USER MOD reduce.3.24.130724 H: found=0, std=0, add=906, rem=0, adj=44 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: A 46 LYS NZ :NH3+ -157:sc= 1.99 (180deg=0.954) USER MOD Set 1.2: B 54 THR OG1 : rot 180:sc= 0.69 USER MOD Set 2.1: B 21 SER OG : rot 180:sc= 0 USER MOD Set 2.2: B 22 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Set 3.1: A 58 THR OG1 : rot -23:sc= 0.748 USER MOD Set 3.2: B 8 GLN : amide:sc= -0.231 X(o=0.67,f=0.85) USER MOD Set 3.3: B 14 TYR OH : rot 70:sc= 0.153 USER MOD Set 4.1: A 54 THR OG1 : rot 168:sc= 0.673 USER MOD Set 4.2: B 46 LYS NZ :NH3+ -175:sc= 1.76 (180deg=0.842) USER MOD Set 5.1: A 28 SER OG : rot 180:sc= -0.247 USER MOD Set 5.2: A 29 SER OG : rot 180:sc= 0 USER MOD Set 6.1: A 21 SER OG : rot 180:sc= 0 USER MOD Set 6.2: A 22 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Set 7.1: A 8 GLN : amide:sc= -0.297 X(o=-0.3,f=0) USER MOD Set 7.2: A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -162:sc= -0.165 (180deg=-0.78) USER MOD Single : A 1 MET N :NH3+ 131:sc= 0.0501 (180deg=0) USER MOD Single : A 2 TYR OH : rot 180:sc= -1.06 USER MOD Single : A 3 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.0166) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -143:sc= 0.799 (180deg=0.104) USER MOD Single : A 25 THR OG1 : rot 90:sc= -1.37 USER MOD Single : A 26 MET CE :methyl -161:sc= -6.24! (180deg=-7.89!) USER MOD Single : A 32 TYR OH : rot 47:sc= 0.247 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ -113:sc= 0.639 (180deg=-1.52!) USER MOD Single : A 37 SER OG : rot -129:sc= -0.163 USER MOD Single : A 40 HIS :FLIP no HE2:sc= 0.111 F(o=-0.5,f=0.11) USER MOD Single : A 44 SER OG : rot -131:sc= -0.414 USER MOD Single : A 48 ASN : amide:sc= -0.301 X(o=-0.3,f=-0.46) USER MOD Single : A 49 SER OG : rot 88:sc= -0.105 USER MOD Single : A 59 THR OG1 : rot -88:sc= 0.373 USER MOD Single : B 1 MET CE :methyl -166:sc= -0.0793 (180deg=-0.471) USER MOD Single : B 1 MET N :NH3+ 133:sc= 0.0808 (180deg=0) USER MOD Single : B 2 TYR OH : rot 180:sc= -0.827 USER MOD Single : B 3 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000779) USER MOD Single : B 7 TYR OH : rot 180:sc= 0 USER MOD Single : B 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 19 LYS NZ :NH3+ -128:sc= 1.25 (180deg=-0.339) USER MOD Single : B 25 THR OG1 : rot 140:sc= -0.836 USER MOD Single : B 26 MET CE :methyl -155:sc= -6.37! (180deg=-8.18!) USER MOD Single : B 28 SER OG : rot 180:sc= -0.135 USER MOD Single : B 29 SER OG : rot 180:sc= 0 USER MOD Single : B 32 TYR OH : rot 52:sc= 0.107 USER MOD Single : B 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 35 LYS NZ :NH3+ -123:sc= -0.145 (180deg=-2.08) USER MOD Single : B 37 SER OG : rot -130:sc= -0.105 USER MOD Single : B 40 HIS : no HE2:sc= -0.0595 X(o=-0.059,f=-0.46) USER MOD Single : B 44 SER OG : rot -120:sc= -0.607 USER MOD Single : B 48 ASN : amide:sc= -0.267 X(o=-0.27,f=-0.44) USER MOD Single : B 49 SER OG : rot 80:sc= -0.373 USER MOD Single : B 58 THR OG1 : rot -40:sc= 0.464 USER MOD Single : B 59 THR OG1 : rot -76:sc= 0.4 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.181 7.811 11.145 1.00 0.00 N ATOM 2 CA MET A 1 -11.316 8.064 9.967 1.00 0.00 C ATOM 3 C MET A 1 -10.536 6.790 9.601 1.00 0.00 C ATOM 4 O MET A 1 -10.236 5.970 10.480 1.00 0.00 O ATOM 5 CB MET A 1 -10.336 9.240 10.249 1.00 0.00 C ATOM 6 CG MET A 1 -9.592 9.781 9.016 1.00 0.00 C ATOM 7 SD MET A 1 -8.501 11.177 9.403 1.00 0.00 S ATOM 8 CE MET A 1 -9.650 12.347 10.141 1.00 0.00 C ATOM 0 H1 MET A 1 -12.043 8.567 11.846 1.00 0.00 H new ATOM 0 H2 MET A 1 -13.177 7.793 10.847 1.00 0.00 H new ATOM 0 H3 MET A 1 -11.930 6.896 11.570 1.00 0.00 H new ATOM 0 HA MET A 1 -11.949 8.342 9.124 1.00 0.00 H new ATOM 0 HB2 MET A 1 -10.896 10.057 10.704 1.00 0.00 H new ATOM 0 HB3 MET A 1 -9.600 8.911 10.982 1.00 0.00 H new ATOM 0 HG2 MET A 1 -9.003 8.978 8.573 1.00 0.00 H new ATOM 0 HG3 MET A 1 -10.320 10.093 8.267 1.00 0.00 H new ATOM 0 HE1 MET A 1 -9.209 13.344 10.133 1.00 0.00 H new ATOM 0 HE2 MET A 1 -10.578 12.356 9.569 1.00 0.00 H new ATOM 0 HE3 MET A 1 -9.860 12.051 11.169 1.00 0.00 H new ATOM 18 N TYR A 2 -10.227 6.626 8.298 1.00 0.00 N ATOM 19 CA TYR A 2 -9.366 5.535 7.812 1.00 0.00 C ATOM 20 C TYR A 2 -7.893 5.756 8.222 1.00 0.00 C ATOM 21 O TYR A 2 -7.488 6.870 8.590 1.00 0.00 O ATOM 22 CB TYR A 2 -9.519 5.324 6.284 1.00 0.00 C ATOM 23 CG TYR A 2 -9.454 6.572 5.374 1.00 0.00 C ATOM 24 CD1 TYR A 2 -8.384 7.471 5.415 1.00 0.00 C ATOM 25 CD2 TYR A 2 -10.459 6.816 4.434 1.00 0.00 C ATOM 26 CE1 TYR A 2 -8.329 8.559 4.566 1.00 0.00 C ATOM 27 CE2 TYR A 2 -10.398 7.892 3.582 1.00 0.00 C ATOM 28 CZ TYR A 2 -9.334 8.756 3.650 1.00 0.00 C ATOM 29 OH TYR A 2 -9.272 9.818 2.787 1.00 0.00 O ATOM 0 H TYR A 2 -10.566 7.243 7.560 1.00 0.00 H new ATOM 0 HA TYR A 2 -9.698 4.615 8.292 1.00 0.00 H new ATOM 0 HB2 TYR A 2 -8.740 4.633 5.962 1.00 0.00 H new ATOM 0 HB3 TYR A 2 -10.475 4.831 6.108 1.00 0.00 H new ATOM 0 HD1 TYR A 2 -7.585 7.312 6.124 1.00 0.00 H new ATOM 0 HD2 TYR A 2 -11.302 6.144 4.376 1.00 0.00 H new ATOM 0 HE1 TYR A 2 -7.501 9.251 4.622 1.00 0.00 H new ATOM 0 HE2 TYR A 2 -11.185 8.057 2.861 1.00 0.00 H new ATOM 0 HH TYR A 2 -10.060 9.812 2.204 1.00 0.00 H new ATOM 39 N LYS A 3 -7.094 4.682 8.118 1.00 0.00 N ATOM 40 CA LYS A 3 -5.769 4.611 8.749 1.00 0.00 C ATOM 41 C LYS A 3 -4.913 3.471 8.177 1.00 0.00 C ATOM 42 O LYS A 3 -5.363 2.695 7.319 1.00 0.00 O ATOM 43 CB LYS A 3 -5.897 4.520 10.316 1.00 0.00 C ATOM 44 CG LYS A 3 -7.066 3.683 10.898 1.00 0.00 C ATOM 45 CD LYS A 3 -7.017 2.182 10.557 1.00 0.00 C ATOM 46 CE LYS A 3 -8.118 1.383 11.277 1.00 0.00 C ATOM 47 NZ LYS A 3 -9.487 1.837 10.914 1.00 0.00 N ATOM 0 H LYS A 3 -7.348 3.843 7.596 1.00 0.00 H new ATOM 0 HA LYS A 3 -5.245 5.537 8.511 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -4.965 4.110 10.705 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -5.985 5.535 10.704 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -7.070 3.795 11.982 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -8.007 4.094 10.531 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -7.123 2.053 9.480 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -6.041 1.781 10.832 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -8.013 0.326 11.032 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -7.983 1.476 12.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -10.190 1.244 11.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -9.612 2.828 11.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -9.618 1.756 9.885 1.00 0.00 H new ATOM 61 N PHE A 4 -3.673 3.396 8.687 1.00 0.00 N ATOM 62 CA PHE A 4 -2.692 2.376 8.319 1.00 0.00 C ATOM 63 C PHE A 4 -2.662 1.306 9.410 1.00 0.00 C ATOM 64 O PHE A 4 -2.219 1.566 10.534 1.00 0.00 O ATOM 65 CB PHE A 4 -1.292 3.005 8.131 1.00 0.00 C ATOM 66 CG PHE A 4 -1.211 3.955 6.940 1.00 0.00 C ATOM 67 CD1 PHE A 4 -1.527 5.309 7.073 1.00 0.00 C ATOM 68 CD2 PHE A 4 -0.821 3.487 5.684 1.00 0.00 C ATOM 69 CE1 PHE A 4 -1.455 6.160 5.990 1.00 0.00 C ATOM 70 CE2 PHE A 4 -0.750 4.339 4.606 1.00 0.00 C ATOM 71 CZ PHE A 4 -1.065 5.674 4.760 1.00 0.00 C ATOM 0 H PHE A 4 -3.323 4.058 9.380 1.00 0.00 H new ATOM 0 HA PHE A 4 -2.978 1.922 7.370 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -1.020 3.546 9.037 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -0.558 2.209 8.002 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -1.831 5.694 8.035 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -0.572 2.444 5.557 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -1.704 7.205 6.105 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -0.448 3.963 3.640 1.00 0.00 H new ATOM 0 HZ PHE A 4 -1.006 6.341 3.913 1.00 0.00 H new ATOM 81 N GLU A 5 -3.128 0.104 9.059 1.00 0.00 N ATOM 82 CA GLU A 5 -3.195 -1.024 9.984 1.00 0.00 C ATOM 83 C GLU A 5 -1.919 -1.845 9.845 1.00 0.00 C ATOM 84 O GLU A 5 -1.747 -2.570 8.853 1.00 0.00 O ATOM 85 CB GLU A 5 -4.451 -1.906 9.733 1.00 0.00 C ATOM 86 CG GLU A 5 -5.783 -1.227 10.093 1.00 0.00 C ATOM 87 CD GLU A 5 -7.013 -2.140 9.948 1.00 0.00 C ATOM 88 OE1 GLU A 5 -7.133 -2.842 8.928 1.00 0.00 O ATOM 89 OE2 GLU A 5 -7.884 -2.139 10.844 1.00 0.00 O ATOM 0 H GLU A 5 -3.470 -0.112 8.122 1.00 0.00 H new ATOM 0 HA GLU A 5 -3.282 -0.641 11.001 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -4.475 -2.193 8.682 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -4.357 -2.825 10.312 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -5.729 -0.868 11.121 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -5.916 -0.352 9.457 1.00 0.00 H new ATOM 96 N ILE A 6 -1.029 -1.720 10.845 1.00 0.00 N ATOM 97 CA ILE A 6 0.287 -2.363 10.845 1.00 0.00 C ATOM 98 C ILE A 6 0.190 -3.620 11.700 1.00 0.00 C ATOM 99 O ILE A 6 -0.119 -3.544 12.888 1.00 0.00 O ATOM 100 CB ILE A 6 1.399 -1.448 11.468 1.00 0.00 C ATOM 101 CG1 ILE A 6 1.320 0.000 10.903 1.00 0.00 C ATOM 102 CG2 ILE A 6 2.806 -2.079 11.242 1.00 0.00 C ATOM 103 CD1 ILE A 6 2.076 1.028 11.729 1.00 0.00 C ATOM 0 H ILE A 6 -1.209 -1.164 11.681 1.00 0.00 H new ATOM 0 HA ILE A 6 0.560 -2.575 9.811 1.00 0.00 H new ATOM 0 HB ILE A 6 1.229 -1.380 12.542 1.00 0.00 H new ATOM 0 HG12 ILE A 6 1.714 0.005 9.887 1.00 0.00 H new ATOM 0 HG13 ILE A 6 0.273 0.298 10.840 1.00 0.00 H new ATOM 0 HG21 ILE A 6 3.568 -1.434 11.679 1.00 0.00 H new ATOM 0 HG22 ILE A 6 2.845 -3.060 11.716 1.00 0.00 H new ATOM 0 HG23 ILE A 6 2.990 -2.185 10.173 1.00 0.00 H new ATOM 0 HD11 ILE A 6 1.972 2.011 11.270 1.00 0.00 H new ATOM 0 HD12 ILE A 6 1.668 1.054 12.739 1.00 0.00 H new ATOM 0 HD13 ILE A 6 3.131 0.757 11.771 1.00 0.00 H new ATOM 115 N TYR A 7 0.456 -4.754 11.102 1.00 0.00 N ATOM 116 CA TYR A 7 0.435 -6.038 11.797 1.00 0.00 C ATOM 117 C TYR A 7 1.585 -6.903 11.289 1.00 0.00 C ATOM 118 O TYR A 7 2.396 -6.454 10.480 1.00 0.00 O ATOM 119 CB TYR A 7 -0.952 -6.728 11.621 1.00 0.00 C ATOM 120 CG TYR A 7 -1.358 -6.989 10.159 1.00 0.00 C ATOM 121 CD1 TYR A 7 -1.946 -5.987 9.380 1.00 0.00 C ATOM 122 CD2 TYR A 7 -1.129 -8.232 9.555 1.00 0.00 C ATOM 123 CE1 TYR A 7 -2.302 -6.220 8.069 1.00 0.00 C ATOM 124 CE2 TYR A 7 -1.485 -8.463 8.245 1.00 0.00 C ATOM 125 CZ TYR A 7 -2.062 -7.460 7.503 1.00 0.00 C ATOM 126 OH TYR A 7 -2.426 -7.706 6.195 1.00 0.00 O ATOM 0 H TYR A 7 0.696 -4.824 10.113 1.00 0.00 H new ATOM 0 HA TYR A 7 0.576 -5.887 12.867 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -0.941 -7.678 12.156 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -1.714 -6.106 12.090 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -2.124 -5.014 9.813 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -0.665 -9.023 10.126 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -2.766 -5.438 7.486 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -1.311 -9.432 7.801 1.00 0.00 H new ATOM 0 HH TYR A 7 -2.185 -8.625 5.956 1.00 0.00 H new ATOM 136 N GLN A 8 1.678 -8.128 11.798 1.00 0.00 N ATOM 137 CA GLN A 8 2.578 -9.150 11.244 1.00 0.00 C ATOM 138 C GLN A 8 1.754 -10.381 10.859 1.00 0.00 C ATOM 139 O GLN A 8 0.696 -10.656 11.445 1.00 0.00 O ATOM 140 CB GLN A 8 3.749 -9.510 12.202 1.00 0.00 C ATOM 141 CG GLN A 8 3.448 -10.536 13.308 1.00 0.00 C ATOM 142 CD GLN A 8 4.582 -10.658 14.337 1.00 0.00 C ATOM 143 OE1 GLN A 8 4.341 -10.854 15.528 1.00 0.00 O ATOM 144 NE2 GLN A 8 5.832 -10.611 13.875 1.00 0.00 N ATOM 0 H GLN A 8 1.137 -8.445 12.602 1.00 0.00 H new ATOM 0 HA GLN A 8 3.056 -8.741 10.354 1.00 0.00 H new ATOM 0 HB2 GLN A 8 4.575 -9.890 11.601 1.00 0.00 H new ATOM 0 HB3 GLN A 8 4.096 -8.591 12.676 1.00 0.00 H new ATOM 0 HG2 GLN A 8 2.529 -10.251 13.820 1.00 0.00 H new ATOM 0 HG3 GLN A 8 3.271 -11.511 12.853 1.00 0.00 H new ATOM 0 HE21 GLN A 8 6.003 -10.447 12.883 1.00 0.00 H new ATOM 0 HE22 GLN A 8 6.617 -10.739 14.514 1.00 0.00 H new ATOM 153 N ASP A 9 2.243 -11.081 9.848 1.00 0.00 N ATOM 154 CA ASP A 9 1.611 -12.264 9.277 1.00 0.00 C ATOM 155 C ASP A 9 2.104 -13.510 10.020 1.00 0.00 C ATOM 156 O ASP A 9 3.107 -13.425 10.728 1.00 0.00 O ATOM 157 CB ASP A 9 1.971 -12.327 7.764 1.00 0.00 C ATOM 158 CG ASP A 9 1.328 -13.499 7.002 1.00 0.00 C ATOM 159 OD1 ASP A 9 0.138 -13.396 6.635 1.00 0.00 O ATOM 160 OD2 ASP A 9 2.002 -14.536 6.784 1.00 0.00 O ATOM 0 H ASP A 9 3.119 -10.835 9.386 1.00 0.00 H new ATOM 0 HA ASP A 9 0.527 -12.218 9.382 1.00 0.00 H new ATOM 0 HB2 ASP A 9 1.666 -11.393 7.292 1.00 0.00 H new ATOM 0 HB3 ASP A 9 3.054 -12.396 7.664 1.00 0.00 H new ATOM 165 N LYS A 10 1.384 -14.643 9.823 1.00 0.00 N ATOM 166 CA LYS A 10 1.716 -15.994 10.350 1.00 0.00 C ATOM 167 C LYS A 10 3.211 -16.352 10.164 1.00 0.00 C ATOM 168 O LYS A 10 3.832 -16.972 11.031 1.00 0.00 O ATOM 169 CB LYS A 10 0.825 -17.053 9.642 1.00 0.00 C ATOM 170 CG LYS A 10 1.085 -18.516 10.073 1.00 0.00 C ATOM 171 CD LYS A 10 0.371 -19.550 9.179 1.00 0.00 C ATOM 172 CE LYS A 10 0.679 -20.998 9.597 1.00 0.00 C ATOM 173 NZ LYS A 10 -0.079 -21.985 8.787 1.00 0.00 N ATOM 0 H LYS A 10 0.525 -14.643 9.273 1.00 0.00 H new ATOM 0 HA LYS A 10 1.521 -15.989 11.422 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -0.221 -16.813 9.834 1.00 0.00 H new ATOM 0 HB3 LYS A 10 0.978 -16.974 8.566 1.00 0.00 H new ATOM 0 HG2 LYS A 10 2.158 -18.708 10.054 1.00 0.00 H new ATOM 0 HG3 LYS A 10 0.756 -18.648 11.104 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -0.705 -19.383 9.223 1.00 0.00 H new ATOM 0 HD3 LYS A 10 0.674 -19.401 8.143 1.00 0.00 H new ATOM 0 HE2 LYS A 10 1.747 -21.186 9.491 1.00 0.00 H new ATOM 0 HE3 LYS A 10 0.435 -21.131 10.