USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 640 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 51 THR OG1 : rot 170:sc= -0.112 USER MOD Set 1.2: A 54 GLN : amide:sc= -0.0275 K(o=0.23,f=-0.67) USER MOD Set 1.3: A 61 HIS : no HD1:sc= 0.366 K(o=0.23,f=-5.4!) USER MOD Single : A 1 ALA N :NH3+ -160:sc= 1.11 (180deg=0.882) USER MOD Single : A 2 ASN : amide:sc= -0.0039 X(o=-0.0039,f=-0.32) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 170:sc= 1.26 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 HIS : no HD1:sc= -0.0303 X(o=-0.03,f=0) USER MOD Single : A 18 LYS NZ :NH3+ 133:sc= 1.27 (180deg=-0.278!) USER MOD Single : A 22 SER OG : rot 78:sc= 0.0864 USER MOD Single : A 23 SER OG : rot 88:sc= 0.169 USER MOD Single : A 24 LYS NZ :NH3+ -172:sc= 1.31 (180deg=1.15) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= 0.742 K(o=0.74,f=-0.022) USER MOD Single : A 36 ASN : amide:sc= 0.466 K(o=0.47,f=-11!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl -179:sc= -0.658 (180deg=-0.663) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot -42:sc= 1.62 USER MOD Single : A 50 THR OG1 : rot 160:sc= -0.128 USER MOD Single : A 60 GLN : amide:sc= 0.982 K(o=0.98,f=0) USER MOD Single : A 65 TYR OH : rot -58:sc= 1.49 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ -172:sc= 0.381 (180deg=0.295) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -8.251 7.592 -7.158 1.00 0.00 N ATOM 2 CA ALA A 1 -7.156 8.561 -7.066 1.00 0.00 C ATOM 3 C ALA A 1 -5.837 7.801 -6.868 1.00 0.00 C ATOM 4 O ALA A 1 -5.823 6.578 -7.042 1.00 0.00 O ATOM 5 CB ALA A 1 -7.486 9.619 -6.013 1.00 0.00 C ATOM 0 H1 ALA A 1 -9.071 8.037 -7.618 1.00 0.00 H new ATOM 0 H2 ALA A 1 -7.943 6.772 -7.718 1.00 0.00 H new ATOM 0 H3 ALA A 1 -8.518 7.278 -6.203 1.00 0.00 H new ATOM 0 HA ALA A 1 -7.029 9.128 -7.988 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -6.668 10.337 -5.949 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -8.403 10.138 -6.293 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -7.623 9.138 -5.044 1.00 0.00 H new ATOM 13 N ASN A 2 -4.717 8.492 -6.613 1.00 0.00 N ATOM 14 CA ASN A 2 -3.389 7.872 -6.598 1.00 0.00 C ATOM 15 C ASN A 2 -3.145 7.014 -5.360 1.00 0.00 C ATOM 16 O ASN A 2 -2.660 7.503 -4.338 1.00 0.00 O ATOM 17 CB ASN A 2 -2.208 8.840 -6.855 1.00 0.00 C ATOM 18 CG ASN A 2 -2.474 10.091 -7.680 1.00 0.00 C ATOM 19 OD1 ASN A 2 -3.302 10.102 -8.589 1.00 0.00 O ATOM 20 ND2 ASN A 2 -1.732 11.156 -7.437 1.00 0.00 N ATOM 0 H ASN A 2 -4.708 9.492 -6.412 1.00 0.00 H new ATOM 0 HA ASN A 2 -3.412 7.210 -7.464 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -1.818 9.155 -5.887 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -1.416 8.277 -7.349 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -1.844 11.996 -8.005 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -1.047 11.139 -6.681 1.00 0.00 H new ATOM 27 N VAL A 3 -3.412 5.716 -5.475 1.00 0.00 N ATOM 28 CA VAL A 3 -3.052 4.731 -4.466 1.00 0.00 C ATOM 29 C VAL A 3 -1.720 4.120 -4.848 1.00 0.00 C ATOM 30 O VAL A 3 -1.529 3.730 -6.000 1.00 0.00 O ATOM 31 CB VAL A 3 -4.155 3.671 -4.335 1.00 0.00 C ATOM 32 CG1 VAL A 3 -3.805 2.551 -3.336 1.00 0.00 C ATOM 33 CG2 VAL A 3 -5.407 4.396 -3.831 1.00 0.00 C ATOM 0 H VAL A 3 -3.890 5.316 -6.282 1.00 0.00 H new ATOM 0 HA VAL A 3 -2.954 5.205 -3.489 1.00 0.00 H new ATOM 0 HB VAL A 3 -4.295 3.196 -5.306 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -4.625 1.835 -3.290 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -2.898 2.043 -3.662 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -3.644 2.982 -2.348 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -6.222 3.681 -3.722 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -5.197 4.857 -2.866 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -5.694 5.167 -4.546 1.00 0.00 H new ATOM 43 N GLU A 4 -0.828 3.981 -3.874 1.00 0.00 N ATOM 44 CA GLU A 4 0.484 3.398 -4.061 1.00 0.00 C ATOM 45 C GLU A 4 0.667 2.331 -2.999 1.00 0.00 C ATOM 46 O GLU A 4 0.267 2.540 -1.850 1.00 0.00 O ATOM 47 CB GLU A 4 1.583 4.468 -3.943 1.00 0.00 C ATOM 48 CG GLU A 4 1.277 5.779 -4.672 1.00 0.00 C ATOM 49 CD GLU A 4 2.524 6.644 -4.818 1.00 0.00 C ATOM 50 OE1 GLU A 4 3.206 6.483 -5.853 1.00 0.00 O ATOM 51 OE2 GLU A 4 2.784 7.524 -3.962 1.00 0.00 O ATOM 0 H GLU A 4 -1.006 4.278 -2.915 1.00 0.00 H new ATOM 0 HA GLU A 4 0.562 2.964 -5.058 1.00 0.00 H new ATOM 0 HB2 GLU A 4 1.749 4.685 -2.888 1.00 0.00 H new ATOM 0 HB3 GLU A 4 2.514 4.058 -4.335 1.00 0.00 H new ATOM 0 HG2 GLU A 4 0.867 5.561 -5.658 1.00 0.00 H new ATOM 0 HG3 GLU A 4 0.513 6.331 -4.125 1.00 0.00 H new ATOM 58 N ILE A 5 1.269 1.198 -3.363 1.00 0.00 N ATOM 59 CA ILE A 5 1.491 0.114 -2.419 1.00 0.00 C ATOM 60 C ILE A 5 2.866 -0.499 -2.635 1.00 0.00 C ATOM 61 O ILE A 5 3.184 -0.964 -3.727 1.00 0.00 O ATOM 62 CB ILE A 5 0.313 -0.878 -2.439 1.00 0.00 C ATOM 63 CG1 ILE A 5 0.408 -1.776 -1.183 1.00 0.00 C ATOM 64 CG2 ILE A 5 0.194 -1.717 -3.718 1.00 0.00 C ATOM 65 CD1 ILE A 5 -0.762 -2.751 -1.011 1.00 0.00 C ATOM 0 H ILE A 5 1.610 1.012 -4.306 1.00 0.00 H new ATOM 0 HA ILE A 5 1.508 0.497 -1.399 1.00 0.00 H new ATOM 0 HB ILE A 5 -0.603 -0.287 -2.428 1.00 0.00 H new ATOM 0 HG12 ILE A 5 1.336 -2.346 -1.228 1.00 0.00 H new ATOM 0 HG13 ILE A 5 0.467 -1.140 -0.300 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -0.664 -2.384 -3.637 1.00 0.00 H new ATOM 0 HG22 ILE A 5 0.061 -1.057 -4.575 1.00 0.00 H new ATOM 0 HG23 ILE A 5 1.101 -2.307 -3.852 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -0.614 -3.341 -0.106 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -1.694 -2.191 -0.931 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -0.811 -3.416 -1.873 1.00 0.00 H new ATOM 77 N TYR A 6 3.702 -0.454 -1.604 1.00 0.00 N ATOM 78 CA TYR A 6 5.066 -0.947 -1.678 1.00 0.00 C ATOM 79 C TYR A 6 5.088 -2.401 -1.227 1.00 0.00 C ATOM 80 O TYR A 6 4.493 -2.723 -0.192 1.00 0.00 O ATOM 81 CB TYR A 6 5.999 -0.074 -0.845 1.00 0.00 C ATOM 82 CG TYR A 6 6.188 1.338 -1.383 1.00 0.00 C ATOM 83 CD1 TYR A 6 5.129 2.261 -1.318 1.00 0.00 C ATOM 84 CD2 TYR A 6 7.409 1.731 -1.969 1.00 0.00 C ATOM 85 CE1 TYR A 6 5.283 3.558 -1.822 1.00 0.00 C ATOM 86 CE2 TYR A 6 7.581 3.036 -2.465 1.00 0.00 C ATOM 87 CZ TYR A 6 6.511 3.952 -2.393 1.00 0.00 C ATOM 88 OH TYR A 6 6.628 5.219 -2.867 1.00 0.00 O ATOM 0 H TYR A 6 3.449 -0.073 -0.692 1.00 0.00 H new ATOM 0 HA TYR A 6 5.426 -0.897 -2.706 1.00 0.00 H new ATOM 0 HB2 TYR A 6 5.609 -0.013 0.171 1.00 0.00 H new ATOM 0 HB3 TYR A 6 6.973 -0.560 -0.784 1.00 0.00 H new ATOM 0 HD1 TYR A 6 4.189 1.967 -0.875 1.00 0.00 H new ATOM 0 HD2 TYR A 6 8.221 1.022 -2.038 1.00 0.00 H new ATOM 0 HE1 TYR A 6 4.461 4.257 -1.774 1.00 0.00 H new ATOM 0 HE2 TYR A 6 8.525 3.334 -2.897 1.00 0.00 H new ATOM 0 HH TYR A 6 7.528 5.350 -3.231 1.00 0.00 H new ATOM 98 N THR A 7 5.746 -3.272 -1.995 1.00 0.00 N ATOM 99 CA THR A 7 5.678 -4.721 -1.834 1.00 0.00 C ATOM 100 C THR A 7 7.052 -5.379 -2.056 1.00 0.00 C ATOM 101 O THR A 7 8.002 -4.730 -2.499 1.00 0.00 O ATOM 102 CB THR A 7 4.586 -5.275 -2.777 1.00 0.00 C ATOM 103 OG1 THR A 7 4.912 -5.015 -4.124 1.00 0.00 O ATOM 104 CG2 THR A 7 3.198 -4.660 -2.552 1.00 0.00 C ATOM 0 H THR A 7 6.353 -2.981 -2.761 1.00 0.00 H new ATOM 0 HA THR A 7 5.402 -4.966 -0.808 1.00 0.00 H new ATOM 0 HB THR A 7 4.548 -6.341 -2.553 1.00 0.00 H new ATOM 0 HG1 THR A 7 4.301 -5.509 -4.710 1.00 0.00 H new ATOM 0 HG21 THR A 7 2.487 -5.100 -3.252 1.00 0.00 H new ATOM 0 HG22 THR A 7 2.873 -4.859 -1.531 1.00 0.00 H new ATOM 0 HG23 THR A 7 3.247 -3.583 -2.714 1.00 0.00 H new ATOM 112 N LYS A 8 7.199 -6.665 -1.720 1.00 0.00 N ATOM 113 CA LYS A 8 8.427 -7.450 -1.930 1.00 0.00 C ATOM 114 C LYS A 8 8.091 -8.929 -2.125 1.00 0.00 C ATOM 115 O LYS A 8 6.924 -9.317 -2.060 1.00 0.00 O ATOM 116 CB LYS A 8 9.545 -7.214 -0.875 1.00 0.00 C ATOM 117 CG LYS A 8 9.223 -6.273 0.291 1.00 0.00 C ATOM 118 CD LYS A 8 10.119 -6.476 1.518 1.00 0.00 C ATOM 119 CE LYS A 8 11.622 -6.412 1.228 1.00 0.00 C ATOM 120 NZ LYS A 8 12.403 -6.729 2.439 1.00 0.00 N ATOM 0 H LYS A 8 6.451 -7.205 -1.284 1.00 0.00 H new ATOM 0 HA LYS A 8 8.872 -7.075 -2.852 1.00 0.00 H new ATOM 0 HB2 LYS A 8 9.827 -8.182 -0.460 1.00 0.00 H new ATOM 0 HB3 LYS A 8 10.420 -6.822 -1.393 1.00 0.00 H new ATOM 0 HG2 LYS A 8 9.318 -5.242 -0.050 1.00 0.00 H new ATOM 0 HG3 LYS A 8 8.183 -6.417 0.585 1.00 0.00 H new ATOM 0 HD2 LYS A 8 9.873 -5.717 2.261 1.00 0.00 H new ATOM 0 HD3 LYS A 8 9.889 -7.444 1.963 1.00 0.00 H new ATOM 0 HE2 LYS A 8 11.874 -7.114 0.433 1.00 0.00 H new ATOM 0 HE3 LYS A 8 11.886 -5.417 0.