USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 602 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 40 CYS SG : rot -155:sc= 0.794 USER MOD Set 1.2: A 43 CYS SG : rot -91:sc= -0.876 USER MOD Set 1.3: A 70 CYS SG : rot -88:sc= 1.31 USER MOD Set 1.4: A 73 CYS SG : rot 20:sc= -0.903 USER MOD Set 2.1: A 29 CYS SG : rot -100:sc= -1.35! USER MOD Set 2.2: A 48 CYS SG : rot -143:sc= 0.0873 USER MOD Set 3.1: A 24 CYS SG : rot -144:sc= -1.27 USER MOD Set 3.2: A 27 CYS SG : rot 180:sc= -0.997 USER MOD Set 3.3: A 51 CYS SG : rot 107:sc= 1.62 USER MOD Set 4.1: A 16 GLN : amide:sc= -3.21! C(o=-5.1!,f=-7.2!) USER MOD Set 4.2: A 25 ASN : amide:sc= -1.93 K(o=-5.1,f=-6.8!) USER MOD Set 5.1: A 10 GLN : amide:sc= -0.933! K(o=-0.82!,f=-0.26) USER MOD Set 5.2: A 12 LYS NZ :NH3+ -129:sc= 0.115 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ -130:sc= 0.0693 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 MET CE :methyl 167:sc= 0 (180deg=-0.185) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HE2:sc= -0.171 X(o=-0.17,f=-0.55) USER MOD Single : A 39 HIS : no HD1:sc= -3.28! C(o=-3.3!,f=-2.1!) USER MOD Single : A 42 ASN : amide:sc= -20.6! C(o=-21!,f=-24!) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot -84:sc= 1.25 USER MOD Single : A 54 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 60 MET CE :methyl -132:sc= -2.08 (180deg=-3.1!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= -0.0436 USER MOD Single : A 80 SER OG : rot 82:sc= 0.243 USER MOD Single : A 81 ASN : amide:sc= -0.0629 K(o=-0.063,f=-2.7) USER MOD Single : A 82 MET CE :methyl -164:sc= -0.121 (180deg=-0.541) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.704 16.136 -5.501 1.00 0.00 N ATOM 2 CA GLY A 1 -9.361 15.575 -5.186 1.00 0.00 C ATOM 3 C GLY A 1 -8.983 15.754 -3.729 1.00 0.00 C ATOM 4 O GLY A 1 -9.802 16.189 -2.920 1.00 0.00 O ATOM 0 H1 GLY A 1 -11.266 15.425 -6.012 1.00 0.00 H new ATOM 0 H2 GLY A 1 -11.189 16.391 -4.617 1.00 0.00 H new ATOM 0 H3 GLY A 1 -10.596 16.983 -6.094 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.347 14.514 -5.434 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.613 16.058 -5.814 1.00 0.00 H new ATOM 10 N PRO A 2 -7.735 15.424 -3.366 1.00 0.00 N ATOM 11 CA PRO A 2 -7.247 15.553 -1.989 1.00 0.00 C ATOM 12 C PRO A 2 -7.337 16.985 -1.475 1.00 0.00 C ATOM 13 O PRO A 2 -7.140 17.938 -2.230 1.00 0.00 O ATOM 14 CB PRO A 2 -5.779 15.109 -2.074 1.00 0.00 C ATOM 15 CG PRO A 2 -5.430 15.184 -3.523 1.00 0.00 C ATOM 16 CD PRO A 2 -6.701 14.903 -4.271 1.00 0.00 C ATOM 0 HA PRO A 2 -7.842 14.959 -1.295 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -5.136 15.759 -1.480 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -5.651 14.097 -1.690 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -5.036 16.168 -3.779 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -4.659 14.456 -3.777 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -6.720 15.405 -5.238 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -6.831 13.838 -4.462 1.00 0.00 H new ATOM 24 N LEU A 3 -7.634 17.133 -0.188 1.00 0.00 N ATOM 25 CA LEU A 3 -7.746 18.452 0.422 1.00 0.00 C ATOM 26 C LEU A 3 -6.428 19.209 0.307 1.00 0.00 C ATOM 27 O LEU A 3 -6.410 20.429 0.151 1.00 0.00 O ATOM 28 CB LEU A 3 -8.150 18.328 1.891 1.00 0.00 C ATOM 29 CG LEU A 3 -9.459 17.578 2.142 1.00 0.00 C ATOM 30 CD1 LEU A 3 -9.884 17.715 3.596 1.00 0.00 C ATOM 31 CD2 LEU A 3 -10.550 18.088 1.214 1.00 0.00 C ATOM 0 H LEU A 3 -7.801 16.356 0.452 1.00 0.00 H new ATOM 0 HA LEU A 3 -8.517 19.009 -0.110 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -7.350 17.821 2.430 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -8.236 19.329 2.314 1.00 0.00 H new ATOM 0 HG LEU A 3 -9.296 16.521 1.933 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -10.817 17.175 3.755 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -9.110 17.300 4.242 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -10.030 18.769 3.835 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -11.475 17.544 1.406 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -10.711 19.151 1.392 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -10.247 17.935 0.178 1.00 0.00 H new ATOM 43 N GLY A 4 -5.326 18.472 0.384 1.00 0.00 N ATOM 44 CA GLY A 4 -4.014 19.080 0.285 1.00 0.00 C ATOM 45 C GLY A 4 -2.906 18.047 0.217 1.00 0.00 C ATOM 46 O GLY A 4 -3.173 16.848 0.142 1.00 0.00 O ATOM 0 H GLY A 4 -5.319 17.460 0.514 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -3.974 19.711 -0.603 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -3.851 19.729 1.145 1.00 0.00 H new ATOM 50 N SER A 5 -1.662 18.511 0.245 1.00 0.00 N ATOM 51 CA SER A 5 -0.516 17.612 0.187 1.00 0.00 C ATOM 52 C SER A 5 -0.517 16.665 1.381 1.00 0.00 C ATOM 53 O SER A 5 -0.009 15.546 1.301 1.00 0.00 O ATOM 54 CB SER A 5 0.785 18.415 0.160 1.00 0.00 C ATOM 55 OG SER A 5 1.020 19.051 1.404 1.00 0.00 O ATOM 0 H SER A 5 -1.422 19.500 0.307 1.00 0.00 H new ATOM 0 HA SER A 5 -0.589 17.022 -0.727 1.00 0.00 H new ATOM 0 HB2 SER A 5 1.619 17.754 -0.077 1.00 0.00 H new ATOM 0 HB3 SER A 5 0.737 19.164 -0.631 1.00 0.00 H new ATOM 0 HG SER A 5 1.859 19.556 1.360 1.00 0.00 H new ATOM 61 N MET A 6 -1.093 17.123 2.488 1.00 0.00 N ATOM 62 CA MET A 6 -1.165 16.323 3.704 1.00 0.00 C ATOM 63 C MET A 6 -1.943 15.033 3.467 1.00 0.00 C ATOM 64 O MET A 6 -1.623 13.991 4.038 1.00 0.00 O ATOM 65 CB MET A 6 -1.822 17.128 4.827 1.00 0.00 C ATOM 66 CG MET A 6 -1.015 18.343 5.256 1.00 0.00 C ATOM 67 SD MET A 6 -1.711 19.164 6.703 1.00 0.00 S ATOM 68 CE MET A 6 -1.266 18.009 7.997 1.00 0.00 C ATOM 0 H MET A 6 -1.518 18.047 2.567 1.00 0.00 H new ATOM 0 HA MET A 6 -0.148 16.061 3.996 1.00 0.00 H new ATOM 0 HB2 MET A 6 -2.809 17.455 4.499 1.00 0.00 H new ATOM 0 HB3 MET A 6 -1.971 16.478 5.689 1.00 0.00 H new ATOM 0 HG2 MET A 6 0.008 18.036 5.474 1.00 0.00 H new ATOM 0 HG3 MET A 6 -0.966 19.052 4.429 1.00 0.00 H new ATOM 0 HE1 MET A 6 -1.418 18.476 8.970 1.00 0.00 H new ATOM 0 HE2 MET A 6 -1.890 17.119 7.921 1.00 0.00 H new ATOM 0 HE3 MET A 6 -0.218 17.728 7.889 1.00 0.00 H new ATOM 78 N GLY A 7 -2.968 15.108 2.625 1.00 0.00 N ATOM 79 CA GLY A 7 -3.773 13.936 2.335 1.00 0.00 C ATOM 80 C GLY A 7 -2.942 12.768 1.846 1.00 0.00 C ATOM 81 O GLY A 7 -2.568 12.712 0.674 1.00 0.00 O ATOM 0 H GLY A 7 -3.255 15.958 2.139 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.316 13.641 3.233 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.518 14.189 1.581 1.00 0.00 H new ATOM 85 N GLU A 8 -2.651 11.831 2.744 1.00 0.00 N ATOM 86 CA GLU A 8 -1.858 10.658 2.395 1.00 0.00 C ATOM 87 C GLU A 8 -2.748 9.499 1.963 1.00 0.00 C ATOM 88 O GLU A 8 -2.284 8.366 1.837 1.00 0.00 O ATOM 89 CB GLU A 8 -0.973 10.235 3.568 1.00 0.00 C ATOM 90 CG GLU A 8 0.031 11.295 3.986 1.00 0.00 C ATOM 91 CD GLU A 8 0.957 10.820 5.087 1.00 0.00 C ATOM 92 OE1 GLU A 8 0.696 9.740 5.658 1.00 0.00 O ATOM 93 OE2 GLU A 8 1.946 11.527 5.378 1.00 0.00 O ATOM 0 H GLU A 8 -2.953 11.862 3.718 1.00 0.00 H new ATOM 0 HA GLU A 8 -1.219 10.929 1.554 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -1.607 9.991 4.421 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -0.437 9.325 3.298 1.00 0.00 H new ATOM 0 HG2 GLU A 8 0.624 11.590 3.120 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -0.503 12.183 4.324 1.00 0.00 H new ATOM 100 N LYS A 9 -4.022 9.789 1.710 1.00 0.00 N ATOM 101 CA LYS A 9 -4.955 8.762 1.263 1.00 0.00 C ATOM 102 C LYS A 9 -4.624 8.363 -0.173 1.00 0.00 C ATOM 103 O LYS A 9 -5.267 7.491 -0.758 1.00 0.00 O ATOM 104 CB LYS A 9 -6.396 9.272 1.353 1.00 0.00 C ATOM 105 CG LYS A 9 -6.851 9.567 2.773 1.00 0.00 C ATOM 106 CD LYS A 9 -8.311 9.994 2.814 1.00 0.00 C ATOM 107 CE LYS A 9 -8.741 10.381 4.220 1.00 0.00 C ATOM 108 NZ LYS A 9 -8.583 11.841 4.469 1.00 0.00 N ATOM 0 H LYS A 9 -4.428 10.720 1.806 1.00 0.00 H new ATOM 0 HA LYS A 9 -4.860 7.890 1.909 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -6.489 10.179 0.755 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -7.063 8.530 0.914 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -6.713 8.681 3.392 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -6.229 10.354 3.199 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -8.463 10.838 2.141 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -8.939 9.180 2.452 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -9.783 10.098 4.372 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -8.150 9.823 4.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -8.887 12.063 5.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -7.585 12.107 4.