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 0.158 -22.948 9.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -1.099 -21.823 8.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 0.172 -21.877 7.784 1.00 0.00 H new ATOM 187 N ALA A 11 3.775 -15.919 9.023 1.00 0.00 N ATOM 188 CA ALA A 11 5.199 -16.128 8.674 1.00 0.00 C ATOM 189 C ALA A 11 6.145 -15.154 9.440 1.00 0.00 C ATOM 190 O ALA A 11 7.339 -15.080 9.145 1.00 0.00 O ATOM 191 CB ALA A 11 5.373 -15.991 7.151 1.00 0.00 C ATOM 0 H ALA A 11 3.255 -15.410 8.309 1.00 0.00 H new ATOM 0 HA ALA A 11 5.483 -17.134 8.983 1.00 0.00 H new ATOM 0 HB1 ALA A 11 6.420 -16.144 6.889 1.00 0.00 H new ATOM 0 HB2 ALA A 11 4.760 -16.737 6.646 1.00 0.00 H new ATOM 0 HB3 ALA A 11 5.063 -14.994 6.838 1.00 0.00 H new ATOM 197 N GLY A 12 5.588 -14.444 10.441 1.00 0.00 N ATOM 198 CA GLY A 12 6.285 -13.419 11.224 1.00 0.00 C ATOM 199 C GLY A 12 6.702 -12.225 10.385 1.00 0.00 C ATOM 200 O GLY A 12 7.734 -11.602 10.651 1.00 0.00 O ATOM 0 H GLY A 12 4.618 -14.575 10.730 1.00 0.00 H new ATOM 0 HA2 GLY A 12 5.636 -13.081 12.032 1.00 0.00 H new ATOM 0 HA3 GLY A 12 7.168 -13.859 11.687 1.00 0.00 H new ATOM 204 N GLU A 13 5.881 -11.894 9.372 1.00 0.00 N ATOM 205 CA GLU A 13 6.228 -10.858 8.370 1.00 0.00 C ATOM 206 C GLU A 13 5.386 -9.603 8.585 1.00 0.00 C ATOM 207 O GLU A 13 4.172 -9.638 8.388 1.00 0.00 O ATOM 208 CB GLU A 13 6.044 -11.394 6.918 1.00 0.00 C ATOM 209 CG GLU A 13 6.989 -12.562 6.556 1.00 0.00 C ATOM 210 CD GLU A 13 6.899 -12.986 5.078 1.00 0.00 C ATOM 211 OE1 GLU A 13 5.854 -13.544 4.675 1.00 0.00 O ATOM 212 OE2 GLU A 13 7.860 -12.748 4.309 1.00 0.00 O ATOM 0 H GLU A 13 4.970 -12.327 9.222 1.00 0.00 H new ATOM 0 HA GLU A 13 7.279 -10.601 8.504 1.00 0.00 H new ATOM 0 HB2 GLU A 13 5.012 -11.722 6.790 1.00 0.00 H new ATOM 0 HB3 GLU A 13 6.208 -10.576 6.216 1.00 0.00 H new ATOM 0 HG2 GLU A 13 8.015 -12.272 6.781 1.00 0.00 H new ATOM 0 HG3 GLU A 13 6.754 -13.419 7.187 1.00 0.00 H new ATOM 219 N TYR A 14 6.053 -8.469 8.863 1.00 0.00 N ATOM 220 CA TYR A 14 5.356 -7.226 9.198 1.00 0.00 C ATOM 221 C TYR A 14 4.895 -6.575 7.888 1.00 0.00 C ATOM 222 O TYR A 14 5.691 -6.369 6.973 1.00 0.00 O ATOM 223 CB TYR A 14 6.234 -6.253 10.015 1.00 0.00 C ATOM 224 CG TYR A 14 6.540 -6.746 11.433 1.00 0.00 C ATOM 225 CD1 TYR A 14 5.675 -6.461 12.495 1.00 0.00 C ATOM 226 CD2 TYR A 14 7.684 -7.492 11.714 1.00 0.00 C ATOM 227 CE1 TYR A 14 5.945 -6.908 13.772 1.00 0.00 C ATOM 228 CE2 TYR A 14 7.951 -7.940 12.987 1.00 0.00 C ATOM 229 CZ TYR A 14 7.083 -7.640 14.013 1.00 0.00 C ATOM 230 OH TYR A 14 7.354 -8.080 15.286 1.00 0.00 O ATOM 0 H TYR A 14 7.070 -8.393 8.861 1.00 0.00 H new ATOM 0 HA TYR A 14 4.502 -7.462 9.834 1.00 0.00 H new ATOM 0 HB2 TYR A 14 7.173 -6.092 9.485 1.00 0.00 H new ATOM 0 HB3 TYR A 14 5.732 -5.287 10.075 1.00 0.00 H new ATOM 0 HD1 TYR A 14 4.782 -5.882 12.312 1.00 0.00 H new ATOM 0 HD2 TYR A 14 8.374 -7.723 10.916 1.00 0.00 H new ATOM 0 HE1 TYR A 14 5.264 -6.683 14.580 1.00 0.00 H new ATOM 0 HE2 TYR A 14 8.838 -8.525 13.181 1.00 0.00 H new ATOM 0 HH TYR A 14 8.195 -8.583 15.286 1.00 0.00 H new ATOM 240 N ARG A 15 3.591 -6.317 7.828 1.00 0.00 N ATOM 241 CA ARG A 15 2.907 -5.739 6.672 1.00 0.00 C ATOM 242 C ARG A 15 1.876 -4.738 7.179 1.00 0.00 C ATOM 243 O ARG A 15 1.169 -5.015 8.158 1.00 0.00 O ATOM 244 CB ARG A 15 2.195 -6.840 5.832 1.00 0.00 C ATOM 245 CG ARG A 15 3.030 -8.120 5.556 1.00 0.00 C ATOM 246 CD ARG A 15 2.152 -9.323 5.192 1.00 0.00 C ATOM 247 NE ARG A 15 2.939 -10.511 4.798 1.00 0.00 N ATOM 248 CZ ARG A 15 2.462 -11.559 4.097 1.00 0.00 C ATOM 249 NH1 ARG A 15 1.209 -11.561 3.655 1.00 0.00 N ATOM 250 NH2 ARG A 15 3.252 -12.592 3.826 1.00 0.00 N ATOM 0 H ARG A 15 2.961 -6.510 8.606 1.00 0.00 H new ATOM 0 HA ARG A 15 3.639 -5.249 6.030 1.00 0.00 H new ATOM 0 HB2 ARG A 15 1.279 -7.130 6.348 1.00 0.00 H new ATOM 0 HB3 ARG A 15 1.899 -6.408 4.876 1.00 0.00 H new ATOM 0 HG2 ARG A 15 3.730 -7.926 4.744 1.00 0.00 H new ATOM 0 HG3 ARG A 15 3.624 -8.360 6.438 1.00 0.00 H new ATOM 0 HD2 ARG A 15 1.521 -9.577 6.044 1.00 0.00 H new ATOM 0 HD3 ARG A 15 1.487 -9.047 4.374 1.00 0.00 H new ATOM 0 HE ARG A 15 3.919 -10.540 5.078 1.00 0.00 H new ATOM 0 HH11 ARG A 15 0.600 -10.765 3.845 1.00 0.00 H new ATOM 0 HH12 ARG A 15 0.856 -12.358 3.125 1.00 0.00 H new ATOM 0 HH21 ARG A 15 4.220 -12.592 4.148 1.00 0.00 H new ATOM 0 HH22 ARG A 15 2.891 -13.385 3.296 1.00 0.00 H new ATOM 264 N PHE A 16 1.783 -3.584 6.517 1.00 0.00 N ATOM 265 CA PHE A 16 0.708 -2.629 6.759 1.00 0.00 C ATOM 266 C PHE A 16 -0.243 -2.627 5.563 1.00 0.00 C ATOM 267 O PHE A 16 0.037 -3.230 4.503 1.00 0.00 O ATOM 268 CB PHE A 16 1.249 -1.204 7.078 1.00 0.00 C ATOM 269 CG PHE A 16 2.125 -0.559 5.994 1.00 0.00 C ATOM 270 CD1 PHE A 16 3.496 -0.801 5.949 1.00 0.00 C ATOM 271 CD2 PHE A 16 1.588 0.309 5.042 1.00 0.00 C ATOM 272 CE1 PHE A 16 4.297 -0.211 4.991 1.00 0.00 C ATOM 273 CE2 PHE A 16 2.396 0.902 4.087 1.00 0.00 C ATOM 274 CZ PHE A 16 3.745 0.641 4.060 1.00 0.00 C ATOM 0 H PHE A 16 2.448 -3.289 5.802 1.00 0.00 H new ATOM 0 HA PHE A 16 0.157 -2.941 7.646 1.00 0.00 H new ATOM 0 HB2 PHE A 16 0.399 -0.548 7.268 1.00 0.00 H new ATOM 0 HB3 PHE A 16 1.826 -1.254 8.001 1.00 0.00 H new ATOM 0 HD1 PHE A 16 3.941 -1.463 6.677 1.00 0.00 H new ATOM 0 HD2 PHE A 16 0.529 0.521 5.050 1.00 0.00 H new ATOM 0 HE1 PHE A 16 5.357 -0.418 4.972 1.00 0.00 H new ATOM 0 HE2 PHE A 16 1.964 1.573 3.359 1.00 0.00 H new ATOM 0 HZ PHE A 16 4.371 1.103 3.311 1.00 0.00 H new ATOM 284 N ARG A 17 -1.394 -2.018 5.795 1.00 0.00 N ATOM 285 CA ARG A 17 -2.415 -1.775 4.777 1.00 0.00 C ATOM 286 C ARG A 17 -2.996 -0.372 4.978 1.00 0.00 C ATOM 287 O ARG A 17 -2.846 0.207 6.057 1.00 0.00 O ATOM 288 CB ARG A 17 -3.521 -2.867 4.890 1.00 0.00 C ATOM 289 CG ARG A 17 -4.324 -2.818 6.212 1.00 0.00 C ATOM 290 CD ARG A 17 -4.952 -4.164 6.629 1.00 0.00 C ATOM 291 NE ARG A 17 -6.008 -4.654 5.715 1.00 0.00 N ATOM 292 CZ ARG A 17 -7.147 -5.252 6.119 1.00 0.00 C ATOM 293 NH1 ARG A 17 -7.509 -5.228 7.394 1.00 0.00 N ATOM 294 NH2 ARG A 17 -7.946 -5.821 5.232 1.00 0.00 N ATOM 0 H ARG A 17 -1.655 -1.669 6.717 1.00 0.00 H new ATOM 0 HA ARG A 17 -1.981 -1.829 3.778 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -4.211 -2.758 4.054 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -3.058 -3.849 4.795 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -3.665 -2.476 7.010 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -5.117 -2.077 6.114 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -4.164 -4.915 6.691 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -5.373 -4.061 7.629 1.00 0.00 H new ATOM 0 HE ARG A 17 -5.865 -4.531 4.713 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -6.924 -4.754 8.081 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -8.373 -5.684 7.688 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -7.701 -5.808 4.242 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -8.808 -6.273 5.538 1.00 0.00 H new ATOM 308 N PHE A 18 -3.661 0.162 3.949 1.00 0.00 N ATOM 309 CA PHE A 18 -4.390 1.437 4.054 1.00 0.00 C ATOM 310 C PHE A 18 -5.856 1.156 3.761 1.00 0.00 C ATOM 311 O PHE A 18 -6.199 0.430 2.809 1.00 0.00 O ATOM 312 CB PHE A 18 -3.826 2.525 3.110 1.00 0.00 C ATOM 313 CG PHE A 18 -4.495 3.892 3.226 1.00 0.00 C ATOM 314 CD1 PHE A 18 -4.726 4.475 4.475 1.00 0.00 C ATOM 315 CD2 PHE A 18 -4.866 4.605 2.091 1.00 0.00 C ATOM 316 CE1 PHE A 18 -5.316 5.715 4.574 1.00 0.00 C ATOM 317 CE2 PHE A 18 -5.452 5.844 2.190 1.00 0.00 C ATOM 318 CZ PHE A 18 -5.675 6.401 3.430 1.00 0.00 C ATOM 0 H PHE A 18 -3.711 -0.270 3.026 1.00 0.00 H new ATOM 0 HA PHE A 18 -4.270 1.837 5.061 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -2.761 2.641 3.310 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -3.922 2.177 2.081 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -4.439 3.947 5.372 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -4.690 4.177 1.115 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -5.498 6.151 5.545 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -5.737 6.380 1.297 1.00 0.00 H new ATOM 0 HZ PHE A 18 -6.132 7.377 3.508 1.00 0.00 H new ATOM 328 N LYS A 19 -6.703 1.707 4.618 1.00 0.00 N ATOM 329 CA LYS A 19 -8.136 1.431 4.647 1.00 0.00 C ATOM 330 C LYS A 19 -8.954 2.561 3.998 1.00 0.00 C ATOM 331 O LYS A 19 -8.411 3.558 3.503 1.00 0.00 O ATOM 332 CB LYS A 19 -8.545 1.221 6.134 1.00 0.00 C ATOM 333 CG LYS A 19 -7.782 0.063 6.822 1.00 0.00 C ATOM 334 CD LYS A 19 -8.042 -1.294 6.116 1.00 0.00 C ATOM 335 CE LYS A 19 -9.485 -1.789 6.305 1.00 0.00 C ATOM 336 NZ LYS A 19 -9.738 -2.259 7.688 1.00 0.00 N ATOM 0 H LYS A 19 -6.408 2.375 5.330 1.00 0.00 H new ATOM 0 HA LYS A 19 -8.349 0.535 4.064 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -8.366 2.143 6.686 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -9.615 1.022 6.184 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -6.713 0.277 6.817 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -8.088 -0.005 7.866 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -7.833 -1.192 5.051 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -7.351 -2.041 6.506 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -10.178 -0.983 6.064 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -9.684 -2.601 5.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -10.370 -3.085 7.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -8.837 -2.525 8.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -10.185 -1.497 8.237 1.00 0.00 H new ATOM 350 N ALA A 20 -10.271 2.360 4.021 1.00 0.00 N ATOM 351 CA ALA A 20 -11.291 3.322 3.582 1.00 0.00 C ATOM 352 C ALA A 20 -12.311 3.465 4.724 1.00 0.00 C ATOM 353 O ALA A 20 -12.278 2.653 5.671 1.00 0.00 O ATOM 354 CB ALA A 20 -11.933 2.855 2.271 1.00 0.00 C ATOM 0 H ALA A 20 -10.677 1.488 4.359 1.00 0.00 H new ATOM 0 HA ALA A 20 -10.854 4.298 3.372 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -12.687 3.577 1.958 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -11.167 2.772 1.500 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -12.402 1.883 2.422 1.00 0.00 H new ATOM 360 N SER A 21 -13.275 4.411 4.628 1.00 0.00 N ATOM 361 CA SER A 21 -14.022 4.889 5.813 1.00 0.00 C ATOM 362 C SER A 21 -14.970 3.787 6.366 1.00 0.00 C ATOM 363 O SER A 21 -15.189 3.695 7.577 1.00 0.00 O ATOM 364 CB SER A 21 -14.847 6.129 5.404 1.00 0.00 C ATOM 365 OG SER A 21 -15.691 5.842 4.294 1.00 0.00 O ATOM 0 H SER A 21 -13.551 4.854 3.751 1.00 0.00 H new ATOM 0 HA SER A 21 -13.313 5.143 6.601 1.00 0.00 H new ATOM 0 HB2 SER A 21 -15.452 6.461 6.248 1.00 0.00 H new ATOM 0 HB3 SER A 21 -14.175 6.949 5.151 1.00 0.00 H new ATOM 0 HG SER A 21 -16.203 6.643 4.057 1.00 0.00 H new ATOM 371 N ASN A 22 -15.507 2.940 5.454 1.00 0.00 N ATOM 372 CA ASN A 22 -16.462 1.854 5.802 1.00 0.00 C ATOM 373 C ASN A 22 -15.731 0.517 6.069 1.00 0.00 C ATOM 374 O ASN A 22 -16.360 -0.546 6.097 1.00 0.00 O ATOM 375 CB ASN A 22 -17.518 1.676 4.671 1.00 0.00 C ATOM 376 CG ASN A 22 -18.315 2.949 4.382 1.00 0.00 C ATOM 377 OD1 ASN A 22 -19.343 3.212 5.007 1.00 0.00 O ATOM 378 ND2 ASN A 22 -17.848 3.752 3.431 1.00 0.00 N ATOM 0 H ASN A 22 -15.292 2.989 4.458 1.00 0.00 H new ATOM 0 HA ASN A 22 -16.971 2.144 6.721 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -17.013 1.357 3.759 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -18.208 0.879 4.949 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -18.344 4.613 3.202 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -16.994 3.507 2.931 1.00 0.00 H new ATOM 385 N GLY A 23 -14.407 0.590 6.301 1.00 0.00 N ATOM 386 CA GLY A 23 -13.594 -0.587 6.640 1.00 0.00 C ATOM 387 C GLY A 23 -13.146 -1.416 5.437 1.00 0.00 C ATOM 388 O GLY A 23 -12.784 -2.589 5.598 1.00 0.00 O ATOM 0 H GLY A 23 -13.877 1.460 6.259 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -12.711 -0.257 7.187 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -14.166 -1.226 7.313 1.00 0.00 H new ATOM 392 N GLU A 24 -13.162 -0.811 4.241 1.00 0.00 N ATOM 393 CA GLU A 24 -12.652 -1.452 3.003 1.00 0.00 C ATOM 394 C GLU A 24 -11.127 -1.263 2.914 1.00 0.00 C ATOM 395 O GLU A 24 -10.597 -0.318 3.490 1.00 0.00 O ATOM 396 CB GLU A 24 -13.355 -0.842 1.761 1.00 0.00 C ATOM 397 CG GLU A 24 -14.898 -0.955 1.782 1.00 0.00 C ATOM 398 CD GLU A 24 -15.425 -2.406 1.762 1.00 0.00 C ATOM 399 OE1 GLU A 24 -15.451 -3.023 0.669 1.00 0.00 O ATOM 400 OE2 GLU A 24 -15.807 -2.941 2.829 1.00 0.00 O ATOM 0 H GLU A 24 -13.525 0.131 4.096 1.00 0.00 H new ATOM 0 HA GLU A 24 -12.871 -2.519 3.030 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -13.081 0.210 1.683 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -12.978 -1.337 0.866 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -15.276 -0.455 2.674 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -15.302 -0.421 0.922 1.00 