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 13.418 -6.680 2.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 12.177 -6.043 3.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 12.165 -7.688 2.764 1.00 0.00 H new ATOM 134 N GLU A 9 9.132 -9.740 -2.313 1.00 0.00 N ATOM 135 CA GLU A 9 9.123 -11.133 -2.745 1.00 0.00 C ATOM 136 C GLU A 9 8.226 -12.027 -1.897 1.00 0.00 C ATOM 137 O GLU A 9 7.527 -12.891 -2.424 1.00 0.00 O ATOM 138 CB GLU A 9 10.556 -11.689 -2.716 1.00 0.00 C ATOM 139 CG GLU A 9 11.561 -10.763 -3.404 1.00 0.00 C ATOM 140 CD GLU A 9 12.897 -11.452 -3.646 1.00 0.00 C ATOM 141 OE1 GLU A 9 12.994 -12.226 -4.628 1.00 0.00 O ATOM 142 OE2 GLU A 9 13.854 -11.195 -2.877 1.00 0.00 O ATOM 0 H GLU A 9 10.083 -9.408 -2.153 1.00 0.00 H new ATOM 0 HA GLU A 9 8.717 -11.141 -3.757 1.00 0.00 H new ATOM 0 HB2 GLU A 9 10.860 -11.844 -1.681 1.00 0.00 H new ATOM 0 HB3 GLU A 9 10.573 -12.664 -3.203 1.00 0.00 H new ATOM 0 HG2 GLU A 9 11.150 -10.424 -4.355 1.00 0.00 H new ATOM 0 HG3 GLU A 9 11.716 -9.876 -2.790 1.00 0.00 H new ATOM 149 N THR A 10 8.229 -11.803 -0.588 1.00 0.00 N ATOM 150 CA THR A 10 7.448 -12.572 0.360 1.00 0.00 C ATOM 151 C THR A 10 6.789 -11.565 1.291 1.00 0.00 C ATOM 152 O THR A 10 7.444 -10.859 2.064 1.00 0.00 O ATOM 153 CB THR A 10 8.306 -13.685 0.986 1.00 0.00 C ATOM 154 OG1 THR A 10 7.522 -14.494 1.835 1.00 0.00 O ATOM 155 CG2 THR A 10 9.552 -13.216 1.741 1.00 0.00 C ATOM 0 H THR A 10 8.786 -11.068 -0.153 1.00 0.00 H new ATOM 0 HA THR A 10 6.636 -13.146 -0.086 1.00 0.00 H new ATOM 0 HB THR A 10 8.677 -14.251 0.132 1.00 0.00 H new ATOM 0 HG1 THR A 10 8.081 -15.198 2.224 1.00 0.00 H new ATOM 0 HG21 THR A 10 10.082 -14.080 2.141 1.00 0.00 H new ATOM 0 HG22 THR A 10 10.207 -12.672 1.060 1.00 0.00 H new ATOM 0 HG23 THR A 10 9.256 -12.561 2.560 1.00 0.00 H new ATOM 163 N CYS A 11 5.485 -11.385 1.088 1.00 0.00 N ATOM 164 CA CYS A 11 4.702 -10.370 1.751 1.00 0.00 C ATOM 165 C CYS A 11 3.229 -10.788 1.778 1.00 0.00 C ATOM 166 O CYS A 11 2.428 -10.296 0.977 1.00 0.00 O ATOM 167 CB CYS A 11 4.930 -9.027 1.060 1.00 0.00 C ATOM 168 SG CYS A 11 4.189 -7.656 1.965 1.00 0.00 S ATOM 0 H CYS A 11 4.942 -11.958 0.443 1.00 0.00 H new ATOM 0 HA CYS A 11 5.015 -10.257 2.789 1.00 0.00 H new ATOM 0 HB2 CYS A 11 6.001 -8.853 0.954 1.00 0.00 H new ATOM 0 HB3 CYS A 11 4.512 -9.063 0.054 1.00 0.00 H new ATOM 173 N PRO A 12 2.826 -11.668 2.708 1.00 0.00 N ATOM 174 CA PRO A 12 1.431 -12.039 2.871 1.00 0.00 C ATOM 175 C PRO A 12 0.542 -10.828 3.152 1.00 0.00 C ATOM 176 O PRO A 12 -0.572 -10.797 2.639 1.00 0.00 O ATOM 177 CB PRO A 12 1.407 -13.072 3.997 1.00 0.00 C ATOM 178 CG PRO A 12 2.691 -12.808 4.774 1.00 0.00 C ATOM 179 CD PRO A 12 3.651 -12.381 3.670 1.00 0.00 C ATOM 0 HA PRO A 12 1.019 -12.461 1.954 1.00 0.00 H new ATOM 0 HB2 PRO A 12 0.527 -12.952 4.629 1.00 0.00 H new ATOM 0 HB3 PRO A 12 1.381 -14.089 3.604 1.00 0.00 H new ATOM 0 HG2 PRO A 12 2.560 -12.028 5.524 1.00 0.00 H new ATOM 0 HG3 PRO A 12 3.041 -13.698 5.297 1.00 0.00 H new ATOM 0 HD2 PRO A 12 4.443 -11.742 4.061 1.00 0.00 H new ATOM 0 HD3 PRO A 12 4.135 -13.244 3.212 1.00 0.00 H new ATOM 187 N TYR A 13 1.009 -9.796 3.865 1.00 0.00 N ATOM 188 CA TYR A 13 0.180 -8.622 4.135 1.00 0.00 C ATOM 189 C TYR A 13 0.034 -7.774 2.865 1.00 0.00 C ATOM 190 O TYR A 13 -1.012 -7.154 2.682 1.00 0.00 O ATOM 191 CB TYR A 13 0.765 -7.795 5.290 1.00 0.00 C ATOM 192 CG TYR A 13 0.451 -8.296 6.689 1.00 0.00 C ATOM 193 CD1 TYR A 13 0.926 -9.540 7.144 1.00 0.00 C ATOM 194 CD2 TYR A 13 -0.295 -7.487 7.565 1.00 0.00 C ATOM 195 CE1 TYR A 13 0.629 -9.978 8.447 1.00 0.00 C ATOM 196 CE2 TYR A 13 -0.621 -7.930 8.853 1.00 0.00 C ATOM 197 CZ TYR A 13 -0.163 -9.185 9.307 1.00 0.00 C ATOM 198 OH TYR A 13 -0.431 -9.606 10.571 1.00 0.00 O ATOM 0 H TYR A 13 1.948 -9.752 4.261 1.00 0.00 H new ATOM 0 HA TYR A 13 -0.812 -8.957 4.438 1.00 0.00 H new ATOM 0 HB2 TYR A 13 1.848 -7.758 5.173 1.00 0.00 H new ATOM 0 HB3 TYR A 13 0.399 -6.772 5.201 1.00 0.00 H new ATOM 0 HD1 TYR A 13 1.521 -10.161 6.490 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -0.621 -6.510 7.240 1.00 0.00 H new ATOM 0 HE1 TYR A 13 1.009 -10.928 8.793 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -1.224 -7.310 9.500 1.00 0.00 H new ATOM 0 HH TYR A 13 -0.988 -8.940 11.026 1.00 0.00 H new ATOM 208 N CYS A 14 1.012 -7.783 1.950 1.00 0.00 N ATOM 209 CA CYS A 14 0.840 -7.191 0.627 1.00 0.00 C ATOM 210 C CYS A 14 -0.309 -7.910 -0.070 1.00 0.00 C ATOM 211 O CYS A 14 -1.272 -7.266 -0.479 1.00 0.00 O ATOM 212 CB CYS A 14 2.114 -7.271 -0.225 1.00 0.00 C ATOM 213 SG CYS A 14 3.596 -6.470 0.448 1.00 0.00 S ATOM 0 H CYS A 14 1.931 -8.196 2.107 1.00 0.00 H new ATOM 0 HA CYS A 14 0.619 -6.131 0.748 1.00 0.00 H new ATOM 0 HB2 CYS A 14 2.344 -8.323 -0.396 1.00 0.00 H new ATOM 0 HB3 CYS A 14 1.901 -6.829 -1.198 1.00 0.00 H new ATOM 218 N HIS A 15 -0.238 -9.243 -0.135 1.00 0.00 N ATOM 219 CA HIS A 15 -1.285 -10.080 -0.704 1.00 0.00 C ATOM 220 C HIS A 15 -2.646 -9.780 -0.068 1.00 0.00 C ATOM 221 O HIS A 15 -3.611 -9.624 -0.808 1.00 0.00 O ATOM 222 CB HIS A 15 -0.857 -11.554 -0.617 1.00 0.00 C ATOM 223 CG HIS A 15 -1.968 -12.545 -0.845 1.00 0.00 C ATOM 224 ND1 HIS A 15 -2.314 -13.123 -2.051 1.00 0.00 N ATOM 225 CD2 HIS A 15 -2.764 -13.076 0.132 1.00 0.00 C ATOM 226 CE1 HIS A 15 -3.323 -13.980 -1.811 1.00 0.00 C ATOM 227 NE2 HIS A 15 -3.619 -13.961 -0.496 1.00 0.00 N ATOM 0 H HIS A 15 0.561 -9.773 0.212 1.00 0.00 H new ATOM 0 HA HIS A 15 -1.419 -9.849 -1.761 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -0.071 -11.734 -1.351 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -0.423 -11.735 0.366 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -2.731 -12.848 1.187 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -3.818 -14.587 -2.555 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -4.351 -14.508 -0.042 1.00 0.00 H new ATOM 236 N ARG A 16 -2.744 -9.644 1.263 1.00 0.00 N ATOM 237 CA ARG A 16 -3.990 -9.296 1.946 1.00 0.00 C ATOM 238 C ARG A 16 -4.581 -8.011 1.370 1.00 0.00 C ATOM 239 O ARG A 16 -5.684 -8.025 0.829 1.00 0.00 O ATOM 240 CB ARG A 16 -3.789 -9.131 3.472 1.00 0.00 C ATOM 241 CG ARG A 16 -3.377 -10.312 4.364 1.00 0.00 C ATOM 242 CD ARG A 16 -4.332 -11.501 4.336 1.00 0.00 C ATOM 243 NE ARG A 16 -3.975 -12.490 5.370 1.00 0.00 N ATOM 244 CZ ARG A 16 -4.575 -13.675 5.538 1.00 0.00 C ATOM 245 NH1 ARG A 16 -5.540 -14.084 4.729 1.00 0.00 N ATOM 246 NH2 ARG A 16 -4.224 -14.478 6.529 1.00 0.00 N ATOM 0 H ARG A 16 -1.954 -9.774 1.895 1.00 0.00 H new ATOM 0 HA ARG A 16 -4.682 -10.122 1.781 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -3.037 -8.354 3.609 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -4.725 -8.743 3.874 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -2.388 -10.652 4.058 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -3.289 -9.959 5.392 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -5.353 -11.155 4.495 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -4.304 -11.971 3.353 1.00 0.00 H new ATOM 0 HE ARG A 16 -3.213 -12.253 6.005 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -5.843 -13.492 3.956 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -5.981 -14.992 4.879 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -3.488 -14.197 7.177 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -4.690 -15.378 6.645 1.00 0.00 H new ATOM 260 N ALA A 17 -3.859 -6.897 1.482 1.00 0.00 N ATOM 261 CA ALA A 17 -4.366 -5.602 1.053 1.00 0.00 C ATOM 262 C ALA A 17 -4.672 -5.628 -0.447 1.00 0.00 C ATOM 263 O ALA A 17 -5.722 -5.149 -0.865 1.00 0.00 O ATOM 264 CB ALA A 17 -3.271 -4.552 1.307 1.00 0.00 C ATOM 0 H ALA A 17 -2.916 -6.870 1.869 1.00 0.00 H new ATOM 0 HA ALA A 17 -5.277 -5.365 1.603 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -3.628 -3.571 0.993 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -3.030 -4.527 2.370 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -2.378 -4.813 0.739 1.00 0.00 H new ATOM 270 N LYS A 18 -3.767 -6.160 -1.277 1.00 0.00 N ATOM 271 CA LYS A 18 -3.987 -6.181 -2.719 1.00 0.00 C ATOM 272 C LYS A 18 -5.202 -7.021 -3.080 1.00 0.00 C ATOM 273 O LYS A 18 -5.925 -6.630 -3.990 1.00 0.00 O ATOM 274 CB LYS A 18 -2.759 -6.675 -3.491 1.00 0.00 C ATOM 275 CG LYS A 18 -1.584 -5.684 -3.479 1.00 0.00 C ATOM 276 CD LYS A 18 -0.640 -5.917 -4.665 1.00 0.00 C ATOM 277 CE LYS A 18 -0.029 -7.319 -4.673 1.00 0.00 C ATOM 278 NZ LYS A 18 0.530 -7.667 -5.992 1.00 0.00 N ATOM 0 H LYS A 18 -2.886 -6.576 -0.975 1.00 0.00 H new ATOM 0 HA LYS A 18 -4.171 -5.148 -3.016 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.429 -7.622 -3.064 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -3.045 -6.873 -4.524 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -1.967 -4.664 -3.512 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -1.030 -5.786 -2.546 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -1.187 -5.759 -5.595 1.00 0.00 H new ATOM 0 HD3 LYS A 18 0.160 -5.178 -4.637 1.00 0.00 H new ATOM 0 HE2 LYS A 18 0.756 -7.377 -3.919 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -0.790 -8.049 -4.