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -9.167 12.374 3.793 1.00 0.00 H new ATOM 122 N GLN A 10 -3.603 9.017 -0.724 1.00 0.00 N ATOM 123 CA GLN A 10 -3.145 8.763 -2.080 1.00 0.00 C ATOM 124 C GLN A 10 -2.249 7.529 -2.132 1.00 0.00 C ATOM 125 O GLN A 10 -1.248 7.447 -1.420 1.00 0.00 O ATOM 126 CB GLN A 10 -2.371 9.987 -2.572 1.00 0.00 C ATOM 127 CG GLN A 10 -1.646 9.774 -3.890 1.00 0.00 C ATOM 128 CD GLN A 10 -0.721 10.926 -4.248 1.00 0.00 C ATOM 129 OE1 GLN A 10 0.065 10.831 -5.190 1.00 0.00 O ATOM 130 NE2 GLN A 10 -0.810 12.025 -3.502 1.00 0.00 N ATOM 0 H GLN A 10 -3.072 9.739 -0.238 1.00 0.00 H new ATOM 0 HA GLN A 10 -4.008 8.579 -2.720 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -3.064 10.822 -2.681 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -1.644 10.273 -1.812 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -1.066 8.852 -3.835 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -2.379 9.643 -4.686 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -1.475 12.064 -2.729 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -0.213 12.828 -3.703 1.00 0.00 H new ATOM 139 N SER A 11 -2.609 6.572 -2.983 1.00 0.00 N ATOM 140 CA SER A 11 -1.828 5.347 -3.125 1.00 0.00 C ATOM 141 C SER A 11 -1.668 4.969 -4.595 1.00 0.00 C ATOM 142 O SER A 11 -2.591 5.138 -5.393 1.00 0.00 O ATOM 143 CB SER A 11 -2.495 4.201 -2.362 1.00 0.00 C ATOM 144 OG SER A 11 -3.710 3.815 -2.981 1.00 0.00 O ATOM 0 H SER A 11 -3.433 6.621 -3.582 1.00 0.00 H new ATOM 0 HA SER A 11 -0.838 5.527 -2.705 1.00 0.00 H new ATOM 0 HB2 SER A 11 -1.819 3.347 -2.318 1.00 0.00 H new ATOM 0 HB3 SER A 11 -2.688 4.508 -1.334 1.00 0.00 H new ATOM 0 HG SER A 11 -4.116 3.080 -2.475 1.00 0.00 H new ATOM 150 N LYS A 12 -0.493 4.453 -4.946 1.00 0.00 N ATOM 151 CA LYS A 12 -0.214 4.047 -6.319 1.00 0.00 C ATOM 152 C LYS A 12 0.153 2.566 -6.391 1.00 0.00 C ATOM 153 O LYS A 12 0.775 2.118 -7.354 1.00 0.00 O ATOM 154 CB LYS A 12 0.919 4.894 -6.902 1.00 0.00 C ATOM 155 CG LYS A 12 0.587 6.375 -6.989 1.00 0.00 C ATOM 156 CD LYS A 12 1.692 7.154 -7.684 1.00 0.00 C ATOM 157 CE LYS A 12 1.420 8.649 -7.662 1.00 0.00 C ATOM 158 NZ LYS A 12 2.365 9.373 -6.768 1.00 0.00 N ATOM 0 H LYS A 12 0.281 4.306 -4.298 1.00 0.00 H new ATOM 0 HA LYS A 12 -1.118 4.205 -6.907 1.00 0.00 H new ATOM 0 HB2 LYS A 12 1.811 4.765 -6.288 1.00 0.00 H new ATOM 0 HB3 LYS A 12 1.162 4.525 -7.899 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -0.349 6.508 -7.531 1.00 0.00 H new ATOM 0 HG3 LYS A 12 0.434 6.774 -5.986 1.00 0.00 H new ATOM 0 HD2 LYS A 12 2.645 6.950 -7.196 1.00 0.00 H new ATOM 0 HD3 LYS A 12 1.783 6.815 -8.716 1.00 0.00 H new ATOM 0 HE2 LYS A 12 1.500 9.047 -8.673 1.00 0.00 H new ATOM 0 HE3 LYS A 12 0.397 8.827 -7.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 1.829 9.979 -6.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 2.923 8.685 -6.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 3.004 9.961 -7.341 1.00 0.00 H new ATOM 172 N GLY A 13 -0.225 1.814 -5.362 1.00 0.00 N ATOM 173 CA GLY A 13 0.084 0.396 -5.324 1.00 0.00 C ATOM 174 C GLY A 13 -0.501 -0.374 -6.493 1.00 0.00 C ATOM 175 O GLY A 13 -1.647 -0.822 -6.439 1.00 0.00 O ATOM 0 H GLY A 13 -0.740 2.162 -4.553 1.00 0.00 H new ATOM 0 HA2 GLY A 13 1.166 0.267 -5.317 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -0.294 -0.027 -4.393 1.00 0.00 H new ATOM 179 N TYR A 14 0.292 -0.539 -7.548 1.00 0.00 N ATOM 180 CA TYR A 14 -0.155 -1.274 -8.727 1.00 0.00 C ATOM 181 C TYR A 14 -0.034 -2.776 -8.497 1.00 0.00 C ATOM 182 O TYR A 14 1.045 -3.281 -8.191 1.00 0.00 O ATOM 183 CB TYR A 14 0.666 -0.866 -9.949 1.00 0.00 C ATOM 184 CG TYR A 14 0.235 -1.557 -11.223 1.00 0.00 C ATOM 185 CD1 TYR A 14 -0.819 -1.064 -11.980 1.00 0.00 C ATOM 186 CD2 TYR A 14 0.880 -2.705 -11.662 1.00 0.00 C ATOM 187 CE1 TYR A 14 -1.218 -1.696 -13.143 1.00 0.00 C ATOM 188 CE2 TYR A 14 0.488 -3.343 -12.823 1.00 0.00 C ATOM 189 CZ TYR A 14 -0.561 -2.835 -13.559 1.00 0.00 C ATOM 190 OH TYR A 14 -0.956 -3.468 -14.716 1.00 0.00 O ATOM 0 H TYR A 14 1.243 -0.176 -7.611 1.00 0.00 H new ATOM 0 HA TYR A 14 -1.202 -1.030 -8.907 1.00 0.00 H new ATOM 0 HB2 TYR A 14 0.588 0.213 -10.086 1.00 0.00 H new ATOM 0 HB3 TYR A 14 1.717 -1.088 -9.762 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -1.335 -0.173 -11.655 1.00 0.00 H new ATOM 0 HD2 TYR A 14 1.701 -3.106 -11.087 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -2.039 -1.300 -13.722 1.00 0.00 H new ATOM 0 HE2 TYR A 14 1.001 -4.235 -13.152 1.00 0.00 H new ATOM 0 HH TYR A 14 -0.391 -4.254 -14.868 1.00 0.00 H new ATOM 200 N TRP A 15 -1.146 -3.482 -8.652 1.00 0.00 N ATOM 201 CA TRP A 15 -1.168 -4.932 -8.463 1.00 0.00 C ATOM 202 C TRP A 15 -0.912 -5.663 -9.780 1.00 0.00 C ATOM 203 O TRP A 15 -1.691 -5.546 -10.726 1.00 0.00 O ATOM 204 CB TRP A 15 -2.515 -5.370 -7.884 1.00 0.00 C ATOM 205 CG TRP A 15 -3.668 -5.123 -8.809 1.00 0.00 C ATOM 206 CD1 TRP A 15 -4.184 -5.993 -9.726 1.00 0.00 C ATOM 207 CD2 TRP A 15 -4.448 -3.926 -8.907 1.00 0.00 C ATOM 208 NE1 TRP A 15 -5.238 -5.411 -10.388 1.00 0.00 N ATOM 209 CE2 TRP A 15 -5.419 -4.142 -9.904 1.00 0.00 C ATOM 210 CE3 TRP A 15 -4.420 -2.694 -8.250 1.00 0.00 C ATOM 211 CZ2 TRP A 15 -6.352 -3.170 -10.257 1.00 0.00 C ATOM 212 CZ3 TRP A 15 -5.347 -1.730 -8.601 1.00 0.00 C ATOM 213 CH2 TRP A 15 -6.302 -1.973 -9.596 1.00 0.00 C ATOM 0 H TRP A 15 -2.046 -3.077 -8.908 1.00 0.00 H new ATOM 0 HA TRP A 15 -0.372 -5.191 -7.764 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -2.471 -6.433 -7.645 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -2.690 -4.840 -6.948 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -3.817 -6.993 -9.905 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -5.795 -5.852 -11.120 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -3.687 -2.498 -7.481 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -7.089 -3.354 -11.025 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -5.334 -0.774 -8.099 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -7.013 -1.200 -9.847 1.00 0.00 H new ATOM 224 N GLN A 16 0.169 -6.440 -9.824 1.00 0.00 N ATOM 225 CA GLN A 16 0.514 -7.217 -11.011 1.00 0.00 C ATOM 226 C GLN A 16 -0.292 -8.516 -11.038 1.00 0.00 C ATOM 227 O GLN A 16 -0.415 -9.209 -10.030 1.00 0.00 O ATOM 228 CB GLN A 16 2.017 -7.510 -11.041 1.00 0.00 C ATOM 229 CG GLN A 16 2.486 -8.196 -12.312 1.00 0.00 C ATOM 230 CD GLN A 16 3.983 -8.432 -12.321 1.00 0.00 C ATOM 231 OE1 GLN A 16 4.715 -7.875 -11.503 1.00 0.00 O ATOM 232 NE2 GLN A 16 4.446 -9.267 -13.243 1.00 0.00 N ATOM 0 H GLN A 16 0.822 -6.548 -9.048 1.00 0.00 H new ATOM 0 HA GLN A 16 0.265 -6.635 -11.898 1.00 0.00 H new ATOM 0 HB2 GLN A 16 2.562 -6.573 -10.923 1.00 0.00 H new ATOM 0 HB3 GLN A 16 2.272 -8.137 -10.186 1.00 0.00 H new ATOM 0 HG2 GLN A 16 1.970 -9.150 -12.419 1.00 0.00 H new ATOM 0 HG3 GLN A 16 2.212 -7.587 -13.173 1.00 0.00 H new ATOM 0 HE21 GLN A 16 3.803 -9.707 -13.902 1.00 0.00 H new ATOM 0 HE22 GLN A 16 5.445 -9.469 -13.293 1.00 0.00 H new ATOM 241 N GLU A 17 -0.872 -8.804 -12.200 1.00 0.00 N ATOM 242 CA GLU A 17 -1.720 -9.981 -12.392 1.00 0.00 C ATOM 243 C GLU A 17 -0.975 -11.304 -12.220 1.00 0.00 C ATOM 244 O GLU A 17 0.234 -11.394 -12.435 1.00 0.00 O ATOM 245 CB GLU A 17 -2.368 -9.935 -13.774 1.00 0.00 C ATOM 246 CG GLU A 17 -3.244 -8.711 -13.991 1.00 0.00 C ATOM 247 CD GLU A 17 -3.959 -8.735 -15.328 1.00 0.00 C ATOM 248 OE1 GLU A 17 -3.653 -9.625 -16.150 1.00 0.00 O ATOM 249 OE2 GLU A 17 -4.824 -7.863 -15.552 1.00 0.00 O ATOM 0 H GLU A 17 -0.769 -8.229 -13.036 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.479 -9.944 -11.611 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.587 -9.953 -14.534 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -2.970 -10.833 -13.915 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -3.981 -8.650 -13.190 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.629 -7.813 -13.928 1.00 0.00 H new ATOM 256 N ASP A 18 -1.735 -12.334 -11.848 1.00 0.00 N ATOM 257 CA ASP A 18 -1.207 -13.682 -11.657 1.00 0.00 C ATOM 258 C ASP A 18 -0.457 -14.169 -12.888 1.00 0.00 C ATOM 259 O ASP A 18 0.694 -14.597 -12.803 1.00 0.00 O ATOM 260 CB ASP A 18 -2.368 -14.640 -11.382 1.00 0.00 C ATOM 261 CG ASP A 18 -1.915 -16.072 -11.173 1.00 0.00 C ATOM 262 OD1 ASP A 18 -1.047 -16.540 -11.940 1.00 0.00 O ATOM 263 OD2 ASP A 18 -2.433 -16.730 -10.246 1.00 0.00 O ATOM 0 H ASP A 18 -2.736 -12.255 -11.671 1.00 0.00 H new ATOM 0 HA ASP A 18 -0.513 -13.657 -10.817 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -2.909 -14.303 -10.498 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -3.068 -14.604 -12.217 1.00 0.00 H new ATOM 268 N GLU A 19 -1.131 -14.123 -14.028 1.00 0.00 N ATOM 269 CA GLU A 19 -0.547 -14.586 -15.282 1.00 0.00 C ATOM 270 C GLU A 19 0.692 -13.785 -15.659 1.00 0.00 C ATOM 271 O GLU A 19 1.684 -14.345 -16.123 1.00 0.00 O ATOM 272 CB GLU A 19 -1.576 -14.496 -16.409 1.00 0.00 C ATOM 273 CG GLU A 19 -2.740 -15.461 -16.253 1.00 0.00 C ATOM 274 CD GLU A 19 -3.717 -15.387 -17.411 1.00 0.00 C ATOM 275 OE1 GLU A 19 -3.579 -14.468 -18.245 1.00 0.00 O ATOM 276 OE2 GLU A 19 -4.617 -16.249 -17.483 1.00 0.00 O ATOM 0 H GLU A 19 -2.084 -13.770 -14.112 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.248 -15.624 -15.138 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -1.963 -13.478 -16.455 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -1.079 -14.691 -17.359 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -2.356 -16.478 -16.171 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -3.266 -15.243 -15.324 1.00 0.00 H new ATOM 283 N ASP A 20 0.638 -12.479 -15.447 1.00 0.00 N ATOM 284 CA ASP A 20 1.771 -11.616 -15.758 1.00 0.00 C ATOM 285 C ASP A 20 2.917 -11.876 -14.785 1.00 0.00 C ATOM 286 O ASP A 20 4.092 -11.755 -15.134 1.00 0.00 O ATOM 287 CB ASP A 20 1.354 -10.145 -15.704 1.00 0.00 C ATOM 288 CG ASP A 20 0.313 -9.799 -16.750 1.00 0.00 C ATOM 289 OD1 ASP A 20 0.138 -10.592 -17.699 1.00 0.00 O ATOM 290 OD2 ASP A 20 -0.329 -8.736 -16.621 1.00 0.00 O ATOM 0 H ASP A 20 -0.173 -11.994 -15.063 1.00 0.00 H new ATOM 0 HA ASP A 20 2.111 -11.843 -16.768 1.00 0.00 H new ATOM 0 HB2 ASP A 20 0.959 -9.919 -14.714 1.00 0.00 H new ATOM 0 HB3 ASP A 20 2.232 -9.516 -15.848 1.00 0.00 H new ATOM 295 N ALA A 21 2.552 -12.241 -13.559 1.00 0.00 N ATOM 296 CA ALA A 21 3.528 -12.535 -12.515 1.00 0.00 C ATOM 297 C ALA A 21 3.448 -14.002 -12.100 1.00 0.00 C ATOM 298 O ALA A 21 2.944 -14.330 -11.027 1.00 0.00 O ATOM 299 CB ALA A 21 3.302 -11.632 -11.313 1.00 0.00 C ATOM 0 H ALA A 21 1.581 -12.341 -13.263 1.00 0.00 H new ATOM 0 HA ALA A 21 4.525 -12.345 -12.913 1.00 0.00 H new ATOM 0 HB1 ALA A 21 4.037 -11.862 -10.542 1.00 0.00 H new ATOM 0 HB2 ALA A 21 3.408 -10.590 -11.616 1.00 0.00 H new ATOM 0 HB3 ALA A 21 2.299 -11.795 -10.919 1.00 0.00 H new ATOM 305 N PRO A 22 3.944 -14.904 -12.961 1.00 0.00 N ATOM 306 CA PRO A 22 3.933 -16.349 -12.703 1.00 0.00 C ATOM 307 C PRO A 22 4.991 -16.778 -11.693 1.00 0.00 C ATOM 308 O PRO A 22 4.983 -17.906 -11.200 1.00 0.00 O ATOM 309 CB PRO A 22 4.242 -16.941 -14.075 1.00 0.00 C ATOM 310 CG PRO A 22 5.081 -15.907 -14.742 1.00 0.00 C ATOM 311 CD PRO A 22 4.559 -14.581 -14.261 1.00 0.00 C ATOM 0 HA PRO A 22 2.988 -16.678 -12.272 1.00 0.00 H new ATOM 0 HB2 PRO A 22 4.773 -17.889 -13.989 1.00 0.00 H new ATOM 0 HB3 PRO A 22 3.330 -17.137 -14.638 1.00 0.00 H new ATOM 0 HG2 PRO A 22 6.133 -16.030 -14.483 1.00 0.00 H new ATOM 0 HG3 PRO A 22 5.009 -15.985 -15.827 1.00 0.00 H new ATOM 0 HD2 PRO A 22 5.360 -13.849 -14.155 1.00 0.00 H new ATOM 0 HD3 PRO A 22 3.832 -14.160 -14.955 1.00 0.00 H new ATOM 319 N ALA A 23 5.893 -15.858 -11.386 1.00 0.00 N ATOM 320 CA ALA A 23 6.961 -16.115 -10.428 1.00 0.00 C ATOM 321 C ALA A 23 7.113 -14.939 -9.473 1.00 0.00 C ATOM 322 O ALA A 23 6.707 -13.820 -9.788 1.00 0.00 O ATOM 323 CB ALA A 23 8.272 -16.384 -11.151 1.00 0.00 C ATOM 0 H ALA A 23 5.907 -14.921 -11.788 1.00 0.00 H new ATOM 0 HA ALA A 23 6.698 -17.000 -9.849 1.00 0.00 H new ATOM 0 HB1 ALA A 23 9.058 -16.574 -10.420 1.00 0.00 H new ATOM 0 HB2 ALA A 23 8.159 -17.255 -11.797 1.00 0.00 H new ATOM 0 HB3 ALA A 23 8.539 -15.517 -11.754 1.00 0.00 H new ATOM 329 N CYS A 24 7.680 -15.193 -8.298 1.00 0.00 N ATOM 330 CA CYS A 24 7.860 -14.150 -7.296 1.00 0.00 C ATOM 331 C CYS A 24 8.789 -13.050 -7.792 1.00 0.00 C ATOM 332 O CYS A 24 9.932 -13.305 -8.169 1.00 0.00 O ATOM 333 CB CYS A 24 8.410 -14.753 -6.007 1.00 0.00 C ATOM 334 SG CYS A 24 8.269 -13.667 -4.572 1.00 0.00 S ATOM 0 H CYS A 24 8.022 -16.112 -8.017 1.00 0.00 H new ATOM 0 HA CYS A 24 6.885 -13.703 -7.102 1.00 0.00 H new ATOM 0 HB2 CYS A 24 7.882 -15.684 -5.799 1.00 0.00 H new ATOM 0 HB3 CYS A 24 9.459 -15.008 -6.156 1.00 0.00 H new ATOM 0 HG CYS A 24 9.305 -13.827 -3.803 1.00 0.00 H new ATOM 340 N ASN A 25 8.287 -11.823 -7.769 1.00 0.00 N ATOM 341 CA ASN A 25 9.055 -10.661 -8.195 1.00 0.00 C ATOM 342 C ASN A 25 10.310 -10.485 -7.345 1.00 0.00 C ATOM 343 O ASN A 25 11.291 -9.888 -7.790 1.00 0.00 O ATOM 344 CB ASN A 25 8.190 -9.401 -8.111 1.00 0.00 C ATOM 345 CG ASN A 25 7.127 -9.356 -9.190 1.00 0.00 C ATOM 346 OD1 ASN A 25 5.941 -9.539 -8.918 1.00 0.00 O ATOM 347 ND2 ASN A 25 7.548 -9.107 -10.424 1.00 0.00 N ATOM 0 H ASN A 25 7.341 -11.605 -7.456 1.00 0.00 H new ATOM 0 HA ASN A 25 9.363 -10.822 -9.228 1.00 0.00 H new ATOM 0 HB2 ASN A 25 7.712 -9.356 -7.132 1.00 0.00 H new ATOM 0 HB3 ASN A 25 8.827 -8.520 -8.195 1.00 0.00 H new ATOM 0 HD21 ASN A 25 6.878 -9.061 -11.192 1.00 0.00 H new ATOM 0 HD22 ASN A 25 8.541 -8.961 -10.604 1.00 0.00 H new ATOM 354 N GLY A 26 10.265 -10.977 -6.111 1.00 0.00 N ATOM 355 CA GLY A 26 11.398 -10.827 -5.214 1.00 0.00 C ATOM 356 C GLY A 26 12.453 -11.910 -5.353 1.00 0.00 C ATOM 357 O GLY A 26 13.628 -11.608 -5.561 1.00 0.00 O ATOM 0 H GLY A 26 9.467 -11.475 -5.716 1.00 0.00 H new ATOM 0 HA2 GLY A 26 11.863 -9.858 -5.394 1.00 0.00 H new ATOM 0 HA3 GLY A 26 11.034 -10.820 -4.186 1.00 0.00 H new ATOM 361 N CYS A 27 12.054 -13.171 -5.204 1.00 0.00 N ATOM 362 CA CYS A 27 13.004 -14.278 -5.282 1.00 0.00 C ATOM 363 C CYS A 27 12.898 -15.058 -6.590 1.00 0.00 C ATOM 364 O CYS A 27 13.670 -15.989 -6.821 1.00 0.00 O ATOM 365 CB CYS A 27 12.809 -15.225 -4.096 1.00 0.00 C ATOM 366 SG CYS A 27 11.222 -16.089 -4.095 1.00 0.00 S ATOM 0 H CYS A 27 11.089 -13.450 -5.030 1.00 0.00 H new ATOM 0 HA CYS A 27 14.002 -13.840 -5.249 1.00 0.00 H new ATOM 0 HB2 CYS A 27 13.612 -15.962 -4.098 1.00 0.00 H new ATOM 0 HB3 CYS A 27 12.901 -14.656 -3.171 1.00 0.00 H new ATOM 0 HG CYS A 27 11.152 -16.866 -3.055 1.00 0.00 H new ATOM 372 N GLY A 28 11.966 -14.677 -7.456 1.00 0.00 N ATOM 373 CA GLY A 28 11.826 -15.360 -8.730 1.00 0.00 C ATOM 374 C GLY A 28 11.264 -16.766 -8.609 1.00 0.00 C ATOM 375 O GLY A 28 11.282 -17.524 -9.578 1.00 0.00 O ATOM 0 H GLY A 28 11.308 -13.913 -7.301 1.00 0.00 H new ATOM 0 HA2 GLY A 28 11.176 -14.772 -9.378 1.00 0.00 H new ATOM 0 HA3 GLY A 28 12.801 -15.408 -9.216 1.00 0.00 H new ATOM 379 N CYS A 29 10.762 -17.122 -7.430 1.00 0.00 N ATOM 380 CA CYS A 29 10.199 -18.455 -7.228 1.00 0.00 C ATOM 381 C CYS A 29 8.862 -18.583 -7.950 1.00 0.00 C ATOM 382 O CYS A 29 8.090 -17.629 -8.022 1.00 0.00 O ATOM 383 CB CYS A 29 10.027 -18.757 -5.739 1.00 0.00 C ATOM 384 SG CYS A 29 8.565 -18.005 -4.991 1.00 0.00 S ATOM 0 H CYS A 29 10.733 -16.516 -6.610 1.00 0.00 H new ATOM 0 HA CYS A 29 10.895 -19.182 -7.645 1.00 0.00 H new ATOM 0 HB2 CYS A 29 9.975 -19.837 -5.603 1.00 0.00 H new ATOM 0 HB3 CYS A 29 10.912 -18.411 -5.206 1.00 0.00 H new ATOM 0 HG CYS A 29 8.910 -16.925 -4.354 1.00 0.00 H new ATOM 390 N VAL A 30 8.605 -19.765 -8.498 1.00 0.00 N ATOM 391 CA VAL A 30 7.368 -20.009 -9.234 1.00 0.00 C ATOM 392 C VAL A 30 6.205 -20.309 -8.298 1.00 0.00 C ATOM 393 O VAL A 30 6.344 -21.069 -7.339 1.00 0.00 O ATOM 394 CB VAL A 30 7.509 -21.181 -10.220 1.00 0.00 C ATOM 395 CG1 VAL A 30 6.657 -20.941 -11.457 1.00 0.00 C ATOM 396 CG2 VAL A 30 8.964 -21.405 -10.596 1.00 0.00 C ATOM 0 H VAL A 30 9.233 -20.567 -8.448 1.00 0.00 H new ATOM 0 HA VAL A 30 7.165 -19.092 -9.787 1.00 0.00 H new ATOM 0 HB VAL A 30 7.151 -22.086 -9.729 1.00 0.00 H new ATOM 0 HG11 VAL A 30 6.769 -21.780 -12.144 1.00 0.00 H new ATOM 0 HG12 VAL A 30 5.611 -20.847 -11.166 1.00 0.00 H new ATOM 0 HG13 VAL A 30 6.980 -20.024 -11.949 1.00 0.00 H new ATOM 0 HG21 VAL A 30 9.035 -22.239 -11.294 1.00 0.00 H new ATOM 0 HG22 VAL A 30 9.361 -20.505 -11.065 1.00 0.00 H new ATOM 0 HG23 VAL A 30 9.541 -21.632 -9.699 1.00 0.00 H new ATOM 406 N PHE A 31 5.057 -19.718 -8.594 1.00 0.00 N ATOM 407 CA PHE A 31 3.862 -19.934 -7.792 1.00 0.00 C ATOM 408 C PHE A 31 3.173 -21.225 -8.217 1.00 0.00 C ATOM 409 O PHE A 31 2.997 -21.495 -9.405 1.00 0.00 O ATOM 410 CB PHE A 31 2.898 -18.754 -7.927 1.00 0.00 C ATOM 411 CG PHE A 31 3.458 -17.460 -7.408 1.00 0.00 C ATOM 412 CD1 PHE A 31 3.455 -17.185 -6.051 1.00 0.00 C ATOM 413 CD2 PHE A 31 3.987 -16.520 -8.278 1.00 0.00 C ATOM 414 CE1 PHE A 31 3.970 -15.995 -5.570 1.00 0.00 C ATOM 415 CE2 PHE A 31 4.502 -15.328 -7.804 1.00 0.00 C ATOM 416 CZ PHE A 31 4.493 -15.066 -6.448 1.00 0.00 C ATOM 0 H PHE A 31 4.928 -19.085 -9.383 1.00 0.00 H new ATOM 0 HA PHE A 31 4.159 -20.017 -6.747 1.00 0.00 H new ATOM 0 HB2 PHE A 31 2.632 -18.631 -8.977 1.00 0.00 H new ATOM 0 HB3 PHE A 31 1.978 -18.984 -7.390 1.00 0.00 H new ATOM 0 HD1 PHE A 31 3.046 -17.908 -5.361 1.00 0.00 H new ATOM 0 HD2 PHE A 31 3.997 -16.721 -9.339 1.00 0.00 H new ATOM 0 HE1 PHE A 31 3.963 -15.792 -4.509 1.00 0.00 H new ATOM 0 HE2 PHE A 31 4.911 -14.603 -8.493 1.00 0.00 H new ATOM 0 HZ PHE A 31 4.895 -14.136 -6.075 1.00 0.00 H new ATOM 426 N THR A 32 2.799 -22.016 -7.223 1.00 0.00 N ATOM 427 CA THR A 32 2.137 -23.291 -7.456 1.00 0.00 C ATOM 428 C THR A 32 0.828 -23.378 -6.682 1.00 0.00 C ATOM 429 O THR A 32 0.539 -22.535 -5.833 1.00 0.00 O ATOM 430 CB THR A 32 3.058 -24.446 -7.058 1.00 0.00 C ATOM 431 OG1 THR A 32 3.145 -24.553 -5.649 1.00 0.00 O ATOM 432 CG2 THR A 32 4.464 -24.301 -7.597 1.00 0.00 C ATOM 0 H THR A 32 2.944 -21.795 -6.238 1.00 0.00 H new ATOM 0 HA THR A 32 1.911 -23.364 -8.520 1.00 0.00 H new ATOM 0 HB THR A 32 2.610 -25.339 -7.494 1.00 0.00 H new