0.00 H new ATOM 407 N THR A 25 -10.417 -2.165 2.211 1.00 0.00 N ATOM 408 CA THR A 25 -8.949 -2.039 1.996 1.00 0.00 C ATOM 409 C THR A 25 -8.655 -1.842 0.501 1.00 0.00 C ATOM 410 O THR A 25 -9.412 -2.305 -0.357 1.00 0.00 O ATOM 411 CB THR A 25 -8.164 -3.279 2.542 1.00 0.00 C ATOM 412 OG1 THR A 25 -8.639 -3.590 3.847 1.00 0.00 O ATOM 413 CG2 THR A 25 -6.638 -3.044 2.605 1.00 0.00 C ATOM 0 H THR A 25 -10.829 -2.992 1.779 1.00 0.00 H new ATOM 0 HA THR A 25 -8.608 -1.168 2.555 1.00 0.00 H new ATOM 0 HB THR A 25 -8.337 -4.103 1.850 1.00 0.00 H new ATOM 0 HG1 THR A 25 -9.384 -4.223 3.782 1.00 0.00 H new ATOM 0 HG21 THR A 25 -6.148 -3.938 2.991 1.00 0.00 H new ATOM 0 HG22 THR A 25 -6.262 -2.827 1.605 1.00 0.00 H new ATOM 0 HG23 THR A 25 -6.427 -2.201 3.263 1.00 0.00 H new ATOM 421 N MET A 26 -7.548 -1.144 0.214 1.00 0.00 N ATOM 422 CA MET A 26 -7.150 -0.780 -1.156 1.00 0.00 C ATOM 423 C MET A 26 -5.697 -1.213 -1.479 1.00 0.00 C ATOM 424 O MET A 26 -5.399 -1.547 -2.633 1.00 0.00 O ATOM 425 CB MET A 26 -7.411 0.735 -1.380 1.00 0.00 C ATOM 426 CG MET A 26 -6.969 1.655 -0.230 1.00 0.00 C ATOM 427 SD MET A 26 -5.196 1.648 0.057 1.00 0.00 S ATOM 428 CE MET A 26 -4.622 2.266 -1.510 1.00 0.00 C ATOM 0 H MET A 26 -6.899 -0.813 0.928 1.00 0.00 H new ATOM 0 HA MET A 26 -7.764 -1.332 -1.867 1.00 0.00 H new ATOM 0 HB2 MET A 26 -6.896 1.045 -2.290 1.00 0.00 H new ATOM 0 HB3 MET A 26 -8.477 0.882 -1.551 1.00 0.00 H new ATOM 0 HG2 MET A 26 -7.289 2.674 -0.448 1.00 0.00 H new ATOM 0 HG3 MET A 26 -7.478 1.349 0.684 1.00 0.00 H new ATOM 0 HE1 MET A 26 -3.569 2.015 -1.636 1.00 0.00 H new ATOM 0 HE2 MET A 26 -5.202 1.813 -2.314 1.00 0.00 H new ATOM 0 HE3 MET A 26 -4.743 3.349 -1.541 1.00 0.00 H new ATOM 438 N PHE A 27 -4.794 -1.205 -0.470 1.00 0.00 N ATOM 439 CA PHE A 27 -3.451 -1.822 -0.603 1.00 0.00 C ATOM 440 C PHE A 27 -3.028 -2.459 0.726 1.00 0.00 C ATOM 441 O PHE A 27 -3.524 -2.081 1.790 1.00 0.00 O ATOM 442 CB PHE A 27 -2.372 -0.815 -1.143 1.00 0.00 C ATOM 443 CG PHE A 27 -1.535 -0.039 -0.116 1.00 0.00 C ATOM 444 CD1 PHE A 27 -0.354 -0.571 0.412 1.00 0.00 C ATOM 445 CD2 PHE A 27 -1.916 1.226 0.294 1.00 0.00 C ATOM 446 CE1 PHE A 27 0.393 0.155 1.319 1.00 0.00 C ATOM 447 CE2 PHE A 27 -1.180 1.949 1.184 1.00 0.00 C ATOM 448 CZ PHE A 27 -0.023 1.422 1.705 1.00 0.00 C ATOM 0 H PHE A 27 -4.969 -0.781 0.441 1.00 0.00 H new ATOM 0 HA PHE A 27 -3.521 -2.608 -1.355 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -1.686 -1.371 -1.782 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -2.880 -0.089 -1.777 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -0.025 -1.554 0.109 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -2.825 1.654 -0.103 1.00 0.00 H new ATOM 0 HE1 PHE A 27 1.301 -0.263 1.728 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -1.506 2.935 1.480 1.00 0.00 H new ATOM 0 HZ PHE A 27 0.561 1.992 2.413 1.00 0.00 H new ATOM 458 N SER A 28 -2.079 -3.405 0.621 1.00 0.00 N ATOM 459 CA SER A 28 -1.598 -4.219 1.753 1.00 0.00 C ATOM 460 C SER A 28 -0.258 -4.898 1.414 1.00 0.00 C ATOM 461 O SER A 28 0.366 -4.599 0.392 1.00 0.00 O ATOM 462 CB SER A 28 -2.670 -5.293 2.101 1.00 0.00 C ATOM 463 OG SER A 28 -2.371 -5.989 3.305 1.00 0.00 O ATOM 0 H SER A 28 -1.619 -3.629 -0.261 1.00 0.00 H new ATOM 0 HA SER A 28 -1.435 -3.568 2.612 1.00 0.00 H new ATOM 0 HB2 SER A 28 -3.644 -4.813 2.195 1.00 0.00 H new ATOM 0 HB3 SER A 28 -2.744 -6.007 1.281 1.00 0.00 H new ATOM 0 HG SER A 28 -3.072 -6.651 3.483 1.00 0.00 H new ATOM 469 N SER A 29 0.227 -5.714 2.364 1.00 0.00 N ATOM 470 CA SER A 29 1.041 -6.927 2.091 1.00 0.00 C ATOM 471 C SER A 29 2.561 -6.709 2.091 1.00 0.00 C ATOM 472 O SER A 29 3.300 -7.674 2.312 1.00 0.00 O ATOM 473 CB SER A 29 0.567 -7.683 0.814 1.00 0.00 C ATOM 474 OG SER A 29 -0.802 -8.057 0.939 1.00 0.00 O ATOM 0 H SER A 29 0.067 -5.554 3.359 1.00 0.00 H new ATOM 0 HA SER A 29 0.854 -7.568 2.953 1.00 0.00 H new ATOM 0 HB2 SER A 29 0.699 -7.048 -0.062 1.00 0.00 H new ATOM 0 HB3 SER A 29 1.181 -8.571 0.660 1.00 0.00 H new ATOM 0 HG SER A 29 -1.087 -8.530 0.129 1.00 0.00 H new ATOM 480 N GLU A 30 3.043 -5.477 1.861 1.00 0.00 N ATOM 481 CA GLU A 30 4.493 -5.192 1.929 1.00 0.00 C ATOM 482 C GLU A 30 4.991 -5.089 3.387 1.00 0.00 C ATOM 483 O GLU A 30 5.413 -6.093 3.967 1.00 0.00 O ATOM 484 CB GLU A 30 4.869 -3.935 1.090 1.00 0.00 C ATOM 485 CG GLU A 30 5.090 -4.223 -0.400 1.00 0.00 C ATOM 486 CD GLU A 30 6.312 -5.116 -0.694 1.00 0.00 C ATOM 487 OE1 GLU A 30 7.458 -4.634 -0.552 1.00 0.00 O ATOM 488 OE2 GLU A 30 6.136 -6.297 -1.068 1.00 0.00 O ATOM 0 H GLU A 30 2.463 -4.670 1.629 1.00 0.00 H new ATOM 0 HA GLU A 30 5.011 -6.040 1.481 1.00 0.00 H new ATOM 0 HB2 GLU A 30 4.078 -3.192 1.193 1.00 0.00 H new ATOM 0 HB3 GLU A 30 5.776 -3.493 1.503 1.00 0.00 H new ATOM 0 HG2 GLU A 30 4.198 -4.703 -0.803 1.00 0.00 H new ATOM 0 HG3 GLU A 30 5.209 -3.277 -0.928 1.00 0.00 H new ATOM 495 N GLY A 31 4.925 -3.878 3.980 1.00 0.00 N ATOM 496 CA GLY A 31 5.539 -3.613 5.296 1.00 0.00 C ATOM 497 C GLY A 31 7.030 -3.311 5.224 1.00 0.00 C ATOM 498 O GLY A 31 7.667 -3.100 6.264 1.00 0.00 O ATOM 0 H GLY A 31 4.454 -3.072 3.569 1.00 0.00 H new ATOM 0 HA2 GLY A 31 5.028 -2.771 5.763 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.383 -4.478 5.941 1.00 0.00 H new ATOM 502 N TYR A 32 7.568 -3.314 3.983 1.00 0.00 N ATOM 503 CA TYR A 32 8.953 -2.943 3.640 1.00 0.00 C ATOM 504 C TYR A 32 9.971 -4.031 4.082 1.00 0.00 C ATOM 505 O TYR A 32 10.602 -4.661 3.229 1.00 0.00 O ATOM 506 CB TYR A 32 9.307 -1.522 4.175 1.00 0.00 C ATOM 507 CG TYR A 32 10.459 -0.803 3.452 1.00 0.00 C ATOM 508 CD1 TYR A 32 10.657 -0.958 2.074 1.00 0.00 C ATOM 509 CD2 TYR A 32 11.322 0.060 4.136 1.00 0.00 C ATOM 510 CE1 TYR A 32 11.671 -0.291 1.418 1.00 0.00 C ATOM 511 CE2 TYR A 32 12.330 0.732 3.476 1.00 0.00 C ATOM 512 CZ TYR A 32 12.500 0.555 2.120 1.00 0.00 C ATOM 513 OH TYR A 32 13.497 1.241 1.459 1.00 0.00 O ATOM 0 H TYR A 32 7.025 -3.586 3.164 1.00 0.00 H new ATOM 0 HA TYR A 32 9.025 -2.892 2.554 1.00 0.00 H new ATOM 0 HB2 TYR A 32 8.416 -0.897 4.110 1.00 0.00 H new ATOM 0 HB3 TYR A 32 9.562 -1.605 5.232 1.00 0.00 H new ATOM 0 HD1 TYR A 32 10.004 -1.612 1.515 1.00 0.00 H new ATOM 0 HD2 TYR A 32 11.197 0.203 5.199 1.00 0.00 H new ATOM 0 HE1 TYR A 32 11.814 -0.432 0.357 1.00 0.00 H new ATOM 0 HE2 TYR A 32 12.985 1.396 4.021 1.00 0.00 H new ATOM 0 HH TYR A 32 13.130 1.651 0.648 1.00 0.00 H new ATOM 523 N LYS A 33 10.118 -4.261 5.403 1.00 0.00 N ATOM 524 CA LYS A 33 11.026 -5.309 5.939 1.00 0.00 C ATOM 525 C LYS A 33 10.533 -5.809 7.312 1.00 0.00 C ATOM 526 O LYS A 33 10.296 -7.006 7.504 1.00 0.00 O ATOM 527 CB LYS A 33 12.485 -4.769 6.046 1.00 0.00 C ATOM 528 CG LYS A 33 13.535 -5.808 6.523 1.00 0.00 C ATOM 529 CD LYS A 33 13.652 -7.017 5.567 1.00 0.00 C ATOM 530 CE LYS A 33 14.640 -8.088 6.064 1.00 0.00 C ATOM 531 NZ LYS A 33 14.645 -9.290 5.183 1.00 0.00 N ATOM 0 H LYS A 33 9.621 -3.737 6.123 1.00 0.00 H new ATOM 0 HA LYS A 33 11.020 -6.151 5.246 1.00 0.00 H new ATOM 0 HB2 LYS A 33 12.789 -4.390 5.070 1.00 0.00 H new ATOM 0 HB3 LYS A 33 12.494 -3.923 6.734 1.00 0.00 H new ATOM 0 HG2 LYS A 33 14.507 -5.323 6.610 1.00 0.00 H new ATOM 0 HG3 LYS A 33 13.265 -6.161 7.518 1.00 0.00 H new ATOM 0 HD2 LYS A 33 12.668 -7.469 5.441 1.00 0.00 H new ATOM 0 HD3 LYS A 33 13.969 -6.666 4.585 1.00 0.00 H new ATOM 0 HE2 LYS A 33 15.644 -7.665 6.106 1.00 0.00 H new ATOM 0 HE3 LYS A 33 14.375 -8.383 7.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 15.323 -9.988 5.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 13.693 -9.709 5.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 14.922 -9.013 4.220 1.00 0.00 H new ATOM 545 N ALA A 34 10.371 -4.870 8.253 1.00 0.00 N ATOM 546 CA ALA A 34 10.008 -5.154 9.658 1.00 0.00 C ATOM 547 C ALA A 34 9.028 -4.080 10.140 1.00 0.00 C ATOM 548 O ALA A 34 8.603 -3.253 9.332 1.00 0.00 O ATOM 549 CB ALA A 34 11.273 -5.182 10.529 1.00 0.00 C ATOM 0 H ALA A 34 10.489 -3.875 8.062 1.00 0.00 H new ATOM 0 HA ALA A 34 9.529 -6.130 9.734 1.00 0.00 H new ATOM 0 HB1 ALA A 34 10.998 -5.392 11.563 1.00 0.00 H new ATOM 0 HB2 ALA A 34 11.946 -5.959 10.168 1.00 0.00 H new ATOM 0 HB3 ALA A 34 11.773 -4.215 10.475 1.00 0.00 H new ATOM 555 N LYS A 35 8.656 -4.078 11.442 1.00 0.00 N ATOM 556 CA LYS A 35 7.751 -3.065 12.014 1.00 0.00 C ATOM 557 C LYS A 35 8.378 -1.667 11.920 1.00 0.00 C ATOM 558 O LYS A 35 7.724 -0.719 11.492 1.00 0.00 O ATOM 559 CB LYS A 35 7.443 -3.437 13.490 1.00 0.00 C ATOM 560 CG LYS A 35 6.684 -2.361 14.297 1.00 0.00 C ATOM 561 CD LYS A 35 6.511 -2.766 15.774 1.00 0.00 C ATOM 562 CE LYS A 35 6.076 -1.597 16.673 1.00 0.00 C ATOM 563 NZ LYS A 35 4.800 -0.992 16.243 1.00 0.00 N ATOM 0 H LYS A 35 8.974 -4.774 12.116 1.00 0.00 H new ATOM 0 HA LYS A 35 6.820 -3.047 11.448 1.00 0.00 H new ATOM 0 HB2 LYS A 35 6.858 -4.356 13.501 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.384 -3.652 13.997 1.00 0.00 H new ATOM 0 HG2 LYS A 35 7.225 -1.416 14.241 1.00 0.00 H new ATOM 0 HG3 LYS A 35 5.704 -2.195 13.849 1.00 0.00 H new ATOM 0 HD2 LYS A 35 5.771 -3.563 15.842 1.00 0.00 H new ATOM 0 HD3 LYS A 35 7.452 -3.172 16.146 1.00 0.00 H new ATOM 0 HE2 LYS A 35 5.978 -1.950 17.700 1.00 0.00 H new ATOM 0 HE3 LYS A 35 6.854 -0.834 16.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 4.972 -0.025 15.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 4.387 -1.561 15.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 4.141 -0.963 17.047 1.00 0.00 H new ATOM 577 N ALA A 36 9.663 -1.571 12.300 1.00 0.00 N ATOM 578 CA ALA A 36 10.446 -0.325 12.195 1.00 0.00 C ATOM 579 C ALA A 36 10.386 0.249 10.761 1.00 0.00 C ATOM 580 O ALA A 36 10.064 1.424 10.558 1.00 0.00 O ATOM 581 CB ALA A 36 11.905 -0.582 12.623 1.00 0.00 C ATOM 0 H ALA A 36 10.189 -2.354 12.689 1.00 0.00 H new ATOM 0 HA ALA A 36 10.010 0.416 12.865 1.00 0.00 H new ATOM 0 HB1 ALA A 36 12.476 0.343 12.542 1.00 0.00 H new ATOM 0 HB2 ALA A 36 11.925 -0.932 13.655 1.00 0.00 H new ATOM 0 HB3 ALA A 36 12.347 -1.339 11.974 1.00 0.00 H new ATOM 587 N SER A 37 10.615 -0.642 9.778 1.00 0.00 N ATOM 588 CA SER A 37 10.620 -0.297 8.347 1.00 0.00 C ATOM 589 C SER A 37 9.200 0.008 7.838 1.00 0.00 C ATOM 590 O SER A 37 9.036 0.764 6.877 1.00 0.00 O ATOM 591 CB SER A 37 11.220 -1.460 7.536 1.00 0.00 C ATOM 592 OG SER A 37 12.448 -1.903 8.087 1.00 0.00 O ATOM 0 H SER A 37 10.803 -1.628 9.958 1.00 0.00 H new ATOM 0 HA SER A 37 11.227 0.599 8.217 1.00 0.00 H new ATOM 0 HB2 SER A 37 10.513 -2.289 7.510 1.00 0.00 H new ATOM 0 HB3 SER A 37 11.377 -1.142 6.505 1.00 0.00 H new ATOM 0 HG SER A 37 13.129 -1.938 7.383 1.00 0.00 H new ATOM 598 N ALA A 38 8.186 -0.597 8.500 1.00 0.00 N ATOM 599 CA ALA A 38 6.769 -0.421 8.157 1.00 0.00 C ATOM 600 C ALA A 38 6.341 1.035 8.397 1.00 0.00 C ATOM 601 O ALA A 38 5.837 1.683 7.484 1.00 0.00 O ATOM 602 CB ALA A 38 5.877 -1.404 8.952 1.00 0.00 C ATOM 0 H ALA A 38 8.337 -1.223 9.291 1.00 0.00 H new ATOM 0 HA ALA A 38 6.640 -0.646 7.098 1.00 0.00 H new ATOM 0 HB1 ALA A 38 4.833 -1.251 8.678 1.00 0.00 H new ATOM 0 HB2 ALA A 38 6.167 -2.428 8.719 1.00 0.00 H new ATOM 0 HB3 ALA A 38 6.001 -1.226 10.020 1.00 0.00 H new ATOM 608 N ILE A 39 6.562 1.534 9.637 1.00 0.00 N ATOM 609 CA ILE A 39 6.299 2.944 10.006 1.00 0.00 C ATOM 610 C ILE A 39 7.057 3.913 9.081 1.00 0.00 C ATOM 611 O ILE A 39 6.458 4.859 8.577 1.00 0.00 O ATOM 612 CB ILE A 39 6.654 3.263 11.527 1.00 0.00 C ATOM 613 CG1 ILE A 39 5.622 2.622 12.518 1.00 0.00 C ATOM 614 CG2 ILE A 39 6.748 4.794 11.802 1.00 0.00 C ATOM 615 CD1 ILE A 39 5.669 1.117 12.638 1.00 0.00 C ATOM 0 H ILE A 39 6.926 0.972 10.406 1.00 0.00 H new ATOM 0 HA ILE A 39 5.226 3.091 9.881 1.00 0.00 H new ATOM 0 HB ILE A 39 7.633 2.817 11.701 1.00 0.00 H new ATOM 0 HG12 ILE A 39 5.783 3.051 13.507 1.00 0.00 H new ATOM 0 HG13 ILE A 39 4.619 2.911 12.204 1.00 0.00 H new ATOM 0 HG21 ILE A 39 6.992 4.961 12.851 1.00 0.00 H new ATOM 0 HG22 ILE A 39 7.526 5.229 11.175 1.00 0.00 H new ATOM 0 HG23 ILE A 39 5.792 5.264 11.572 1.00 0.00 H new ATOM 0 HD11 ILE A 39 4.913 0.785 13.349 1.00 0.00 H new ATOM 0 HD12 ILE A 39 5.473 0.668 11.664 1.00 0.00 H new ATOM 0 HD13 ILE A 39 6.655 0.810 12.987 1.00 0.00 H new ATOM 627 N HIS A 40 8.367 3.659 8.861 1.00 0.00 N ATOM 628 CA HIS A 40 9.221 4.515 7.995 1.00 0.00 C ATOM 629 C HIS A 40 8.625 4.654 6.585 1.00 0.00 C ATOM 630 O HIS A 40 8.552 5.772 6.029 1.00 0.00 O ATOM 631 CB HIS A 40 10.681 3.987 7.933 1.00 0.00 C ATOM 632 CG HIS A 40 11.532 4.418 9.101 1.00 0.00 C ATOM 633 ND1 HIS A 40 11.466 4.101 10.415 1.00 0.00 N flip ATOM 634 CD2 HIS A 40 12.617 5.262 8.972 1.00 0.00 C flip ATOM 635 CE1 HIS A 40 12.491 4.753 11.043 1.00 0.00 C flip ATOM 636 NE2 HIS A 40 13.172 5.444 10.154 1.00 0.00 N flip ATOM 0 H HIS A 40 8.860 2.866 9.271 1.00 0.00 H new ATOM 0 HA HIS A 40 9.248 5.507 8.446 1.00 0.00 H new ATOM 0 HB2 HIS A 40 10.663 2.898 7.891 1.00 0.00 H new ATOM 0 HB3 HIS A 40 11.145 4.334 7.010 1.00 0.00 H new ATOM 0 HD1 HIS A 40 10.779 3.489 10.855 1.00 0.00 H new ATOM 0 HD2 HIS A 40 12.958 5.704 8.047 1.00 0.00 H new ATOM 0 HE1 HIS A 40 12.707 4.708 12.100 1.00 0.00 H new ATOM 645 N ALA A 41 8.165 3.526 6.033 1.00 0.00 N ATOM 646 CA ALA A 41 7.453 3.499 