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 1.480 -8.071 -5.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -0.086 -8.364 -6.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 0.590 -6.811 -6.580 1.00 0.00 H new ATOM 292 N ALA A 19 -5.479 -8.113 -2.363 1.00 0.00 N ATOM 293 CA ALA A 19 -6.650 -8.928 -2.641 1.00 0.00 C ATOM 294 C ALA A 19 -7.927 -8.121 -2.413 1.00 0.00 C ATOM 295 O ALA A 19 -8.878 -8.296 -3.175 1.00 0.00 O ATOM 296 CB ALA A 19 -6.643 -10.197 -1.789 1.00 0.00 C ATOM 0 H ALA A 19 -4.906 -8.447 -1.588 1.00 0.00 H new ATOM 0 HA ALA A 19 -6.620 -9.230 -3.688 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -7.529 -10.791 -2.014 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -5.749 -10.780 -2.011 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -6.646 -9.926 -0.733 1.00 0.00 H new ATOM 302 N LEU A 20 -7.947 -7.206 -1.431 1.00 0.00 N ATOM 303 CA LEU A 20 -9.073 -6.275 -1.292 1.00 0.00 C ATOM 304 C LEU A 20 -9.205 -5.460 -2.565 1.00 0.00 C ATOM 305 O LEU A 20 -10.287 -5.375 -3.132 1.00 0.00 O ATOM 306 CB LEU A 20 -8.939 -5.294 -0.109 1.00 0.00 C ATOM 307 CG LEU A 20 -9.691 -5.743 1.143 1.00 0.00 C ATOM 308 CD1 LEU A 20 -9.030 -6.990 1.735 1.00 0.00 C ATOM 309 CD2 LEU A 20 -9.719 -4.604 2.167 1.00 0.00 C ATOM 0 H LEU A 20 -7.210 -7.093 -0.735 1.00 0.00 H new ATOM 0 HA LEU A 20 -9.951 -6.892 -1.101 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -7.883 -5.173 0.135 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -9.310 -4.316 -0.415 1.00 0.00 H new ATOM 0 HG LEU A 20 -10.717 -5.995 0.876 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -9.574 -7.301 2.627 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -9.047 -7.795 1.000 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -7.997 -6.763 2.000 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -10.256 -4.929 3.058 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -8.699 -4.333 2.437 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -10.222 -3.739 1.735 1.00 0.00 H new ATOM 321 N LEU A 21 -8.118 -4.830 -2.998 1.00 0.00 N ATOM 322 CA LEU A 21 -8.142 -3.863 -4.084 1.00 0.00 C ATOM 323 C LEU A 21 -8.536 -4.525 -5.405 1.00 0.00 C ATOM 324 O LEU A 21 -9.372 -3.995 -6.139 1.00 0.00 O ATOM 325 CB LEU A 21 -6.778 -3.170 -4.182 1.00 0.00 C ATOM 326 CG LEU A 21 -6.365 -2.379 -2.927 1.00 0.00 C ATOM 327 CD1 LEU A 21 -5.085 -1.602 -3.220 1.00 0.00 C ATOM 328 CD2 LEU A 21 -7.449 -1.409 -2.452 1.00 0.00 C ATOM 0 H LEU A 21 -7.190 -4.979 -2.601 1.00 0.00 H new ATOM 0 HA LEU A 21 -8.900 -3.109 -3.873 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.017 -3.923 -4.386 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -6.791 -2.491 -5.034 1.00 0.00 H new ATOM 0 HG LEU A 21 -6.207 -3.102 -2.127 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -4.789 -1.041 -2.334 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -4.291 -2.298 -3.490 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.259 -0.912 -4.045 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -7.101 -0.880 -1.565 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -7.665 -0.689 -3.242 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -8.355 -1.965 -2.211 1.00 0.00 H new ATOM 340 N SER A 22 -7.989 -5.701 -5.696 1.00 0.00 N ATOM 341 CA SER A 22 -8.326 -6.465 -6.884 1.00 0.00 C ATOM 342 C SER A 22 -9.793 -6.912 -6.826 1.00 0.00 C ATOM 343 O SER A 22 -10.480 -6.873 -7.853 1.00 0.00 O ATOM 344 CB SER A 22 -7.347 -7.636 -7.014 1.00 0.00 C ATOM 345 OG SER A 22 -6.017 -7.144 -7.100 1.00 0.00 O ATOM 0 H SER A 22 -7.292 -6.152 -5.104 1.00 0.00 H new ATOM 0 HA SER A 22 -8.228 -5.850 -7.779 1.00 0.00 H new ATOM 0 HB2 SER A 22 -7.444 -8.300 -6.155 1.00 0.00 H new ATOM 0 HB3 SER A 22 -7.585 -8.224 -7.900 1.00 0.00 H new ATOM 0 HG SER A 22 -5.705 -6.886 -6.207 1.00 0.00 H new ATOM 351 N SER A 23 -10.320 -7.231 -5.637 1.00 0.00 N ATOM 352 CA SER A 23 -11.737 -7.530 -5.464 1.00 0.00 C ATOM 353 C SER A 23 -12.617 -6.276 -5.555 1.00 0.00 C ATOM 354 O SER A 23 -13.752 -6.371 -6.025 1.00 0.00 O ATOM 355 CB SER A 23 -11.989 -8.237 -4.130 1.00 0.00 C ATOM 356 OG SER A 23 -11.475 -9.559 -4.117 1.00 0.00 O ATOM 0 H SER A 23 -9.776 -7.287 -4.776 1.00 0.00 H new ATOM 0 HA SER A 23 -12.013 -8.193 -6.284 1.00 0.00 H new ATOM 0 HB2 SER A 23 -11.530 -7.663 -3.325 1.00 0.00 H new ATOM 0 HB3 SER A 23 -13.061 -8.264 -3.932 1.00 0.00 H new ATOM 0 HG SER A 23 -10.539 -9.543 -3.828 1.00 0.00 H new ATOM 362 N LYS A 24 -12.127 -5.096 -5.161 1.00 0.00 N ATOM 363 CA LYS A 24 -12.808 -3.819 -5.336 1.00 0.00 C ATOM 364 C LYS A 24 -12.736 -3.391 -6.803 1.00 0.00 C ATOM 365 O LYS A 24 -13.443 -2.465 -7.211 1.00 0.00 O ATOM 366 CB LYS A 24 -12.146 -2.774 -4.421 1.00 0.00 C ATOM 367 CG LYS A 24 -12.373 -2.977 -2.910 1.00 0.00 C ATOM 368 CD LYS A 24 -13.520 -2.144 -2.320 1.00 0.00 C ATOM 369 CE LYS A 24 -14.884 -2.561 -2.872 1.00 0.00 C ATOM 370 NZ LYS A 24 -15.991 -1.914 -2.147 1.00 0.00 N ATOM 0 H LYS A 24 -11.222 -5.006 -4.700 1.00 0.00 H new ATOM 0 HA LYS A 24 -13.860 -3.911 -5.064 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -11.073 -2.776 -4.613 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -12.517 -1.787 -4.697 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -12.574 -4.032 -2.724 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -11.452 -2.730 -2.381 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -13.522 -2.250 -1.235 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -13.349 -1.090 -2.537 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -14.942 -2.302 -3.929 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -14.988 -3.644 -2.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -16.895 -2.323 -2.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -15.874 -2.069 -1.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -15.986 -0.893 -2.345 1.00 0.00 H new ATOM 384 N GLY A 25 -11.926 -4.068 -7.618 1.00 0.00 N ATOM 385 CA GLY A 25 -11.875 -3.880 -9.049 1.00 0.00 C ATOM 386 C GLY A 25 -11.284 -2.526 -9.372 1.00 0.00 C ATOM 387 O GLY A 25 -11.874 -1.796 -10.170 1.00 0.00 O ATOM 0 H GLY A 25 -11.275 -4.778 -7.282 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -11.275 -4.666 -9.506 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -12.877 -3.958 -9.470 1.00 0.00 H new ATOM 391 N VAL A 26 -10.181 -2.189 -8.707 1.00 0.00 N ATOM 392 CA VAL A 26 -9.481 -0.914 -8.859 1.00 0.00 C ATOM 393 C VAL A 26 -8.123 -1.133 -9.523 1.00 0.00 C ATOM 394 O VAL A 26 -7.680 -2.272 -9.688 1.00 0.00 O ATOM 395 CB VAL A 26 -9.367 -0.191 -7.496 1.00 0.00 C ATOM 396 CG1 VAL A 26 -10.661 -0.232 -6.678 1.00 0.00 C ATOM 397 CG2 VAL A 26 -8.235 -0.741 -6.622 1.00 0.00 C ATOM 0 H VAL A 26 -9.738 -2.810 -8.030 1.00 0.00 H new ATOM 0 HA VAL A 26 -10.058 -0.261 -9.514 1.00 0.00 H new ATOM 0 HB VAL A 26 -9.149 0.842 -7.767 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -10.512 0.293 -5.734 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -11.461 0.250 -7.239 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -10.932 -1.269 -6.478 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -8.205 -0.194 -5.679 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -8.410 -1.798 -6.423 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.284 -0.622 -7.141 1.00 0.00 H new ATOM 407 N SER A 27 -7.412 -0.042 -9.798 1.00 0.00 N ATOM 408 CA SER A 27 -6.040 -0.060 -10.280 1.00 0.00 C ATOM 409 C SER A 27 -5.238 0.957 -9.467 1.00 0.00 C ATOM 410 O SER A 27 -5.330 2.172 -9.648 1.00 0.00 O ATOM 411 CB SER A 27 -5.993 0.207 -11.783 1.00 0.00 C ATOM 412 OG SER A 27 -6.780 -0.743 -12.484 1.00 0.00 O ATOM 0 H SER A 27 -7.786 0.900 -9.688 1.00 0.00 H new ATOM 0 HA SER A 27 -5.592 -1.044 -10.140 1.00 0.00 H new ATOM 0 HB2 SER A 27 -6.357 1.213 -11.991 1.00 0.00 H new ATOM 0 HB3 SER