ATOM 0 HG1 THR A 32 3.737 -25.298 -5.413 1.00 0.00 H new ATOM 0 HG21 THR A 32 5.065 -25.153 -7.279 1.00 0.00 H new ATOM 0 HG22 THR A 32 4.434 -24.265 -8.686 1.00 0.00 H new ATOM 0 HG23 THR A 32 4.907 -23.381 -7.215 1.00 0.00 H new ATOM 440 N THR A 33 0.042 -24.404 -6.980 1.00 0.00 N ATOM 441 CA THR A 33 -1.238 -24.607 -6.314 1.00 0.00 C ATOM 442 C THR A 33 -1.102 -24.486 -4.800 1.00 0.00 C ATOM 443 O THR A 33 -1.935 -23.856 -4.146 1.00 0.00 O ATOM 444 CB THR A 33 -1.801 -25.983 -6.671 1.00 0.00 C ATOM 445 OG1 THR A 33 -1.885 -26.144 -8.076 1.00 0.00 O ATOM 446 CG2 THR A 33 -3.180 -26.234 -6.095 1.00 0.00 C ATOM 0 H THR A 33 0.269 -25.110 -7.680 1.00 0.00 H new ATOM 0 HA THR A 33 -1.921 -23.831 -6.658 1.00 0.00 H new ATOM 0 HB THR A 33 -1.106 -26.700 -6.234 1.00 0.00 H new ATOM 0 HG1 THR A 33 -2.246 -27.031 -8.283 1.00 0.00 H new ATOM 0 HG21 THR A 33 -3.521 -27.228 -6.386 1.00 0.00 H new ATOM 0 HG22 THR A 33 -3.138 -26.169 -5.008 1.00 0.00 H new ATOM 0 HG23 THR A 33 -3.875 -25.486 -6.476 1.00 0.00 H new ATOM 454 N THR A 34 -0.060 -25.091 -4.239 1.00 0.00 N ATOM 455 CA THR A 34 0.151 -25.036 -2.796 1.00 0.00 C ATOM 456 C THR A 34 0.493 -23.619 -2.345 1.00 0.00 C ATOM 457 O THR A 34 0.083 -23.194 -1.266 1.00 0.00 O ATOM 458 CB THR A 34 1.246 -26.014 -2.366 1.00 0.00 C ATOM 459 OG1 THR A 34 0.962 -27.321 -2.828 1.00 0.00 O ATOM 460 CG2 THR A 34 1.427 -26.087 -0.864 1.00 0.00 C ATOM 0 H THR A 34 0.644 -25.619 -4.754 1.00 0.00 H new ATOM 0 HA THR A 34 -0.781 -25.331 -2.313 1.00 0.00 H new ATOM 0 HB THR A 34 2.165 -25.630 -2.809 1.00 0.00 H new ATOM 0 HG1 THR A 34 1.675 -27.930 -2.544 1.00 0.00 H new ATOM 0 HG21 THR A 34 2.218 -26.798 -0.627 1.00 0.00 H new ATOM 0 HG22 THR A 34 1.698 -25.103 -0.482 1.00 0.00 H new ATOM 0 HG23 THR A 34 0.496 -26.413 -0.401 1.00 0.00 H new ATOM 468 N VAL A 35 1.243 -22.885 -3.160 1.00 0.00 N ATOM 469 CA VAL A 35 1.619 -21.523 -2.806 1.00 0.00 C ATOM 470 C VAL A 35 0.567 -20.520 -3.251 1.00 0.00 C ATOM 471 O VAL A 35 0.353 -20.301 -4.444 1.00 0.00 O ATOM 472 CB VAL A 35 2.959 -21.115 -3.439 1.00 0.00 C ATOM 473 CG1 VAL A 35 3.248 -19.645 -3.177 1.00 0.00 C ATOM 474 CG2 VAL A 35 4.092 -21.983 -2.922 1.00 0.00 C ATOM 0 H VAL A 35 1.599 -23.206 -4.060 1.00 0.00 H new ATOM 0 HA VAL A 35 1.709 -21.512 -1.720 1.00 0.00 H new ATOM 0 HB VAL A 35 2.884 -21.266 -4.516 1.00 0.00 H new ATOM 0 HG11 VAL A 35 4.201 -19.375 -3.633 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.454 -19.036 -3.608 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.297 -19.470 -2.102 1.00 0.00 H new ATOM 0 HG21 VAL A 35 5.028 -21.673 -3.386 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.169 -21.874 -1.840 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.893 -23.026 -3.168 1.00 0.00 H new ATOM 484 N ARG A 36 -0.072 -19.909 -2.271 1.00 0.00 N ATOM 485 CA ARG A 36 -1.097 -18.907 -2.522 1.00 0.00 C ATOM 486 C ARG A 36 -0.458 -17.609 -2.998 1.00 0.00 C ATOM 487 O ARG A 36 0.637 -17.247 -2.570 1.00 0.00 O ATOM 488 CB ARG A 36 -1.915 -18.650 -1.254 1.00 0.00 C ATOM 489 CG ARG A 36 -2.667 -19.875 -0.759 1.00 0.00 C ATOM 490 CD ARG A 36 -3.530 -19.551 0.451 1.00 0.00 C ATOM 491 NE ARG A 36 -4.698 -18.752 0.093 1.00 0.00 N ATOM 492 CZ ARG A 36 -5.794 -19.260 -0.465 1.00 0.00 C ATOM 493 NH1 ARG A 36 -5.868 -20.558 -0.717 1.00 0.00 N ATOM 494 NH2 ARG A 36 -6.815 -18.470 -0.765 1.00 0.00 N ATOM 0 H ARG A 36 0.102 -20.090 -1.282 1.00 0.00 H new ATOM 0 HA ARG A 36 -1.763 -19.282 -3.299 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -1.248 -18.300 -0.466 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -2.629 -17.849 -1.448 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -3.294 -20.266 -1.560 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -1.956 -20.659 -0.500 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -3.856 -20.478 0.922 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -2.934 -19.012 1.187 1.00 0.00 H new ATOM 0 HE ARG A 36 -4.673 -17.750 0.281 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -5.085 -21.168 -0.483 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -6.708 -20.947 -1.145 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -6.762 -17.471 -0.568 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -7.654 -18.861 -1.193 1.00 0.00 H new ATOM 508 N ARG A 37 -1.152 -16.917 -3.891 1.00 0.00 N ATOM 509 CA ARG A 37 -0.660 -15.661 -4.437 1.00 0.00 C ATOM 510 C ARG A 37 -0.985 -14.499 -3.508 1.00 0.00 C ATOM 511 O ARG A 37 -2.068 -14.444 -2.924 1.00 0.00 O ATOM 512 CB ARG A 37 -1.271 -15.424 -5.816 1.00 0.00 C ATOM 513 CG ARG A 37 -0.701 -14.218 -6.538 1.00 0.00 C ATOM 514 CD ARG A 37 -1.261 -14.113 -7.944 1.00 0.00 C ATOM 515 NE ARG A 37 -0.914 -15.288 -8.737 1.00 0.00 N ATOM 516 CZ ARG A 37 0.262 -15.451 -9.333 1.00 0.00 C ATOM 517 NH1 ARG A 37 1.170 -14.487 -9.284 1.00 0.00 N ATOM 518 NH2 ARG A 37 0.528 -16.573 -9.985 1.00 0.00 N ATOM 0 H ARG A 37 -2.061 -17.206 -4.253 1.00 0.00 H new ATOM 0 HA ARG A 37 0.424 -15.724 -4.530 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -1.115 -16.311 -6.430 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -2.348 -15.296 -5.709 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -0.935 -13.311 -5.980 1.00 0.00 H new ATOM 0 HG3 ARG A 37 0.386 -14.294 -6.580 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -2.345 -14.007 -7.900 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -0.873 -13.217 -8.427 1.00 0.00 H new ATOM 0 HE ARG A 37 -1.613 -16.024 -8.839 1.00 0.00 H new ATOM 0 HH11 ARG A 37 0.966 -13.619 -8.788 1.00 0.00 H new ATOM 0 HH12 ARG A 37 2.073 -14.613 -9.742 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -0.171 -17.314 -10.030 1.00 0.00 H new ATOM 0 HH22 ARG A 37 1.432 -16.695 -10.442 1.00 0.00 H new ATOM 532 N HIS A 38 -0.041 -13.575 -3.370 1.00 0.00 N ATOM 533 CA HIS A 38 -0.233 -12.420 -2.504 1.00 0.00 C ATOM 534 C HIS A 38 0.413 -11.169 -3.093 1.00 0.00 C ATOM 535 O HIS A 38 1.189 -11.245 -4.046 1.00 0.00 O ATOM 536 CB HIS A 38 0.348 -12.699 -1.116 1.00 0.00 C ATOM 537 CG HIS A 38 -0.283 -13.868 -0.425 1.00 0.00 C ATOM 538 ND1 HIS A 38 -1.541 -13.821 0.138 1.00 0.00 N ATOM 539 CD2 HIS A 38 0.178 -15.123 -0.207 1.00 0.00 C ATOM 540 CE1 HIS A 38 -1.826 -14.995 0.674 1.00 0.00 C ATOM 541 NE2 HIS A 38 -0.800 -15.801 0.478 1.00 0.00 N ATOM 0 H HIS A 38 0.861 -13.604 -3.845 1.00 0.00 H new ATOM 0 HA HIS A 38 -1.305 -12.241 -2.420 1.00 0.00 H new ATOM 0 HB2 HIS A 38 1.419 -12.878 -1.209 1.00 0.00 H new ATOM 0 HB3 HIS A 38 0.226 -11.811 -0.495 1.00 0.00 H new ATOM 0 HD1 HIS A 38 -2.156 -13.007 0.140 1.00 0.00 H new ATOM 0 HD2 HIS A 38 1.136 -15.517 -0.514 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -2.742 -15.251 1.185 1.00 0.00 H new ATOM 550 N HIS A 39 0.075 -10.020 -2.523 1.00 0.00 N ATOM 551 CA HIS A 39 0.613 -8.749 -2.998 1.00 0.00 C ATOM 552 C HIS A 39 1.163 -7.914 -1.847 1.00 0.00 C ATOM 553 O HIS A 39 0.635 -7.949 -0.736 1.00 0.00 O ATOM 554 CB HIS A 39 -0.472 -7.962 -3.733 1.00 0.00 C ATOM 555 CG HIS A 39 -1.058 -8.695 -4.899 1.00 0.00 C ATOM 556 ND1 HIS A 39 -0.382 -8.894 -6.084 1.00 0.00 N ATOM 557 CD2 HIS A 39 -2.270 -9.281 -5.058 1.00 0.00 C ATOM 558 CE1 HIS A 39 -1.151 -9.568 -6.921 1.00 0.00 C ATOM 559 NE2 HIS A 39 -2.300 -9.815 -6.323 1.00 0.00 N ATOM 0 H HIS A 39 -0.567 -9.940 -1.734 1.00 0.00 H new ATOM 0 HA HIS A 39 1.432 -8.968 -3.683 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -1.269 -7.716 -3.031 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -0.052 -7.019 -4.082 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -3.064 -9.321 -4.327 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -0.884 -9.866 -7.924 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -3.085 -10.321 -6.734 1.00 0.00 H new ATOM 568 N CYS A 40 2.205 -7.137 -2.129 1.00 0.00 N ATOM 569 CA CYS A 40 2.812 -6.256 -1.141 1.00 0.00 C ATOM 570 C CYS A 40 2.134 -4.887 -1.222 1.00 0.00 C ATOM 571 O CYS A 40 1.833 -4.399 -2.311 1.00 0.00 O ATOM 572 CB CYS A 40 4.316 -6.133 -1.405 1.00 0.00 C ATOM 573 SG CYS A 40 5.143 -4.877 -0.407 1.00 0.00 S ATOM 0 H CYS A 40 2.650 -7.102 -3.046 1.00 0.00 H new ATOM 0 HA CYS A 40 2.677 -6.666 -0.140 1.00 0.00 H new ATOM 0 HB2 CYS A 40 4.786 -7.098 -1.217 1.00 0.00 H new ATOM 0 HB3 CYS A 40 4.471 -5.903 -2.459 1.00 0.00 H new ATOM 0 HG CYS A 40 6.220 -4.479 -1.016 1.00 0.00 H new ATOM 579 N ARG A 41 1.856 -4.295 -0.063 1.00 0.00 N ATOM 580 CA ARG A 41 1.165 -3.005 -0.001 1.00 0.00 C ATOM 581 C ARG A 41 2.054 -1.838 -0.424 1.00 0.00 C ATOM 582 O ARG A 41 1.592 -0.700 -0.514 1.00 0.00 O ATOM 583 CB ARG A 41 0.633 -2.767 1.413 1.00 0.00 C ATOM 584 CG ARG A 41 -0.409 -3.783 1.848 1.00 0.00 C ATOM 585 CD ARG A 41 -1.014 -3.420 3.194 1.00 0.00 C ATOM 586 NE ARG A 41 -1.834 -2.215 3.114 1.00 0.00 N ATOM 587 CZ ARG A 41 -2.682 -1.834 4.063 1.00 0.00 C ATOM 588 NH1 ARG A 41 -2.820 -2.560 5.163 1.00 0.00 N ATOM 589 NH2 ARG A 41 -3.393 -0.724 3.912 1.00 0.00 N ATOM 0 H ARG A 41 2.098 -4.686 0.847 1.00 0.00 H new ATOM 0 HA ARG A 41 0.338 -3.051 -0.710 1.00 0.00 H new ATOM 0 HB2 ARG A 41 1.467 -2.790 2.115 1.00 0.00 H new ATOM 0 HB3 ARG A 41 0.199 -1.768 1.466 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -1.197 -3.841 1.098 1.00 0.00 H new ATOM 0 HG3 ARG A 41 0.048 -4.771 1.908 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -1.622 -4.250 3.555 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -0.217 -3.269 3.922 1.00 0.00 H new ATOM 0 HE ARG A 41 -1.751 -1.632 2.281 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -2.274 -3.414 5.283 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -3.472 -2.265 5.890 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -3.289 -0.163 3.067 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -4.044 -0.432 4.641 1.00 0.00 H new ATOM 603 N ASN A 42 3.323 -2.115 -0.681 1.00 0.00 N ATOM 604 CA ASN A 42 4.265 -1.079 -1.089 1.00 0.00 C ATOM 605 C ASN A 42 4.518 -1.109 -2.595 1.00 0.00 C ATOM 606 O ASN A 42 4.078 -0.220 -3.322 1.00 0.00 O ATOM 607 CB ASN A 42 5.585 -1.244 -0.332 1.00 0.00 C ATOM 608 CG ASN A 42 5.460 -0.895 1.135 1.00 0.00 C ATOM 609 OD1 ASN A 42 4.973 0.175 1.487 1.00 0.00 O ATOM 610 ND2 ASN A 42 5.907 -1.796 2.001 1.00 0.00 N ATOM 0 H ASN A 42 3.727 -3.049 -0.615 1.00 0.00 H new ATOM 0 HA ASN A 42 3.824 -0.113 -0.845 1.00 0.00 H new ATOM 0 HB2 ASN A 42 5.929 -2.274 -0.429 1.00 0.00 H new ATOM 0 HB3 ASN A 42 6.344 -0.610 -0.790 1.00 0.00 H new ATOM 0 HD21 ASN A 42 5.853 -1.611 3.003 1.00 0.00 H new ATOM 0 HD22 ASN A 42 6.305 -2.673 1.665 1.00 0.00 H new ATOM 617 N CYS A 43 5.248 -2.117 -3.055 1.00 0.00 N ATOM 618 CA CYS A 43 5.576 -2.236 -4.474 1.00 0.00 C ATOM 619 C CYS A 43 4.376 -2.697 -5.299 1.00 0.00 C ATOM 620 O CYS A 43 4.294 -2.422 -6.496 1.00 0.00 O ATOM 621 CB CYS A 43 6.754 -3.196 -4.669 1.00 0.00 C ATOM 622 SG CYS A 43 6.417 -4.900 -4.163 1.00 0.00 S ATOM 0 H CYS A 43 5.624 -2.863 -2.470 1.00 0.00 H new ATOM 0 HA CYS A 43 5.858 -1.245 -4.829 1.00 0.00 H new ATOM 0 HB2 CYS A 43 7.041 -3.192 -5.721 1.00 0.00 H new ATOM 0 HB3 CYS A 43 7.608 -2.824 -4.104 1.00 0.00 H new ATOM 0 HG CYS A 43 6.760 -5.059 -2.919 1.00 0.00 H new ATOM 628 N GLY A 44 3.441 -3.380 -4.650 1.00 0.00 N ATOM 629 CA GLY A 44 2.250 -3.844 -5.342 1.00 0.00 C ATOM 630 C GLY A 44 2.519 -5.017 -6.264 1.00 0.00 C ATOM 631 O GLY A 44 1.729 -5.304 -7.162 1.00 0.00 O ATOM 0 H GLY A 44 3.484 -3.621 -3.660 1.00 0.00 H new ATOM 0 HA2 GLY A 44 1.498 -4.132 -4.607 1.00 0.00 H new ATOM 0 HA3 GLY A 44 1.830 -3.022 -5.922 1.00 0.00 H new ATOM 635 N TYR A 45 3.630 -5.705 -6.036 1.00 0.00 N ATOM 636 CA TYR A 45 3.996 -6.860 -6.844 1.00 0.00 C ATOM 637 C TYR A 45 3.581 -8.148 -6.154 1.00 0.00 C ATOM 638 O TYR A 45 3.253 -8.152 -4.967 1.00 0.00 O ATOM 639 CB TYR A 45 5.498 -6.879 -7.123 1.00 0.00 C ATOM 640 CG TYR A 45 5.966 -5.763 -8.030 1.00 0.00 C ATOM 641 CD1 TYR A 45 6.032 -4.455 -7.575 1.00 0.00 C ATOM 642 CD2 TYR A 45 6.352 -6.022 -9.340 1.00 0.00 C ATOM 643 CE1 TYR A 45 6.468 -3.433 -8.396 1.00 0.00 C ATOM 644 CE2 TYR A 45 6.788 -5.006 -10.170 1.00 0.00 C ATOM 645 CZ TYR A 45 6.844 -3.713 -9.693 1.00 0.00 C ATOM 646 OH TYR A 45 7.280 -2.699 -10.514 1.00 0.00 O ATOM 0 H TYR A 45 4.295 -5.482 -5.296 1.00 0.00 H new ATOM 0 HA TYR A 45 3.468 -6.783 -7.795 1.00 0.00 H new ATOM 0 HB2 TYR A 45 6.034 -6.814 -6.176 1.00 0.00 H new ATOM 0 HB3 TYR A 45 5.762 -7.836 -7.574 1.00 0.00 H new ATOM 0 HD1 TYR A 45 5.737 -4.231 -6.560 1.00 0.00 H new ATOM 0 HD2 TYR A 45 6.311 -7.034 -9.716 1.00 0.00 H new ATOM 0 HE1 TYR A 45 6.514 -2.420 -8.024 1.00 0.00 H new ATOM 0 HE2 TYR A 45 7.083 -5.223 -11.186 1.00 0.00 H new ATOM 0 HH TYR A 45 7.507 -3.065 -11.394 1.00 0.00 H new ATOM 656 N VAL A 46 3.589 -9.238 -6.907 1.00 0.00 N ATOM 657 CA VAL A 46 3.202 -10.527 -6.358 1.00 0.00 C ATOM 658 C VAL A 46 4.355 -11.164 -5.592 1.00 0.00 C ATOM 659 O VAL A 46 5.464 -11.293 -6.110 1.00 0.00 O ATOM 660 CB VAL A 46 2.723 -11.498 -7.448 1.00 0.00 C ATOM 661 CG1 VAL A 46 2.359 -12.841 -6.834 1.00 0.00 C ATOM 662 CG2 VAL A 46 1.539 -10.910 -8.205 1.00 0.00 C ATOM 0 H VAL A 46 3.857 -9.256 -7.891 1.00 0.00 H new ATOM 0 HA VAL A 46 2.373 -10.337 -5.677 1.00 0.00 H new ATOM 0 HB VAL A 46 3.535 -11.654 -8.158 1.00 0.00 H new ATOM 0 HG11 VAL A 46 2.021 -13.520 -7.617 1.00 0.00 H new ATOM 0 HG12 VAL A 46 3.233 -13.264 -6.340 1.00 0.00 H new ATOM 0 HG13 VAL A 46 1.561 -12.703 -6.104 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.213 -11.612 -8.973 1.00 0.00 H new ATOM 0 HG22 VAL A 46 0.719 -10.725 -7.511 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.836 -9.972 -8.673 1.00 0.00 H new ATOM 672 N LEU A 47 4.077 -11.568 -4.360 1.00 0.00 N ATOM 673 CA LEU A 47 5.078 -12.205 -3.515 1.00 0.00 C ATOM 674 C LEU A 47 4.518 -13.475 -2.887 1.00 0.00 C ATOM 675 O LEU A 47 3.384 -13.490 -2.409 1.00 0.00 O ATOM 676 CB LEU A 47 5.523 -11.265 -2.385 1.00 0.00 C ATOM 677 CG LEU A 47 6.301 -10.010 -2.792 1.00 0.00 C ATOM 678 CD1 LEU A 47 7.701 -10.367 -3.254 1.00 0.00 C ATOM 679 CD2 LEU A 47 5.571 -9.227 -3.867 1.00 0.00 C ATOM 0 H LEU A 47 3.162 -11.465 -3.922 1.00 0.00 H new ATOM 0 HA LEU A 47 5.932 -12.446 -4.149 1.00 0.00 H new ATOM 0 HB2 LEU A 47 4.635 -10.950 -1.836 1.00 0.00 H new ATOM 0 HB3 LEU A 47 6.140 -11.837 -1.692 1.00 0.00 H new ATOM 0 HG LEU A 47 6.379 -9.374 -1.910 1.00 0.00 H new ATOM 0 HD11 LEU A 47 8.233 -9.459 -3.538 1.00 0.00 H new ATOM 0 HD12 LEU A 47 8.236 -10.863 -2.444 1.00 0.00 H new ATOM 0 HD13 LEU A 47 7.641 -11.036 -4.113 1.00 0.00 H new ATOM 0 HD21 LEU A 47 6.152 -8.343 -4.131 1.00 0.00 H new ATOM 0 HD22 LEU A 47 5.442 -9.854 -4.749 1.00 0.00 H new ATOM 0 HD23 LEU A 47 4.594 -8.921 -3.494 1.00 0.00 H new ATOM 691 N CYS A 48 5.327 -14.527 -2.851 1.00 0.00 N ATOM 692 CA CYS A 48 4.906 -15.775 -2.234 1.00 0.00 C ATOM 693 C CYS A 48 4.986 -15.624 -0.722 1.00 0.00 C ATOM 694 O CYS A 48 5.409 -14.577 -0.230 1.00 0.00 O ATOM 695 CB CYS A 48 5.783 -16.940 -2.703 1.00 0.00 C ATOM 696 SG CYS A 48 7.323 -17.125 -1.773 1.00 0.00 S ATOM 0 H CYS A 48 6.270 -14.540 -3.239 1.00 0.00 H new ATOM 0 HA CYS A 48 3.880 -15.996 -2.529 1.00 0.00 H new ATOM 0 HB2 CYS A 48 5.211 -17.865 -2.626 1.00 0.00 H new ATOM 0 HB3 CYS A 48 6.022 -16.799 -3.757 1.00 0.00 H new ATOM 0 HG CYS A 48 8.274 -17.495 -2.578 1.00 0.00 H new ATOM 702 N GLY A 49 4.582 -16.644 0.025 1.00 0.00 N ATOM 703 CA GLY A 49 4.634 -16.541 1.470 1.00 0.00 C ATOM 704 C GLY A 49 6.008 -16.140 1.970 1.00 0.00 C ATOM 705 O GLY A 49 6.144 -15.168 2.712 1.00 0.00 O ATOM 0 H GLY A 49 4.224 -17.528 -0.337 1.00 0.00 H new ATOM 0 HA2 GLY A 49 3.900 -15.809 1.806 1.00 0.00 H new ATOM 0 HA3 GLY A 49 4.355 -17.498 1.910 1.00 0.00 H new ATOM 709 N ASP A 50 7.023 -16.895 1.559 1.00 0.00 N ATOM 710 CA ASP A 50 8.402 -16.637 1.968 1.00 0.00 C ATOM 711 C ASP A 50 8.858 -15.217 1.653 1.00 0.00 C ATOM 712 O ASP A 50 9.633 -14.622 2.400 1.00 0.00 O ATOM 713 CB ASP A 50 9.349 -17.641 1.315 1.00 0.00 C ATOM 714 CG ASP A 50 9.280 -19.010 1.964 1.00 0.00 C ATOM 715 OD1 ASP A 50 8.576 -19.146 2.986 1.00 0.00 O ATOM 716 OD2 ASP A 50 9.932 -19.944 1.453 1.00 0.00 O ATOM 0 H ASP A 50 6.915 -17.697 0.938 1.00 0.00 H new ATOM 0 HA ASP A 50 8.431 -16.752 3.051 1.00 0.00 H new ATOM 0 HB2 ASP A 50 9.104 -17.731 0.257 1.00 0.00 H new ATOM 0 HB3 ASP A 50 10.370 -17.265 1.375 1.00 0.00 H new ATOM 721 N CYS A 51 8.376 -14.683 0.537 1.00 0.00 N ATOM 722 CA CYS A 51 8.739 -13.335 0.118 1.00 0.00 C ATOM 723 C CYS A 51 7.786 -12.299 0.701 1.00 0.00 C ATOM 724 O CYS A 51 7.971 -11.097 0.508 1.00 0.00 O ATOM 725 CB CYS A 51 8.757 -13.237 -1.407 1.00 0.00 C ATOM 726 SG CYS A 51 10.366 -13.619 -2.140 1.00 0.00 S ATOM 0 H CYS A 51 7.733 -15.163 -0.093 1.00 0.00 H new ATOM 0 HA CYS A 51 9.739 -13.126 0.498 1.00 0.00 H new ATOM 0 HB2 CYS A 51 8.011 -13.918 -1.815 1.00 0.00 H new ATOM 0 HB3 CYS A 51 8.463 -12.229 -1.701 1.00 0.00 H new ATOM 0 HG CYS A 51 10.316 -14.784 -2.714 1.00 0.00 H new ATOM 732 N SER A 52 6.778 -12.767 1.427 1.00 0.00 N ATOM 733 CA SER A 52 5.807 -11.885 2.054 1.00 0.00 C ATOM 734 C SER A 52 5.602 -12.292 3.509 1.00 0.00 C ATOM 735 O SER A 52 4.556 -12.023 4.100 1.00 0.00 O ATOM 736 CB SER A 52 4.477 -11.934 1.300 1.00 0.00 C ATOM 737 OG SER A 52 3.846 -13.194 1.458 1.00 0.00 O ATOM 0 H SER A 52 6.613 -13.759 1.596 1.00 0.00 H new ATOM 0 HA SER A 52 6.186 -10.864 2.020 1.00 0.00 H new ATOM 0 HB2 SER A 52 3.819 -11.146 1.666 1.00 0.00 H new ATOM 0 HB3 SER A 52 4.648 -11.740 0.241 1.00 0.00 H new ATOM 0 HG SER A 52 4.210 -13.826 0.804 1.00 0.00 H new ATOM 743 N ARG A 53 6.619 -12.930 4.084 1.00 0.00 N ATOM 744 CA ARG A 53 6.560 -13.361 5.475 1.00 0.00 C ATOM 745 C ARG A 53 6.812 -12.190 6.421 1.00 0.00 C ATOM 746 O ARG A 53 6.432 -12.240 7.591 1.00 0.00 O ATOM 747 CB ARG A 53 7.572 -14.481 5.753 1.00 0.00 C ATOM 748 CG ARG A 53 7.179 -15.835 5.187 1.00 0.00 C ATOM 749 CD ARG A 53 