4.760 1.00 0.00 C ATOM 647 C ALA A 41 6.211 4.407 4.829 1.00 0.00 C ATOM 648 O ALA A 41 6.093 5.351 4.053 1.00 0.00 O ATOM 649 CB ALA A 41 7.094 2.047 4.390 1.00 0.00 C ATOM 0 H ALA A 41 8.278 2.607 6.461 1.00 0.00 H new ATOM 0 HA ALA A 41 8.096 3.889 3.971 1.00 0.00 H new ATOM 0 HB1 ALA A 41 6.563 2.035 3.438 1.00 0.00 H new ATOM 0 HB2 ALA A 41 8.007 1.457 4.304 1.00 0.00 H new ATOM 0 HB3 ALA A 41 6.458 1.620 5.166 1.00 0.00 H new ATOM 655 N ILE A 42 5.345 4.174 5.823 1.00 0.00 N ATOM 656 CA ILE A 42 4.123 4.982 6.039 1.00 0.00 C ATOM 657 C ILE A 42 4.446 6.484 6.198 1.00 0.00 C ATOM 658 O ILE A 42 3.647 7.336 5.803 1.00 0.00 O ATOM 659 CB ILE A 42 3.347 4.476 7.303 1.00 0.00 C ATOM 660 CG1 ILE A 42 2.959 2.982 7.125 1.00 0.00 C ATOM 661 CG2 ILE A 42 2.093 5.338 7.582 1.00 0.00 C ATOM 662 CD1 ILE A 42 2.527 2.291 8.391 1.00 0.00 C ATOM 0 H ILE A 42 5.465 3.423 6.503 1.00 0.00 H new ATOM 0 HA ILE A 42 3.498 4.862 5.154 1.00 0.00 H new ATOM 0 HB ILE A 42 4.006 4.571 8.166 1.00 0.00 H new ATOM 0 HG12 ILE A 42 2.151 2.914 6.396 1.00 0.00 H new ATOM 0 HG13 ILE A 42 3.811 2.446 6.707 1.00 0.00 H new ATOM 0 HG21 ILE A 42 1.580 4.958 8.465 1.00 0.00 H new ATOM 0 HG22 ILE A 42 2.393 6.372 7.753 1.00 0.00 H new ATOM 0 HG23 ILE A 42 1.422 5.292 6.724 1.00 0.00 H new ATOM 0 HD11 ILE A 42 2.275 1.253 8.172 1.00 0.00 H new ATOM 0 HD12 ILE A 42 3.339 2.322 9.118 1.00 0.00 H new ATOM 0 HD13 ILE A 42 1.653 2.797 8.802 1.00 0.00 H new ATOM 674 N GLU A 43 5.638 6.792 6.732 1.00 0.00 N ATOM 675 CA GLU A 43 6.068 8.180 6.950 1.00 0.00 C ATOM 676 C GLU A 43 6.210 8.918 5.617 1.00 0.00 C ATOM 677 O GLU A 43 5.909 10.111 5.555 1.00 0.00 O ATOM 678 CB GLU A 43 7.377 8.272 7.774 1.00 0.00 C ATOM 679 CG GLU A 43 7.215 7.879 9.258 1.00 0.00 C ATOM 680 CD GLU A 43 8.505 8.047 10.072 1.00 0.00 C ATOM 681 OE1 GLU A 43 8.737 9.154 10.608 1.00 0.00 O ATOM 682 OE2 GLU A 43 9.296 7.083 10.173 1.00 0.00 O ATOM 0 H GLU A 43 6.323 6.094 7.022 1.00 0.00 H new ATOM 0 HA GLU A 43 5.290 8.666 7.538 1.00 0.00 H new ATOM 0 HB2 GLU A 43 8.127 7.626 7.318 1.00 0.00 H new ATOM 0 HB3 GLU A 43 7.758 9.292 7.719 1.00 0.00 H new ATOM 0 HG2 GLU A 43 6.429 8.488 9.705 1.00 0.00 H new ATOM 0 HG3 GLU A 43 6.887 6.841 9.319 1.00 0.00 H new ATOM 689 N SER A 44 6.618 8.187 4.542 1.00 0.00 N ATOM 690 CA SER A 44 6.587 8.724 3.154 1.00 0.00 C ATOM 691 C SER A 44 5.199 9.256 2.790 1.00 0.00 C ATOM 692 O SER A 44 5.073 10.321 2.159 1.00 0.00 O ATOM 693 CB SER A 44 6.975 7.639 2.121 1.00 0.00 C ATOM 694 OG SER A 44 8.381 7.446 2.069 1.00 0.00 O ATOM 0 H SER A 44 6.969 7.232 4.610 1.00 0.00 H new ATOM 0 HA SER A 44 7.311 9.538 3.123 1.00 0.00 H new ATOM 0 HB2 SER A 44 6.487 6.699 2.379 1.00 0.00 H new ATOM 0 HB3 SER A 44 6.610 7.927 1.135 1.00 0.00 H new ATOM 0 HG SER A 44 8.679 7.464 1.136 1.00 0.00 H new ATOM 700 N ILE A 45 4.163 8.505 3.208 1.00 0.00 N ATOM 701 CA ILE A 45 2.788 8.813 2.842 1.00 0.00 C ATOM 702 C ILE A 45 2.355 10.108 3.547 1.00 0.00 C ATOM 703 O ILE A 45 1.781 11.012 2.928 1.00 0.00 O ATOM 704 CB ILE A 45 1.752 7.656 3.173 1.00 0.00 C ATOM 705 CG1 ILE A 45 2.354 6.224 2.989 1.00 0.00 C ATOM 706 CG2 ILE A 45 0.531 7.810 2.259 1.00 0.00 C ATOM 707 CD1 ILE A 45 2.581 5.801 1.557 1.00 0.00 C ATOM 0 H ILE A 45 4.264 7.681 3.800 1.00 0.00 H new ATOM 0 HA ILE A 45 2.776 8.928 1.758 1.00 0.00 H new ATOM 0 HB ILE A 45 1.478 7.754 4.223 1.00 0.00 H new ATOM 0 HG12 ILE A 45 3.305 6.176 3.520 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.687 5.503 3.463 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -0.188 7.021 2.477 1.00 0.00 H new ATOM 0 HG22 ILE A 45 0.067 8.781 2.432 1.00 0.00 H new ATOM 0 HG23 ILE A 45 0.845 7.738 1.218 1.00 0.00 H new ATOM 0 HD11 ILE A 45 3.000 4.795 1.537 1.00 0.00 H new ATOM 0 HD12 ILE A 45 1.632 5.810 1.020 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.275 6.493 1.079 1.00 0.00 H new ATOM 719 N LYS A 46 2.678 10.180 4.850 1.00 0.00 N ATOM 720 CA LYS A 46 2.298 11.304 5.739 1.00 0.00 C ATOM 721 C LYS A 46 2.893 12.649 5.295 1.00 0.00 C ATOM 722 O LYS A 46 2.354 13.709 5.628 1.00 0.00 O ATOM 723 CB LYS A 46 2.712 11.012 7.228 1.00 0.00 C ATOM 724 CG LYS A 46 2.483 9.560 7.733 1.00 0.00 C ATOM 725 CD LYS A 46 1.118 8.966 7.312 1.00 0.00 C ATOM 726 CE LYS A 46 -0.072 9.714 7.906 1.00 0.00 C ATOM 727 NZ LYS A 46 -0.269 9.378 9.333 1.00 0.00 N ATOM 0 H LYS A 46 3.215 9.455 5.325 1.00 0.00 H new ATOM 0 HA LYS A 46 1.213 11.386 5.670 1.00 0.00 H new ATOM 0 HB2 LYS A 46 3.769 11.252 7.343 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.159 11.691 7.877 1.00 0.00 H new ATOM 0 HG2 LYS A 46 3.280 8.922 7.352 1.00 0.00 H new ATOM 0 HG3 LYS A 46 2.556 9.547 8.820 1.00 0.00 H new ATOM 0 HD2 LYS A 46 1.042 8.981 6.225 1.00 0.00 H new ATOM 0 HD3 LYS A 46 1.073 7.921 7.620 1.00 0.00 H new ATOM 0 HE2 LYS A 46 0.084 10.788 7.803 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -0.974 9.468 7.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -1.256 9.567 9.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -0.056 8.372 9.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 0.366 9.959 9.917 1.00 0.00 H new ATOM 741 N ARG A 47 4.010 12.581 4.560 1.00 0.00 N ATOM 742 CA ARG A 47 4.745 13.784 4.095 1.00 0.00 C ATOM 743 C ARG A 47 3.905 14.616 3.092 1.00 0.00 C ATOM 744 O ARG A 47 3.608 15.789 3.346 1.00 0.00 O ATOM 745 CB ARG A 47 6.114 13.427 3.434 1.00 0.00 C ATOM 746 CG ARG A 47 7.119 12.652 4.307 1.00 0.00 C ATOM 747 CD ARG A 47 7.561 13.399 5.577 1.00 0.00 C ATOM 748 NE ARG A 47 8.366 12.524 6.463 1.00 0.00 N ATOM 749 CZ ARG A 47 8.054 12.194 7.735 1.00 0.00 C ATOM 750 NH1 ARG A 47 6.967 12.695 8.312 1.00 0.00 N ATOM 751 NH2 ARG A 47 8.826 11.355 8.414 1.00 0.00 N ATOM 0 H ARG A 47 4.435 11.701 4.268 1.00 0.00 H new ATOM 0 HA ARG A 47 4.934 14.378 4.989 1.00 0.00 H new ATOM 0 HB2 ARG A 47 5.917 12.839 2.538 1.00 0.00 H new ATOM 0 HB3 ARG A 47 6.588 14.353 3.110 1.00 0.00 H new ATOM 0 HG2 ARG A 47 6.673 11.700 4.596 1.00 0.00 H new ATOM 0 HG3 ARG A 47 8.001 12.423 3.709 1.00 0.00 H new ATOM 0 HD2 ARG A 47 8.145 14.277 5.301 1.00 0.00 H new ATOM 0 HD3 ARG A 47 6.683 13.757 6.115 1.00 0.00 H new ATOM 0 HE ARG A 47 9.229 12.138 6.079 1.00 0.00 H new ATOM 0 HH11 ARG A 47 6.363 13.333 7.794 1.00 0.00 H new ATOM 0 HH12 ARG A 47 6.737 12.442 9.273 1.00 0.00 H new ATOM 0 HH21 ARG A 47 9.657 10.958 7.975 1.00 0.00 H new ATOM 0 HH22 ARG A 47 8.589 11.107 9.375 1.00 0.00 H new ATOM 765 N ASN A 48 3.493 13.973 1.977 1.00 0.00 N ATOM 766 CA ASN A 48 2.947 14.702 0.792 1.00 0.00 C ATOM 767 C ASN A 48 2.267 13.751 -0.229 1.00 0.00 C ATOM 768 O ASN A 48 2.013 14.139 -1.362 1.00 0.00 O ATOM 769 CB ASN A 48 4.092 15.537 0.114 1.00 0.00 C ATOM 770 CG ASN A 48 3.638 16.481 -1.011 1.00 0.00 C ATOM 771 OD1 ASN A 48 2.558 17.058 -0.955 1.00 0.00 O ATOM 772 ND2 ASN A 48 4.462 16.633 -2.043 1.00 0.00 N ATOM 0 H ASN A 48 3.524 12.960 1.865 1.00 0.00 H new ATOM 0 HA ASN A 48 2.168 15.378 1.144 1.00 0.00 H new ATOM 0 HB2 ASN A 48 4.592 16.127 0.882 1.00 0.00 H new ATOM 0 HB3 ASN A 48 4.832 14.847 -0.290 1.00 0.00 H new ATOM 0 HD21 ASN A 48 4.202 17.244 -2.818 1.00 0.00 H new ATOM 0 HD22 ASN A 48 5.354 16.139 -2.060 1.00 0.00 H new ATOM 779 N SER A 49 1.943 12.511 0.172 1.00 0.00 N ATOM 780 CA SER A 49 1.450 11.482 -0.782 1.00 0.00 C ATOM 781 C SER A 49 0.056 11.813 -1.356 1.00 0.00 C ATOM 782 O SER A 49 -0.243 11.460 -2.504 1.00 0.00 O ATOM 783 CB SER A 49 1.420 10.118 -0.115 1.00 0.00 C ATOM 784 OG SER A 49 1.174 9.079 -1.039 1.00 0.00 O ATOM 0 H SER A 49 2.010 12.191 1.138 1.00 0.00 H new ATOM 0 HA SER A 49 2.148 11.472 -1.619 1.00 0.00 H new ATOM 0 HB2 SER A 49 2.371 9.939 0.386 1.00 0.00 H new ATOM 0 HB3 SER A 49 0.648 10.108 0.654 1.00 0.00 H new ATOM 0 HG SER A 49 2.024 8.768 -1.416 1.00 0.00 H new ATOM 790 N ALA A 50 -0.791 12.469 -0.550 1.00 0.00 N ATOM 791 CA ALA A 50 -2.085 12.999 -1.020 1.00 0.00 C ATOM 792 C ALA A 50 -1.898 14.079 -2.118 1.00 0.00 C ATOM 793 O ALA A 50 -2.744 14.225 -3.014 1.00 0.00 O ATOM 794 CB ALA A 50 -2.895 13.537 0.169 1.00 0.00 C ATOM 0 H ALA A 50 -0.604 12.647 0.437 1.00 0.00 H new ATOM 0 HA ALA A 50 -2.644 12.183 -1.477 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -3.849 13.926 -0.187 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -3.075 12.731 0.881 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.337 14.335 0.658 1.00 0.00 H new ATOM 800 N GLY A 51 -0.767 14.810 -2.038 1.00 0.00 N ATOM 801 CA GLY A 51 -0.389 15.817 -3.037 1.00 0.00 C ATOM 802 C GLY A 51 0.631 15.316 -4.063 1.00 0.00 C ATOM 803 O GLY A 51 1.053 16.085 -4.940 1.00 0.00 O ATOM 0 H GLY A 51 -0.094 14.715 -1.277 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -1.285 16.149 -3.561 1.00 0.00 H new ATOM 0 HA3 GLY A 51 0.022 16.687 -2.525 1.00 0.00 H new ATOM 807 N ALA A 52 1.054 14.041 -3.933 1.00 0.00 N ATOM 808 CA ALA A 52 1.982 13.385 -4.883 1.00 0.00 C ATOM 809 C ALA A 52 1.350 13.235 -6.278 1.00 0.00 C ATOM 810 O ALA A 52 0.142 13.431 -6.450 1.00 0.00 O ATOM 811 CB ALA A 52 2.405 12.005 -4.336 1.00 0.00 C ATOM 0 H ALA A 52 0.762 13.435 -3.166 1.00 0.00 H new ATOM 0 HA ALA A 52 2.863 14.018 -4.986 1.00 0.00 H new ATOM 0 HB1 ALA A 52 3.087 11.528 -5.040 1.00 0.00 H new ATOM 0 HB2 ALA A 52 2.904 12.132 -3.376 1.00 0.00 H new ATOM 0 HB3 ALA A 52 1.522 11.379 -4.206 1.00 0.00 H new ATOM 817 N ASP A 53 2.180 12.892 -7.272 1.00 0.00 N ATOM 818 CA ASP A 53 1.714 12.616 -8.643 1.00 0.00 C ATOM 819 C ASP A 53 1.350 11.123 -8.779 1.00 0.00 C ATOM 820 O ASP A 53 1.794 10.286 -7.983 1.00 0.00 O ATOM 821 CB ASP A 53 2.810 13.040 -9.661 1.00 0.00 C ATOM 822 CG ASP A 53 2.408 12.828 -11.134 1.00 0.00 C ATOM 823 OD1 ASP A 53 1.582 13.615 -11.652 1.00 0.00 O ATOM 824 OD2 ASP A 53 2.904 11.873 -11.777 1.00 0.00 O ATOM 0 H ASP A 53 3.189 12.798 -7.153 1.00 0.00 H new ATOM 0 HA ASP A 53 0.817 13.196 -8.857 1.00 0.00 H new ATOM 0 HB2 ASP A 53 3.048 14.093 -9.507 1.00 0.00 H new ATOM 0 HB3 ASP A 53 3.720 12.475 -9.458 1.00 0.00 H new ATOM 829 N THR A 54 0.489 10.803 -9.747 1.00 0.00 N ATOM 830 CA THR A 54 0.136 9.419 -10.088 1.00 0.00 C ATOM 831 C THR A 54 0.393 9.191 -11.593 1.00 0.00 C ATOM 832 O THR A 54 -0.235 9.828 -12.442 1.00 0.00 O ATOM 833 CB THR A 54 -1.348 9.132 -9.694 1.00 0.00 C ATOM 834 OG1 THR A 54 -1.530 9.447 -8.296 1.00 0.00 O ATOM 835 CG2 THR A 54 -1.760 7.668 -9.936 1.00 0.00 C ATOM 0 H THR A 54 0.013 11.499 -10.321 1.00 0.00 H new ATOM 0 HA THR A 54 0.757 8.720 -9.527 1.00 0.00 H new ATOM 0 HB THR A 54 -1.980 9.755 -10.328 1.00 0.00 H new ATOM 0 HG1 THR A 54 -2.487 9.457 -8.085 1.00 0.00 H new ATOM 0 HG21 THR A 54 -2.801 7.530 -9.644 1.00 0.00 H new ATOM 0 HG22 THR A 54 -1.645 7.428 -10.993 1.00 0.00 H new ATOM 0 HG23 THR A 54 -1.126 7.009 -9.343 1.00 0.00 H new ATOM 843 N VAL A 55 1.336 8.283 -11.893 1.00 0.00 N ATOM 844 CA VAL A 55 1.865 8.054 -13.257 1.00 0.00 C ATOM 845 C VAL A 55 1.867 6.553 -13.603 1.00 0.00 C ATOM 846 O VAL A 55 2.233 5.715 -12.767 1.00 0.00 O ATOM 847 CB VAL A 55 3.316 8.665 -13.410 1.00 0.00 C ATOM 848 CG1 VAL A 55 4.297 8.095 -12.356 1.00 0.00 C ATOM 849 CG2 VAL A 55 3.875 8.496 -14.854 1.00 0.00 C ATOM 0 H VAL A 55 1.761 7.678 -11.190 1.00 0.00 H new ATOM 0 HA VAL A 55 1.206 8.563 -13.961 1.00 0.00 H new ATOM 0 HB VAL A 55 3.223 9.735 -13.224 1.00 0.00 H new ATOM 0 HG11 VAL A 55 5.282 8.541 -12.497 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.932 8.329 -11.356 1.00 0.00 H new ATOM 0 HG13 VAL A 55 4.368 7.014 -12.473 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.873 8.930 -14.911 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.926 7.436 -15.103 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.218 9.003 -15.560 1.00 0.00 H new ATOM 859 N ASP A 56 1.435 6.230 -14.837 1.00 0.00 N ATOM 860 CA ASP A 56 1.429 4.856 -15.375 1.00 0.00 C ATOM 861 C ASP A 56 2.642 4.654 -16.297 1.00 0.00 C ATOM 862 O ASP A 56 2.757 5.300 -17.341 1.00 0.00 O ATOM 863 CB ASP A 56 0.135 4.562 -16.177 1.00 0.00 C ATOM 864 CG ASP A 56 -1.140 4.640 -15.341 1.00 0.00 C ATOM 865 OD1 ASP A 56 -1.694 5.748 -15.188 1.00 0.00 O ATOM 866 OD2 ASP A 56 -1.610 3.595 -14.855 1.00 0.00 O ATOM 0 H ASP A 56 1.077 6.922 -15.495 1.00 0.00 H new ATOM 0 HA ASP A 56 1.475 4.170 -14.529 1.00 0.00 H new ATOM 0 HB2 ASP A 56 0.061 5.271 -17.002 1.00 0.00 H new ATOM 0 HB3 ASP A 56 0.210 3.567 -16.617 1.00 0.00 H new ATOM 871 N LEU A 57 3.547 3.777 -15.872 1.00 0.00 N ATOM 872 CA LEU A 57 4.705 3.328 -16.658 1.00 0.00 C ATOM 873 C LEU A 57 4.290 2.262 -17.689 1.00 0.00 C ATOM 874 O LEU A 57 4.978 2.073 -18.684 1.00 0.00 O ATOM 875 CB LEU A 57 5.807 2.770 -15.705 1.00 0.00 C ATOM 876 CG LEU A 57 6.572 3.805 -14.809 1.00 0.00 C ATOM 877 CD1 LEU A 57 7.414 4.759 -15.660 1.00 0.00 C ATOM 878 CD2 LEU A 57 5.624 4.603 -13.892 1.00 0.00 C ATOM 0 H LEU A 57 3.499 3.345 -14.949 1.00 0.00 H new ATOM 0 HA LEU A 57 5.107 4.181 -17.204 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.344 2.033 -15.049 1.00 0.00 H new ATOM 0 HB3 LEU A 57 6.542 2.241 -16.312 1.00 0.00 H new ATOM 0 HG LEU A 57 7.237 3.226 -14.168 1.00 0.00 H new ATOM 0 HD11 LEU A 57 7.932 5.465 -15.011 1.00 0.00 H new ATOM 0 HD12 LEU A 57 8.145 4.187 -16.232 1.00 0.00 H new ATOM 