A 27 -4.962 0.163 -12.134 1.00 0.00 H new ATOM 0 HG SER A 27 -6.740 -0.556 -13.445 1.00 0.00 H new ATOM 418 N PHE A 28 -4.527 0.417 -8.486 1.00 0.00 N ATOM 419 CA PHE A 28 -3.534 1.056 -7.629 1.00 0.00 C ATOM 420 C PHE A 28 -2.157 0.867 -8.280 1.00 0.00 C ATOM 421 O PHE A 28 -1.991 -0.009 -9.137 1.00 0.00 O ATOM 422 CB PHE A 28 -3.553 0.347 -6.271 1.00 0.00 C ATOM 423 CG PHE A 28 -3.420 -1.168 -6.368 1.00 0.00 C ATOM 424 CD1 PHE A 28 -4.550 -1.983 -6.581 1.00 0.00 C ATOM 425 CD2 PHE A 28 -2.148 -1.759 -6.323 1.00 0.00 C ATOM 426 CE1 PHE A 28 -4.410 -3.372 -6.735 1.00 0.00 C ATOM 427 CE2 PHE A 28 -2.004 -3.149 -6.469 1.00 0.00 C ATOM 428 CZ PHE A 28 -3.136 -3.957 -6.671 1.00 0.00 C ATOM 0 H PHE A 28 -4.640 -0.568 -8.248 1.00 0.00 H new ATOM 0 HA PHE A 28 -3.746 2.117 -7.499 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -2.740 0.735 -5.657 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -4.484 0.589 -5.758 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -5.532 -1.536 -6.626 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -1.274 -1.142 -6.175 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -5.281 -3.988 -6.902 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -1.022 -3.597 -6.426 1.00 0.00 H new ATOM 0 HZ PHE A 28 -3.026 -5.026 -6.777 1.00 0.00 H new ATOM 438 N GLN A 29 -1.149 1.607 -7.834 1.00 0.00 N ATOM 439 CA GLN A 29 0.229 1.469 -8.293 1.00 0.00 C ATOM 440 C GLN A 29 0.972 0.600 -7.296 1.00 0.00 C ATOM 441 O GLN A 29 0.801 0.769 -6.093 1.00 0.00 O ATOM 442 CB GLN A 29 0.853 2.861 -8.438 1.00 0.00 C ATOM 443 CG GLN A 29 2.381 2.967 -8.364 1.00 0.00 C ATOM 444 CD GLN A 29 2.867 4.244 -9.052 1.00 0.00 C ATOM 445 OE1 GLN A 29 2.898 4.311 -10.281 1.00 0.00 O ATOM 446 NE2 GLN A 29 3.261 5.284 -8.336 1.00 0.00 N ATOM 0 H GLN A 29 -1.268 2.334 -7.129 1.00 0.00 H new ATOM 0 HA GLN A 29 0.282 0.990 -9.271 1.00 0.00 H new ATOM 0 HB2 GLN A 29 0.534 3.274 -9.395 1.00 0.00 H new ATOM 0 HB3 GLN A 29 0.434 3.499 -7.660 1.00 0.00 H new ATOM 0 HG2 GLN A 29 2.701 2.965 -7.322 1.00 0.00 H new ATOM 0 HG3 GLN A 29 2.835 2.097 -8.839 1.00 0.00 H new ATOM 0 HE21 GLN A 29 3.239 5.239 -7.317 1.00 0.00 H new ATOM 0 HE22 GLN A 29 3.586 6.131 -8.803 1.00 0.00 H new ATOM 455 N GLU A 30 1.807 -0.310 -7.786 1.00 0.00 N ATOM 456 CA GLU A 30 2.581 -1.225 -6.954 1.00 0.00 C ATOM 457 C GLU A 30 4.069 -0.938 -7.133 1.00 0.00 C ATOM 458 O GLU A 30 4.527 -0.747 -8.262 1.00 0.00 O ATOM 459 CB GLU A 30 2.196 -2.674 -7.264 1.00 0.00 C ATOM 460 CG GLU A 30 2.957 -3.639 -6.343 1.00 0.00 C ATOM 461 CD GLU A 30 2.455 -5.082 -6.397 1.00 0.00 C ATOM 462 OE1 GLU A 30 1.462 -5.379 -7.089 1.00 0.00 O ATOM 463 OE2 GLU A 30 3.014 -5.940 -5.675 1.00 0.00 O ATOM 0 H GLU A 30 1.968 -0.435 -8.786 1.00 0.00 H new ATOM 0 HA GLU A 30 2.352 -1.070 -5.900 1.00 0.00 H new ATOM 0 HB2 GLU A 30 1.122 -2.807 -7.133 1.00 0.00 H new ATOM 0 HB3 GLU A 30 2.421 -2.902 -8.306 1.00 0.00 H new ATOM 0 HG2 GLU A 30 4.013 -3.623 -6.612 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.884 -3.279 -5.317 1.00 0.00 H new ATOM 470 N LEU A 31 4.821 -0.913 -6.033 1.00 0.00 N ATOM 471 CA LEU A 31 6.198 -0.437 -5.952 1.00 0.00 C ATOM 472 C LEU A 31 7.092 -1.495 -5.299 1.00 0.00 C ATOM 473 O LEU A 31 6.996 -1.709 -4.091 1.00 0.00 O ATOM 474 CB LEU A 31 6.213 0.872 -5.154 1.00 0.00 C ATOM 475 CG LEU A 31 5.607 2.033 -5.967 1.00 0.00 C ATOM 476 CD1 LEU A 31 4.479 2.716 -5.216 1.00 0.00 C ATOM 477 CD2 LEU A 31 6.692 3.053 -6.304 1.00 0.00 C ATOM 0 H LEU A 31 4.469 -1.240 -5.133 1.00 0.00 H new ATOM 0 HA LEU A 31 6.591 -0.254 -6.952 1.00 0.00 H new ATOM 0 HB2 LEU A 31 5.652 0.742 -4.228 1.00 0.00 H new ATOM 0 HB3 LEU A 31 7.237 1.118 -4.874 1.00 0.00 H new ATOM 0 HG LEU A 31 5.194 1.615 -6.885 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.078 3.529 -5.822 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.689 1.993 -5.010 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.858 3.117 -4.276 1.00 0.00 H new ATOM 0 HD21 LEU A 31 6.257 3.871 -6.879 1.00 0.00 H new ATOM 0 HD22 LEU A 31 7.121 3.445 -5.382 1.00 0.00 H new ATOM 0 HD23 LEU A 31 7.474 2.572 -6.892 1.00 0.00 H new ATOM 489 N PRO A 32 7.944 -2.195 -6.055 1.00 0.00 N ATOM 490 CA PRO A 32 8.720 -3.293 -5.508 1.00 0.00 C ATOM 491 C PRO A 32 9.932 -2.800 -4.720 1.00 0.00 C ATOM 492 O PRO A 32 10.568 -1.813 -5.092 1.00 0.00 O ATOM 493 CB PRO A 32 9.194 -4.077 -6.732 1.00 0.00 C ATOM 494 CG PRO A 32 9.308 -3.019 -7.831 1.00 0.00 C ATOM 495 CD PRO A 32 8.222 -2.005 -7.470 1.00 0.00 C ATOM 0 HA PRO A 32 8.124 -3.887 -4.815 1.00 0.00 H new ATOM 0 HB2 PRO A 32 10.151 -4.565 -6.547 1.00 0.00 H new ATOM 0 HB3 PRO A 32 8.485 -4.859 -7.004 1.00 0.00 H new ATOM 0 HG2 PRO A 32 10.296 -2.560 -7.844 1.00 0.00 H new ATOM 0 HG3 PRO A 32 9.143 -3.448 -8.819 1.00 0.00 H new ATOM 0 HD2 PRO A 32 8.559 -0.987 -7.667 1.00 0.00 H new ATOM 0 HD3 PRO A 32 7.325 -2.166 -8.068 1.00 0.00 H new ATOM 503 N ILE A 33 10.284 -3.504 -3.645 1.00 0.00 N ATOM 504 CA ILE A 33 11.553 -3.320 -2.936 1.00 0.00 C ATOM 505 C ILE A 33 12.499 -4.453 -3.380 1.00 0.00 C ATOM 506 O ILE A 33 13.710 -4.400 -3.170 1.00 0.00 O ATOM 507 CB ILE A 33 11.405 -3.217 -1.407 1.00 0.00 C ATOM 508 CG1 ILE A 33 10.145 -2.456 -0.949 1.00 0.00 C ATOM 509 CG2 ILE A 33 12.659 -2.528 -0.820 1.00 0.00 C ATOM 510 CD1 ILE A 33 10.109 -0.965 -1.304 1.00 0.00 C ATOM 0 H ILE A 33 9.691 -4.226 -3.236 1.00 0.00 H new ATOM 0 HA ILE A 33 11.978 -2.353 -3.205 1.00 0.00 H new ATOM 0 HB ILE A 33 11.300 -4.237 -1.037 1.00 0.00 H new ATOM 0 HG12 ILE A 33 9.271 -2.937 -1.388 1.00 0.00 H new ATOM 0 HG13 ILE A 33 10.054 -2.556 0.133 1.00 0.00 H new ATOM 0 HG21 ILE A 33 12.559 -2.452 0.263 1.00 0.00 H new ATOM 0 HG22 ILE A 33 13.544 -3.116 -1.063 1.00 0.00 H new ATOM 0 HG23 ILE A 33 12.758 -1.530 -1.246 1.00 0.00 H new ATOM 0 HD11 ILE A 33 9.182 -0.526 -0.937 1.00 0.00 H new ATOM 0 HD12 ILE A 33 10.957 -0.460 -0.842 1.00 0.00 H new ATOM 0 HD13 ILE A 33 10.162 -0.847 -2.386 1.00 0.00 H new ATOM 522 N ASP A 34 11.962 -5.505 -3.997 1.00 0.00 N ATOM 523 CA ASP A 34 12.738 -6.527 -4.680 1.00 0.00 C ATOM 524 C ASP A 34 13.378 -5.849 -5.888 1.00 0.00 C ATOM 525 O ASP A 34 12.699 -5.103 -6.598 1.00 0.00 O ATOM 526 CB ASP A 34 11.799 -7.640 -5.138 1.00 0.00 C ATOM 527 CG ASP A 34 12.527 -8.683 -5.983 1.00 0.00 C ATOM 528 OD1 ASP A 34 13.733 -8.932 -5.770 1.00 0.00 O ATOM 529 OD2 ASP A 34 11.905 -9.239 -6.912 1.00 0.00 O ATOM 0 H ASP A 34 10.956 -5.669 -4.034 1.00 0.00 H new ATOM 0 HA ASP A 34 13.498 -6.963 -4.032 1.00 0.00 H new ATOM 0 HB2 ASP A 34 11.355 -8.123 -4.267 1.00 0.00 H new ATOM 0 HB3 ASP A 34 10.981 -7.211 -5.716 1.00 0.00 H new ATOM 534 N GLY A 35 14.673 -6.050 -6.114 1.00 0.00 N ATOM 535 CA GLY A 35 15.386 -5.417 -7.213 1.00 0.00 C ATOM 536 C GLY A 35 15.517 -3.897 -7.068 1.00 0.00 C ATOM 537 O GLY A 35 15.860 -3.227 -8.044 1.00 0.00 O ATOM 0 H GLY A 35 15.256 -6.657 -5.538 1.00 0.00 H new ATOM 0 HA2 GLY A 35 16.382 -5.853 -7.287 1.00 0.00 H new ATOM 0 HA3 GLY A 35 14.870 -5.641 -8.146 1.00 0.00 H new ATOM 541 N ASN A 36 15.216 -3.319 -5.900 1.00 0.00 N ATOM 542 CA ASN A 36 15.183 -1.876 -5.652 1.00 0.00 C ATOM 543 C ASN A 36 16.083 -1.572 -4.462 1.00 0.00 C ATOM 544 O ASN A 36 16.028 -2.256 -3.441 1.00 0.00 O ATOM 545 CB ASN A 36 13.729 -1.425 -5.416 1.00 0.00 C ATOM 546 CG ASN A 36 13.522 -0.108 -4.649 1.00 0.00 C ATOM 547 OD1 ASN A 36 14.374 0.776 -4.571 1.00 0.00 O ATOM 548 ND2 ASN A 36 12.367 0.060 -4.026 1.00 0.00 N ATOM 0 H ASN A 36 14.980 -3.865 -5.071 1.00 0.00 H new ATOM 0 HA ASN A 36 15.555 -1.321 -6.513 1.00 0.00 H new ATOM 0 HB2 ASN A 36 13.241 -1.332 -6.386 1.00 0.00 H new ATOM 0 HB3 ASN A 36 13.212 -2.217 -4.874 1.00 0.00 H new ATOM 0 HD21 ASN A 36 12.195 0.912 -3.492 1.00 0.00 H new ATOM 0 HD22 ASN A 36 11.649 -0.662 -4.080 1.00 0.00 H new ATOM 555 N ALA A 37 16.851 -0.495 -4.561 1.00 0.00 N ATOM 556 CA ALA A 37 17.834 -0.037 -3.594 1.00 0.00 C ATOM 557 C ALA A 37 18.117 1.422 -3.950 1.00 0.00 C ATOM 558 O ALA A 37 19.255 1.839 -4.189 1.00 0.00 O ATOM 559 CB ALA A 37 19.096 -0.901 -3.682 1.00 0.00 C ATOM 0 H ALA A 37 16.799 0.120 -5.373 1.00 0.00 H new ATOM 0 HA ALA A 37 17.477 -0.118 -2.567 1.00 0.00 H new ATOM 0 HB1 ALA A 37 19.828 -0.551 -2.954 1.00 0.00 H new ATOM 0 HB2 ALA A 37 18.841 -1.940 -3.470 1.00 0.00 H new ATOM 0 HB3 ALA A 37 19.518 -0.828 -4.684 1.00 0.00 H new ATOM 565 N ALA A 38 17.025 2.189 -3.986 1.00 0.00 N ATOM 566 CA ALA A 38 16.956 3.601 -4.326 1.00 0.00 C ATOM 567 C ALA A 38 15.617 4.164 -3.839 1.00 