8.148 -16.922 5.626 1.00 0.00 C ATOM 750 NE ARG A 53 8.051 -17.200 7.057 1.00 0.00 N ATOM 751 CZ ARG A 53 9.043 -17.721 7.775 1.00 0.00 C ATOM 752 NH1 ARG A 53 10.197 -18.024 7.196 1.00 0.00 N ATOM 753 NH2 ARG A 53 8.881 -17.939 9.073 1.00 0.00 N ATOM 0 H ARG A 53 7.491 -13.159 3.608 1.00 0.00 H new ATOM 0 HA ARG A 53 5.557 -13.748 5.653 1.00 0.00 H new ATOM 0 HB2 ARG A 53 8.538 -14.193 5.337 1.00 0.00 H new ATOM 0 HB3 ARG A 53 7.704 -14.576 6.831 1.00 0.00 H new ATOM 0 HG2 ARG A 53 6.171 -16.090 5.515 1.00 0.00 H new ATOM 0 HG3 ARG A 53 7.156 -15.783 4.098 1.00 0.00 H new ATOM 0 HD2 ARG A 53 7.946 -17.835 5.065 1.00 0.00 H new ATOM 0 HD3 ARG A 53 9.167 -16.618 5.384 1.00 0.00 H new ATOM 0 HE ARG A 53 7.175 -16.983 7.532 1.00 0.00 H new ATOM 0 HH11 ARG A 53 10.326 -17.858 6.198 1.00 0.00 H new ATOM 0 HH12 ARG A 53 10.956 -18.423 7.749 1.00 0.00 H new ATOM 0 HH21 ARG A 53 7.995 -17.707 9.522 1.00 0.00 H new ATOM 0 HH22 ARG A 53 9.642 -18.338 9.622 1.00 0.00 H new ATOM 767 N HIS A 54 7.464 -11.140 5.924 1.00 0.00 N ATOM 768 CA HIS A 54 7.767 -9.979 6.755 1.00 0.00 C ATOM 769 C HIS A 54 6.546 -9.090 6.948 1.00 0.00 C ATOM 770 O HIS A 54 5.573 -9.171 6.197 1.00 0.00 O ATOM 771 CB HIS A 54 8.890 -9.146 6.138 1.00 0.00 C ATOM 772 CG HIS A 54 10.212 -9.845 6.086 1.00 0.00 C ATOM 773 ND1 HIS A 54 10.989 -10.061 7.203 1.00 0.00 N ATOM 774 CD2 HIS A 54 10.899 -10.367 5.044 1.00 0.00 C ATOM 775 CE1 HIS A 54 12.099 -10.684 6.850 1.00 0.00 C ATOM 776 NE2 HIS A 54 12.069 -10.883 5.545 1.00 0.00 N ATOM 0 H HIS A 54 7.789 -11.070 4.960 1.00 0.00 H new ATOM 0 HA HIS A 54 8.082 -10.362 7.726 1.00 0.00 H new ATOM 0 HB2 HIS A 54 8.602 -8.861 5.126 1.00 0.00 H new ATOM 0 HB3 HIS A 54 9.001 -8.225 6.710 1.00 0.00 H new ATOM 0 HD2 HIS A 54 10.586 -10.376 4.010 1.00 0.00 H new ATOM 0 HE1 HIS A 54 12.896 -10.980 7.516 1.00 0.00 H new ATOM 0 HE2 HIS A 54 12.796 -11.345 4.998 1.00 0.00 H new ATOM 785 N ARG A 55 6.623 -8.226 7.952 1.00 0.00 N ATOM 786 CA ARG A 55 5.545 -7.293 8.247 1.00 0.00 C ATOM 787 C ARG A 55 6.120 -5.922 8.598 1.00 0.00 C ATOM 788 O ARG A 55 7.102 -5.820 9.333 1.00 0.00 O ATOM 789 CB ARG A 55 4.669 -7.819 9.384 1.00 0.00 C ATOM 790 CG ARG A 55 4.014 -9.155 9.074 1.00 0.00 C ATOM 791 CD ARG A 55 3.054 -9.573 10.173 1.00 0.00 C ATOM 792 NE ARG A 55 2.522 -10.915 9.955 1.00 0.00 N ATOM 793 CZ ARG A 55 1.831 -11.588 10.867 1.00 0.00 C ATOM 794 NH1 ARG A 55 1.594 -11.048 12.054 1.00 0.00 N ATOM 795 NH2 ARG A 55 1.375 -12.804 10.593 1.00 0.00 N ATOM 0 H ARG A 55 7.425 -8.153 8.578 1.00 0.00 H new ATOM 0 HA ARG A 55 4.919 -7.192 7.360 1.00 0.00 H new ATOM 0 HB2 ARG A 55 5.276 -7.921 10.283 1.00 0.00 H new ATOM 0 HB3 ARG A 55 3.894 -7.085 9.604 1.00 0.00 H new ATOM 0 HG2 ARG A 55 3.478 -9.087 8.127 1.00 0.00 H new ATOM 0 HG3 ARG A 55 4.782 -9.918 8.951 1.00 0.00 H new ATOM 0 HD2 ARG A 55 3.567 -9.538 11.134 1.00 0.00 H new ATOM 0 HD3 ARG A 55 2.230 -8.861 10.225 1.00 0.00 H new ATOM 0 HE ARG A 55 2.690 -11.360 9.053 1.00 0.00 H new ATOM 0 HH11 ARG A 55 1.943 -10.114 12.268 1.00 0.00 H new ATOM 0 HH12 ARG A 55 1.063 -11.567 12.753 1.00 0.00 H new ATOM 0 HH21 ARG A 55 1.555 -13.223 9.681 1.00 0.00 H new ATOM 0 HH22 ARG A 55 0.844 -13.320 11.295 1.00 0.00 H new ATOM 809 N ALA A 56 5.506 -4.876 8.068 1.00 0.00 N ATOM 810 CA ALA A 56 5.971 -3.516 8.328 1.00 0.00 C ATOM 811 C ALA A 56 4.882 -2.487 8.074 1.00 0.00 C ATOM 812 O ALA A 56 3.986 -2.708 7.258 1.00 0.00 O ATOM 813 CB ALA A 56 7.192 -3.208 7.475 1.00 0.00 C ATOM 0 H ALA A 56 4.690 -4.938 7.459 1.00 0.00 H new ATOM 0 HA ALA A 56 6.241 -3.456 9.382 1.00 0.00 H new ATOM 0 HB1 ALA A 56 7.530 -2.192 7.677 1.00 0.00 H new ATOM 0 HB2 ALA A 56 7.990 -3.910 7.715 1.00 0.00 H new ATOM 0 HB3 ALA A 56 6.932 -3.301 6.421 1.00 0.00 H new ATOM 819 N ALA A 57 4.981 -1.347 8.749 1.00 0.00 N ATOM 820 CA ALA A 57 4.024 -0.266 8.569 1.00 0.00 C ATOM 821 C ALA A 57 4.514 0.660 7.468 1.00 0.00 C ATOM 822 O ALA A 57 5.719 0.776 7.243 1.00 0.00 O ATOM 823 CB ALA A 57 3.832 0.501 9.870 1.00 0.00 C ATOM 0 H ALA A 57 5.717 -1.149 9.427 1.00 0.00 H new ATOM 0 HA ALA A 57 3.059 -0.684 8.282 1.00 0.00 H new ATOM 0 HB1 ALA A 57 3.113 1.305 9.715 1.00 0.00 H new ATOM 0 HB2 ALA A 57 3.460 -0.175 10.640 1.00 0.00 H new ATOM 0 HB3 ALA A 57 4.785 0.923 10.188 1.00 0.00 H new ATOM 829 N ILE A 58 3.592 1.306 6.769 1.00 0.00 N ATOM 830 CA ILE A 58 3.953 2.202 5.682 1.00 0.00 C ATOM 831 C ILE A 58 3.300 3.569 5.859 1.00 0.00 C ATOM 832 O ILE A 58 2.249 3.848 5.281 1.00 0.00 O ATOM 833 CB ILE A 58 3.528 1.601 4.335 1.00 0.00 C ATOM 834 CG1 ILE A 58 3.649 0.075 4.383 1.00 0.00 C ATOM 835 CG2 ILE A 58 4.376 2.174 3.215 1.00 0.00 C ATOM 836 CD1 ILE A 58 3.109 -0.619 3.153 1.00 0.00 C ATOM 0 H ILE A 58 2.589 1.226 6.936 1.00 0.00 H new ATOM 0 HA ILE A 58 5.036 2.329 5.698 1.00 0.00 H new ATOM 0 HB ILE A 58 2.487 1.860 4.141 1.00 0.00 H new ATOM 0 HG12 ILE A 58 4.698 -0.193 4.509 1.00 0.00 H new ATOM 0 HG13 ILE A 58 3.118 -0.295 5.260 1.00 0.00 H new ATOM 0 HG21 ILE A 58 4.065 1.740 2.265 1.00 0.00 H new ATOM 0 HG22 ILE A 58 4.248 3.256 3.179 1.00 0.00 H new ATOM 0 HG23 ILE A 58 5.425 1.938 3.396 1.00 0.00 H new ATOM 0 HD11 ILE A 58 3.230 -1.697 3.261 1.00 0.00 H new ATOM 0 HD12 ILE A 58 2.051 -0.382 3.036 1.00 0.00 H new ATOM 0 HD13 ILE A 58 3.656 -0.279 2.274 1.00 0.00 H new ATOM 848 N PRO A 59 3.912 4.433 6.682 1.00 0.00 N ATOM 849 CA PRO A 59 3.391 5.774 6.967 1.00 0.00 C ATOM 850 C PRO A 59 3.398 6.711 5.763 1.00 0.00 C ATOM 851 O PRO A 59 2.786 7.779 5.807 1.00 0.00 O ATOM 852 CB PRO A 59 4.316 6.297 8.066 1.00 0.00 C ATOM 853 CG PRO A 59 5.576 5.520 7.903 1.00 0.00 C ATOM 854 CD PRO A 59 5.159 4.160 7.415 1.00 0.00 C ATOM 0 HA PRO A 59 2.341 5.728 7.255 1.00 0.00 H new ATOM 0 HB2 PRO A 59 4.494 7.367 7.958 1.00 0.00 H new ATOM 0 HB3 PRO A 59 3.882 6.145 9.054 1.00 0.00 H new ATOM 0 HG2 PRO A 59 6.244 6.003 7.190 1.00 0.00 H new ATOM 0 HG3 PRO A 59 6.116 5.448 8.847 1.00 0.00 H new ATOM 0 HD2 PRO A 59 5.916 3.714 6.770 1.00 0.00 H new ATOM 0 HD3 PRO A 59 4.997 3.468 8.241 1.00 0.00 H new ATOM 862 N MET A 60 4.052 6.312 4.677 1.00 0.00 N ATOM 863 CA MET A 60 4.071 7.138 3.476 1.00 0.00 C ATOM 864 C MET A 60 2.853 6.811 2.627 1.00 0.00 C ATOM 865 O MET A 60 2.245 7.686 2.010 1.00 0.00 O ATOM 866 CB MET A 60 5.352 6.891 2.674 1.00 0.00 C ATOM 867 CG MET A 60 6.611 7.360 3.384 1.00 0.00 C ATOM 868 SD MET A 60 8.081 7.241 2.346 1.00 0.00 S ATOM 869 CE MET A 60 8.140 5.478 2.035 1.00 0.00 C ATOM 0 H MET A 60 4.568 5.435 4.603 1.00 0.00 H new ATOM 0 HA MET A 60 4.046 8.189 3.764 1.00 0.00 H new ATOM 0 HB2 MET A 60 5.439 5.825 2.463 1.00 0.00 H new ATOM 0 HB3 MET A 60 5.274 7.401 1.714 1.00 0.00 H new ATOM 0 HG2 MET A 60 6.479 8.394 3.703 1.00 0.00 H new ATOM 0 HG3 MET A 60 6.758 6.765 4.285 1.00 0.00 H new ATOM 0 HE1 MET A 60 9.150 5.110 2.215 1.00 0.00 H new ATOM 0 HE2 MET A 60 7.444 4.968 2.701 1.00 0.00 H new ATOM 0 HE3 MET A 60 7.861 5.282 1.000 1.00 0.00 H new ATOM 879 N ARG A 61 2.507 5.532 2.619 1.00 0.00 N ATOM 880 CA ARG A 61 1.361 5.043 1.868 1.00 0.00 C ATOM 881 C ARG A 61 0.079 5.223 2.676 1.00 0.00 C ATOM 882 O ARG A 61 -1.007 4.841 2.242 1.00 0.00 O ATOM 883 CB ARG A 61 1.561 3.565 1.528 1.00 0.00 C ATOM 884 CG ARG A 61 2.889 3.283 0.844 1.00 0.00 C ATOM 885 CD ARG A 61 2.976 3.947 -0.518 1.00 0.00 C ATOM 886 NE ARG A 61 2.151 3.265 -1.511 1.00 0.00 N ATOM 887 CZ ARG A 61 2.396 3.291 -2.817 1.00 0.00 C ATOM 888 NH1 ARG A 61 3.429 3.976 -3.290 1.00 0.00 N ATOM 889 NH2 ARG A 61 1.606 2.631 -3.653 1.00 0.00 N ATOM 0 H ARG A 61 3.010 4.807 3.131 1.00 0.00 H new ATOM 0 HA ARG A 61 1.273 5.617 0.945 1.00 0.00 H new ATOM 0 HB2 ARG A 61 1.499 2.976 2.443 1.00 0.00 H new ATOM 0 HB3 ARG A 61 0.749 3.234 0.881 1.00 0.00 H new ATOM 0 HG2 ARG A 61 3.705 3.638 1.474 1.00 0.00 H new ATOM 0 HG3 ARG A 61 3.018 2.207 0.732 1.00 0.00 H new ATOM 0 HD2 ARG A 61 2.659 4.987 -0.436 1.00 0.00 H new ATOM 0 HD3 ARG A 61 4.014 3.955 -0.852 1.00 0.00 H new ATOM 0 HE ARG A 61 1.341 2.739 -1.184 1.00 0.00 H new ATOM 0 HH11 ARG A 61 4.039 4.485 -2.651 1.00 0.00 H new ATOM 0 HH12 ARG A 61 3.613 3.993 -4.293 1.00 0.00 H new ATOM 0 HH21 ARG A 61 0.810 2.103 -3.294 1.00 0.00 H new ATOM 0 HH22 ARG A 61 1.794 2.651 -4.655 1.00 0.00 H new ATOM 903 N GLY A 62 0.228 5.813 3.858 1.00 0.00 N ATOM 904 CA GLY A 62 -0.911 6.045 4.724 1.00 0.00 C ATOM 905 C GLY A 62 -1.123 4.918 5.713 1.00 0.00 C ATOM 906 O GLY A 62 -2.123 4.893 6.429 1.00 0.00 O ATOM 0 H GLY A 62 1.121 6.135 4.231 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -0.767 6.979 5.267 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -1.808 6.165 4.116 1.00 0.00 H new ATOM 910 N ILE A 63 -0.179 3.983 5.754 1.00 0.00 N ATOM 911 CA ILE A 63 -0.262 2.850 6.662 1.00 0.00 C ATOM 912 C ILE A 63 0.544 3.128 7.928 1.00 0.00 C ATOM 913 O ILE A 63 1.769 3.010 7.935 1.00 0.00 O ATOM 914 CB ILE A 63 0.270 1.575 5.971 1.00 0.00 C ATOM 915 CG1 ILE A 63 -0.536 