00 0.00 H new ATOM 0 HE ARG B 47 -10.022 9.136 -3.460 1.00 0.00 H new ATOM 0 HH11 ARG B 47 -11.496 12.334 -3.866 1.00 0.00 H new ATOM 0 HH12 ARG B 47 -12.188 11.930 -5.440 1.00 0.00 H new ATOM 0 HH21 ARG B 47 -10.911 8.660 -5.482 1.00 0.00 H new ATOM 0 HH22 ARG B 47 -11.861 9.875 -6.345 1.00 0.00 H new ATOM 1725 N ASN B 48 -6.715 11.991 1.821 1.00 0.00 N ATOM 1726 CA ASN B 48 -6.327 12.468 3.177 1.00 0.00 C ATOM 1727 C ASN B 48 -5.291 11.524 3.827 1.00 0.00 C ATOM 1728 O ASN B 48 -5.077 11.575 5.025 1.00 0.00 O ATOM 1729 CB ASN B 48 -7.598 12.657 4.077 1.00 0.00 C ATOM 1730 CG ASN B 48 -7.361 13.395 5.413 1.00 0.00 C ATOM 1731 OD1 ASN B 48 -7.155 12.780 6.464 1.00 0.00 O ATOM 1732 ND2 ASN B 48 -7.377 14.722 5.370 1.00 0.00 N ATOM 0 H ASN B 48 -6.466 11.019 1.639 1.00 0.00 H new ATOM 0 HA ASN B 48 -5.847 13.441 3.077 1.00 0.00 H new ATOM 0 HB2 ASN B 48 -8.348 13.205 3.507 1.00 0.00 H new ATOM 0 HB3 ASN B 48 -8.018 11.675 4.294 1.00 0.00 H new ATOM 0 HD21 ASN B 48 -7.216 15.262 6.220 1.00 0.00 H new ATOM 0 HD22 ASN B 48 -7.550 15.202 4.487 1.00 0.00 H new ATOM 1739 N SER B 49 -4.623 10.677 3.026 1.00 0.00 N ATOM 1740 CA SER B 49 -3.669 9.667 3.551 1.00 0.00 C ATOM 1741 C SER B 49 -2.447 10.317 4.235 1.00 0.00 C ATOM 1742 O SER B 49 -1.900 9.762 5.197 1.00 0.00 O ATOM 1743 CB SER B 49 -3.214 8.746 2.437 1.00 0.00 C ATOM 1744 OG SER B 49 -2.435 7.675 2.912 1.00 0.00 O ATOM 0 H SER B 49 -4.721 10.666 2.011 1.00 0.00 H new ATOM 0 HA SER B 49 -4.197 9.088 4.309 1.00 0.00 H new ATOM 0 HB2 SER B 49 -4.086 8.354 1.914 1.00 0.00 H new ATOM 0 HB3 SER B 49 -2.637 9.317 1.710 1.00 0.00 H new ATOM 0 HG SER B 49 -2.680 7.478 3.840 1.00 0.00 H new ATOM 1750 N ALA B 50 -2.035 11.498 3.732 1.00 0.00 N ATOM 1751 CA ALA B 50 -0.990 12.317 4.371 1.00 0.00 C ATOM 1752 C ALA B 50 -1.418 12.806 5.778 1.00 0.00 C ATOM 1753 O ALA B 50 -0.567 13.133 6.613 1.00 0.00 O ATOM 1754 CB ALA B 50 -0.602 13.489 3.456 1.00 0.00 C ATOM 0 H ALA B 50 -2.415 11.907 2.878 1.00 0.00 H new ATOM 0 HA ALA B 50 -0.110 11.690 4.517 1.00 0.00 H new ATOM 0 HB1 ALA B 50 0.171 14.087 3.939 1.00 0.00 H new ATOM 0 HB2 ALA B 50 -0.223 13.102 2.510 1.00 0.00 H new ATOM 0 HB3 ALA B 50 -1.478 14.110 3.269 1.00 0.00 H new ATOM 1760 N GLY B 51 -2.738 12.853 6.020 1.00 0.00 N ATOM 1761 CA GLY B 51 -3.298 13.166 7.341 1.00 0.00 C ATOM 1762 C GLY B 51 -3.866 11.954 8.076 1.00 0.00 C ATOM 1763 O GLY B 51 -4.221 12.071 9.251 1.00 0.00 O ATOM 0 H GLY B 51 -3.444 12.675 5.306 1.00 0.00 H new ATOM 0 HA2 GLY B 51 -2.521 13.620 7.956 1.00 0.00 H new ATOM 0 HA3 GLY B 51 -4.086 13.910 7.224 1.00 0.00 H new ATOM 1767 N ALA B 52 -3.950 10.791 7.393 1.00 0.00 N ATOM 1768 CA ALA B 52 -4.514 9.537 7.959 1.00 0.00 C ATOM 1769 C ALA B 52 -3.696 9.042 9.159 1.00 0.00 C ATOM 1770 O ALA B 52 -2.506 9.293 9.237 1.00 0.00 O ATOM 1771 CB ALA B 52 -4.576 8.447 6.878 1.00 0.00 C ATOM 0 H ALA B 52 -3.629 10.691 6.430 1.00 0.00 H new ATOM 0 HA ALA B 52 -5.523 9.755 8.309 1.00 0.00 H new ATOM 0 HB1 ALA B 52 -4.991 7.534 7.305 1.00 0.00 H new ATOM 0 HB2 ALA B 52 -5.209 8.784 6.057 1.00 0.00 H new ATOM 0 HB3 ALA B 52 -3.572 8.249 6.503 1.00 0.00 H new ATOM 1777 N ASP B 53 -4.342 8.340 10.094 1.00 0.00 N ATOM 1778 CA ASP B 53 -3.657 7.795 11.285 1.00 0.00 C ATOM 1779 C ASP B 53 -2.815 6.554 10.907 1.00 0.00 C ATOM 1780 O ASP B 53 -2.994 5.960 9.839 1.00 0.00 O ATOM 1781 CB ASP B 53 -4.702 7.484 12.396 1.00 0.00 C ATOM 1782 CG ASP B 53 -4.117 6.999 13.738 1.00 0.00 C ATOM 1783 OD1 ASP B 53 -3.027 7.463 14.144 1.00 0.00 O ATOM 1784 OD2 ASP B 53 -4.760 6.169 14.412 1.00 0.00 O ATOM 0 H ASP B 53 -5.340 8.132 10.055 1.00 0.00 H new ATOM 0 HA ASP B 53 -2.964 8.538 11.680 1.00 0.00 H new ATOM 0 HB2 ASP B 53 -5.290 8.383 12.579 1.00 0.00 H new ATOM 0 HB3 ASP B 53 -5.389 6.724 12.023 1.00 0.00 H new ATOM 1789 N THR B 54 -1.830 6.234 11.739 1.00 0.00 N ATOM 1790 CA THR B 54 -1.001 5.035 11.585 1.00 0.00 C ATOM 1791 C THR B 54 -1.153 4.136 12.832 1.00 0.00 C ATOM 1792 O THR B 54 -0.584 4.411 13.891 1.00 0.00 O ATOM 1793 CB THR B 54 0.478 5.466 11.335 1.00 0.00 C ATOM 1794 OG1 THR B 54 0.516 6.368 10.210 1.00 0.00 O ATOM 1795 CG2 THR B 54 1.423 4.286 11.060 1.00 0.00 C ATOM 0 H THR B 54 -1.579 6.802 12.548 1.00 0.00 H new ATOM 0 HA THR B 54 -1.325 4.449 10.725 1.00 0.00 H new ATOM 0 HB THR B 54 0.829 5.945 12.249 1.00 0.00 H new ATOM 0 HG1 THR B 54 1.441 