0 HD13 LEU A 57 6.765 5.305 -16.344 1.00 0.00 H new ATOM 0 HD21 LEU A 57 6.203 5.305 -13.293 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.905 5.152 -14.501 1.00 0.00 H new ATOM 0 HD23 LEU A 57 5.092 3.917 -13.233 1.00 0.00 H new ATOM 890 N THR A 58 3.110 1.646 -17.473 1.00 0.00 N ATOM 891 CA THR A 58 2.609 0.521 -18.285 1.00 0.00 C ATOM 892 C THR A 58 1.774 1.017 -19.497 1.00 0.00 C ATOM 893 O THR A 58 1.123 0.226 -20.187 1.00 0.00 O ATOM 894 CB THR A 58 1.787 -0.463 -17.381 1.00 0.00 C ATOM 895 OG1 THR A 58 1.254 -1.562 -18.140 1.00 0.00 O ATOM 896 CG2 THR A 58 0.658 0.248 -16.610 1.00 0.00 C ATOM 0 H THR A 58 2.474 1.918 -16.724 1.00 0.00 H new ATOM 0 HA THR A 58 3.464 -0.017 -18.695 1.00 0.00 H new ATOM 0 HB THR A 58 2.491 -0.857 -16.648 1.00 0.00 H new ATOM 0 HG1 THR A 58 1.192 -1.308 -19.084 1.00 0.00 H new ATOM 0 HG21 THR A 58 0.121 -0.478 -16.000 1.00 0.00 H new ATOM 0 HG22 THR A 58 1.085 1.017 -15.966 1.00 0.00 H new ATOM 0 HG23 THR A 58 -0.032 0.709 -17.317 1.00 0.00 H new ATOM 904 N THR A 59 1.827 2.332 -19.770 1.00 0.00 N ATOM 905 CA THR A 59 1.256 2.919 -20.996 1.00 0.00 C ATOM 906 C THR A 59 2.211 2.595 -22.161 1.00 0.00 C ATOM 907 O THR A 59 1.795 2.126 -23.225 1.00 0.00 O ATOM 908 CB THR A 59 1.061 4.464 -20.831 1.00 0.00 C ATOM 909 OG1 THR A 59 2.262 5.046 -20.308 1.00 0.00 O ATOM 910 CG2 THR A 59 -0.113 4.802 -19.894 1.00 0.00 C ATOM 0 H THR A 59 2.264 3.015 -19.151 1.00 0.00 H new ATOM 0 HA THR A 59 0.271 2.497 -21.198 1.00 0.00 H new ATOM 0 HB THR A 59 0.834 4.873 -21.815 1.00 0.00 H new ATOM 0 HG1 THR A 59 2.237 5.023 -19.329 1.00 0.00 H new ATOM 0 HG21 THR A 59 -0.211 5.884 -19.809 1.00 0.00 H new ATOM 0 HG22 THR A 59 -1.034 4.385 -20.300 1.00 0.00 H new ATOM 0 HG23 THR A 59 0.074 4.376 -18.908 1.00 0.00 H new ATOM 961 N MET B 1 9.118 15.705 -8.004 1.00 0.00 N ATOM 962 CA MET B 1 8.393 15.196 -6.816 1.00 0.00 C ATOM 963 C MET B 1 8.187 13.682 -6.944 1.00 0.00 C ATOM 964 O MET B 1 8.091 13.160 -8.066 1.00 0.00 O ATOM 965 CB MET B 1 7.026 15.915 -6.662 1.00 0.00 C ATOM 966 CG MET B 1 6.264 15.593 -5.365 1.00 0.00 C ATOM 967 SD MET B 1 4.631 16.374 -5.295 1.00 0.00 S ATOM 968 CE MET B 1 5.043 18.112 -5.476 1.00 0.00 C ATOM 0 H1 MET B 1 8.641 16.556 -8.363 1.00 0.00 H new ATOM 0 H2 MET B 1 10.095 15.942 -7.739 1.00 0.00 H new ATOM 0 H3 MET B 1 9.127 14.975 -8.744 1.00 0.00 H new ATOM 0 HA MET B 1 8.988 15.401 -5.926 1.00 0.00 H new ATOM 0 HB2 MET B 1 7.191 16.991 -6.711 1.00 0.00 H new ATOM 0 HB3 MET B 1 6.396 15.650 -7.511 1.00 0.00 H new ATOM 0 HG2 MET B 1 6.149 14.513 -5.276 1.00 0.00 H new ATOM 0 HG3 MET B 1 6.856 15.922 -4.511 1.00 0.00 H new ATOM 0 HE1 MET B 1 4.180 18.721 -5.205 1.00 0.00 H new ATOM 0 HE2 MET B 1 5.880 18.358 -4.822 1.00 0.00 H new ATOM 0 HE3 MET B 1 5.319 18.315 -6.511 1.00 0.00 H new ATOM 978 N TYR B 2 8.145 12.979 -5.792 1.00 0.00 N ATOM 979 CA TYR B 2 7.834 11.544 -5.749 1.00 0.00 C ATOM 980 C TYR B 2 6.378 11.272 -6.175 1.00 0.00 C ATOM 981 O TYR B 2 5.518 12.165 -6.132 1.00 0.00 O ATOM 982 CB TYR B 2 8.167 10.913 -4.368 1.00 0.00 C ATOM 983 CG TYR B 2 7.760 11.711 -3.108 1.00 0.00 C ATOM 984 CD1 TYR B 2 6.455 12.175 -2.907 1.00 0.00 C ATOM 985 CD2 TYR B 2 8.698 11.971 -2.102 1.00 0.00 C ATOM 986 CE1 TYR B 2 6.114 12.867 -1.764 1.00 0.00 C ATOM 987 CE2 TYR B 2 8.361 12.662 -0.968 1.00 0.00 C ATOM 988 CZ TYR B 2 7.072 13.105 -0.800 1.00 0.00 C ATOM 989 OH TYR B 2 6.735 13.785 0.341 1.00 0.00 O ATOM 0 H TYR B 2 8.325 13.391 -4.876 1.00 0.00 H new ATOM 0 HA TYR B 2 8.481 11.052 -6.476 1.00 0.00 H new ATOM 0 HB2 TYR B 2 7.686 9.936 -4.319 1.00 0.00 H new ATOM 0 HB3 TYR B 2 9.243 10.741 -4.326 1.00 0.00 H new ATOM 0 HD1 TYR B 2 5.703 11.988 -3.659 1.00 0.00 H new ATOM 0 HD2 TYR B 2 9.712 11.618 -2.223 1.00 0.00 H new ATOM 0 HE1 TYR B 2 5.103 13.221 -1.624 1.00 0.00 H new ATOM 0 HE2 TYR B 2 9.105 12.857 -0.210 1.00 0.00 H new ATOM 0 HH TYR B 2 7.523 13.868 0.917 1.00 0.00 H new ATOM 999 N LYS B 3 6.114 10.015 -6.548 1.00 0.00 N ATOM 1000 CA LYS B 3 4.895 9.647 -7.272 1.00 0.00 C ATOM 1001 C LYS B 3 4.592 8.146 -7.166 1.00 0.00 C ATOM 1002 O LYS B 3 5.364 7.372 -6.580 1.00 0.00 O ATOM 1003 CB LYS B 3 4.957 10.135 -8.769 1.00 0.00 C ATOM 1004 CG LYS B 3 6.321 10.048 -9.502 1.00 0.00 C ATOM 1005 CD LYS B 3 6.880 8.618 -9.651 1.00 0.00 C ATOM 1006 CE LYS B 3 8.053 8.546 -10.642 1.00 0.00 C ATOM 1007 NZ LYS B 3 9.199 9.400 -10.254 1.00 0.00 N ATOM 0 H LYS B 3 6.736 9.229 -6.357 1.00 0.00 H new ATOM 0 HA LYS B 3 4.062 10.162 -6.794 1.00 0.00 H new ATOM 0 HB2 LYS B 3 4.232 9.555 -9.341 1.00 0.00 H new ATOM 0 HB3 LYS B 3 4.628 11.174 -8.797 1.00 0.00 H new ATOM 0 HG2 LYS B 3 6.214 10.487 -10.494 1.00 0.00 H new ATOM 0 HG3 LYS B 3 7.048 10.654 -8.962 1.00 0.00 H new ATOM 0 HD2 LYS B 3 7.209 8.256 -8.677 1.00 0.00 H new ATOM 0 HD3 LYS B 3 6.084 7.953 -9.986 1.00 0.00 H new ATOM 0 HE2 LYS B 3 8.389 7.512 -10.722 1.00 0.00 H new ATOM 0 HE3 LYS B 3 7.704 8.845 -11.630 1.00 0.00 H new ATOM 0 HZ1 LYS B 3 9.963 9.295 -10.952 1.00 0.00 H new ATOM 0 HZ2 LYS B 3 8.895 10.394 -10.220 1.00 0.00 H new ATOM 0 HZ3 LYS B 3 9.545 9.112 -9.316 1.00 0.00 H new ATOM 1021 N PHE B 4 3.446 7.766 -7.756 1.00 0.00 N ATOM 1022 CA PHE B 4 2.965 6.390 -7.807 1.00 0.00 C ATOM 1023 C PHE B 4 3.279 5.808 -9.186 1.00 0.00 C ATOM 1024 O PHE B 4 2.696 6.227 -10.191 1.00 0.00 O ATOM 1025 CB PHE B 4 1.443 6.330 -7.514 1.00 0.00 C ATOM 1026 CG PHE B 4 1.083 6.686 -6.073 1.00 0.00 C ATOM 1027 CD1 PHE B 4 0.838 8.011 -5.683 1.00 0.00 C ATOM 1028 CD2 PHE B 4 1.008 5.689 -5.100 1.00 0.00 C ATOM 1029 CE1 PHE B 4 0.526 8.311 -4.375 1.00 0.00 C ATOM 1030 CE2 PHE B 4 0.691 5.996 -3.796 1.00 0.00 C ATOM 1031 CZ PHE B 4 0.457 7.304 -3.434 1.00 0.00 C ATOM 0 H PHE B 4 2.821 8.426 -8.218 1.00 0.00 H new ATOM 0 HA PHE B 4 3.468 5.799 -7.042 1.00 0.00 H new ATOM 0 HB2 PHE B 4 0.925 7.012 -8.188 1.00 0.00 H new ATOM 0 HB3 PHE B 4 1.079 5.326 -7.733 1.00 0.00 H new ATOM 0 HD1 PHE B 4 0.894 8.803 -6.415 1.00 0.00 H new ATOM 0 HD2 PHE B 4 1.201 4.662 -5.374 1.00 0.00 H new ATOM 0 HE1 PHE B 4 0.335 9.334 -4.086 1.00 0.00 H new ATOM 0 HE2 PHE B 4 0.626 5.211 -3.057 1.00 0.00 H new ATOM 0 HZ PHE B 4 0.218 7.543 -2.408 1.00 0.00 H new ATOM 1041 N GLU B 5 4.201 4.838 -9.212 1.00 0.00 N ATOM 1042 CA GLU B 5 4.640 4.192 -10.447 1.00 0.00 C ATOM 1043 C GLU B 5 3.802 2.944 -10.671 1.00 0.00 C ATOM 1044 O GLU B 5 3.994 1.931 -9.989 1.00 0.00 O ATOM 1045 CB GLU B 5 6.159 3.854 -10.424 1.00 0.00 C ATOM 1046 CG GLU B 5 7.063 5.092 -10.559 1.00 0.00 C ATOM 1047 CD GLU B 5 8.534 4.769 -10.871 1.00 0.00 C ATOM 1048 OE1 GLU B 5 8.808 4.164 -11.931 1.00 0.00 O ATOM 1049 OE2 GLU B 5 9.423 5.139 -10.081 1.00 0.00 O ATOM 0 H GLU B 5 4.662 4.481 -8.375 1.00 0.00 H new ATOM 0 HA GLU B 5 4.496 4.885 -11.276 1.00 0.00 H new ATOM 0 HB2 GLU B 5 6.395 3.341 -9.492 1.00 0.00 H new ATOM 0 HB3 GLU B 5 6.382 3.161 -11.235 1.00 0.00 H new ATOM 0 HG2 GLU B 5 6.668 5.732 -11.348 1.00 0.00 H new ATOM 0 HG3 GLU B 5 7.017 5.664 -9.632 1.00 0.00 H new ATOM 1056 N ILE B 6 2.874 3.032 -11.639 1.00 0.00 N ATOM 1057 CA ILE B 6 1.912 1.969 -11.936 1.00 0.00 C ATOM 1058 C ILE B 6 2.425 1.202 -13.142 1.00 0.00 C ATOM 1059 O ILE B 6 2.594 1.775 -14.221 1.00 0.00 O ATOM 1060 CB ILE B 6 0.500 2.547 -12.279 1.00 0.00 C ATOM 1061 CG1 ILE B 6 0.082 3.611 -11.216 1.00 0.00 C ATOM 1062 CG2 ILE B 6 -0.550 1.398 -12.402 1.00 0.00 C ATOM 1063 CD1 ILE B 6 -0.984 4.575 -11.681 1.00 0.00 C ATOM 0 H ILE B 6 2.774 3.851 -12.239 1.00 0.00 H new ATOM 0 HA ILE B 6 1.812 1.330 -11.059 1.00 0.00 H new ATOM 0 HB ILE B 6 0.544 3.046 -13.247 1.00 0.00 H new ATOM 0 HG12 ILE B 6 -0.276 3.095 -10.325 1.00 0.00 H new ATOM 0 HG13 ILE B 6 0.965 4.179 -10.922 1.00 0.00 H new ATOM 0 HG21 ILE B 6 -1.526 1.821 -12.641 1.00 0.00 H new ATOM 0 HG22 ILE B 6 -0.248 0.712 -13.194 1.00 0.00 H new ATOM 0 HG23 ILE B 6 -0.610 0.858 -11.457 1.00 0.00 H new ATOM 0 HD11 ILE B 6 -1.213 5.278 -10.880 1.00 0.00 H new ATOM 0 HD12 ILE B 6 -0.625 5.122 -12.553 1.00 0.00 H new ATOM 0 HD13 ILE B 6 -1.885 4.021 -11.946 1.00 0.00 H new ATOM 1075 N TYR B 7 2.663 -0.079 -12.965 1.00 0.00 N ATOM 1076 CA TYR B 7 3.130 -0.949 -14.035 1.00 0.00 C ATOM 1077 C TYR B 7 2.444 -2.306 -13.919 1.00 0.00 C ATOM 1078 O TYR B 7 1.589 -2.504 -13.061 1.00 0.00 O ATOM 1079 CB TYR B 7 4.681 -1.052 -14.011 1.00 0.00 C ATOM 1080 CG TYR B 7 5.302 -1.479 -12.668 1.00 0.00 C ATOM 1081 CD1 TYR B 7 5.475 -0.555 -11.629 1.00 0.00 C ATOM 1082 CD2 TYR B 7 5.742 -2.788 -12.450 1.00 0.00 C ATOM 1083 CE1 TYR B 7 6.054 -0.920 -10.432 1.00 0.00 C ATOM 1084 CE2 TYR B 7 6.320 -3.154 -11.247 1.00 0.00 C ATOM 1085 CZ TYR B 7 6.475 -2.219 -10.245 1.00 0.00 C ATOM 1086 OH TYR B 7 7.060 -2.587 -9.054 1.00 0.00 O ATOM 0 H TYR B 7 2.539 -0.554 -12.071 1.00 0.00 H new ATOM 0 HA TYR B 7 2.864 -0.528 -15.005 1.00 0.00 H new ATOM 0 HB2 TYR B 7 4.991 -1.764 -14.776 1.00 0.00 H new ATOM 0 HB3 TYR B 7 5.095 -0.083 -14.290 1.00 0.00 H new ATOM 0 HD1 TYR B 7 5.148 0.465 -11.769 1.00 0.00 H new ATOM 0 HD2 TYR B 7 5.629 -3.524 -13.232 1.00 0.00 H new ATOM 0 HE1 TYR B 7 6.177 -0.191 -9.644 1.00 0.00 H new ATOM 0 HE2 TYR B 7 6.649 -4.171 -11.093 1.00 0.00 H new ATOM 0 HH TYR B 7 7.298 -3.537 -9.086 1.00 0.00 H new ATOM 1096 N GLN B 8 2.792 -3.215 -14.820 1.00 0.00 N ATOM 1097 CA GLN B 8 2.408 -4.638 -14.699 1.00 0.00 C ATOM 1098 C GLN B 8 3.674 -5.503 -14.672 1.00 0.00 C ATOM 1099 O GLN B 8 4.710 -5.141 -15.244 1.00 0.00 O ATOM 1100 CB GLN B 8 1.419 -5.082 -15.815 1.00 0.00 C ATOM 1101 CG GLN B 8 2.039 -5.491 -17.163 1.00 0.00 C ATOM 1102 CD GLN B 8 1.011 -5.489 -18.304 1.00 0.00 C ATOM 1103 OE1 GLN B 8 0.850 -4.495 -19.015 1.00 0.00 O ATOM 1104 NE2 GLN B 8 0.266 -6.576 -18.442 1.00 0.00 N ATOM 0 H GLN B 8 3.343 -3.002 -15.652 1.00 0.00 H new ATOM 0 HA GLN B 8 1.869 -4.773 -13.761 1.00 0.00 H new ATOM 0 HB2 GLN B 8 0.836 -5.923 -15.439 1.00 0.00 H new ATOM 0 HB3 GLN B 8 0.720 -4.265 -15.995 1.00 0.00 H new ATOM 0 HG2 GLN B 8 2.852 -4.807 -17.408 1.00 0.00 H new ATOM 0 HG3 GLN B 8 2.475 -6.486 -17.072 1.00 0.00 H new ATOM 0 HE21 GLN B 8 0.424 -7.383 -17.838 1.00 0.00 H new ATOM 0 HE22 GLN B 8 -0.465 -6.606 -19.152 1.00 0.00 H new ATOM 1113 N ASP B 9 3.569 -6.627 -13.976 1.00 0.00 N ATOM 1114 CA ASP B 9 4.654 -7.588 -13.786 1.00 0.00 C ATOM 1115 C ASP B 9 4.632 -8.613 -14.922 1.00 0.00 C ATOM 1116 O ASP B 9 3.628 -8.702 -15.628 1.00 0.00 O ATOM 1117 CB ASP B 9 4.457 -8.285 -12.419 1.00 0.00 C ATOM 1118 CG ASP B 9 5.570 -9.262 -12.043 1.00 0.00 C ATOM 1119 OD1 ASP B 9 6.679 -8.801 -11.684 1.00 0.00 O ATOM 1120 OD2 ASP B 9 5.352 -10.487 -12.124 1.00 0.00 O ATOM 0 H ASP B 9 2.703 -6.906 -13.514 1.00 0.00 H new ATOM 0 HA ASP B 9 5.620 -7.082 -13.798 1.00 0.00 H new ATOM 0 HB2 ASP B 9 4.382 -7.523 -11.644 1.00 0.00 H new ATOM 0 HB3 ASP B 9 3.508 -8.821 -12.432 1.00 0.00 H new ATOM 1125 N LYS B 10 5.742 -9.379 -15.052 1.00 0.00 N ATOM 1126 CA LYS B 10 5.924 -10.496 -16.014 1.00 0.00 C ATOM 1127 C LYS B 10 4.706 -11.449 -16.056 1.00 0.00 C ATOM 1128 O LYS B 10 4.327 -11.943 -17.123 1.00 0.00 O ATOM 1129 CB LYS B 10 7.230 -11.278 -15.666 1.00 0.00 C ATOM 1130 CG LYS B 10 7.239 -11.959 -14.274 1.00 0.00 C ATOM 1131 CD LYS B 10 8.553 -12.702 -13.946 1.00 0.00 C ATOM 1132 CE LYS B 10 9.768 -11.764 -13.828 1.00 0.00 C ATOM 1133 NZ LYS B 10 11.009 -12.497 -13.459 1.00 0.00 N ATOM 0 H LYS B 10 6.566 -9.232 -14.469 1.00 0.00 H new ATOM 0 HA LYS B 10 6.011 -10.065 -17.011 1.00 0.00 H new ATOM 0 HB2 LYS B 10 7.391 -12.041 -16.427 1.00 0.00 H new ATOM 0 HB3 LYS B 10 8.073 -10.589 -15.721 1.00 0.00 H new ATOM 0 HG2 LYS B 10 7.061 -11.202 -13.510 1.00 0.00 H new ATOM 0 HG3 LYS B 10 6.411 -12.666 -14.222 1.00 0.00 H new ATOM 0 HD2 LYS B 10 8.431 -13.247 -13.010 1.00 0.00 H new ATOM 0 HD3 LYS B 10 8.748 -13.442 -14.722 1.00 0.00 H new ATOM 0 HE2 LYS B 10 9.921 -11.249 -14.776 1.00 0.00 H new ATOM 0 HE3 LYS B 10 9.563 -10.999 -13.079 1.00 0.00 H new ATOM 0 HZ1 LYS B 10 11.801 -11.826 -13.391 1.00 0.00 H new ATOM 0 HZ2 LYS B 10 10.874 -12.968 -12.542 1.00 0.00 H new ATOM 0 HZ3 LYS B 10 11.221 -13.210 -14.186 1.00 0.00 H new ATOM 1147 N ALA B 11 4.092 -11.663 -14.878 1.00 0.00 N ATOM 1148 CA ALA B 11 2.896 -12.515 -14.713 1.00 0.00 C ATOM 1149 C ALA B 11 1.594 -11.796 -15.185 1.00 0.00 C ATOM 1150 O ALA B 11 0.488 -12.291 -14.962 1.00 0.00 O ATOM 1151 CB ALA B 11 2.793 -12.959 -13.243 1.00 0.00 C ATOM 0 H ALA B 11 4.414 -11.246 -14.004 1.00 0.00 H new ATOM 0 HA ALA B 11 3.004 -13.394 -15.348 1.00 0.00 H new ATOM 0 HB1 ALA B 11 1.912 -13.588 -13.114 1.00 0.00 H new ATOM 0 HB2 ALA B 11 3.685 -13.523 -12.970 1.00 0.00 H new ATOM 0 HB3 ALA B 11 2.709 -12.081 -12.603 1.00 0.00 H new ATOM 1157 N GLY B 12 1.760 -10.641 -15.858 1.00 0.00 N ATOM 1158 CA GLY B 12 0.663 -9.775 -16.300 1.00 0.00 C ATOM 1159 C GLY B 12 -0.122 -9.177 -15.147 1.00 0.00 C ATOM 1160 O GLY B 12 -1.326 -8.949 -15.264 1.00 0.00 O ATOM 0 H GLY B 12 2.680 -10.282 -16.112 1.00 0.00 H new ATOM 0 HA2 GLY B 12 1.068 -8.970 -16.913 1.00 0.00 H new ATOM 0 HA3 GLY B 12 -0.013 -10.349 -16.934 1.00 0.00 H new ATOM 1164 N GLU B 13 0.575 -8.901 -14.030 1.00 0.00 N ATOM 1165 CA GLU B 13 -0.081 -8.474 -12.764 1.00 0.00 C ATOM 1166 C GLU B 13 0.184 -6.997 -12.493 