0.00 C ATOM 568 O ALA A 38 15.613 5.140 -3.091 1.00 0.00 O ATOM 569 CB ALA A 38 17.093 3.785 -5.844 1.00 0.00 C ATOM 0 H ALA A 38 16.106 1.808 -3.762 1.00 0.00 H new ATOM 0 HA ALA A 38 17.773 4.137 -3.842 1.00 0.00 H new ATOM 0 HB1 ALA A 38 17.040 4.846 -6.088 1.00 0.00 H new ATOM 0 HB2 ALA A 38 18.051 3.384 -6.174 1.00 0.00 H new ATOM 0 HB3 ALA A 38 16.285 3.256 -6.349 1.00 0.00 H new ATOM 575 N LYS A 39 14.475 3.550 -4.176 1.00 0.00 N ATOM 576 CA LYS A 39 13.197 3.919 -3.548 1.00 0.00 C ATOM 577 C LYS A 39 12.995 3.146 -2.243 1.00 0.00 C ATOM 578 O LYS A 39 12.072 3.429 -1.487 1.00 0.00 O ATOM 579 CB LYS A 39 12.025 3.809 -4.543 1.00 0.00 C ATOM 580 CG LYS A 39 12.363 4.588 -5.829 1.00 0.00 C ATOM 581 CD LYS A 39 11.179 5.191 -6.589 1.00 0.00 C ATOM 582 CE LYS A 39 10.188 4.154 -7.122 1.00 0.00 C ATOM 583 NZ LYS A 39 9.252 4.773 -8.082 1.00 0.00 N ATOM 0 H LYS A 39 14.408 2.806 -4.870 1.00 0.00 H new ATOM 0 HA LYS A 39 13.227 4.972 -3.268 1.00 0.00 H new ATOM 0 HB2 LYS A 39 11.833 2.763 -4.780 1.00 0.00 H new ATOM 0 HB3 LYS A 39 11.115 4.206 -4.094 1.00 0.00 H new ATOM 0 HG2 LYS A 39 13.049 5.394 -5.570 1.00 0.00 H new ATOM 0 HG3 LYS A 39 12.897 3.919 -6.504 1.00 0.00 H new ATOM 0 HD2 LYS A 39 10.650 5.879 -5.930 1.00 0.00 H new ATOM 0 HD3 LYS A 39 11.558 5.779 -7.425 1.00 0.00 H new ATOM 0 HE2 LYS A 39 10.729 3.341 -7.607 1.00 0.00 H new ATOM 0 HE3 LYS A 39 9.631 3.716 -6.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 8.588 4.054 -8.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 8.722 5.533 -7.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 9.786 5.169 -8.881 1.00 0.00 H new ATOM 597 N ARG A 40 13.874 2.178 -1.962 1.00 0.00 N ATOM 598 CA ARG A 40 13.950 1.425 -0.721 1.00 0.00 C ATOM 599 C ARG A 40 14.056 2.394 0.447 1.00 0.00 C ATOM 600 O ARG A 40 13.184 2.395 1.305 1.00 0.00 O ATOM 601 CB ARG A 40 15.148 0.459 -0.799 1.00 0.00 C ATOM 602 CG ARG A 40 15.399 -0.298 0.513 1.00 0.00 C ATOM 603 CD ARG A 40 16.565 -1.283 0.368 1.00 0.00 C ATOM 604 NE ARG A 40 17.044 -1.711 1.691 1.00 0.00 N ATOM 605 CZ ARG A 40 16.625 -2.747 2.426 1.00 0.00 C ATOM 606 NH1 ARG A 40 15.825 -3.677 1.920 1.00 0.00 N ATOM 607 NH2 ARG A 40 17.013 -2.860 3.690 1.00 0.00 N ATOM 0 H ARG A 40 14.585 1.889 -2.634 1.00 0.00 H new ATOM 0 HA ARG A 40 13.051 0.828 -0.567 1.00 0.00 H new ATOM 0 HB2 ARG A 40 14.975 -0.261 -1.599 1.00 0.00 H new ATOM 0 HB3 ARG A 40 16.043 1.021 -1.064 1.00 0.00 H new ATOM 0 HG2 ARG A 40 15.616 0.413 1.310 1.00 0.00 H new ATOM 0 HG3 ARG A 40 14.497 -0.837 0.803 1.00 0.00 H new ATOM 0 HD2 ARG A 40 16.246 -2.151 -0.208 1.00 0.00 H new ATOM 0 HD3 ARG A 40 17.378 -0.814 -0.186 1.00 0.00 H new ATOM 0 HE ARG A 40 17.789 -1.147 2.099 1.00 0.00 H new ATOM 0 HH11 ARG A 40 15.516 -3.611 0.950 1.00 0.00 H new ATOM 0 HH12 ARG A 40 15.519 -4.458 2.501 1.00 0.00 H new ATOM 0 HH21 ARG A 40 17.629 -2.158 4.099 1.00 0.00 H new ATOM 0 HH22 ARG A 40 16.695 -3.649 4.253 1.00 0.00 H new ATOM 621 N GLU A 41 15.123 3.186 0.511 1.00 0.00 N ATOM 622 CA GLU A 41 15.328 4.088 1.641 1.00 0.00 C ATOM 623 C GLU A 41 14.416 5.311 1.543 1.00 0.00 C ATOM 624 O GLU A 41 14.081 5.903 2.566 1.00 0.00 O ATOM 625 CB GLU A 41 16.798 4.484 1.768 1.00 0.00 C ATOM 626 CG GLU A 41 17.693 3.265 2.029 1.00 0.00 C ATOM 627 CD GLU A 41 19.138 3.563 1.661 1.00 0.00 C ATOM 628 OE1 GLU A 41 19.492 3.396 0.468 1.00 0.00 O ATOM 629 OE2 GLU A 41 19.930 3.885 2.576 1.00 0.00 O ATOM 0 H GLU A 41 15.854 3.222 -0.200 1.00 0.00 H new ATOM 0 HA GLU A 41 15.056 3.555 2.552 1.00 0.00 H new ATOM 0 HB2 GLU A 41 17.121 4.984 0.855 1.00 0.00 H new ATOM 0 HB3 GLU A 41 16.913 5.201 2.581 1.00 0.00 H new ATOM 0 HG2 GLU A 41 17.632 2.983 3.080 1.00 0.00 H new ATOM 0 HG3 GLU A 41 17.334 2.415 1.449 1.00 0.00 H new ATOM 636 N GLU A 42 13.920 5.648 0.347 1.00 0.00 N ATOM 637 CA GLU A 42 12.869 6.652 0.222 1.00 0.00 C ATOM 638 C GLU A 42 11.625 6.204 1.002 1.00 0.00 C ATOM 639 O GLU A 42 10.946 7.028 1.614 1.00 0.00 O ATOM 640 CB GLU A 42 12.550 6.921 -1.254 1.00 0.00 C ATOM 641 CG GLU A 42 11.793 8.241 -1.456 1.00 0.00 C ATOM 642 CD GLU A 42 12.720 9.451 -1.362 1.00 0.00 C ATOM 643 OE1 GLU A 42 12.986 9.925 -0.235 1.00 0.00 O ATOM 644 OE2 GLU A 42 13.237 9.904 -2.414 1.00 0.00 O ATOM 0 H GLU A 42 14.228 5.243 -0.537 1.00 0.00 H new ATOM 0 HA GLU A 42 13.217 7.591 0.652 1.00 0.00 H new ATOM 0 HB2 GLU A 42 13.478 6.946 -1.825 1.00 0.00 H new ATOM 0 HB3 GLU A 42 11.954 6.099 -1.650 1.00 0.00 H new ATOM 0 HG2 GLU A 42 11.304 8.233 -2.430 1.00 0.00 H new ATOM 0 HG3 GLU A 42 11.007 8.327 -0.706 1.00 0.00 H new ATOM 651 N MET A 43 11.362 4.891 1.086 1.00 0.00 N ATOM 652 CA MET A 43 10.299 4.358 1.911 1.00 0.00 C ATOM 653 C MET A 43 10.473 4.699 3.387 1.00 0.00 C ATOM 654 O MET A 43 9.476 4.712 4.100 1.00 0.00 O ATOM 655 CB MET A 43 10.078 2.849 1.702 1.00 0.00 C ATOM 656 CG MET A 43 8.754 2.370 2.302 1.00 0.00 C ATOM 657 SD MET A 43 8.078 0.857 1.580 1.00 0.00 S ATOM 658 CE MET A 43 9.333 -0.374 2.001 1.00 0.00 C ATOM 0 H MET A 43 11.888 4.179 0.579 1.00 0.00 H new ATOM 0 HA MET A 43 9.391 4.858 1.573 1.00 0.00 H new ATOM 0 HB2 MET A 43 10.093 2.626 0.635 1.00 0.00 H new ATOM 0 HB3 MET A 43 10.901 2.297 2.155 1.00 0.00 H new ATOM 0 HG2 MET A 43 8.896 2.211 3.371 1.00 0.00 H new ATOM 0 HG3 MET A 43 8.017 3.165 2.193 1.00 0.00 H new ATOM 0 HE1 MET A 43 9.042 -1.343 1.597 1.00 0.00 H new ATOM 0 HE2 MET A 43 10.292 -0.077 1.576 1.00 0.00 H new ATOM 0 HE3 MET A 43 9.423 -0.445 3.085 1.00 0.00 H new ATOM 668 N ILE A 44 11.668 5.033 3.863 1.00 0.00 N ATOM 669 CA ILE A 44 11.835 5.576 5.209 1.00 0.00 C ATOM 670 C ILE A 44 11.127 6.934 5.233 1.00 0.00 C ATOM 671 O ILE A 44 10.192 7.138 6.001 1.00 0.00 O ATOM 672 CB ILE A 44 13.324 5.707 5.628 1.00 0.00 C ATOM 673 CG1 ILE A 44 14.171 4.428 5.441 1.00 0.00 C ATOM 674 CG2 ILE A 44 13.393 6.143 7.101 1.00 0.00 C ATOM 675 CD1 ILE A 44 15.679 4.719 5.452 1.00 0.00 C ATOM 0 H ILE A 44 12.537 4.938 3.337 1.00 0.00 H new ATOM 0 HA ILE A 44 11.398 4.891 5.935 1.00 0.00 H new ATOM 0 HB ILE A 44 13.757 6.450 4.958 1.00 0.00 H new ATOM 0 HG12 ILE A 44 13.934 3.719 6.235 1.00 0.00 H new ATOM 0 HG13 ILE A 44 13.902 3.952 4.498 1.00 0.00 H new ATOM 0 HG21 ILE A 44 14.436 6.238 7.404 1.00 0.00 H new ATOM 0 HG22 ILE A 44 12.892 7.104 7.220 1.00 0.00 H new ATOM 0 HG23 ILE A 44 12.900 5.397 7.725 1.00 0.00 H new ATOM 0 HD11 ILE A 44 16.230 3.788 5.317 1.00 0.00 H new ATOM 0 HD12 ILE A 44 15.923 5.406 4.642 1.00 0.00 H new ATOM 0 HD13 ILE A 44 15.956 5.170 6.405 1.00 0.00 H new ATOM 687 N LYS A 45 11.541 7.860 4.369 1.00 0.00 N ATOM 688 CA LYS A 45 11.082 9.247 4.368 1.00 0.00 C ATOM 689 C LYS A 45 9.609 9.369 3.956 1.00 0.00 C ATOM 690 O LYS A 45 8.965 10.377 4.249 1.00 0.00 O ATOM 691 CB LYS A 45 12.009 10.081 3.463 1.00 0.00 C ATOM 692 CG LYS A 45 13.383 10.416 4.085 1.00 0.00 C ATOM 693 CD LYS A 45 14.227 9.218 4.552 1.00 0.00 C ATOM 694 CE LYS A 45 15.676 9.622 4.837 1.00 0.00 C ATOM 695 NZ LYS A 45 16.539 9.471 3.649 1.00 0.00 N ATOM 0 H LYS A 45 12.220 7.662 3.634 1.00 0.00 H new ATOM 0 HA LYS A 45 11.134 9.637 5.384 1.00 0.00 H new ATOM 0 HB2 LYS A 45 12.169 9.539 2.531 1.00 0.00 H new ATOM 0 HB3 LYS A 45 11.504 11.012 3.207 1.00 0.00 H new ATOM 0 HG2 LYS A 45 13.962 10.979 3.353 1.00 0.00 H new ATOM 0 HG3 LYS A 45 13.221 11.075 4.938 1.00 0.00 H new ATOM 0 HD2 LYS A 45 13.785 8.790 5.452 1.00 0.00 H new ATOM 0 HD3 LYS A 45 14.210 8.441 3.788 1.00 0.00 H new ATOM 0 HE2 LYS A 45 15.703 10.658 5.175 1.00 0.00 H new ATOM 0 HE3 LYS A 45 16.069 9.011 5.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 17.511 9.755 3.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 16.535 8.478 3.