6.647 10.045 1.00 0.00 H new ATOM 0 HG21 THR B 54 2.434 4.660 10.895 1.00 0.00 H new ATOM 0 HG22 THR B 54 1.421 3.611 11.916 1.00 0.00 H new ATOM 0 HG23 THR B 54 1.086 3.749 10.173 1.00 0.00 H new ATOM 1803 N VAL B 55 -1.997 3.103 12.694 1.00 0.00 N ATOM 1804 CA VAL B 55 -2.300 2.115 13.752 1.00 0.00 C ATOM 1805 C VAL B 55 -1.483 0.838 13.510 1.00 0.00 C ATOM 1806 O VAL B 55 -1.544 0.283 12.421 1.00 0.00 O ATOM 1807 CB VAL B 55 -3.833 1.744 13.748 1.00 0.00 C ATOM 1808 CG1 VAL B 55 -4.181 0.692 14.826 1.00 0.00 C ATOM 1809 CG2 VAL B 55 -4.706 3.002 13.903 1.00 0.00 C ATOM 0 H VAL B 55 -2.502 2.923 11.826 1.00 0.00 H new ATOM 0 HA VAL B 55 -2.042 2.554 14.716 1.00 0.00 H new ATOM 0 HB VAL B 55 -4.050 1.294 12.779 1.00 0.00 H new ATOM 0 HG11 VAL B 55 -5.247 0.468 14.785 1.00 0.00 H new ATOM 0 HG12 VAL B 55 -3.612 -0.219 14.642 1.00 0.00 H new ATOM 0 HG13 VAL B 55 -3.930 1.084 15.812 1.00 0.00 H new ATOM 0 HG21 VAL B 55 -5.758 2.718 13.897 1.00 0.00 H new ATOM 0 HG22 VAL B 55 -4.469 3.496 14.845 1.00 0.00 H new ATOM 0 HG23 VAL B 55 -4.510 3.685 13.076 1.00 0.00 H new ATOM 1819 N ASP B 56 -0.720 0.400 14.523 1.00 0.00 N ATOM 1820 CA ASP B 56 0.040 -0.864 14.479 1.00 0.00 C ATOM 1821 C ASP B 56 -0.726 -1.974 15.227 1.00 0.00 C ATOM 1822 O ASP B 56 -0.871 -1.922 16.451 1.00 0.00 O ATOM 1823 CB ASP B 56 1.458 -0.663 15.079 1.00 0.00 C ATOM 1824 CG ASP B 56 2.390 -1.889 14.910 1.00 0.00 C ATOM 1825 OD1 ASP B 56 2.210 -2.892 15.625 1.00 0.00 O ATOM 1826 OD2 ASP B 56 3.322 -1.850 14.076 1.00 0.00 O ATOM 0 H ASP B 56 -0.611 0.912 15.399 1.00 0.00 H new ATOM 0 HA ASP B 56 0.154 -1.171 13.439 1.00 0.00 H new ATOM 0 HB2 ASP B 56 1.923 0.202 14.606 1.00 0.00 H new ATOM 0 HB3 ASP B 56 1.364 -0.434 16.141 1.00 0.00 H new ATOM 1831 N LEU B 57 -1.242 -2.947 14.461 1.00 0.00 N ATOM 1832 CA LEU B 57 -1.910 -4.152 14.985 1.00 0.00 C ATOM 1833 C LEU B 57 -0.895 -5.198 15.499 1.00 0.00 C ATOM 1834 O LEU B 57 -1.194 -5.916 16.450 1.00 0.00 O ATOM 1835 CB LEU B 57 -2.795 -4.806 13.881 1.00 0.00 C ATOM 1836 CG LEU B 57 -4.145 -4.103 13.503 1.00 0.00 C ATOM 1837 CD1 LEU B 57 -3.964 -2.619 13.116 1.00 0.00 C ATOM 1838 CD2 LEU B 57 -4.822 -4.877 12.353 1.00 0.00 