1.00 0.00 C ATOM 1167 O GLU B 13 1.318 -6.622 -12.225 1.00 0.00 O ATOM 1168 CB GLU B 13 0.412 -9.314 -11.555 1.00 0.00 C ATOM 1169 CG GLU B 13 0.053 -10.804 -11.616 1.00 0.00 C ATOM 1170 CD GLU B 13 0.410 -11.543 -10.316 1.00 0.00 C ATOM 1171 OE1 GLU B 13 1.601 -11.863 -10.116 1.00 0.00 O ATOM 1172 OE2 GLU B 13 -0.492 -11.780 -9.477 1.00 0.00 O ATOM 0 H GLU B 13 1.591 -8.964 -13.970 1.00 0.00 H new ATOM 0 HA GLU B 13 -1.152 -8.636 -12.886 1.00 0.00 H new ATOM 0 HB2 GLU B 13 1.495 -9.219 -11.482 1.00 0.00 H new ATOM 0 HB3 GLU B 13 -0.007 -8.891 -10.642 1.00 0.00 H new ATOM 0 HG2 GLU B 13 -1.014 -10.911 -11.811 1.00 0.00 H new ATOM 0 HG3 GLU B 13 0.578 -11.268 -12.451 1.00 0.00 H new ATOM 1179 N TYR B 14 -0.849 -6.160 -12.627 1.00 0.00 N ATOM 1180 CA TYR B 14 -0.744 -4.727 -12.321 1.00 0.00 C ATOM 1181 C TYR B 14 -0.469 -4.461 -10.831 1.00 0.00 C ATOM 1182 O TYR B 14 -1.218 -4.889 -9.956 1.00 0.00 O ATOM 1183 CB TYR B 14 -1.983 -3.951 -12.821 1.00 0.00 C ATOM 1184 CG TYR B 14 -2.044 -3.850 -14.351 1.00 0.00 C ATOM 1185 CD1 TYR B 14 -1.345 -2.848 -15.031 1.00 0.00 C ATOM 1186 CD2 TYR B 14 -2.776 -4.763 -15.117 1.00 0.00 C ATOM 1187 CE1 TYR B 14 -1.371 -2.769 -16.409 1.00 0.00 C ATOM 1188 CE2 TYR B 14 -2.806 -4.681 -16.494 1.00 0.00 C ATOM 1189 CZ TYR B 14 -2.101 -3.684 -17.135 1.00 0.00 C ATOM 1190 OH TYR B 14 -2.119 -3.610 -18.510 1.00 0.00 O ATOM 0 H TYR B 14 -1.773 -6.451 -12.947 1.00 0.00 H new ATOM 0 HA TYR B 14 0.123 -4.352 -12.866 1.00 0.00 H new ATOM 0 HB2 TYR B 14 -2.885 -4.443 -12.458 1.00 0.00 H new ATOM 0 HB3 TYR B 14 -1.974 -2.948 -12.395 1.00 0.00 H new ATOM 0 HD1 TYR B 14 -0.775 -2.123 -14.469 1.00 0.00 H new ATOM 0 HD2 TYR B 14 -3.328 -5.547 -14.621 1.00 0.00 H new ATOM 0 HE1 TYR B 14 -0.820 -1.991 -16.917 1.00 0.00 H new ATOM 0 HE2 TYR B 14 -3.379 -5.395 -17.067 1.00 0.00 H new ATOM 0 HH TYR B 14 -1.240 -3.861 -18.863 1.00 0.00 H new ATOM 1200 N ARG B 15 0.621 -3.723 -10.607 1.00 0.00 N ATOM 1201 CA ARG B 15 1.072 -3.290 -9.287 1.00 0.00 C ATOM 1202 C ARG B 15 1.623 -1.884 -9.372 1.00 0.00 C ATOM 1203 O ARG B 15 2.316 -1.538 -10.335 1.00 0.00 O ATOM 1204 CB ARG B 15 2.116 -4.230 -8.623 1.00 0.00 C ATOM 1205 CG ARG B 15 3.449 -4.489 -9.356 1.00 0.00 C ATOM 1206 CD ARG B 15 3.429 -5.796 -10.154 1.00 0.00 C ATOM 1207 NE ARG B 15 2.839 -6.918 -9.375 1.00 0.00 N ATOM 1208 CZ ARG B 15 3.505 -7.971 -8.857 1.00 0.00 C ATOM 1209 NH1 ARG B 15 4.820 -8.087 -9.006 1.00 0.00 N ATOM 1210 NH2 ARG B 15 2.839 -8.897 -8.183 1.00 0.00 N ATOM 0 H ARG B 15 1.229 -3.403 -11.361 1.00 0.00 H new ATOM 0 HA ARG B 15 0.193 -3.324 -8.643 1.00 0.00 H new ATOM 0 HB2 ARG B 15 2.353 -3.821 -7.641 1.00 0.00 H new ATOM 0 HB3 ARG B 15 1.636 -5.195 -8.459 1.00 0.00 H new ATOM 0 HG2 ARG B 15 3.658 -3.658 -10.029 1.00 0.00 H new ATOM 0 HG3 ARG B 15 4.260 -4.522 -8.629 1.00 0.00 H new ATOM 0 HD2 ARG B 15 2.857 -5.652 -11.071 1.00 0.00 H new ATOM 0 HD3 ARG B 15 4.446 -6.055 -10.450 1.00 0.00 H new ATOM 0 HE ARG B 15 1.832 -6.888 -9.217 1.00 0.00 H new ATOM 0 HH11 ARG B 15 5.340 -7.374 -9.518 1.00 0.00 H new ATOM 0 HH12 ARG B 15 5.310 -8.889 -8.609 1.00 0.00 H new ATOM 0 HH21 ARG B 15 1.830 -8.811 -8.059 1.00 0.00 H new ATOM 0 HH22 ARG B 15 3.335 -9.696 -7.788 1.00 0.00 H new ATOM 1224 N PHE B 16 1.304 -1.071 -8.364 1.00 0.00 N ATOM 1225 CA PHE B 16 1.905 0.239 -8.201 1.00 0.00 C ATOM 1226 C PHE B 16 2.853 0.221 -7.009 1.00 0.00 C ATOM 1227 O PHE B 16 2.920 -0.756 -6.239 1.00 0.00 O ATOM 1228 CB PHE B 16 0.843 1.373 -8.098 1.00 0.00 C ATOM 1229 CG PHE B 16 -0.136 1.330 -6.919 1.00 0.00 C ATOM 1230 CD1 PHE B 16 -1.355 0.666 -7.030 1.00 0.00 C ATOM 1231 CD2 PHE B 16 0.125 2.023 -5.735 1.00 0.00 C ATOM 1232 CE1 PHE B 16 -2.274 0.687 -6.000 1.00 0.00 C ATOM 1233 CE2 PHE B 16 -0.795 2.034 -4.699 1.00 0.00 C ATOM 1234 CZ PHE B 16 -1.997 1.376 -4.834 1.00 0.00 C ATOM 0 H PHE B 16 0.623 -1.308 -7.643 1.00 0.00 H new ATOM 0 HA PHE B 16 2.482 0.466 -9.097 1.00 0.00 H new ATOM 0 HB2 PHE B 16 1.372 2.325 -8.059 1.00 0.00 H new ATOM 0 HB3 PHE B 16 0.259 1.370 -9.018 1.00 0.00 H new ATOM 0 HD1 PHE B 16 -1.585 0.126 -7.936 1.00 0.00 H new ATOM 0 HD2 PHE B 16 1.057 2.558 -5.625 1.00 0.00 H new ATOM 0 HE1 PHE B 16 -3.213 0.163 -6.106 1.00 0.00 H new ATOM 0 HE2 PHE B 16 -0.569 2.560 -3.783 1.00 0.00 H new ATOM 0 HZ PHE B 16 -2.720 1.398 -4.032 1.00 0.00 H new ATOM 1244 N ARG B 17 3.654 1.273 -6.953 1.00 0.00 N ATOM 1245 CA ARG B 17 4.558 1.554 -5.843 1.00 0.00 C ATOM 1246 C ARG B 17 4.543 3.051 -5.540 1.00 0.00 C ATOM 1247 O ARG B 17 4.118 3.845 -6.380 1.00 0.00 O ATOM 1248 CB ARG B 17 5.989 1.069 -6.194 1.00 0.00 C ATOM 1249 CG ARG B 17 6.600 1.646 -7.484 1.00 0.00 C ATOM 1250 CD ARG B 17 8.017 1.110 -7.741 1.00 0.00 C ATOM 1251 NE ARG B 17 8.593 1.612 -9.002 1.00 0.00 N ATOM 1252 CZ ARG B 17 9.905 1.655 -9.287 1.00 0.00 C ATOM 1253 NH1 ARG B 17 10.821 1.377 -8.357 1.00 0.00 N ATOM 1254 NH2 ARG B 17 10.298 2.031 -10.494 1.00 0.00 N ATOM 0 H ARG B 17 3.697 1.973 -7.694 1.00 0.00 H new ATOM 0 HA ARG B 17 4.227 1.018 -4.953 1.00 0.00 H new ATOM 0 HB2 ARG B 17 6.649 1.315 -5.362 1.00 0.00 H new ATOM 0 HB3 ARG B 17 5.973 -0.018 -6.278 1.00 0.00 H new ATOM 0 HG2 ARG B 17 5.960 1.398 -8.331 1.00 0.00 H new ATOM 0 HG3 ARG B 17 6.631 2.733 -7.415 1.00 0.00 H new ATOM 0 HD2 ARG B 17 8.665 1.394 -6.912 1.00 0.00 H new ATOM 0 HD3 ARG B 17 7.990 0.021 -7.766 1.00 0.00 H new ATOM 0 HE ARG B 17 7.945 1.953 -9.713 1.00 0.00 H new ATOM 0 HH11 ARG B 17 10.529 1.127 -7.412 1.00 0.00 H new ATOM 0 HH12 ARG B 17 11.813 1.415 -8.591 1.00 0.00 H new ATOM 0 HH21 ARG B 17 9.606 2.285 -11.199 1.00 0.00 H new ATOM 0 HH22 ARG B 17 11.292 2.066 -10.719 1.00 0.00 H new ATOM 1268 N PHE B 18 5.017 3.433 -4.347 1.00 0.00 N ATOM 1269 CA PHE B 18 5.184 4.847 -3.977 1.00 0.00 C ATOM 1270 C PHE B 18 6.662 5.081 -3.689 1.00 0.00 C ATOM 1271 O PHE B 18 7.323 4.276 -3.009 1.00 0.00 O ATOM 1272 CB PHE B 18 4.309 5.259 -2.768 1.00 0.00 C ATOM 1273 CG PHE B 18 4.377 6.743 -2.392 1.00 0.00 C ATOM 1274 CD1 PHE B 18 4.298 7.737 -3.369 1.00 0.00 C ATOM 1275 CD2 PHE B 18 4.503 7.138 -1.065 1.00 0.00 C ATOM 1276 CE1 PHE B 18 4.351 9.070 -3.028 1.00 0.00 C ATOM 1277 CE2 PHE B 18 4.555 8.469 -0.721 1.00 0.00 C ATOM 1278 CZ PHE B 18 4.482 9.437 -1.703 1.00 0.00 C ATOM 0 H PHE B 18 5.294 2.778 -3.616 1.00 0.00 H new ATOM 0 HA PHE B 18 4.848 5.471 -4.805 1.00 0.00 H new ATOM 0 HB2 PHE B 18 3.272 5.002 -2.985 1.00 0.00 H new ATOM 0 HB3 PHE B 18 4.609 4.667 -1.903 1.00 0.00 H new ATOM 0 HD1 PHE B 18 4.194 7.457 -4.407 1.00 0.00 H new ATOM 0 HD2 PHE B 18 4.561 6.387 -0.291 1.00 0.00 H new ATOM 0 HE1 PHE B 18 4.290 9.827 -3.795 1.00 0.00 H new ATOM 0 HE2 PHE B 18 4.653 8.756 0.315 1.00 0.00 H new ATOM 0 HZ PHE B 18 4.527 10.482 -1.435 1.00 0.00 H new ATOM 1288 N LYS B 19 7.170 6.163 -4.264 1.00 0.00 N ATOM 1289 CA LYS B 19 8.588 6.493 -4.282 1.00 0.00 C ATOM 1290 C LYS B 19 8.944 7.574 -3.248 1.00 0.00 C ATOM 1291 O LYS B 19 8.094 8.055 -2.487 1.00 0.00 O ATOM 1292 CB LYS B 19 8.946 6.949 -5.725 1.00 0.00 C ATOM 1293 CG LYS B 19 8.650 5.881 -6.808 1.00 0.00 C ATOM 1294 CD LYS B 19 9.464 4.582 -6.577 1.00 0.00 C ATOM 1295 CE LYS B 19 10.978 4.797 -6.740 1.00 0.00 C ATOM 1296 NZ LYS B 19 11.372 5.045 -8.146 1.00 0.00 N ATOM 0 H LYS B 19 6.592 6.853 -4.743 1.00 0.00 H new ATOM 0 HA LYS B 19 9.172 5.615 -4.005 1.00 0.00 H new ATOM 0 HB2 LYS B 19 8.387 7.855 -5.959 1.00 0.00 H new ATOM 0 HB3 LYS B 19 10.004 7.208 -5.763 1.00 0.00 H new ATOM 0 HG2 LYS B 19 7.585 5.647 -6.806 1.00 0.00 H new ATOM 0 HG3 LYS B 19 8.885 6.287 -7.792 1.00 0.00 H new ATOM 0 HD2 LYS B 19 9.260 4.203 -5.576 1.00 0.00 H new ATOM 0 HD3 LYS B 19 9.131 3.819 -7.281 1.00 0.00 H new ATOM 0 HE2 LYS B 19 11.289 5.642 -6.125 1.00 0.00 H new ATOM 0 HE3 LYS B 19 11.508 3.920 -6.368 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 12.137 4.393 -8.412 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 10.553 4.890 -8.768 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 11.702 6.026 -8.246 1.00 0.00 H new ATOM 1310 N ALA B 20 10.237 7.924 -3.249 1.00 0.00 N ATOM 1311 CA ALA B 20 10.831 9.006 -2.457 1.00 0.00 C ATOM 1312 C ALA B 20 11.655 9.890 -3.420 1.00 0.00 C ATOM 1313 O ALA B 20 11.914 9.474 -4.558 1.00 0.00 O ATOM 1314 CB ALA B 20 11.677 8.438 -1.307 1.00 0.00 C ATOM 0 H ALA B 20 10.925 7.440 -3.826 1.00 0.00 H new ATOM 0 HA ALA B 20 10.059 9.615 -1.986 1.00 0.00 H new ATOM 0 HB1 ALA B 20 12.108 9.258 -0.733 1.00 0.00 H new ATOM 0 HB2 ALA B 20 11.047 7.832 -0.657 1.00 0.00 H new ATOM 0 HB3 ALA B 20 12.477 7.821 -1.715 1.00 0.00 H new ATOM 1320 N SER B 21 11.962 11.127 -2.992 1.00 0.00 N ATOM 1321 CA SER B 21 12.585 12.168 -3.852 1.00 0.00 C ATOM 1322 C SER B 21 13.841 11.733 -4.652 1.00 0.00 C ATOM 1323 O SER B 21 14.002 12.140 -5.808 1.00 0.00 O ATOM 1324 CB SER B 21 12.908 13.398 -2.987 1.00 0.00 C ATOM 1325 OG SER B 21 13.774 13.062 -1.917 1.00 0.00 O ATOM 0 H SER B 21 11.787 11.441 -2.038 1.00 0.00 H new ATOM 0 HA SER B 21 11.846 12.390 -4.621 1.00 0.00 H new ATOM 0 HB2 SER B 21 13.371 14.168 -3.604 1.00 0.00 H new ATOM 0 HB3 SER B 21 11.984 13.820 -2.591 1.00 0.00 H new ATOM 0 HG SER B 21 13.963 13.863 -1.385 1.00 0.00 H new ATOM 1331 N ASN B 22 14.711 10.908 -4.045 1.00 0.00 N ATOM 1332 CA ASN B 22 15.995 10.486 -4.672 1.00 0.00 C ATOM 1333 C ASN B 22 15.829 9.133 -5.409 1.00 0.00 C ATOM 1334 O ASN B 22 16.819 8.471 -5.736 1.00 0.00 O ATOM 1335 CB ASN B 22 17.116 10.386 -3.594 1.00 0.00 C ATOM 1336 CG ASN B 22 17.168 11.582 -2.637 1.00 0.00 C ATOM 1337 OD1 ASN B 22 17.882 12.559 -2.869 1.00 0.00 O ATOM 1338 ND2 ASN B 22 16.396 11.511 -1.557 1.00 0.00 N ATOM 0 H ASN B 22 14.556 10.514 -3.117 1.00 0.00 H new ATOM 0 HA ASN B 22 16.282 11.239 -5.406 1.00 0.00 H new ATOM 0 HB2 ASN B 22 16.968 9.475 -3.014 1.00 0.00 H new ATOM 0 HB3 ASN B 22 18.080 10.292 -4.094 1.00 0.00 H new ATOM 0 HD21 ASN B 22 16.382 12.281 -0.888 1.00 0.00 H new ATOM 0 HD22 ASN B 22 15.818 10.686 -1.397 1.00 0.00 H new ATOM 1345 N GLY B 23 14.568 8.746 -5.686 1.00 0.00 N ATOM 1346 CA GLY B 23 14.256 7.531 -6.446 1.00 0.00 C ATOM 1347 C GLY B 23 14.238 6.251 -5.615 1.00 0.00 C ATOM 1348 O GLY B 23 14.357 5.152 -6.173 1.00 0.00 O ATOM 0 H GLY B 23 13.744 9.268 -5.388 1.00 0.00 H new ATOM 0 HA2 GLY B 23 13.283 7.655 -6.921 1.00 0.00 H new ATOM 0 HA3 GLY B 23 14.989 7.420 -7.245 1.00 0.00 H new ATOM 1352 N GLU B 24 14.099 6.386 -4.286 1.00 0.00 N ATOM 1353 CA GLU B 24 13.971 5.225 -3.373 1.00 0.00 C ATOM 1354 C GLU B 24 12.504 4.767 -3.333 1.00 0.00 C ATOM 1355 O GLU B 24 11.611 5.568 -3.593 1.00 0.00 O ATOM 1356 CB GLU B 24 14.447 5.578 -1.933 1.00 0.00 C ATOM 1357 CG GLU B 24 15.813 6.313 -1.840 1.00 0.00 C ATOM 1358 CD GLU B 24 15.697 7.828 -1.582 1.00 0.00 C ATOM 1359 OE1 GLU B 24 14.811 8.483 -2.173 1.00 0.00 O ATOM 1360 OE2 GLU B 24 16.484 8.374 -0.771 1.00 0.00 O ATOM 0 H GLU B 24 14.072 7.289 -3.813 1.00 0.00 H new ATOM 0 HA GLU B 24 14.605 4.423 -3.751 1.00 0.00 H new ATOM 0 HB2 GLU B 24 13.687 6.200 -1.460 1.00 0.00 H new ATOM 0 HB3 GLU B 24 14.510 4.657 -1.354 1.00 0.00 H new ATOM 0 HG2 GLU B 24 16.401 5.863 -1.040 1.00 0.00 H new ATOM 0 HG3 GLU B 24 16.362 6.155 -2.768 1.00 0.00 H new ATOM 1367 N THR B 25 12.251 3.482 -3.019 1.00 0.00 N ATOM 1368 CA THR B 25 10.871 2.950 -2.877 1.00 0.00 C ATOM 1369 C THR B 25 10.626 2.524 -1.415 1.00 0.00 C ATOM 1370 O THR B 25 11.564 2.146 -0.703 1.00 0.00 O ATOM 1371 CB THR B 25 10.600 1.744 -3.846 1.00 0.00 C ATOM 1372 OG1 THR B 25 11.065 2.058 -5.167 1.00 0.00 O ATOM 1373 CG2 THR B 25 9.109 1.371 -3.922 1.00 0.00 C ATOM 0 H THR B 25 12.981 2.788 -2.858 1.00 0.00 H new ATOM 0 HA THR B 25 10.178 3.746 -3.150 1.00 0.00 H new ATOM 0 HB THR B 25 11.142 0.890 -3.441 1.00 0.00 H new ATOM 0 HG1 THR B 25 11.491 1.268 -5.560 1.00 0.00 H new ATOM 0 HG21 THR B 25 8.978 0.532 -4.605 1.00 0.00 H new ATOM 0 HG22 THR B 25 8.753 1.090 -2.931 1.00 0.00 H new ATOM 0 HG23 THR B 25 8.538 2.226 -4.284 1.00 0.00 H new ATOM 1381 N MET B 26 9.357 2.598 -0.990 1.00 0.00 N ATOM 1382 CA MET B 26 8.943 2.312 0.395 1.00 0.00 C ATOM 1383 C MET B 26 7.793 1.271 0.462 1.00 0.00 C ATOM 1384 O MET B 26 7.728 0.486 1.418 1.00 0.00 O ATOM 1385 CB MET B 26 8.616 3.647 1.122 1.00 0.00 C ATOM 1386 CG MET B 26 7.786 4.650 0.310 1.00 0.00 C ATOM 1387 SD MET B 26 6.134 4.063 -0.082 1.00 0.00 S ATOM 1388 CE MET B 26 5.472 3.865 1.559 1.00 0.00 C ATOM 0 H MET B 26 8.582 2.859 -1.600 1.00 0.00 H new ATOM 0 HA MET B 26 9.770 1.840 0.925 1.00 0.00 H new ATOM 0 HB2 MET B 26 8.080 3.418 2.043 1.00 0.00 H new ATOM 0 HB3 MET B 26 9.553 4.124 1.409 1.00 0.00 H new ATOM 0 HG2 MET B 26 7.708 5.582 0.870 1.00 0.00 H new ATOM 0 HG3 MET B 26 8.312 4.878 -0.617 1.00 0.00 H new ATOM 0 HE1 MET B 26 4.673 3.124 1.542 1.00 0.00 H new ATOM 0 HE2 MET B 26 6.262 3.531 2.232 1.00 0.00 H new ATOM 0 HE3 MET B 26 5.076 4.818 1.909 1.00 0.00 H new ATOM 1398 N PHE B 27 6.888 1.256 -0.545 1.00 0.00 N ATOM 1399 CA PHE B 27 5.908 0.148 -0.719 1.00 0.00 C ATOM 1400 C PHE B 27 5.670 -0.118 -2.211 1.00 0.00 C ATOM 1401 O PHE B 27 5.902 0.752 -3.048 1.00 0.00 O ATOM 1402 CB PHE B 27 4.556 0.385 0.057 1.00 0.00 C ATOM 1403 CG PHE B 27 3.411 1.097 -0.698 1.00 0.00 C ATOM 1404 CD1 PHE B 27 2.485 0.380 -1.467 