1.292 4.702 1.00 0.00 C ATOM 916 CG2 ILE A 63 0.226 0.381 6.910 1.00 0.00 C ATOM 917 CD1 ILE A 63 0.072 0.222 3.822 1.00 0.00 C ATOM 0 H ILE A 63 0.654 3.990 5.166 1.00 0.00 H new ATOM 0 HA ILE A 63 -1.306 2.697 6.934 1.00 0.00 H new ATOM 0 HB ILE A 63 1.312 1.743 5.698 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -1.545 0.989 4.983 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -0.628 2.214 4.127 1.00 0.00 H new ATOM 0 HG21 ILE A 63 0.607 -0.501 6.395 1.00 0.00 H new ATOM 0 HG22 ILE A 63 0.842 0.584 7.786 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -0.803 0.202 7.224 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -0.554 0.076 2.942 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.070 0.531 3.510 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.139 -0.713 4.379 1.00 0.00 H new ATOM 929 N THR A 64 -0.153 3.509 8.995 1.00 0.00 N ATOM 930 CA THR A 64 0.500 3.819 10.263 1.00 0.00 C ATOM 931 C THR A 64 0.706 2.567 11.107 1.00 0.00 C ATOM 932 O THR A 64 1.540 2.548 12.012 1.00 0.00 O ATOM 933 CB THR A 64 -0.313 4.854 11.037 1.00 0.00 C ATOM 934 OG1 THR A 64 -1.614 4.366 11.314 1.00 0.00 O ATOM 935 CG2 THR A 64 -0.456 6.168 10.301 1.00 0.00 C ATOM 0 H THR A 64 -1.168 3.610 9.007 1.00 0.00 H new ATOM 0 HA THR A 64 1.483 4.233 10.040 1.00 0.00 H new ATOM 0 HB THR A 64 0.242 5.032 11.958 1.00 0.00 H new ATOM 0 HG1 THR A 64 -2.118 5.043 11.812 1.00 0.00 H new ATOM 0 HG21 THR A 64 -1.044 6.860 10.904 1.00 0.00 H new ATOM 0 HG22 THR A 64 0.531 6.593 10.120 1.00 0.00 H new ATOM 0 HG23 THR A 64 -0.959 5.999 9.349 1.00 0.00 H new ATOM 943 N GLU A 65 -0.041 1.514 10.796 1.00 0.00 N ATOM 944 CA GLU A 65 0.082 0.255 11.517 1.00 0.00 C ATOM 945 C GLU A 65 0.874 -0.735 10.676 1.00 0.00 C ATOM 946 O GLU A 65 0.793 -0.713 9.449 1.00 0.00 O ATOM 947 CB GLU A 65 -1.300 -0.315 11.845 1.00 0.00 C ATOM 948 CG GLU A 65 -2.205 0.663 12.576 1.00 0.00 C ATOM 949 CD GLU A 65 -3.631 0.160 12.697 1.00 0.00 C ATOM 950 OE1 GLU A 65 -3.817 -1.013 13.080 1.00 0.00 O ATOM 951 OE2 GLU A 65 -4.562 0.942 12.408 1.00 0.00 O ATOM 0 H GLU A 65 -0.737 1.508 10.050 1.00 0.00 H new ATOM 0 HA GLU A 65 0.607 0.433 12.455 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -1.785 -0.623 10.919 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -1.179 -1.210 12.455 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -1.803 0.849 13.572 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -2.204 1.617 12.049 1.00 0.00 H new ATOM 958 N PRO A 66 1.664 -1.611 11.310 1.00 0.00 N ATOM 959 CA PRO A 66 2.470 -2.587 10.579 1.00 0.00 C ATOM 960 C PRO A 66 1.612 -3.497 9.709 1.00 0.00 C ATOM 961 O PRO A 66 0.689 -4.155 10.193 1.00 0.00 O ATOM 962 CB PRO A 66 3.184 -3.382 11.680 1.00 0.00 C ATOM 963 CG PRO A 66 2.418 -3.095 12.931 1.00 0.00 C ATOM 964 CD PRO A 66 1.843 -1.716 12.763 1.00 0.00 C ATOM 0 HA PRO A 66 3.164 -2.108 9.888 1.00 0.00 H new ATOM 0 HB2 PRO A 66 3.187 -4.449 11.456 1.00 0.00 H new ATOM 0 HB3 PRO A 66 4.225 -3.074 11.776 1.00 0.00 H new ATOM 0 HG2 PRO A 66 1.628 -3.831 13.081 1.00 0.00 H new ATOM 0 HG3 PRO A 66 3.068 -3.142 13.805 1.00 0.00 H new ATOM 0 HD2 PRO A 66 0.899 -1.604 13.296 1.00 0.00 H new ATOM 0 HD3 PRO A 66 2.516 -0.948 13.144 1.00 0.00 H new ATOM 972 N GLU A 67 1.919 -3.516 8.416 1.00 0.00 N ATOM 973 CA GLU A 67 1.186 -4.324 7.453 1.00 0.00 C ATOM 974 C GLU A 67 2.136 -5.234 6.678 1.00 0.00 C ATOM 975 O GLU A 67 3.355 -5.065 6.733 1.00 0.00 O ATOM 976 CB GLU A 67 0.422 -3.418 6.485 1.00 0.00 C ATOM 977 CG GLU A 67 -0.586 -2.509 7.169 1.00 0.00 C ATOM 978 CD GLU A 67 -1.672 -3.281 7.894 1.00 0.00 C ATOM 979 OE1 GLU A 67 -1.828 -4.489 7.615 1.00 0.00 O ATOM 980 OE2 GLU A 67 -2.365 -2.677 8.740 1.00 0.00 O ATOM 0 H GLU A 67 2.681 -2.973 8.009 1.00 0.00 H new ATOM 0 HA GLU A 67 0.476 -4.949 7.995 1.00 0.00 H new ATOM 0 HB2 GLU A 67 1.136 -2.805 5.934 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.098 -4.038 5.754 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -0.066 -1.867 7.880 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -1.044 -1.857 6.426 1.00 0.00 H new ATOM 987 N ARG A 68 1.573 -6.206 5.968 1.00 0.00 N ATOM 988 CA ARG A 68 2.371 -7.154 5.194 1.00 0.00 C ATOM 989 C ARG A 68 3.023 -6.498 3.978 1.00 0.00 C ATOM 990 O ARG A 68 2.401 -5.722 3.252 1.00 0.00 O ATOM 991 CB ARG A 68 1.501 -8.332 4.755 1.00 0.00 C ATOM 992 CG ARG A 68 0.362 -7.940 3.828 1.00 0.00 C ATOM 993 CD ARG A 68 -0.588 -9.103 3.589 1.00 0.00 C ATOM 994 NE ARG A 68 -1.636 -8.769 2.626 1.00 0.00 N ATOM 995 CZ ARG A 68 -2.797 -8.216 2.961 1.00 0.00 C ATOM 996 NH1 ARG A 68 -3.056 -7.922 4.229 1.00 0.00 N ATOM 997 NH2 ARG A 68 -3.702 -7.952 2.029 1.00 0.00 N ATOM 0 H ARG A 68 0.566 -6.359 5.912 1.00 0.00 H new ATOM 0 HA ARG A 68 3.173 -7.513 5.839 1.00 0.00 H new ATOM 0 HB2 ARG A 68 2.129 -9.068 4.253 1.00 0.00 H new ATOM 0 HB3 ARG A 68 1.087 -8.816 5.640 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -0.187 -7.103 4.259 1.00 0.00 H new ATOM 0 HG3 ARG A 68 0.768 -7.599 2.876 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -0.024 -9.962 3.227 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -1.045 -9.397 4.534 1.00 0.00 H new ATOM 0 HE ARG A 68 -1.466 -8.972 1.641 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -2.363 -8.120 4.950 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -3.948 -7.498 4.482 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -3.508 -8.173 1.052 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -4.592 -7.528 2.288 1.00 0.00 H new ATOM 1011 N VAL A 69 4.288 -6.848 3.773 1.00 0.00 N ATOM 1012 CA VAL A 69 5.084 -6.347 2.657 1.00 0.00 C ATOM 1013 C VAL A 69 6.057 -7.420 2.192 1.00 0.00 C ATOM 1014 O VAL A 69 6.109 -8.509 2.761 1.00 0.00 O ATOM 1015 CB VAL A 69 5.888 -5.098 3.043 1.00 0.00 C ATOM 1016 CG1 VAL A 69 4.949 -3.951 3.377 1.00 0.00 C ATOM 1017 CG2 VAL A 69 6.829 -5.407 4.201 1.00 0.00 C ATOM 0 H VAL A 69 4.794 -7.492 4.381 1.00 0.00 H new ATOM 0 HA VAL A 69 4.390 -6.083 1.859 1.00 0.00 H new ATOM 0 HB VAL A 69 6.499 -4.793 2.194 1.00 0.00 H new ATOM 0 HG11 VAL A 69 5.532 -3.071 3.649 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.331 -3.722 2.509 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.310 -4.236 4.213 1.00 0.00 H new ATOM 0 HG21 VAL A 69 7.391 -4.511 4.462 1.00 0.00 H new ATOM 0 HG22 VAL A 69 6.249 -5.735 5.063 1.00 0.00 H new ATOM 0 HG23 VAL A 69 7.521 -6.197 3.907 1.00 0.00 H new ATOM 1027 N CYS A 70 6.847 -7.101 1.175 1.00 0.00 N ATOM 1028 CA CYS A 70 7.836 -8.028 0.660 1.00 0.00 C ATOM 1029 C CYS A 70 9.187 -7.733 1.298 1.00 0.00 C ATOM 1030 O CYS A 70 9.255 -7.059 2.327 1.00 0.00 O ATOM 1031 CB CYS A 70 7.921 -7.939 -0.864 1.00 0.00 C ATOM 1032 SG CYS A 70 9.068 -6.692 -1.482 1.00 0.00 S ATOM 0 H CYS A 70 6.819 -6.203 0.692 1.00 0.00 H new ATOM 0 HA CYS A 70 7.538 -9.045 0.914 1.00 0.00 H new ATOM 0 HB2 CYS A 70 8.218 -8.912 -1.255 1.00 0.00 H new ATOM 0 HB3 CYS A 70 6.927 -7.726 -1.258 1.00 0.00 H new ATOM 0 HG CYS A 70 8.454 -5.551 -1.586 1.00 0.00 H new ATOM 1038 N ASP A 71 10.257 -8.248 0.712 1.00 0.00 N ATOM 1039 CA ASP A 71 11.590 -8.028 1.274 1.00 0.00 C ATOM 1040 C ASP A 71 12.191 -6.680 0.862 1.00 0.00 C ATOM 1041 O ASP A 71 12.791 -5.993 1.688 1.00 0.00 O ATOM 1042 CB ASP A 71 12.535 -9.173 0.899 1.00 0.00 C ATOM 1043 CG ASP A 71 12.780 -9.269 -0.595 1.00 0.00 C ATOM 1044 OD1 ASP A 71 12.077 -8.577 -1.359 1.00 0.00 O ATOM 1045 OD2 ASP A 71 13.671 -10.044 -1.000 1.00 0.00 O ATOM 0 H ASP A 71 10.236 -8.812 -0.138 1.00 0.00 H new ATOM 0 HA ASP A 71 11.471 -8.006 2.357 1.00 0.00 H new ATOM 0 HB2 ASP A 71 13.488 -9.034 1.410 1.00 0.00 H new ATOM 0 HB3 ASP A 71 12.117 -10.114 1.255 1.00 0.00 H new ATOM 1050 N ALA A 72 12.042 -6.303 -0.402 1.00 0.00 N ATOM 1051 CA ALA A 72 12.592 -5.033 -0.881 1.00 0.00 C ATOM 1052 C ALA A 72 11.866 -3.838 -0.268 1.00 0.00 C ATOM 1053 O ALA A 72 12.497 -2.879 0.178 1.00 0.00 O ATOM 1054 CB ALA A 72 12.527 -4.970 -2.399 1.00 0.00 C ATOM 0 H ALA A 72 11.551 -6.849 -1.110 1.00 0.00 H new ATOM 0 HA ALA A 72 13.634 -4.983 -0.567 1.00 0.00 H new ATOM 0 HB1 ALA A 72 12.939 -4.021 -2.742 1.00 0.00 H new ATOM 0 HB2 ALA A 72 13.106 -5.791 -2.822 1.00 0.00 H new ATOM 0 HB3 ALA A 72 11.489 -5.053 -2.723 1.00 0.00 H new ATOM 1060 N CYS A 73 10.543 -3.903 -0.244 1.00 0.00 N ATOM 1061 CA CYS A 73 9.731 -2.832 0.321 1.00 0.00 C ATOM 1062 C CYS A 73 10.014 -2.685 1.806 1.00 0.00 C ATOM 1063 O CYS A 73 10.131 -1.570 2.315 1.00 0.00 O ATOM 1064 CB CYS A 73 8.250 -3.126 0.095 1.00 0.00 C ATOM 1065 SG CYS A 73 7.847 -3.525 -1.616 1.00 0.00 S ATOM 0 H CYS A 73 10.006 -4.689 -0.610 1.00 0.00 H new ATOM 0 HA CYS A 73 9.986 -1.897 -0.177 1.00 0.00 H new ATOM 0 HB2 CYS A 73 7.952 -3.958 0.733 1.00 0.00 H new ATOM 0 HB3 CYS A 73 7.665 -2.260 0.405 1.00 0.00 H new ATOM 0 HG CYS A 73 8.925 -3.894 -2.241 1.00 0.00 H new ATOM 1071 N TYR A 74 10.144 -3.807 2.493 1.00 0.00 N ATOM 1072 CA TYR A 74 