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 16.181 10.073 2.881 1.00 0.00 H new ATOM 709 N ARG A 46 9.038 8.364 3.292 1.00 0.00 N ATOM 710 CA ARG A 46 7.616 8.295 2.990 1.00 0.00 C ATOM 711 C ARG A 46 6.857 7.552 4.095 1.00 0.00 C ATOM 712 O ARG A 46 5.900 8.105 4.635 1.00 0.00 O ATOM 713 CB ARG A 46 7.440 7.673 1.592 1.00 0.00 C ATOM 714 CG ARG A 46 7.314 8.703 0.448 1.00 0.00 C ATOM 715 CD ARG A 46 5.938 9.397 0.426 1.00 0.00 C ATOM 716 NE ARG A 46 5.700 10.175 -0.808 1.00 0.00 N ATOM 717 CZ ARG A 46 4.920 9.842 -1.851 1.00 0.00 C ATOM 718 NH1 ARG A 46 4.374 8.637 -1.953 1.00 0.00 N ATOM 719 NH2 ARG A 46 4.688 10.745 -2.795 1.00 0.00 N ATOM 0 H ARG A 46 9.564 7.562 2.944 1.00 0.00 H new ATOM 0 HA ARG A 46 7.180 9.294 2.965 1.00 0.00 H new ATOM 0 HB2 ARG A 46 8.290 7.023 1.387 1.00 0.00 H new ATOM 0 HB3 ARG A 46 6.551 7.043 1.597 1.00 0.00 H new ATOM 0 HG2 ARG A 46 8.095 9.456 0.554 1.00 0.00 H new ATOM 0 HG3 ARG A 46 7.480 8.203 -0.506 1.00 0.00 H new ATOM 0 HD2 ARG A 46 5.157 8.644 0.530 1.00 0.00 H new ATOM 0 HD3 ARG A 46 5.859 10.060 1.287 1.00 0.00 H new ATOM 0 HE ARG A 46 6.185 11.070 -0.876 1.00 0.00 H new ATOM 0 HH11 ARG A 46 4.542 7.938 -1.230 1.00 0.00 H new ATOM 0 HH12 ARG A 46 3.786 8.410 -2.755 1.00 0.00 H new ATOM 0 HH21 ARG A 46 5.099 11.676 -2.723 1.00 0.00 H new ATOM 0 HH22 ARG A 46 4.098 10.509 -3.593 1.00 0.00 H new ATOM 733 N SER A 47 7.221 6.308 4.436 1.00 0.00 N ATOM 734 CA SER A 47 6.381 5.483 5.311 1.00 0.00 C ATOM 735 C SER A 47 6.704 5.633 6.799 1.00 0.00 C ATOM 736 O SER A 47 5.865 5.297 7.633 1.00 0.00 O ATOM 737 CB SER A 47 6.450 3.996 4.933 1.00 0.00 C ATOM 738 OG SER A 47 7.675 3.379 5.283 1.00 0.00 O ATOM 0 H SER A 47 8.081 5.857 4.123 1.00 0.00 H new ATOM 0 HA SER A 47 5.370 5.858 5.152 1.00 0.00 H new ATOM 0 HB2 SER A 47 5.633 3.467 5.423 1.00 0.00 H new ATOM 0 HB3 SER A 47 6.296 3.895 3.859 1.00 0.00 H new ATOM 0 HG SER A 47 8.417 3.983 5.073 1.00 0.00 H new ATOM 744 N GLY A 48 7.905 6.083 7.161 1.00 0.00 N ATOM 745 CA GLY A 48 8.391 6.039 8.534 1.00 0.00 C ATOM 746 C GLY A 48 8.516 4.603 9.059 1.00 0.00 C ATOM 747 O GLY A 48 8.434 4.402 10.271 1.00 0.00 O ATOM 0 H GLY A 48 8.570 6.490 6.504 1.00 0.00 H new ATOM 0 HA2 GLY A 48 9.362 6.530 8.590 1.00 0.00 H new ATOM 0 HA3 GLY A 48 7.713 6.601 9.176 1.00 0.00 H new ATOM 751 N ARG A 49 8.632 3.593 8.181 1.00 0.00 N ATOM 752 CA ARG A 49 8.609 2.183 8.548 1.00 0.00 C ATOM 753 C ARG A 49 9.685 1.370 7.833 1.00 0.00 C ATOM 754 O ARG A 49 10.428 0.669 8.513 1.00 0.00 O ATOM 755 CB ARG A 49 7.213 1.602 8.284 1.00 0.00 C ATOM 756 CG ARG A 49 6.184 1.995 9.352 1.00 0.00 C ATOM 757 CD ARG A 49 4.948 1.081 9.327 1.00 0.00 C ATOM 758 NE ARG A 49 4.334 1.040 10.660 1.00 0.00 N ATOM 759 CZ ARG A 49 4.615 0.163 11.631 1.00 0.00 C ATOM 760 NH1 ARG A 49 5.130 -1.031 11.357 1.00 0.00 N ATOM 761 NH2 ARG A 49 4.397 0.505 12.890 1.00 0.00 N ATOM 0 H ARG A 49 8.746 3.746 7.179 1.00 0.00 H new ATOM 0 HA ARG A 49 8.834 2.116 9.612 1.00 0.00 H new ATOM 0 HB2 ARG A 49 6.863 1.942 7.309 1.00 0.00 H new ATOM 0 HB3 ARG A 49 7.282 0.515 8.237 1.00 0.00 H new ATOM 0 HG2 ARG A 49 6.649 1.949 10.337 1.00 0.00 H new ATOM 0 HG3 ARG A 49 5.874 3.028 9.194 1.00 0.00 H new ATOM 0 HD2 ARG A 49 4.228 1.448 8.596 1.00 0.00 H new ATOM 0 HD3 ARG A 49 5.234 0.076 9.017 1.00 0.00 H new ATOM 0 HE ARG A 49 3.627 1.746 10.865 1.00 0.00 H new ATOM 0 HH11 ARG A 49 5.319 -1.295 10.390 1.00 0.00 H new ATOM 0 HH12 ARG A 49 5.336 -1.683 12.114 1.00 0.00 H new ATOM 0 HH21 ARG A 49 4.020 1.427 13.110 1.00 0.00 H new ATOM 0 HH22 ARG A 49 4.606 -0.153 13.641 1.00 0.00 H new ATOM 775 N THR A 50 9.701 1.363 6.495 1.00 0.00 N ATOM 776 CA THR A 50 10.531 0.517 5.627 1.00 0.00 C ATOM 777 C THR A 50 10.167 -0.973 5.680 1.00 0.00 C ATOM 778 O THR A 50 10.732 -1.787 4.948 1.00 0.00 O ATOM 779 CB THR A 50 12.052 0.789 5.731 1.00 0.00 C ATOM 780 OG1 THR A 50 12.409 1.750 6.700 1.00 0.00 O ATOM 781 CG2 THR A 50 12.626 1.248 4.389 1.00 0.00 C ATOM 0 H THR A 50 9.099 1.985 5.956 1.00 0.00 H new ATOM 0 HA THR A 50 10.269 0.836 4.618 1.00 0.00 H new ATOM 0 HB THR A 50 12.473 -0.169 6.037 1.00 0.00 H new ATOM 0 HG1 THR A 50 13.354 1.642 6.935 1.00 0.00 H new ATOM 0 HG21 THR A 50 13.695 1.431 4.494 1.00 0.00 H new ATOM 0 HG22 THR A 50 12.462 0.474 3.639 1.00 0.00 H new ATOM 0 HG23 THR A 50 12.130 2.167 4.076 1.00 0.00 H new ATOM 789 N THR A 51 9.171 -1.319 6.486 1.00 0.00 N ATOM 790 CA THR A 51 8.508 -2.614 6.529 1.00 0.00 C ATOM 791 C THR A 51 7.560 -2.684 5.336 1.00 0.00 C ATOM 792 O THR A 51 7.413 -1.702 4.600 1.00 0.00 O ATOM 793 CB THR A 51 7.817 -2.765 7.896 1.00 0.00 C ATOM 794 OG1 THR A 51 6.708 -1.907 8.003 1.00 0.00 O ATOM 795 CG2 THR A 51 8.747 -2.372 9.047 1.00 0.00 C ATOM 0 H THR A 51 8.783 -0.665 7.166 1.00 0.00 H new ATOM 0 HA THR A 51 9.199 -3.452 6.443 1.00 0.00 H new ATOM 0 HB THR A 51 7.526 -3.813 7.962 1.00 0.00 H new ATOM 0 HG1 THR A 51 6.195 -2.134 8.806 1.00 0.00 H new ATOM 0 HG21 THR A 51 8.223 -2.492 9.995 1.00 0.00 H new ATOM 0 HG22 THR A 51 9.629 -3.012 9.036 1.00 0.00 H new ATOM 0 HG23 THR A 51 9.051 -1.332 8.930 1.00 0.00 H new ATOM 803 N VAL A 52 6.902 -3.817 5.135 1.00 0.00 N ATOM 804 CA VAL A 52 5.883 -3.940 4.089 1.00 0.00 C ATOM 805 C VAL A 52 4.583 -4.555 4.629 1.00 0.00 C ATOM 806 O VAL A 52 4.617 -5.246 5.651 1.00 0.00 O ATOM 807 CB VAL A 52 6.424 -4.767 2.908 1.00 0.00 C ATOM 808 CG1 VAL A 52 7.242 -3.868 1.970 1.00 0.00 C ATOM 809 CG2 VAL A 52 7.171 -6.031 3.365 1.00 0.00 C ATOM 0 H VAL A 52 7.052 -4.667 5.679 1.00 0.00 H new ATOM 0 HA VAL A 52 5.647 -2.935 3.738 1.00 0.00 H new ATOM 0 HB VAL A 52 5.579 -5.148 2.334 1.00 0.00 H new ATOM 0 HG11 VAL A 52 7.621 -4.460 1.137 1.00 0.00 H new ATOM 0 HG12 VAL A 52 6.608 -3.069 1.587 1.00 0.00 H new ATOM 0 HG13 VAL A 52 8.079 -3.436 2.519 1.00 0.00 H new ATOM 0 HG21 VAL A 52 7.531 -6.576 2.493 1.00 0.00 H new ATOM 0 HG22 VAL A 52 8.017 -5.747 3.990 1.00 0.00 H new ATOM 0 HG23 VAL A 52 6.495 -6.667 3.937 1.00 0.00 H new ATOM 819 N PRO A 53 3.444 -4.345 3.942 1.00 0.00 N ATOM 820 CA PRO A 53 3.261 -3.399 2.844 1.00 0.00 C ATOM 821 C PRO A 53 3.234 -1.972 3.395 1.00 0.00 C ATOM 822 O PRO A 53 3.082 -1.772 4.599 1.00 0.00 O ATOM 823 CB PRO A 53 1.903 -3.755 2.234 1.00 0.00 C ATOM 824 CG PRO A 53 1.115 -4.233 3.450 1.00 0.00 C ATOM 825 CD PRO A 53 2.181 -4.987 4.245 1.00 0.00 C ATOM 0 HA PRO A 53 4.064 -3.453 2.109 1.00 0.00 H new ATOM 0 HB2 PRO A 53 1.433 -2.895 1.758 1.00 0.00 H new ATOM 0 HB3 PRO A 53 1.990 -4.532 1.474 1.00 0.00 H new ATOM 0 HG2 PRO A 53 0.696 -3.402 4.017 1.00 0.00 H new ATOM 0 HG3 PRO A 53 0.283 -4.879 3.169 1.00 0.00 H new ATOM 0 HD2 PRO A 53 1.971 -4.946 5.314 1.00 0.00 H new ATOM 0 HD3 PRO A 53 2.203 -6.040 3.965 1.00 0.00 H new ATOM 833 N GLN A 54 3.333 -0.980 2.514 1.00 0.00 N ATOM 834 CA GLN A 54 3.087 0.414 2.858 1.00 0.00 C ATOM 835 C GLN A 54 2.106 0.927 1.832 1.00 0.00 C ATOM 836 O GLN A 54 2.457 0.982 0.655 1.00 0.00 O ATOM 837 CB GLN A 54 4.368 1.260 2.859 1.00 0.00 C ATOM 838 CG GLN A 54 5.428 0.770 3.839 1.00 0.00 C ATOM 839 CD GLN A 54 4.936 0.708 5.279 1.00 0.00 C ATOM 840 OE1 GLN A 54 4.105 1.499 5.721 1.00 0.00 O ATOM 841 NE2 GLN A 54 5.479 -0.214 6.036 1.00 0.00 N ATOM 0 H GLN A 54 3.588 -1.123 1.537 1.00 0.00 H new ATOM 0 HA GLN A 54 2.695 0.487 3.873 1.00 0.00 H new ATOM 0 HB2 GLN A 54 4.790 1.265 1.854 1.00 0.00 H new ATOM 0 HB3 GLN A 54 4.111 2.291 3.102 1.00 0.00 H new ATOM 0 HG2 GLN A 54 5.764 -0.221 3.534 1.00 0.00 H new ATOM 0 HG3 GLN A 54 6.294 1.430 3.787 1.00 0.00 H new ATOM 0 HE21 GLN A 54 6.166 -0.857 5.643 1.00 0.00 H new ATOM 0 HE22 GLN A 54 5.214 -0.288 7.018 1.00 0.00 H new ATOM 850 N ILE A 55 0.883 1.227 2.257 1.00 0.00 N ATOM 851 CA ILE A 55 -0.154 1.755 1.391 1.00 0.00 C ATOM 852 C ILE A 55 -0.174 3.257 1.633 1.00 0.00 C ATOM 853 O ILE A 55 -0.034 3.745 2.761 1.00 0.00 O ATOM 854 CB ILE A 55 -1.549 1.160 1.666 1.00 0.00 C ATOM 855 CG1 ILE A 55 -1.677 -0.379 1.762 1.00 0.00 C ATOM 856 CG2 ILE A 55 -2.548 1.576 0.567 1.00 0.00 C ATOM 857 CD1 ILE A 55 -0.798 -1.127 2.759 1.00 0.00 C ATOM 0 H ILE A 55 0.585 1.107 3.225 1.00 0.00 H new ATOM 0 HA ILE A 55 0.071 1.493 0.357 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.758 1.565 2.656 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -2.716 -0.610 1.999 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -1.477 -0.790 0.772 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -3.526 1.145 0.782 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.629 2.663 0.541 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -2.197 1.215 -0.400 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -1.010 -2.195 2.701 1.00 0.00 H new ATOM 0 HD12 ILE A 55 0.251 -0.952 2.522 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -1.006 -0.770 3.767 1.00 0.00 H new ATOM 869 N PHE A 56 -0.407 3.974 0.555 1.00 0.00 N ATOM 870 CA PHE A 56 -0.518 5.393 0.433 1.00 0.00 C ATOM 871 C PHE A 56 -1.744 5.633 -0.440 1.00 0.00 C ATOM 872 O PHE A 56 -1.966 4.865 -1.376 1.00 0.00 O ATOM 873 CB PHE A 56 0.726 5.880 -0.290 1.00 0.00 C ATOM 874 CG PHE A 56 2.033 5.680 0.450 1.00 0.00 C ATOM 875 CD1 PHE A 56 2.694 4.437 0.395 1.00 0.00 C ATOM 876 CD2 PHE A 56 2.607 6.736 1.177 1.00 0.00 C ATOM 877 CE1 PHE A 56 3.893 4.242 1.100 1.00 0.00 C ATOM 878 CE2 PHE A 56 3.807 6.534 1.878 1.00 0.00 C ATOM 879 CZ PHE A 56 