C ATOM 0 H LEU B 57 -1.207 -2.920 13.442 1.00 0.00 H new ATOM 0 HA LEU B 57 -2.531 -3.833 15.822 1.00 0.00 H new ATOM 0 HB2 LEU B 57 -2.194 -4.883 12.975 1.00 0.00 H new ATOM 0 HB3 LEU B 57 -3.026 -5.823 14.198 1.00 0.00 H new ATOM 0 HG LEU B 57 -4.778 -4.116 14.390 1.00 0.00 H new ATOM 0 HD11 LEU B 57 -4.933 -2.188 12.865 1.00 0.00 H new ATOM 0 HD12 LEU B 57 -3.531 -2.074 13.955 1.00 0.00 H new ATOM 0 HD13 LEU B 57 -3.300 -2.546 12.254 1.00 0.00 H new ATOM 0 HD21 LEU B 57 -5.761 -4.389 12.089 1.00 0.00 H new ATOM 0 HD22 LEU B 57 -4.163 -4.889 11.485 1.00 0.00 H new ATOM 0 HD23 LEU B 57 -5.022 -5.900 12.671 1.00 0.00 H new ATOM 1850 N THR B 58 0.324 -5.256 14.902 1.00 0.00 N ATOM 1851 CA THR B 58 1.262 -6.390 15.125 1.00 0.00 C ATOM 1852 C THR B 58 2.068 -6.230 16.444 1.00 0.00 C ATOM 1853 O THR B 58 2.936 -7.050 16.755 1.00 0.00 O ATOM 1854 CB THR B 58 2.197 -6.641 13.880 1.00 0.00 C ATOM 1855 OG1 THR B 58 3.070 -7.767 14.086 1.00 0.00 O ATOM 1856 CG2 THR B 58 3.032 -5.417 13.486 1.00 0.00 C ATOM 0 H THR B 58 0.678 -4.539 14.269 1.00 0.00 H new ATOM 0 HA THR B 58 0.651 -7.285 15.240 1.00 0.00 H new ATOM 0 HB THR B 58 1.516 -6.855 13.056 1.00 0.00 H new ATOM 0 HG1 THR B 58 3.252 -7.869 15.044 1.00 0.00 H new ATOM 0 HG21 THR B 58 3.651 -5.661 12.623 1.00 0.00 H new ATOM 0 HG22 THR B 58 2.369 -4.590 13.234 1.00 0.00 H new ATOM 0 HG23 THR B 58 3.671 -5.128 14.321 1.00 0.00 H new ATOM 1864 N THR B 59 1.717 -5.209 17.249 1.00 0.00 N ATOM 1865 CA THR B 59 2.192 -5.076 18.638 1.00 0.00 C ATOM 1866 C THR B 59 1.471 -6.127 19.512 1.00 0.00 C ATOM 1867 O THR B 59 2.048 -6.669 20.460 1.00 0.00 O ATOM 1868 CB THR B 59 1.954 -3.618 19.180 1.00 0.00 C ATOM 1869 OG1 THR B 59 0.714 -3.103 18.657 1.00 0.00 O ATOM 1870 CG2 THR B 59 3.103 -2.660 18.805 1.00 0.00 C ATOM 0 H THR B 59 1.097 -4.455 16.954 1.00 0.00 H new ATOM 0 HA THR B 59 3.267 -5.255 18.675 1.00 0.00 H new ATOM 0 HB THR B 59 1.913 -3.678 20.268 1.00 0.00 H new ATOM 0 HG1 THR B 59 0.567 -2.196 18.997 1.00 0.00 H new ATOM 0 HG21 THR B 59 2.893 -1.667 19.201 1.00 0.00 H new ATOM 0 HG22 THR B 59 4.037 -3.029 19.228 1.00 0.00 H new ATOM 0 HG23 THR B 59 3.192 -2.606 17.720 1.00 0.00 H new