10.439 -3.779 3.914 1.00 0.00 C ATOM 1073 C TYR A 74 11.720 -2.991 4.148 1.00 0.00 C ATOM 1074 O TYR A 74 11.828 -2.227 5.105 1.00 0.00 O ATOM 1075 CB TYR A 74 10.576 -5.200 4.463 1.00 0.00 C ATOM 1076 CG TYR A 74 10.810 -5.257 5.955 1.00 0.00 C ATOM 1077 CD1 TYR A 74 9.753 -5.145 6.849 1.00 0.00 C ATOM 1078 CD2 TYR A 74 12.090 -5.426 6.469 1.00 0.00 C ATOM 1079 CE1 TYR A 74 9.964 -5.200 8.213 1.00 0.00 C ATOM 1080 CE2 TYR A 74 12.308 -5.482 7.832 1.00 0.00 C ATOM 1081 CZ TYR A 74 11.243 -5.368 8.699 1.00 0.00 C ATOM 1082 OH TYR A 74 11.459 -5.424 10.057 1.00 0.00 O ATOM 0 H TYR A 74 10.051 -4.741 2.094 1.00 0.00 H new ATOM 0 HA TYR A 74 9.617 -3.293 4.440 1.00 0.00 H new ATOM 0 HB2 TYR A 74 9.672 -5.760 4.225 1.00 0.00 H new ATOM 0 HB3 TYR A 74 11.403 -5.698 3.956 1.00 0.00 H new ATOM 0 HD1 TYR A 74 8.750 -5.013 6.472 1.00 0.00 H new ATOM 0 HD2 TYR A 74 12.927 -5.515 5.793 1.00 0.00 H new ATOM 0 HE1 TYR A 74 9.131 -5.112 8.895 1.00 0.00 H new ATOM 0 HE2 TYR A 74 13.309 -5.615 8.216 1.00 0.00 H new ATOM 0 HH TYR A 74 12.416 -5.547 10.231 1.00 0.00 H new ATOM 1092 N LEU A 75 12.687 -3.188 3.257 1.00 0.00 N ATOM 1093 CA LEU A 75 13.973 -2.503 3.344 1.00 0.00 C ATOM 1094 C LEU A 75 13.869 -1.025 2.975 1.00 0.00 C ATOM 1095 O LEU A 75 14.344 -0.161 3.711 1.00 0.00 O ATOM 1096 CB LEU A 75 14.993 -3.189 2.439 1.00 0.00 C ATOM 1097 CG LEU A 75 15.794 -4.311 3.101 1.00 0.00 C ATOM 1098 CD1 LEU A 75 16.353 -5.260 2.052 1.00 0.00 C ATOM 1099 CD2 LEU A 75 16.914 -3.729 3.949 1.00 0.00 C ATOM 0 H LEU A 75 12.603 -3.821 2.461 1.00 0.00 H new ATOM 0 HA LEU A 75 14.299 -2.560 4.382 1.00 0.00 H new ATOM 0 HB2 LEU A 75 14.471 -3.597 1.573 1.00 0.00 H new ATOM 0 HB3 LEU A 75 15.689 -2.437 2.066 1.00 0.00 H new ATOM 0 HG LEU A 75 15.127 -4.877 3.751 1.00 0.00 H new ATOM 0 HD11 LEU A 75 16.920 -6.051 2.542 1.00 0.00 H new ATOM 0 HD12 LEU A 75 15.533 -5.699 1.485 1.00 0.00 H new ATOM 0 HD13 LEU A 75 17.008 -4.710 1.376 1.00 0.00 H new ATOM 0 HD21 LEU A 75 17.476 -4.539 4.414 1.00 0.00 H new ATOM 0 HD22 LEU A 75 17.580 -3.141 3.318 1.00 0.00 H new ATOM 0 HD23 LEU A 75 16.490 -3.090 4.723 1.00 0.00 H new ATOM 1111 N ALA A 76 13.268 -0.735 1.822 1.00 0.00 N ATOM 1112 CA ALA A 76 13.138 0.648 1.365 1.00 0.00 C ATOM 1113 C ALA A 76 12.520 1.509 2.453 1.00 0.00 C ATOM 1114 O ALA A 76 13.038 2.578 2.776 1.00 0.00 O ATOM 1115 CB ALA A 76 12.318 0.720 0.086 1.00 0.00 C ATOM 0 H ALA A 76 12.867 -1.431 1.193 1.00 0.00 H new ATOM 0 HA ALA A 76 14.134 1.033 1.147 1.00 0.00 H new ATOM 0 HB1 ALA A 76 12.235 1.758 -0.235 1.00 0.00 H new ATOM 0 HB2 ALA A 76 12.808 0.137 -0.694 1.00 0.00 H new ATOM 0 HB3 ALA A 76 11.322 0.316 0.269 1.00 0.00 H new ATOM 1121 N LEU A 77 11.438 1.030 3.046 1.00 0.00 N ATOM 1122 CA LEU A 77 10.802 1.760 4.129 1.00 0.00 C ATOM 1123 C LEU A 77 11.769 1.803 5.302 1.00 0.00 C ATOM 1124 O LEU A 77 11.929 2.823 5.973 1.00 0.00 O ATOM 1125 CB LEU A 77 9.492 1.083 4.531 1.00 0.00 C ATOM 1126 CG LEU A 77 8.406 1.078 3.450 1.00 0.00 C ATOM 1127 CD1 LEU A 77 7.290 0.120 3.825 1.00 0.00 C ATOM 1128 CD2 LEU A 77 7.853 2.481 3.234 1.00 0.00 C ATOM 0 H LEU A 77 10.987 0.149 2.799 1.00 0.00 H new ATOM 0 HA LEU A 77 10.563 2.774 3.810 1.00 0.00 H new ATOM 0 HB2 LEU A 77 9.705 0.052 4.815 1.00 0.00 H new ATOM 0 HB3 LEU A 77 9.099 1.583 5.417 1.00 0.00 H new ATOM 0 HG LEU A 77 8.855 0.740 2.516 1.00 0.00 H new ATOM 0 HD11 LEU A 77 6.527 0.128 3.047 1.00 0.00 H new ATOM 0 HD12 LEU A 77 7.694 -0.887 3.926 1.00 0.00 H new ATOM 0 HD13 LEU A 77 6.847 0.430 4.771 1.00 0.00 H new ATOM 0 HD21 LEU A 77 7.084 2.454 2.462 1.00 0.00 H new ATOM 0 HD22 LEU A 77 7.421 2.849 4.165 1.00 0.00 H new ATOM 0 HD23 LEU A 77 8.658 3.145 2.920 1.00 0.00 H new ATOM 1140 N ARG A 78 12.419 0.666 5.518 1.00 0.00 N ATOM 1141 CA ARG A 78 13.404 0.499 6.579 1.00 0.00 C ATOM 1142 C ARG A 78 14.551 1.499 6.444 1.00 0.00 C ATOM 1143 O ARG A 78 15.298 1.734 7.395 1.00 0.00 O ATOM 1144 CB ARG A 78 13.963 -0.925 6.523 1.00 0.00 C ATOM 1145 CG ARG A 78 14.939 -1.252 7.635 1.00 0.00 C ATOM 1146 CD ARG A 78 15.666 -2.559 7.365 1.00 0.00 C ATOM 1147 NE ARG A 78 16.487 -2.973 8.498 1.00 0.00 N ATOM 1148 CZ ARG A 78 16.003 -3.603 9.564 1.00 0.00 C ATOM 1149 NH1 ARG A 78 14.709 -3.880 9.641 1.00 0.00 N ATOM 1150 NH2 ARG A 78 16.814 -3.954 10.553 1.00 0.00 N ATOM 0 H ARG A 78 12.276 -0.173 4.957 1.00 0.00 H new ATOM 0 HA ARG A 78 12.911 0.679 7.534 1.00 0.00 H new ATOM 0 HB2 ARG A 78 13.134 -1.631 6.563 1.00 0.00 H new ATOM 0 HB3 ARG A 78 14.460 -1.071 5.564 1.00 0.00 H new ATOM 0 HG2 ARG A 78 15.664 -0.444 7.735 1.00 0.00 H new ATOM 0 HG3 ARG A 78 14.405 -1.320 8.583 1.00 0.00 H new ATOM 0 HD2 ARG A 78 14.938 -3.339 7.141 1.00 0.00 H new ATOM 0 HD3 ARG A 78 16.296 -2.448 6.482 1.00 0.00 H new ATOM 0 HE ARG A 78 17.486 -2.768 8.471 1.00 0.00 H new ATOM 0 HH11 ARG A 78 14.084 -3.610 8.882 1.00 0.00 H new ATOM 0 HH12 ARG A 78 14.339 -4.363 10.459 1.00 0.00 H new ATOM 0 HH21 ARG A 78 17.810 -3.741 10.496 1.00 0.00 H new ATOM 0 HH22 ARG A 78 16.442 -4.437 11.371 1.00 0.00 H new ATOM 1164 N SER A 79 14.687 2.083 5.257 1.00 0.00 N ATOM 1165 CA SER A 79 15.744 3.054 5.000 1.00 0.00 C ATOM 1166 C SER A 79 15.658 4.238 5.958 1.00 0.00 C ATOM 1167 O SER A 79 16.675 4.837 6.311 1.00 0.00 O ATOM 1168 CB SER A 79 15.666 3.549 3.554 1.00 0.00 C ATOM 1169 OG SER A 79 15.767 2.471 2.639 1.00 0.00 O ATOM 0 H SER A 79 14.079 1.900 4.459 1.00 0.00 H new ATOM 0 HA SER A 79 16.700 2.556 5.162 1.00 0.00 H new ATOM 0 HB2 SER A 79 14.725 4.076 3.397 1.00 0.00 H new ATOM 0 HB3 SER A 79 16.467 4.264 3.368 1.00 0.00 H new ATOM 0 HG SER A 79 15.713 2.814 1.722 1.00 0.00 H new ATOM 1175 N SER A 80 14.442 4.577 6.372 1.00 0.00 N ATOM 1176 CA SER A 80 14.230 5.696 7.284 1.00 0.00 C ATOM 1177 C SER A 80 15.126 5.575 8.512 1.00 0.00 C ATOM 1178 O SER A 80 15.573 6.580 9.066 1.00 0.00 O ATOM 1179 CB SER A 80 12.763 5.764 7.711 1.00 0.00 C ATOM 1180 OG SER A 80 11.906 5.836 6.585 1.00 0.00 O ATOM 0 H SER A 80 13.589 4.094 6.091 1.00 0.00 H new ATOM 0 HA SER A 80 14.489 6.615 6.758 1.00 0.00 H new ATOM 0 HB2 SER A 80 12.513 4.886 8.306 1.00 0.00 H new ATOM 0 HB3 SER A 80 12.606 6.635 8.347 1.00 0.00 H new ATOM 0 HG SER A 80 11.762 4.936 6.225 1.00 0.00 H new ATOM 1186 N ASN A 81 15.390 4.343 8.931 1.00 0.00 N ATOM 1187 CA ASN A 81 16.239 4.099 10.091 1.00 0.00 C ATOM 1188 C ASN A 81 17.710 4.100 9.688 1.00 0.00 C ATOM 1189 O ASN A 81 18.146 3.271 8.889 1.00 0.00 O ATOM 1190 CB ASN A 81 15.878 2.766 10.746 1.00 0.00 C ATOM 1191 CG ASN A 81 16.516 2.602 12.111 1.00 0.00 C ATOM 1192 OD1 ASN A 81 17.273 3.462 12.563 1.00 0.00 O ATOM 1193 ND2 ASN A 81 16.212 1.494 12.777 1.00 0.00 N ATOM 0 H ASN A 81 15.029 3.499 8.486 1.00 0.00 H new ATOM 0 HA ASN A 81 16.073 4.901 10.810 1.00 0.00 H new ATOM 0 HB2 ASN A 81 14.795 2.693 10.843 1.00 0.00 H new ATOM 0 HB3 ASN A 81 16.195 1.948 10.099 1.00 0.00 H new ATOM 0 HD21 ASN A 81 16.610 1.329 13.701 1.00 0.00 H new ATOM 0 HD22 ASN A 81 15.580 0.808 12.364 1.00 0.00 H new ATOM 1200 N MET A 82 18.470 5.040 10.242 1.00 0.00 N ATOM 1201 CA MET A 82 19.891 5.154 9.936 1.00 0.00 C ATOM 1202 C MET A 82 20.728 4.314 10.894 1.00 0.00 C ATOM 1203 O MET A 82 20.486 4.302 12.100 1.00 0.00 O ATOM 1204 CB MET A 82 20.330 6.617 9.999 1.00 0.00 C ATOM 1205 CG MET A 82 19.668 7.494 8.948 1.00 0.00 C ATOM 1206 SD MET A 82 20.331 9.171 8.923 1.00 0.00 S ATOM 1207 CE MET A 82 19.941 9.713 10.585 1.00 0.00 C ATOM 0 H MET A 82 18.125 5.734 10.905 1.00 0.00 H new ATOM 0 HA MET A 82 20.050 4.777 8.926 1.00 0.00 H new ATOM 0 HB2 MET A 82 20.102 7.014 10.988 1.00 0.00 H new ATOM 0 HB3 MET A 82 21.412 6.669 9.876 1.00 0.00 H new ATOM 0 HG2 MET A 82 19.801 7.040 7.966 1.00 0.00 H new ATOM 0 HG3 MET A 82 18.595 7.535 9.138 1.00 0.00 H new ATOM 0 HE1 MET A 82 20.023 10.798 10.642 1.00 0.00 H new ATOM 0 HE2 MET A 82 18.924 9.412 10.837 1.00 0.00 H new ATOM 0 HE3 MET A 82 20.639 9.259 11.289 1.00 0.00 H new ATOM 1217 N ALA A 83 21.716 3.613 10.345 1.00 0.00 N ATOM 1218 CA ALA A 83 22.595 2.770 11.146 1.00 0.00 C ATOM 1219 C ALA A 83 23.392 3.603 12.145 1.00 0.00 C ATOM 1220 O ALA A 83 23.780 4.734 11.857 1.00 0.00 O ATOM 1221 CB ALA A 83 23.533 1.982 10.244 1.00 0.00 C ATOM 0 H ALA A 83 21.927 3.613 9.347 1.00 0.00 H new ATOM 0 HA ALA A 83 21.977 2.070 11.708 1.00 0.00 H new ATOM 0 HB1 ALA A 83 24.184 1.356 10.854 1.00 0.00 H new ATOM 0 HB2 ALA A 83 22.949 1.352 9.573 1.00 0.00 H new ATOM 0 HB3 ALA A 83 24.139 2.672 9.657 1.00 0.00 H new ATOM 1227 N GLY A 84 23.632 3.034 13.323 1.00 0.00 N ATOM 1228 CA GLY A 84 24.382 3.736 14.348 1.00 0.00 C ATOM 1229 C GLY A 84 25.133 2.793 15.266 1.00 0.00 C ATOM 1230 O GLY A 84 25.858 3.284 16.156 1.00 0.00 O ATOM 1231 OXT GLY A 84 24.995 1.563 15.096 1.00 0.00 O ATOM 0 H GLY A 84 23.320 2.099 13.585 1.00 0.00 H new ATOM 0 HA2 GLY A 84 25.089 4.417 13.874 1.00 0.00 H new ATOM 0 HA3 GLY A 84 23.699 4.347 14.939 1.00 0.00 H new TER 1235 GLY A 84