4.434 5.280 1.873 1.00 0.00 C ATOM 0 H PHE A 56 -0.535 3.518 -0.348 1.00 0.00 H new ATOM 0 HA PHE A 56 -0.610 5.905 1.391 1.00 0.00 H new ATOM 0 HB2 PHE A 56 0.791 5.368 -1.250 1.00 0.00 H new ATOM 0 HB3 PHE A 56 0.608 6.943 -0.503 1.00 0.00 H new ATOM 0 HD1 PHE A 56 2.277 3.631 -0.191 1.00 0.00 H new ATOM 0 HD2 PHE A 56 2.126 7.703 1.197 1.00 0.00 H new ATOM 0 HE1 PHE A 56 4.400 3.290 1.047 1.00 0.00 H new ATOM 0 HE2 PHE A 56 4.251 7.352 2.426 1.00 0.00 H new ATOM 0 HZ PHE A 56 5.326 5.115 2.459 1.00 0.00 H new ATOM 889 N ILE A 57 -2.535 6.661 -0.158 1.00 0.00 N ATOM 890 CA ILE A 57 -3.761 6.978 -0.881 1.00 0.00 C ATOM 891 C ILE A 57 -3.717 8.497 -1.019 1.00 0.00 C ATOM 892 O ILE A 57 -3.582 9.189 -0.008 1.00 0.00 O ATOM 893 CB ILE A 57 -4.962 6.415 -0.083 1.00 0.00 C ATOM 894 CG1 ILE A 57 -4.892 4.867 -0.007 1.00 0.00 C ATOM 895 CG2 ILE A 57 -6.308 6.846 -0.673 1.00 0.00 C ATOM 896 CD1 ILE A 57 -6.066 4.183 0.696 1.00 0.00 C ATOM 0 H ILE A 57 -2.337 7.314 0.600 1.00 0.00 H new ATOM 0 HA ILE A 57 -3.862 6.533 -1.871 1.00 0.00 H new ATOM 0 HB ILE A 57 -4.894 6.831 0.922 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -4.822 4.475 -1.022 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -3.972 4.588 0.507 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -7.118 6.425 -0.077 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -6.378 7.934 -0.663 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -6.387 6.486 -1.699 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -5.914 3.104 0.692 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -6.130 4.536 1.725 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -6.992 4.421 0.173 1.00 0.00 H new ATOM 908 N ASP A 58 -3.696 9.032 -2.244 1.00 0.00 N ATOM 909 CA ASP A 58 -3.415 10.441 -2.502 1.00 0.00 C ATOM 910 C ASP A 58 -2.109 10.878 -1.837 1.00 0.00 C ATOM 911 O ASP A 58 -1.984 11.987 -1.308 1.00 0.00 O ATOM 912 CB ASP A 58 -4.604 11.387 -2.257 1.00 0.00 C ATOM 913 CG ASP A 58 -5.945 10.955 -2.854 1.00 0.00 C ATOM 914 OD1 ASP A 58 -6.514 9.913 -2.476 1.00 0.00 O ATOM 915 OD2 ASP A 58 -6.420 11.693 -3.754 1.00 0.00 O ATOM 0 H ASP A 58 -3.876 8.491 -3.090 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.260 10.531 -3.577 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.731 11.507 -1.181 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -4.350 12.368 -2.659 1.00 0.00 H new ATOM 920 N ALA A 59 -1.127 9.969 -1.852 1.00 0.00 N ATOM 921 CA ALA A 59 0.202 10.080 -1.258 1.00 0.00 C ATOM 922 C ALA A 59 0.203 10.225 0.272 1.00 0.00 C ATOM 923 O ALA A 59 1.275 10.336 0.869 1.00 0.00 O ATOM 924 CB ALA A 59 0.979 11.206 -1.942 1.00 0.00 C ATOM 0 H ALA A 59 -1.255 9.070 -2.316 1.00 0.00 H new ATOM 0 HA ALA A 59 0.707 9.131 -1.436 1.00 0.00 H new ATOM 0 HB1 ALA A 59 1.971 11.287 -1.497 1.00 0.00 H new ATOM 0 HB2 ALA A 59 1.076 10.988 -3.006 1.00 0.00 H new ATOM 0 HB3 ALA A 59 0.445 12.147 -1.812 1.00 0.00 H new ATOM 930 N GLN A 60 -0.957 10.181 0.925 1.00 0.00 N ATOM 931 CA GLN A 60 -1.070 10.193 2.378 1.00 0.00 C ATOM 932 C GLN A 60 -0.631 8.807 2.834 1.00 0.00 C ATOM 933 O GLN A 60 -1.224 7.822 2.390 1.00 0.00 O ATOM 934 CB GLN A 60 -2.530 10.446 2.799 1.00 0.00 C ATOM 935 CG GLN A 60 -3.113 11.769 2.277 1.00 0.00 C ATOM 936 CD GLN A 60 -4.632 11.766 2.334 1.00 0.00 C ATOM 937 OE1 GLN A 60 -5.248 12.467 3.133 1.00 0.00 O ATOM 938 NE2 GLN A 60 -5.246 10.977 1.472 1.00 0.00 N ATOM 0 H GLN A 60 -1.858 10.135 0.449 1.00 0.00 H new ATOM 0 HA GLN A 60 -0.461 10.981 2.822 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -3.148 9.623 2.441 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -2.589 10.439 3.887 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -2.727 12.598 2.870 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -2.786 11.932 1.250 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -4.701 10.409 0.823 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -6.265 10.936 1.455 1.00 0.00 H new ATOM 947 N HIS A 61 0.425 8.684 3.645 1.00 0.00 N ATOM 948 CA HIS A 61 0.832 7.371 4.131 1.00 0.00 C ATOM 949 C HIS A 61 -0.218 6.856 5.102 1.00 0.00 C ATOM 950 O HIS A 61 -0.301 7.338 6.235 1.00 0.00 O ATOM 951 CB HIS A 61 2.197 7.384 4.823 1.00 0.00 C ATOM 952 CG HIS A 61 2.533 6.018 5.376 1.00 0.00 C ATOM 953 ND1 HIS A 61 2.967 5.754 6.661 1.00 0.00 N ATOM 954 CD2 HIS A 61 2.332 4.819 4.740 1.00 0.00 C ATOM 955 CE1 HIS A 61 3.085 4.420 6.779 1.00 0.00 C ATOM 956 NE2 HIS A 61 2.709 3.832 5.630 1.00 0.00 N ATOM 0 H HIS A 61 0.999 9.462 3.970 1.00 0.00 H new ATOM 0 HA HIS A 61 0.921 6.718 3.263 1.00 0.00 H new ATOM 0 HB2 HIS A 61 2.966 7.693 4.115 1.00 0.00 H new ATOM 0 HB3 HIS A 61 2.193 8.117 5.630 1.00 0.00 H new ATOM 0 HD2 HIS A 61 1.953 4.675 3.739 1.00 0.00 H new ATOM 0 HE1 HIS A 61 3.429 3.901 7.661 1.00 0.00 H new ATOM 0 HE2 HIS A 61 2.703 2.829 5.447 1.00 0.00 H new ATOM 965 N ILE A 62 -0.986 5.867 4.674 1.00 0.00 N ATOM 966 CA ILE A 62 -2.033 5.263 5.465 1.00 0.00 C ATOM 967 C ILE A 62 -1.375 4.388 6.528 1.00 0.00 C ATOM 968 O ILE A 62 -1.466 4.701 7.714 1.00 0.00 O ATOM 969 CB ILE A 62 -2.976 4.528 4.491 1.00 0.00 C ATOM 970 CG1 ILE A 62 -3.488 5.476 3.384 1.00 0.00 C ATOM 971 CG2 ILE A 62 -4.146 3.866 5.217 1.00 0.00 C ATOM 972 CD1 ILE A 62 -4.063 6.814 3.873 1.00 0.00 C ATOM 0 H ILE A 62 -0.892 5.456 3.745 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.649 5.978 6.011 1.00 0.00 H new ATOM 0 HB ILE A 62 -2.391 3.737 4.021 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -2.666 5.683 2.698 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -4.257 4.957 2.813 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -4.784 3.360 4.493 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -3.765 3.139 5.935 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -4.725 4.626 5.743 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -4.393 7.403 3.017 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -4.910 6.627 4.533 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -3.294 7.363 4.417 1.00 0.00 H new ATOM 984 N GLY A 63 -0.663 3.340 6.115 1.00 0.00 N ATOM 985 CA GLY A 63 -0.081 2.376 7.029 1.00 0.00 C ATOM 986 C GLY A 63 0.158 1.071 6.290 1.00 0.00 C ATOM 987 O GLY A 63 0.626 1.103 5.148 1.00 0.00 O ATOM 0 H GLY A 63 -0.477 3.141 5.132 1.00 0.00 H new ATOM 0 HA2 GLY A 63 0.858 2.758 7.431 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -0.747 2.212 7.876 1.00 0.00 H new ATOM 991 N GLY A 64 -0.149 -0.045 6.947 1.00 0.00 N ATOM 992 CA GLY A 64 -0.029 -1.408 6.447 1.00 0.00 C ATOM 993 C GLY A 64 -1.377 -1.933 5.946 1.00 0.00 C ATOM 994 O GLY A 64 -2.305 -1.158 5.699 1.00 0.00 O ATOM 0 H GLY A 64 -0.510 -0.018 7.901 1.00 0.00 H new ATOM 0 HA2 GLY A 64 0.700 -1.439 5.637 1.00 0.00 H new ATOM 0 HA3 GLY A 64 0.346 -2.057 7.238 1.00 0.00 H new ATOM 998 N TYR A 65 -1.486 -3.253 5.748 1.00 0.00 N ATOM 999 CA TYR A 65 -2.736 -3.869 5.307 1.00 0.00 C ATOM 1000 C TYR A 65 -3.858 -3.554 6.281 1.00 0.00 C ATOM 1001 O TYR A 65 -4.938 -3.189 5.838 1.00 0.00 O ATOM 1002 CB TYR A 65 -2.622 -5.393 5.104 1.00 0.00 C ATOM 1003 CG TYR A 65 -3.933 -6.152 5.227 1.00 0.00 C ATOM 1004 CD1 TYR A 65 -4.972 -5.851 4.336 1.00 0.00 C ATOM 1005 CD2 TYR A 65 -4.138 -7.129 6.226 1.00 0.00 C ATOM 1006 CE1 TYR A 65 -6.157 -6.589 4.351 1.00 0.00 C ATOM 1007 CE2 TYR A 65 -5.354 -7.841 6.283 1.00 0.00 C ATOM 1008 CZ TYR A 65 -6.361 -7.589 5.321 1.00 0.00 C ATOM 1009 OH TYR A 65 -7.487 -8.340 5.241 1.00 0.00 O ATOM 0 H TYR A 65 -0.720 -3.912 5.887 1.00 0.00 H new ATOM 0 HA TYR A 65 -2.965 -3.437 4.333 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -2.199 -5.583 4.117 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -1.918 -5.791 5.835 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -4.855 -5.041 3.631 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -3.361 -7.331 6.948 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -6.922 -6.392 3.614 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -5.516 -8.576 7.058 1.00 0.00 H new ATOM 0 HH TYR A 65 -8.273 -7.756 5.281 1.00 0.00 H new ATOM 1019 N ASP A 66 -3.606 -3.695 7.577 1.00 0.00 N ATOM 1020 CA ASP A 66 -4.621 -3.564 8.618 1.00 0.00 C ATOM 1021 C ASP A 66 -5.215 -2.149 8.583 1.00 0.00 C ATOM 1022 O ASP A 66 -6.409 -1.964 8.787 1.00 0.00 O ATOM 1023 CB ASP A 66 -3.949 -3.893 9.956 1.00 0.00 C ATOM 1024 CG ASP A 66 -4.743 -3.513 11.201 1.00 0.00 C ATOM 1025 OD1 ASP A 66 -5.960 -3.788 11.256 1.00 0.00 O ATOM 1026 OD2 ASP A 66 -4.110 -3.155 12.222 1.00 0.00 