1.00 0.00 C ATOM 1405 CD2 PHE B 27 3.249 2.469 -0.618 1.00 0.00 C ATOM 1406 CE1 PHE B 27 1.456 1.039 -2.117 1.00 0.00 C ATOM 1407 CE2 PHE B 27 2.231 3.123 -1.258 1.00 0.00 C ATOM 1408 CZ PHE B 27 1.330 2.414 -2.009 1.00 0.00 C ATOM 0 H PHE B 27 6.813 1.992 -1.247 1.00 0.00 H new ATOM 0 HA PHE B 27 6.346 -0.743 -0.270 1.00 0.00 H new ATOM 0 HB2 PHE B 27 4.186 -0.585 0.391 1.00 0.00 H new ATOM 0 HB3 PHE B 27 4.780 0.966 0.952 1.00 0.00 H new ATOM 0 HD1 PHE B 27 2.575 -0.693 -1.553 1.00 0.00 H new ATOM 0 HD2 PHE B 27 3.950 3.043 -0.030 1.00 0.00 H new ATOM 0 HE1 PHE B 27 0.749 0.479 -2.711 1.00 0.00 H new ATOM 0 HE2 PHE B 27 2.138 4.195 -1.171 1.00 0.00 H new ATOM 0 HZ PHE B 27 0.525 2.926 -2.515 1.00 0.00 H new ATOM 1418 N SER B 28 5.183 -1.330 -2.491 1.00 0.00 N ATOM 1419 CA SER B 28 4.987 -1.867 -3.855 1.00 0.00 C ATOM 1420 C SER B 28 4.036 -3.081 -3.844 1.00 0.00 C ATOM 1421 O SER B 28 3.424 -3.401 -2.823 1.00 0.00 O ATOM 1422 CB SER B 28 6.360 -2.318 -4.458 1.00 0.00 C ATOM 1423 OG SER B 28 7.338 -1.294 -4.480 1.00 0.00 O ATOM 0 H SER B 28 4.905 -1.987 -1.762 1.00 0.00 H new ATOM 0 HA SER B 28 4.550 -1.074 -4.461 1.00 0.00 H new ATOM 0 HB2 SER B 28 6.741 -3.160 -3.880 1.00 0.00 H new ATOM 0 HB3 SER B 28 6.200 -2.676 -5.475 1.00 0.00 H new ATOM 0 HG SER B 28 8.168 -1.643 -4.866 1.00 0.00 H new ATOM 1429 N SER B 29 3.844 -3.668 -5.040 1.00 0.00 N ATOM 1430 CA SER B 29 3.600 -5.122 -5.228 1.00 0.00 C ATOM 1431 C SER B 29 2.115 -5.525 -5.277 1.00 0.00 C ATOM 1432 O SER B 29 1.792 -6.563 -5.868 1.00 0.00 O ATOM 1433 CB SER B 29 4.395 -5.985 -4.201 1.00 0.00 C ATOM 1434 OG SER B 29 4.184 -7.374 -4.388 1.00 0.00 O ATOM 0 H SER B 29 3.853 -3.146 -5.916 1.00 0.00 H new ATOM 0 HA SER B 29 3.985 -5.338 -6.225 1.00 0.00 H new ATOM 0 HB2 SER B 29 5.459 -5.766 -4.292 1.00 0.00 H new ATOM 0 HB3 SER B 29 4.098 -5.708 -3.190 1.00 0.00 H new ATOM 0 HG SER B 29 4.702 -7.876 -3.724 1.00 0.00 H new ATOM 1440 N GLU B 30 1.214 -4.728 -4.693 1.00 0.00 N ATOM 1441 CA GLU B 30 -0.242 -5.020 -4.731 1.00 0.00 C ATOM 1442 C GLU B 30 -0.859 -4.647 -6.110 1.00 0.00 C ATOM 1443 O GLU B 30 -0.898 -5.493 -7.017 1.00 0.00 O ATOM 1444 CB GLU B 30 -1.000 -4.376 -3.508 1.00 0.00 C ATOM 1445 CG GLU B 30 -0.236 -3.255 -2.755 1.00 0.00 C ATOM 1446 CD GLU B 30 0.042 -2.028 -3.630 1.00 0.00 C ATOM 1447 OE1 GLU B 30 -0.921 -1.376 -4.020 1.00 0.00 O ATOM 1448 OE2 GLU B 30 1.202 -1.763 -3.981 1.00 0.00 O ATOM 0 H GLU B 30 1.456 -3.876 -4.187 1.00 0.00 H new ATOM 0 HA GLU B 30 -0.373 -6.097 -4.623 1.00 0.00 H new ATOM 0 HB2 GLU B 30 -1.946 -3.969 -3.865 1.00 0.00 H new ATOM 0 HB3 GLU B 30 -1.241 -5.166 -2.797 1.00 0.00 H new ATOM 0 HG2 GLU B 30 -0.816 -2.949 -1.884 1.00 0.00 H new ATOM 0 HG3 GLU B 30 0.709 -3.652 -2.385 1.00 0.00 H new ATOM 1455 N GLY B 31 -1.299 -3.384 -6.279 1.00 0.00 N ATOM 1456 CA GLY B 31 -2.054 -2.954 -7.467 1.00 0.00 C ATOM 1457 C GLY B 31 -3.540 -3.308 -7.407 1.00 0.00 C ATOM 1458 O GLY B 31 -4.279 -3.043 -8.365 1.00 0.00 O ATOM 0 H GLY B 31 -1.141 -2.640 -5.599 1.00 0.00 H new ATOM 0 HA2 GLY B 31 -1.950 -1.875 -7.583 1.00 0.00 H new ATOM 0 HA3 GLY B 31 -1.615 -3.413 -8.353 1.00 0.00 H new ATOM 1462 N TYR B 32 -3.946 -3.916 -6.271 1.00 0.00 N ATOM 1463 CA TYR B 32 -5.334 -4.258 -5.919 1.00 0.00 C ATOM 1464 C TYR B 32 -5.873 -5.453 -6.759 1.00 0.00 C ATOM 1465 O TYR B 32 -6.153 -6.520 -6.198 1.00 0.00 O ATOM 1466 CB TYR B 32 -6.257 -2.996 -5.980 1.00 0.00 C ATOM 1467 CG TYR B 32 -7.555 -3.068 -5.150 1.00 0.00 C ATOM 1468 CD1 TYR B 32 -7.613 -3.791 -3.951 1.00 0.00 C ATOM 1469 CD2 TYR B 32 -8.709 -2.385 -5.548 1.00 0.00 C ATOM 1470 CE1 TYR B 32 -8.767 -3.833 -3.196 1.00 0.00 C ATOM 1471 CE2 TYR B 32 -9.865 -2.429 -4.791 1.00 0.00 C ATOM 1472 CZ TYR B 32 -9.889 -3.154 -3.619 1.00 0.00 C ATOM 1473 OH TYR B 32 -11.042 -3.191 -2.863 1.00 0.00 O ATOM 0 H TYR B 32 -3.284 -4.192 -5.546 1.00 0.00 H new ATOM 0 HA TYR B 32 -5.343 -4.601 -4.885 1.00 0.00 H new ATOM 0 HB2 TYR B 32 -5.682 -2.133 -5.644 1.00 0.00 H new ATOM 0 HB3 TYR B 32 -6.524 -2.816 -7.021 1.00 0.00 H new ATOM 0 HD1 TYR B 32 -6.738 -4.325 -3.612 1.00 0.00 H new ATOM 0 HD2 TYR B 32 -8.697 -1.813 -6.464 1.00 0.00 H new ATOM 0 HE1 TYR B 32 -8.791 -4.397 -2.275 1.00 0.00 H new ATOM 0 HE2 TYR B 32 -10.747 -1.897 -5.117 1.00 0.00 H new ATOM 0 HH TYR B 32 -10.835 -2.938 -1.939 1.00 0.00 H new ATOM 1483 N LYS B 33 -6.005 -5.283 -8.090 1.00 0.00 N ATOM 1484 CA LYS B 33 -6.476 -6.359 -9.001 1.00 0.00 C ATOM 1485 C LYS B 33 -5.924 -6.145 -10.426 1.00 0.00 C ATOM 1486 O LYS B 33 -5.248 -7.020 -10.980 1.00 0.00 O ATOM 1487 CB LYS B 33 -8.038 -6.414 -9.008 1.00 0.00 C ATOM 1488 CG LYS B 33 -8.676 -7.421 -9.997 1.00 0.00 C ATOM 1489 CD LYS B 33 -8.223 -8.883 -9.774 1.00 0.00 C ATOM 1490 CE LYS B 33 -8.838 -9.848 -10.808 1.00 0.00 C ATOM 1491 NZ LYS B 33 -8.299 -11.231 -10.691 1.00 0.00 N ATOM 0 H LYS B 33 -5.792 -4.406 -8.566 1.00 0.00 H new ATOM 0 HA LYS B 33 -6.101 -7.315 -8.637 1.00 0.00 H new ATOM 0 HB2 LYS B 33 -8.378 -6.658 -8.002 1.00 0.00 H new ATOM 0 HB3 LYS B 33 -8.416 -5.418 -9.239 1.00 0.00 H new ATOM 0 HG2 LYS B 33 -9.761 -7.368 -9.906 1.00 0.00 H new ATOM 0 HG3 LYS B 33 -8.427 -7.124 -11.016 1.00 0.00 H new ATOM 0 HD2 LYS B 33 -7.136 -8.937 -9.831 1.00 0.00 H new ATOM 0 HD3 LYS B 33 -8.506 -9.200 -8.770 1.00 0.00 H new ATOM 0 HE2 LYS B 33 -9.920 -9.872 -10.679 1.00 0.00 H new ATOM 0 HE3 LYS B 33 -8.645 -9.470 -11.812 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 -8.744 -11.839 -11.408 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 -7.270 -11.216 -10.841 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 -8.506 -11.605 -9.743 1.00 0.00 H new ATOM 1505 N ALA B 34 -6.209 -4.967 -10.993 1.00 0.00 N ATOM 1506 CA ALA B 34 -5.859 -4.607 -12.389 1.00 0.00 C ATOM 1507 C ALA B 34 -5.411 -3.138 -12.424 1.00 0.00 C ATOM 1508 O ALA B 34 -5.289 -2.526 -11.364 1.00 0.00 O ATOM 1509 CB ALA B 34 -7.070 -4.849 -13.308 1.00 0.00 C ATOM 0 H ALA B 34 -6.696 -4.221 -10.496 1.00 0.00 H new ATOM 0 HA ALA B 34 -5.040 -5.230 -12.749 1.00 0.00 H new ATOM 0 HB1 ALA B 34 -6.808 -4.583 -14.332 1.00 0.00 H new ATOM 0 HB2 ALA B 34 -7.353 -5.901 -13.267 1.00 0.00 H new ATOM 0 HB3 ALA B 34 -7.907 -4.235 -12.976 1.00 0.00 H new ATOM 1515 N LYS B 35 -5.159 -2.567 -13.626 1.00 0.00 N ATOM 1516 CA LYS B 35 -4.762 -1.148 -13.795 1.00 0.00 C ATOM 1517 C LYS B 35 -5.875 -0.220 -13.284 1.00 0.00 C ATOM 1518 O LYS B 35 -5.609 0.721 -12.530 1.00 0.00 O ATOM 1519 CB LYS B 35 -4.402 -0.907 -15.319 1.00 0.00 C ATOM 1520 CG LYS B 35 -4.963 0.351 -16.043 1.00 0.00 C ATOM 1521 CD LYS B 35 -4.194 1.650 -15.736 1.00 0.00 C ATOM 1522 CE LYS B 35 -4.846 2.881 -16.398 1.00 0.00 C ATOM 1523 NZ LYS B 35 -4.117 4.139 -16.108 1.00 0.00 N ATOM 0 H LYS B 35 -5.225 -3.077 -14.507 1.00 0.00 H new ATOM 0 HA LYS B 35 -3.879 -0.916 -13.200 1.00 0.00 H new ATOM 0 HB2 LYS B 35 -3.315 -0.873 -15.398 1.00 0.00 H new ATOM 0 HB3 LYS B 35 -4.735 -1.782 -15.877 1.00 0.00 H new ATOM 0 HG2 LYS B 35 -4.944 0.176 -17.119 1.00 0.00 H new ATOM 0 HG3 LYS B 35 -6.007 0.484 -15.760 1.00 0.00 H new ATOM 0 HD2 LYS B 35 -4.152 1.799 -14.657 1.00 0.00 H new ATOM 0 HD3 LYS B 35 -3.166 1.553 -16.085 1.00 0.00 H new ATOM 0 HE2 LYS B 35 -4.887 2.730 -17.477 1.00 0.00 H new ATOM 0 HE3 LYS B 35 -5.875 2.973 -16.050 1.00 0.00 H new ATOM 0 HZ1 LYS B 35 -4.764 4.821 -15.663 1.00 0.00 H new ATOM 0 HZ2 LYS B 35 -3.326 3.941 -15.463 1.00 0.00 H new ATOM 0 HZ3 LYS B 35 -3.749 4.539 -16.995 1.00 0.00 H new ATOM 1537 N ALA B 36 -7.121 -0.519 -13.687 1.00 0.00 N ATOM 1538 CA ALA B 36 -8.322 0.210 -13.230 1.00 0.00 C ATOM 1539 C ALA B 36 -8.384 0.261 -11.688 1.00 0.00 C ATOM 1540 O ALA B 36 -8.532 1.337 -11.094 1.00 0.00 O ATOM 1541 CB ALA B 36 -9.585 -0.451 -13.810 1.00 0.00 C ATOM 0 H ALA B 36 -7.327 -1.275 -14.341 1.00 0.00 H new ATOM 0 HA ALA B 36 -8.267 1.237 -13.591 1.00 0.00 H new ATOM 0 HB1 ALA B 36 -10.468 0.090 -13.470 1.00 0.00 H new ATOM 0 HB2 ALA B 36 -9.541 -0.426 -14.899 1.00 0.00 H new ATOM 0 HB3 ALA B 36 -9.642 -1.486 -13.473 1.00 0.00 H new ATOM 1547 N SER B 37 -8.165 -0.908 -11.072 1.00 0.00 N ATOM 1548 CA SER B 37 -8.220 -1.084 -9.613 1.00 0.00 C ATOM 1549 C SER B 37 -6.999 -0.440 -8.931 1.00 0.00 C ATOM 1550 O SER B 37 -7.079 -0.041 -7.767 1.00 0.00 O ATOM 1551 CB SER B 37 -8.276 -2.585 -9.280 1.00 0.00 C ATOM 1552 OG SER B 37 -9.224 -3.254 -10.097 1.00 0.00 O ATOM 0 H SER B 37 -7.943 -1.766 -11.576 1.00 0.00 H new ATOM 0 HA SER B 37 -9.116 -0.590 -9.237 1.00 0.00 H new ATOM 0 HB2 SER B 37 -7.291 -3.029 -9.422 1.00 0.00 H new ATOM 0 HB3 SER B 37 -8.537 -2.718 -8.230 1.00 0.00 H new ATOM 0 HG SER B 37 -9.815 -3.797 -9.535 1.00 0.00 H new ATOM 1558 N ALA B 38 -5.877 -0.349 -9.683 1.00 0.00 N ATOM 1559 CA ALA B 38 -4.621 0.240 -9.199 1.00 0.00 C ATOM 1560 C ALA B 38 -4.816 1.737 -8.925 1.00 0.00 C ATOM 1561 O ALA B 38 -4.545 2.200 -7.822 1.00 0.00 O ATOM 1562 CB ALA B 38 -3.469 -0.001 -10.201 1.00 0.00 C ATOM 0 H ALA B 38 -5.825 -0.685 -10.645 1.00 0.00 H new ATOM 0 HA ALA B 38 -4.344 -0.250 -8.265 1.00 0.00 H new ATOM 0 HB1 ALA B 38 -2.552 0.446 -9.816 1.00 0.00 H new ATOM 0 HB2 ALA B 38 -3.322 -1.073 -10.335 1.00 0.00 H new ATOM 0 HB3 ALA B 38 -3.719 0.453 -11.160 1.00 0.00 H new ATOM 1568 N ILE B 39 -5.297 2.483 -9.944 1.00 0.00 N ATOM 1569 CA ILE B 39 -5.633 3.922 -9.819 1.00 0.00 C ATOM 1570 C ILE B 39 -6.644 4.161 -8.682 1.00 0.00 C ATOM 1571 O ILE B 39 -6.427 5.048 -7.863 1.00 0.00 O ATOM 1572 CB ILE B 39 -6.188 4.533 -11.180 1.00 0.00 C ATOM 1573 CG1 ILE B 39 -5.043 4.788 -12.214 1.00 0.00 C ATOM 1574 CG2 ILE B 39 -7.003 5.836 -10.967 1.00 0.00 C ATOM 1575 CD1 ILE B 39 -4.309 3.556 -12.682 1.00 0.00 C ATOM 0 H ILE B 39 -5.464 2.106 -10.877 1.00 0.00 H new ATOM 0 HA ILE B 39 -4.703 4.437 -9.579 1.00 0.00 H new ATOM 0 HB ILE B 39 -6.864 3.779 -11.583 1.00 0.00 H new ATOM 0 HG12 ILE B 39 -5.467 5.290 -13.084 1.00 0.00 H new ATOM 0 HG13 ILE B 39 -4.321 5.474 -11.770 1.00 0.00 H new ATOM 0 HG21 ILE B 39 -7.356 6.206 -11.930 1.00 0.00 H new ATOM 0 HG22 ILE B 39 -7.858 5.629 -10.323 1.00 0.00 H new ATOM 0 HG23 ILE B 39 -6.369 6.589 -10.499 1.00 0.00 H new ATOM 0 HD11 ILE B 39 -3.536 3.842 -13.396 1.00 0.00 H new ATOM 0 HD12 ILE B 39 -3.848 3.060 -11.827 1.00 0.00 H new ATOM 0 HD13 ILE B 39 -5.011 2.874 -13.161 1.00 0.00 H new ATOM 1587 N HIS B 40 -7.734 3.356 -8.644 1.00 0.00 N ATOM 1588 CA HIS B 40 -8.795 3.483 -7.609 1.00 0.00 C ATOM 1589 C HIS B 40 -8.204 3.374 -6.191 1.00 0.00 C ATOM 1590 O HIS B 40 -8.544 4.174 -5.287 1.00 0.00 O ATOM 1591 CB HIS B 40 -9.928 2.435 -7.819 1.00 0.00 C ATOM 1592 CG HIS B 40 -10.895 2.775 -8.936 1.00 0.00 C ATOM 1593 ND1 HIS B 40 -11.618 3.947 -8.967 1.00 0.00 N ATOM 1594 CD2 HIS B 40 -11.276 2.082 -10.033 1.00 0.00 C ATOM 1595 CE1 HIS B 40 -12.395 3.958 -10.033 1.00 0.00 C ATOM 1596 NE2 HIS B 40 -12.205 2.836 -10.695 1.00 0.00 N ATOM 0 H HIS B 40 -7.903 2.610 -9.319 1.00 0.00 H new ATOM 0 HA HIS B 40 -9.237 4.474 -7.717 1.00 0.00 H new ATOM 0 HB2 HIS B 40 -9.476 1.466 -8.029 1.00 0.00 H new ATOM 0 HB3 HIS B 40 -10.487 2.331 -6.889 1.00 0.00 H new ATOM 0 HD1 HIS B 40 -11.561 4.692 -8.272 1.00 0.00 H new ATOM 0 HD2 HIS B 40 -10.913 1.110 -10.332 1.00 0.00 H new ATOM 0 HE1 HIS B 40 -13.071 4.752 -10.314 1.00 0.00 H new ATOM 1605 N ALA B 41 -7.294 2.405 -6.016 1.00 0.00 N ATOM 1606 CA ALA B 41 -6.546 2.241 -4.775 1.00 0.00 C ATOM 1607 C ALA B 41 -5.762 3.529 -4.457 1.00 0.00 C ATOM 1608 O ALA B 41 -5.967 4.130 -3.409 1.00 0.00 O ATOM 1609 CB ALA B 41 -5.626 1.011 -4.873 1.00 0.00 C ATOM 0 H ALA B 41 -7.061 1.718 -6.733 1.00 0.00 H new ATOM 0 HA ALA B 41 -7.237 2.067 -3.950 1.00 0.00 H new ATOM 0 HB1 ALA B 41 -5.071 0.896 -3.942 1.00 0.00 H new ATOM 0 HB2 ALA B 41 -6.228 0.119 -5.049 1.00 0.00 H new ATOM 0 HB3 ALA B 41 -4.926 1.145 -5.698 1.00 0.00 H new ATOM 1615 N ILE B 42 -4.942 3.991 -5.411 1.00 0.00 N ATOM 1616 CA ILE B 42 -4.148 5.237 -5.271 1.00 0.00 C ATOM 1617 C ILE B 42 -5.044 6.453 -4.947 1.00 0.00 C ATOM 1618 O ILE B 42 -4.616 7.367 -4.241 1.00 0.00 O ATOM 1619 CB ILE B 42 -3.335 5.528 -6.576 1.00 0.00 C ATOM 1620 CG1 ILE B 42 -2.402 4.339 -6.901 1.00 0.00 C ATOM 1621 CG2 ILE B 42 -2.526 6.842 -6.463 1.00 0.00 C ATOM 1622 CD1 ILE B 42 -1.840 4.343 -8.291 1.00 0.00 C ATOM 0 H ILE B 42 -4.805 3.518 -6.304 1.00 0.00 H new ATOM 0 HA ILE B 42 -3.460 5.083 -4.440 1.00 0.00 H new ATOM 0 HB ILE B 42 -4.046 5.652 -7.393 1.00 0.00 H new ATOM 0 HG12 ILE B 42 -1.576 4.339 -6.190 1.00 0.00 H new ATOM 0 HG13 ILE B 42 -2.953 3.411 -6.750 1.00 0.00 H new ATOM 0 HG21 ILE B 42 -1.975 7.010 -7.388 1.00 0.00 H new ATOM 0 HG22 ILE B 42 -3.207 7.675 -6.290 1.00 0.00 H new ATOM 0 HG23 ILE B 42 -1.825 6.768 -5.631 1.00 0.00 H new ATOM 0 HD11 ILE B 42 -1.198 3.472 -8.427 1.00 0.00 H new ATOM 0 HD12 ILE B 42 -2.656 4.309 -9.013 1.00 0.00 H new ATOM 0 HD13 ILE B 42 -1.257 5.251 -8.445 1.00 0.00 H new ATOM 1634 N GLU B 43 -6.296 6.429 -5.436 1.00 0.00 N ATOM 1635 CA GLU B 43 -7.251 7.526 -5.216 1.00 0.00 C ATOM 1636 C GLU B 43 -7.564 7.672 -3.726 1.00 0.00 C ATOM 1637 O GLU B 43 -7.745 8.793 -3.262 1.00 0.00 O ATOM 1638 CB GLU B 43 -8.558 7.350 -6.030 1.00 0.00 C ATOM 1639 CG GLU B 43 -8.410 7.564 -7.545 1.00 0.00 C ATOM 1640 CD GLU B 43 -9.733 7.399 -8.309 1.00 0.00 C ATOM 1641 OE1 GLU B 43 -10.574 8.330 -8.272 1.00 0.00 O ATOM 1642 OE2 GLU B 43 -9.955 6.340 -8.934 1.00 0.00 O ATOM 0 H GLU B 43 -6.670 5.658 -5.989 1.00 0.00 H new ATOM 0 HA GLU B 43 -6.775 8.439 -5.574 1.00 0.00 H new ATOM 0 HB2 GLU B 43 -8.945 6.346 -5.856 1.00 0.00 H new ATOM 0 HB3 GLU B 43 -9.303 8.049 -5.650 1.00 0.00 H new ATOM 0 HG2 GLU B 43 -8.014 8.563 -7.728 1.00 0.00 H new ATOM 0 HG3 GLU B 43 -7.680 6.855 -7.937 1.00 0.00 H new ATOM 1649 N SER B 44 -7.582 6.534 -2.981 1.00 0.00 N ATOM 1650 CA SER B 44 -7.669 6.553 -1.497 1.00 0.00 C ATOM 1651 C SER B 44 -6.579 7.435 -0.882 1.00 0.00 C ATOM 1652 O SER B 44 -6.837 8.196 0.067 1.00 0.00 O ATOM 1653 CB SER B 44 -7.514 5.131 -0.914 1.00 0.00 C ATOM 1654 OG SER B 44 -8.664 4.343 -1.166 1.00 0.00 O ATOM 0 H SER B 44 -7.538 5.597 -3.382 1.00 0.00 H new ATOM 0 HA SER B 44 -8.651 6.956 -1.250 1.00 0.00 H new ATOM 0 HB2 SER B 44 -6.638 4.650 -1.350 1.00 0.00 H new ATOM 0 HB3 SER B 44 -7.341 5.193 0.160 1.00 0.00 H new ATOM 0 HG SER B 44 -9.053 4.051 -0.315 1.00 0.00 H new ATOM 1660 N ILE B 45 -5.365 7.328 -1.450 1.00 0.00 N ATOM 1661 CA ILE B 45 -4.197 8.007 -0.911 1.00 0.00 C ATOM 1662 C ILE B 45 -4.349 9.519 -1.125 1.00 0.00 C ATOM 1663 O ILE B 45 -4.125 10.325 -0.210 1.00 0.00 O ATOM 1664 CB ILE B 45 -2.818 7.520 -1.531 1.00 0.00 C ATOM 1665 CG1 ILE B 45 -2.803 5.991 -1.869 1.00 0.00 C ATOM 1666 CG2 ILE B 45 -1.696 7.825 -0.528 1.00 0.00 C ATOM 1667 CD1 ILE B 45 -2.731 5.068 -0.674 1.00 0.00 C ATOM 0 H ILE B 45 -5.178 6.773 -2.285 1.00 0.00 H new ATOM 0 HA ILE B 45 -4.157 7.757 0.149 1.00 0.00 H new ATOM 0 HB ILE B 45 -2.673 8.054 -2.470 1.00 0.00 H new ATOM 0 HG12 ILE B 45 -3.701 5.752 -2.439 1.00 0.00 H new ATOM 0 HG13 ILE B 45 -1.951 5.787 -2.517 1.00 0.00 H new ATOM 0 HG21 ILE B 45 -0.741 7.496 -0.939 1.00 0.00 H new ATOM 0 HG22 ILE B 45 -1.659 8.898 -0.338 1.00 0.00 H new ATOM 0 HG23 ILE B 45 -1.890 7.298 0.406 1.00 0.00 H new ATOM 0 HD11 ILE B 45 -2.726 4.032 -1.014 1.00 0.00 H new ATOM 0 HD12 ILE B 45 -1.819 5.270 -0.113 1.00 0.00 H new ATOM 0 HD13 ILE B 45 -3.596 5.235 -0.033 1.00 0.00 H new ATOM 1679 N LYS B 46 -4.764 9.880 -2.349 1.00 0.00 N ATOM 1680 CA LYS B 46 -4.899 11.284 -2.793 1.00 0.00 C ATOM 1681 C LYS B 46 -5.950 12.064 -1.984 1.00 0.00 C ATOM 1682 O LYS B 46 -5.896 13.298 -1.923 1.00 0.00 O ATOM 1683 CB LYS B 46 -5.234 11.358 -4.322 1.00 0.00 C ATOM 1684 CG LYS B 46 -4.480 10.357 -5.250 1.00 0.00 C ATOM 1685 CD LYS B 46 -2.969 10.190 -4.934 1.00 0.00 C ATOM 1686 CE LYS B 46 -2.136 11.441 -5.195 1.00 0.00 C ATOM 1687 NZ LYS B 46 -2.123 11.809 -6.629 1.00 0.00 N ATOM 0 H LYS B 46 -5.019 9.203 -3.068 1.00 0.00 H new ATOM 0 HA LYS B 46 -3.934 11.758 -2.614 1.00 0.00 H new ATOM 0 HB2 LYS B 46 -6.305 11.196 -4.445 1.00 0.00 H new ATOM 0 HB3 LYS B 46 -5.023 12.370 -4.669 1.00 0.00 H new ATOM 0 HG2 LYS B 46 -4.962 9.382 -5.178 1.00 0.00 H new ATOM 0 HG3 LYS B 46 -4.587 10.689 -6.283 1.00 0.00 H new ATOM 0 HD2 LYS B 46 -2.857 9.904 -3.888 1.00 0.00 H new ATOM 0 HD3 LYS B 46 -2.572 9.371 -5.533 1.00 0.00 H new ATOM 0 HE2 LYS B 46 -2.535 12.271 -4.611 1.00 0.00 H new ATOM 0 HE3 LYS B 46 -1.114 11.274 -4.854 1.00 0.00 H new ATOM 0 HZ1 LYS B 46 -1.479 12.612 -6.775 1.00 0.00 H new ATOM 0 HZ2 LYS B 46 -1.798 10.998 -7.193 1.00 0.00 H new ATOM 0 HZ3 LYS B 46 -3.083 12.076 -6.928 1.00 0.00 H new ATOM 1701 N ARG B 47 -6.899 11.333 -1.378 1.00 0.00 N ATOM 1702 CA ARG B 47 -8.007 11.945 -0.608 1.00 0.00 C ATOM 1703 C ARG B 47 -7.489 12.653 0.670 1.00 0.00 C ATOM 1704 O ARG B 47 -7.682 13.863 0.840 1.00 0.00 O ATOM 1705 CB ARG B 47 -9.105 10.905 -0.218 1.00 0.00 C ATOM 1706 CG ARG B 47 -9.747 10.114 -1.375 1.00 0.00 C ATOM 1707 CD ARG B 47 -10.100 10.976 -2.602 1.00 0.00 C ATOM 1708 NE ARG B 47 -11.085 12.040 -2.323 1.00 0.00 N ATOM 1709 CZ ARG B 47 -11.450 12.995 -3.196 1.00 0.00 C ATOM 1710 NH1 ARG B 47 -10.931 13.038 -4.419 1.00 0.00 N ATOM 1711 NH2 ARG B 47 -12.339 13.905 -2.844 1.00 0.00 N ATOM 0 H ARG B 47 -6.926 10.314 -1.403 1.00 0.00 H new ATOM 0 HA ARG B 47 -8.458 12.686 -1.268 1.00 0.00 H new ATOM 0 HB2 ARG B 47 -8.667 10.192 0.480 1.00 0.00 H new ATOM 0 HB3 ARG B 47 -9.897 11.430 0.317 1.00 0.00 H new ATOM 0 HG2 ARG B 47 -9.064 9.323 -1.684 1.00 0.00 H new ATOM 0 HG3 ARG B 47 -10.653 9.629 -1.011 1.00 0.00 H new ATOM 0 HD2 ARG B 47 -9.188 11.431 -2.988 1.00 0.00 H new ATOM 0 HD3 ARG B 47 -10.491 10.329 -3.388 1.00 0.00 H new ATOM 0 HE ARG B 47 -11.520 12.051 -1.401 1.00 0.00 H new ATOM 0 HH11 ARG B 47 -10.245 12.340 -4.707 1.00 0.00 H new ATOM 0 HH12 ARG B 47 -11.218 13.769 -5.070 1.00 0.00 H new ATOM 0 HH21 ARG B 47 -12.749 13.883 -1.910 1.00 0.00 H new ATOM 0 HH22 ARG B 47 -12.616 14.630 -3.506 1.00 0.00 H new ATOM 1725 N ASN B 48 -6.799 11.888 1.540 1.00 0.00 N ATOM 1726 CA ASN B 48 -6.493 12.349 2.926 1.00 0.00 C ATOM 1727 C ASN B 48 -5.430 11.462 3.629 1.00 0.00 C ATOM 1728 O ASN B 48 -5.274 11.532 4.840 1.00 0.00 O ATOM 1729 CB ASN B 48 -7.812 12.405 3.771 1.00 0.00 C ATOM 1730 CG ASN B 48 -7.686 13.143 5.116 1.00 0.00 C ATOM 1731 OD1 ASN B 48 -6.999 14.158 5.225 1.00 0.00 O ATOM 1732 ND2 ASN B 48 -8.314 12.609 6.152 1.00 0.00 N ATOM 0 H ASN B 48 -6.443 10.958 1.319 1.00 0.00 H new ATOM 0 HA ASN B 48 -6.065 13.348 2.851 1.00 0.00 H new ATOM 0 HB2 ASN B 48 -8.587 12.890 3.177 1.00 0.00 H new ATOM 0 HB3 ASN B 48 -8.148 11.386 3.962 1.00 0.00 H new ATOM 0 HD21 ASN B 48 -8.236 13.040 7.073 1.00 0.00 H new ATOM 0 HD22 ASN B 48 -8.876 11.767 6.029 1.00 0.00 H new ATOM 1739 N SER B 49 -4.680 10.648 2.871 1.00 0.00 N ATOM 1740 CA SER B 49 -3.759 9.642 3.464 1.00 0.00 C ATOM 1741 C SER B 49 -2.570 10.285 4.210 1.00 0.00 C ATOM 1742 O SER B 49 -2.077 9.724 5.201 1.00 0.00 O ATOM 1743 CB SER B 49 -3.247 8.698 2.393 1.00 0.00 C ATOM 1744 OG SER B 49 -2.528 7.615 2.939 1.00 0.00 O ATOM 0 H SER B 49 -4.686 10.659 1.851 1.00 0.00 H new ATOM 0 HA SER B 49 -4.338 9.085 4.201 1.00 0.00 H new ATOM 0 HB2 SER B 49 -4.088 8.318 1.813 1.00 0.00 H new ATOM 0 HB3 SER B 49 -2.606 9.247 1.703 1.00 0.00 H new ATOM 0 HG SER B 49 -3.156 6.938 3.267 1.00 0.00 H new ATOM 1750 N ALA B 50 -2.100 11.446 3.721 1.00 0.00 N ATOM 1751 CA ALA B 50 -1.085 12.251 4.425 1.00 0.00 C ATOM 1752 C ALA B 50 -1.602 12.745 5.800 1.00 0.00 C ATOM 1753 O ALA B 50 -0.822 12.906 6.749 1.00 0.00 O ATOM 1754 CB ALA B 50 -0.632 13.420 3.537 1.00 0.00 C ATOM 0 H ALA B 50 -2.409 11.850 2.837 1.00 0.00 H new ATOM 0 HA ALA B 50 -0.221 11.617 4.625 1.00 0.00 H new ATOM 0 HB1 ALA B 50 0.118 14.009 4.065 1.00 0.00 H new ATOM 0 HB2 ALA B 50 -0.203 13.031 2.614 1.00 0.00 H new ATOM 0 HB3 ALA B 50 -1.489 14.051 3.301 1.00 0.00 H new ATOM 1760 N GLY B 51 -2.931 12.969 5.887 1.00 0.00 N ATOM 1761 CA GLY B 51 -3.602 13.362 7.135 1.00 0.00 C ATOM 1762 C GLY B 51 -4.280 12.201 7.864 1.00 0.00 C ATOM 1763 O GLY B 51 -4.906 12.413 8.913 1.00 0.00 O ATOM 0 H GLY B 51 -3.564 12.881 5.092 1.00 0.00 H new ATOM 0 HA2 GLY B 51 -2.871 13.819 7.801 1.00 0.00 H new ATOM 0 HA3 GLY B 51 -4.349 14.124 6.911 1.00 0.00 H new ATOM 1767 N ALA B 52 -4.177 10.976 7.298 1.00 0.00 N ATOM 1768 CA ALA B 52 -4.706 9.741 7.918 1.00 0.00 C ATOM 1769 C ALA B 52 -3.968 9.404 9.226 1.00 0.00 C ATOM 1770 O ALA B 52 -2.927 9.990 9.532 1.00 0.00 O ATOM 1771 CB ALA B 52 -4.606 8.565 6.926 1.00 0.00 C ATOM 0 H ALA B 52 -3.724 10.817 6.398 1.00 0.00 H new ATOM 0 HA ALA B 52 -5.754 9.912 8.165 1.00 0.00 H new ATOM 0 HB1 ALA B 52 -4.998 7.661 7.392 1.00 0.00 H new ATOM 0 HB2 ALA B 52 -5.186 8.793 6.032 1.00 0.00 H new ATOM 0 HB3 ALA B 52 -3.563 8.408 6.651 1.00 0.00 H new ATOM 1777 N ASP B 53 -4.524 8.465 9.999 1.00 0.00 N ATOM 1778 CA ASP B 53 -3.891 7.958 11.235 1.00 0.00 C ATOM 1779 C ASP B 53 -2.973 6.768 10.896 1.00 0.00 C ATOM 1780 O ASP B 53 -3.117 6.134 9.843 1.00 0.00 O ATOM 1781 CB ASP B 53 -4.993 7.562 12.259 1.00 0.00 C ATOM 1782 CG ASP B 53 -4.466 6.891 13.549 1.00 0.00 C ATOM 1783 OD1 ASP B 53 -3.802 7.582 14.358 1.00 0.00 O ATOM 1784 OD2 ASP B 53 -4.710 5.677 13.754 1.00 0.00 O ATOM 0 H ASP B 53 -5.424 8.032 9.791 1.00 0.00 H new ATOM 0 HA ASP B 53 -3.276 8.736 11.687 1.00 0.00 H new ATOM 0 HB2 ASP B 53 -5.553 8.456 12.533 1.00 0.00 H new ATOM 0 HB3 ASP B 53 -5.694 6.883 11.773 1.00 0.00 H new ATOM 1789 N THR B 54 -1.992 6.510 11.759 1.00 0.00 N ATOM 1790 CA THR B 54 -1.113 5.342 11.655 1.00 0.00 C ATOM 1791 C THR B 54 -1.154 4.556 12.984 1.00 0.00 C ATOM 1792 O THR B 54 -0.759 5.068 14.037 1.00 0.00 O ATOM 1793 CB THR B 54 0.334 5.790 11.275 1.00 0.00 C ATOM 1794 OG1 THR B 54 0.272 6.578 10.067 1.00 0.00 O ATOM 1795 CG2 THR B 54 1.284 4.600 11.043 1.00 0.00 C ATOM 0 H THR B 54 -1.781 7.109 12.557 1.00 0.00 H new ATOM 0 HA THR B 54 -1.459 4.679 10.862 1.00 0.00 H new ATOM 0 HB THR B 54 0.730 6.367 12.111 1.00 0.00 H new ATOM 0 HG1 THR B 54 1.175 6.867 9.818 1.00 0.00 H new ATOM 0 HG21 THR B 54 2.275 4.971 10.782 1.00 0.00 H new ATOM 0 HG22 THR B 54 1.348 4.003 11.953 1.00 0.00 H new ATOM 0 HG23 THR B 54 0.902 3.983 10.230 1.00 0.00 H new ATOM 1803 N VAL B 55 -1.649 3.309 12.906 1.00 0.00 N ATOM 1804 CA VAL B 55 -1.945 2.460 14.079 1.00 0.00 C ATOM 1805 C VAL B 55 -1.338 1.057 13.909 1.00 0.00 C ATOM 1806 O VAL B 55 -1.404 0.471 12.822 1.00 0.00 O ATOM 1807 CB VAL B 55 -3.504 2.353 14.335 1.00 0.00 C ATOM 1808 CG1 VAL B 55 -4.266 1.863 13.079 1.00 0.00 C ATOM 1809 CG2 VAL B 55 -3.827 1.462 15.568 1.00 0.00 C ATOM 0 H VAL B 55 -1.858 2.854 12.017 1.00 0.00 H new ATOM 0 HA VAL B 55 -1.489 2.934 14.948 1.00 0.00 H new ATOM 0 HB VAL B 55 -3.854 3.362 14.556 1.00 0.00 H new ATOM 0 HG11 VAL B 55 -5.332 1.804 13.300 1.00 0.00 H new ATOM 0 HG12 VAL B 55 -4.103 2.562 12.259 1.00 0.00 H new ATOM 0 HG13 VAL B 55 -3.900 0.877 12.793 1.00 0.00 H new ATOM 0 HG21 VAL B 55 -4.907 1.414 15.710 1.00 0.00 H new ATOM 0 HG22 VAL B 55 -3.438 0.457 15.403 1.00 0.00 H new ATOM 0 HG23 VAL B 55 -3.363 1.889 16.457 1.00 0.00 H new ATOM 1819 N ASP B 56 -0.747 0.538 15.002 1.00 0.00 N ATOM 1820 CA ASP B 56 -0.172 -0.809 15.045 1.00 0.00 C ATOM 1821 C ASP B 56 -1.126 -1.764 15.780 1.00 0.00 C ATOM 1822 O ASP B 56 -1.415 -1.585 16.969 1.00 0.00 O ATOM 1823 CB ASP B 56 1.206 -0.799 15.738 1.00 0.00 C ATOM 1824 CG ASP B 56 1.954 -2.127 15.562 1.00 0.00 C ATOM 1825 OD1 ASP B 56 1.698 -3.058 16.329 1.00 0.00 O ATOM 1826 OD2 ASP B 56 2.814 -2.231 14.663 1.00 0.00 O ATOM 0 H ASP B 56 -0.657 1.048 15.881 1.00 0.00 H new ATOM 0 HA ASP B 56 -0.035 -1.156 14.021 1.00 0.00 H new ATOM 0 HB2 ASP B 56 1.809 0.012 15.331 1.00 0.00 H new ATOM 0 HB3 ASP B 56 1.075 -0.596 16.801 1.00 0.00 H new ATOM 1831 N LEU B 57 -1.622 -2.749 15.040 1.00 0.00 N ATOM 1832 CA LEU B 57 -2.453 -3.833 15.558 1.00 0.00 C ATOM 1833 C LEU B 57 -1.615 -4.958 16.206 1.00 0.00 C ATOM 1834 O LEU B 57 -2.121 -5.632 17.087 1.00 0.00 O ATOM 1835 CB LEU B 57 -3.355 -4.407 14.419 1.00 0.00 C ATOM 1836 CG LEU B 57 -4.520 -3.483 13.930 1.00 0.00 C ATOM 1837 CD1 LEU B 57 -5.459 -3.108 15.087 1.00 0.00 C ATOM 1838 CD2 LEU B 57 -4.001 -2.219 13.223 1.00 0.00 C ATOM 0 H LEU B 57 -1.454 -2.819 14.036 1.00 0.00 H new ATOM 0 HA LEU B 57 -3.084 -3.415 16.343 1.00 0.00 H new ATOM 0 HB2 LEU B 57 -2.721 -4.640 13.564 1.00 0.00 H new ATOM 0 HB3 LEU B 57 -3.785 -5.348 14.763 1.00 0.00 H new ATOM 0 HG LEU B 57 -5.088 -4.057 13.198 1.00 0.00 H new ATOM 0 HD11 LEU B 57 -6.257 -2.466 14.714 1.00 0.00 H new ATOM 0 HD12 LEU B 57 -5.891 -4.014 15.513 1.00 0.00 H new ATOM 0 HD13 LEU B 57 -4.896 -2.578 15.855 1.00 0.00 H new ATOM 0 HD21 LEU B 57 -4.845 -1.609 12.902 1.00 0.00 H new ATOM 0 HD22 LEU B 57 -3.381 -1.646 13.912 1.00 0.00 H new ATOM 0 HD23 LEU B 57 -3.409 -2.505 12.354 1.00 0.00 H new ATOM 1850 N THR B 58 -0.325 -5.139 15.838 1.00 0.00 N ATOM 1851 CA THR B 58 0.455 -6.336 16.292 1.00 0.00 C ATOM 1852 C THR B 58 1.148 -6.070 17.657 1.00 0.00 C ATOM 1853 O THR B 58 2.035 -6.824 18.080 1.00 0.00 O ATOM 1854 CB THR B 58 1.480 -6.828 15.200 1.00 0.00 C ATOM 1855 OG1 THR B 58 2.055 -8.098 15.568 1.00 0.00 O ATOM 1856 CG2 THR B 58 2.614 -5.826 14.932 1.00 0.00 C ATOM 0 H THR B 58 0.196 -4.495 15.243 1.00 0.00 H new ATOM 0 HA THR B 58 -0.257 -7.149 16.437 1.00 0.00 H new ATOM 0 HB THR B 58 0.902 -6.927 14.281 1.00 0.00 H new ATOM 0 HG1 THR B 58 2.245 -8.105 16.529 1.00 0.00 H new ATOM 0 HG21 THR B 58 3.282 -6.228 14.171 1.00 0.00 H new ATOM 0 HG22 THR B 58 2.192 -4.883 14.583 1.00 0.00 H new ATOM 0 HG23 THR B 58 3.173 -5.655 15.852 1.00 0.00 H new ATOM 1864 N THR B 59 0.688 -5.019 18.368 1.00 0.00 N ATOM 1865 CA THR B 59 1.101 -4.699 19.749 1.00 0.00 C ATOM 1866 C THR B 59 -0.152 -4.632 20.655 1.00 0.00 C ATOM 1867 O THR B 59 -0.115 -4.069 21.759 1.00 0.00 O ATOM 1868 CB THR B 59 1.904 -3.348 19.820 1.00 0.00 C ATOM 1869 OG1 THR B 59 1.157 -2.299 19.183 1.00 0.00 O ATOM 1870 CG2 THR B 59 3.302 -3.455 19.173 1.00 0.00 C ATOM 0 H THR B 59 0.008 -4.359 17.991 1.00 0.00 H new ATOM 0 HA THR B 59 1.767 -5.487 20.100 1.00 0.00 H new ATOM 0 HB THR B 59 2.049 -3.118 20.875 1.00 0.00 H new ATOM 0 HG1 THR B 59 1.213 -2.402 18.210 1.00 0.00 H new ATOM 0 HG21 THR B 59 3.813 -2.495 19.250 1.00 0.00 H new ATOM 0 HG22 THR B 59 3.884 -4.218 19.689 1.00 0.00 H new ATOM 0 HG23 THR B 59 3.197 -3.727 18.123 1.00 0.00 H new