O ATOM 0 H ASP A 66 -2.677 -3.907 7.941 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.453 -4.252 8.466 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -3.748 -4.964 9.988 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -2.985 -3.386 9.993 1.00 0.00 H new ATOM 1031 N ASP A 67 -4.402 -1.159 8.211 1.00 0.00 N ATOM 1032 CA ASP A 67 -4.789 0.248 8.111 1.00 0.00 C ATOM 1033 C ASP A 67 -5.682 0.511 6.896 1.00 0.00 C ATOM 1034 O ASP A 67 -6.684 1.225 6.994 1.00 0.00 O ATOM 1035 CB ASP A 67 -3.542 1.121 7.993 1.00 0.00 C ATOM 1036 CG ASP A 67 -2.707 1.099 9.261 1.00 0.00 C ATOM 1037 OD1 ASP A 67 -3.063 1.801 10.231 1.00 0.00 O ATOM 1038 OD2 ASP A 67 -1.688 0.375 9.266 1.00 0.00 O ATOM 0 H ASP A 67 -3.426 -1.320 7.963 1.00 0.00 H new ATOM 0 HA ASP A 67 -5.349 0.493 9.013 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -2.937 0.776 7.155 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -3.838 2.147 7.772 1.00 0.00 H new ATOM 1043 N LEU A 68 -5.317 -0.042 5.735 1.00 0.00 N ATOM 1044 CA LEU A 68 -6.176 -0.074 4.543 1.00 0.00 C ATOM 1045 C LEU A 68 -7.477 -0.770 4.899 1.00 0.00 C ATOM 1046 O LEU A 68 -8.550 -0.229 4.665 1.00 0.00 O ATOM 1047 CB LEU A 68 -5.477 -0.799 3.379 1.00 0.00 C ATOM 1048 CG LEU A 68 -6.187 -0.788 1.998 1.00 0.00 C ATOM 1049 CD1 LEU A 68 -5.402 -1.716 1.072 1.00 0.00 C ATOM 1050 CD2 LEU A 68 -7.629 -1.310 1.923 1.00 0.00 C ATOM 0 H LEU A 68 -4.409 -0.485 5.593 1.00 0.00 H new ATOM 0 HA LEU A 68 -6.380 0.946 4.218 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.489 -0.357 3.253 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.327 -1.838 3.672 1.00 0.00 H new ATOM 0 HG LEU A 68 -6.222 0.270 1.738 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -5.873 -1.733 0.089 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.378 -1.354 0.977 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -5.394 -2.723 1.488 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -7.989 -1.239 0.896 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -7.657 -2.351 2.246 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -8.267 -0.711 2.573 1.00 0.00 H new ATOM 1062 N TYR A 69 -7.394 -1.974 5.444 1.00 0.00 N ATOM 1063 CA TYR A 69 -8.541 -2.804 5.709 1.00 0.00 C ATOM 1064 C TYR A 69 -9.487 -2.050 6.654 1.00 0.00 C ATOM 1065 O TYR A 69 -10.694 -2.032 6.432 1.00 0.00 O ATOM 1066 CB TYR A 69 -8.028 -4.115 6.293 1.00 0.00 C ATOM 1067 CG TYR A 69 -9.130 -5.119 6.452 1.00 0.00 C ATOM 1068 CD1 TYR A 69 -9.895 -5.182 7.619 1.00 0.00 C ATOM 1069 CD2 TYR A 69 -9.433 -5.948 5.364 1.00 0.00 C ATOM 1070 CE1 TYR A 69 -10.975 -6.071 7.672 1.00 0.00 C ATOM 1071 CE2 TYR A 69 -10.500 -6.850 5.409 1.00 0.00 C ATOM 1072 CZ TYR A 69 -11.302 -6.896 6.572 1.00 0.00 C ATOM 1073 OH TYR A 69 -12.382 -7.721 6.669 1.00 0.00 O ATOM 0 H TYR A 69 -6.509 -2.402 5.716 1.00 0.00 H new ATOM 0 HA TYR A 69 -9.112 -3.033 4.809 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -7.254 -4.524 5.644 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -7.565 -3.926 7.262 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -9.657 -4.556 8.466 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -8.829 -5.889 4.471 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -11.570 -6.128 8.571 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -10.708 -7.499 4.571 1.00 0.00 H new ATOM 0 HH TYR A 69 -12.484 -8.226 5.835 1.00 0.00 H new ATOM 1083 N ALA A 70 -8.943 -1.331 7.641 1.00 0.00 N ATOM 1084 CA ALA A 70 -9.694 -0.430 8.494 1.00 0.00 C ATOM 1085 C ALA A 70 -10.388 0.686 7.704 1.00 0.00 C ATOM 1086 O ALA A 70 -11.535 1.007 8.017 1.00 0.00 O ATOM 1087 CB ALA A 70 -8.768 0.167 9.559 1.00 0.00 C ATOM 0 H ALA A 70 -7.949 -1.366 7.866 1.00 0.00 H new ATOM 0 HA ALA A 70 -10.480 -1.013 8.974 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -9.336 0.843 10.198 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -8.346 -0.635 10.165 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -7.962 0.718 9.073 1.00 0.00 H new ATOM 1093 N LEU A 71 -9.707 1.360 6.766 1.00 0.00 N ATOM 1094 CA LEU A 71 -10.294 2.368 5.886 1.00 0.00 C ATOM 1095 C LEU A 71 -11.468 1.788 5.099 1.00 0.00 C ATOM 1096 O LEU A 71 -12.519 2.414 4.974 1.00 0.00 O ATOM 1097 CB LEU A 71 -9.214 2.909 4.943 1.00 0.00 C ATOM 1098 CG LEU A 71 -9.737 3.922 3.914 1.00 0.00 C ATOM 1099 CD1 LEU A 71 -10.248 5.194 4.590 1.00 0.00 C ATOM 1100 CD2 LEU A 71 -8.613 4.276 2.945 1.00 0.00 C ATOM 0 H LEU A 71 -8.712 1.213 6.598 1.00 0.00 H new ATOM 0 HA LEU A 71 -10.681 3.188 6.491 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -8.430 3.380 5.536 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -8.755 2.073 4.415 1.00 0.00 H new ATOM 0 HG LEU A 71 -10.571 3.468 3.378 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -10.610 5.888 3.832 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -11.062 4.943 5.271 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -9.437 5.659 5.150 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -8.978 4.995 2.212 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -7.780 4.712 3.497 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -8.277 3.374 2.433 1.00 0.00 H new ATOM 1112 N ASP A 72 -11.267 0.602 4.526 1.00 0.00 N ATOM 1113 CA ASP A 72 -12.258 -0.114 3.738 1.00 0.00 C ATOM 1114 C ASP A 72 -13.452 -0.506 4.595 1.00 0.00 C ATOM 1115 O ASP A 72 -14.591 -0.331 4.169 1.00 0.00 O ATOM 1116 CB ASP A 72 -11.631 -1.338 3.068 1.00 0.00 C ATOM 1117 CG ASP A 72 -12.692 -2.145 2.320 1.00 0.00 C ATOM 1118 OD1 ASP A 72 -13.199 -1.666 1.284 1.00 0.00 O ATOM 1119 OD2 ASP A 72 -13.030 -3.264 2.766 1.00 0.00 O ATOM 0 H ASP A 72 -10.382 0.101 4.602 1.00 0.00 H new ATOM 0 HA ASP A 72 -12.618 0.551 2.953 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -10.852 -1.021 2.375 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -11.152 -1.965 3.820 1.00 0.00 H new ATOM 1124 N ALA A 73 -13.209 -0.913 5.840 1.00 0.00 N ATOM 1125 CA ALA A 73 -14.252 -1.173 6.831 1.00 0.00 C ATOM 1126 C ALA A 73 -14.958 0.121 7.264 1.00 0.00 C ATOM 1127 O ALA A 73 -16.056 0.090 7.829 1.00 0.00 O ATOM 1128 CB ALA A 73 -13.654 -1.897 8.042 1.00 0.00 C ATOM 0 H ALA A 73 -12.266 -1.074 6.194 1.00 0.00 H new ATOM 0 HA ALA A 73 -15.005 -1.813 6.370 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -14.437 -2.087 8.776 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -13.219 -2.844 7.722 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -12.879 -1.276 8.491 1.00 0.00 H new ATOM 1134 N ARG A 74 -14.353 1.278 6.989 1.00 0.00 N ATOM 1135 CA ARG A 74 -14.962 2.593 7.137 1.00 0.00 C ATOM 1136 C ARG A 74 -15.673 3.043 5.863 1.00 0.00 C ATOM 1137 O ARG A 74 -16.176 4.169 5.836 1.00 0.00 O ATOM 1138 CB ARG A 74 -13.889 3.620 7.550 1.00 0.00 C ATOM 1139 CG ARG A 74 -14.399 4.443 8.733 1.00 0.00 C ATOM 1140 CD ARG A 74 -14.206 3.658 10.038 1.00 0.00 C ATOM 1141 NE ARG A 74 -15.083 4.139 11.108 1.00 0.00 N ATOM 1142 CZ ARG A 74 -14.959 5.307 11.741 1.00 0.00 C ATOM 1143 NH1 ARG A 74 -13.993 6.157 11.412 1.00 0.00 N ATOM 1144 NH2 ARG A 74 -15.804 5.606 12.713 1.00 0.00 N ATOM 0 H ARG A 74 -13.393 1.322 6.646 1.00 0.00 H new ATOM 0 HA ARG A 74 -15.720 2.525 7.918 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -12.966 3.108 7.821 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -13.656 4.276 6.711 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -13.863 5.391 8.786 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -15.454 4.681 8.594 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -14.403 2.601 9.857 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -13.167 3.739 10.358 1.00 0.00 H new ATOM 0 HE ARG A 74 -15.851 3.531 11.392 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -13.336 5.920 10.668 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -13.908 7.047 11.903 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -16.539 4.947 12.970 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -15.721 6.495 13.205 1.00 0.00 H new ATOM 1158 N GLY A 75 -15.659 2.245 4.793 1.00 0.00 N ATOM 1159 CA GLY A 75 -16.179 2.628 3.488 1.00 0.00 C ATOM 1160 C GLY A 75 -15.396 3.776 2.846 1.00 0.00 C ATOM 1161 O GLY A 75 -15.772 4.235 1.769 1.00 0.00 O ATOM 0 H GLY A 75 -15.278 1.299 4.814 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -16.154 1.763 2.825 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -17.224 2.921 3.591 1.00 0.00 H new ATOM 1165 N GLY A 76 -14.307 4.249 3.460 1.00 0.00 N ATOM 1166 CA GLY A 76 -13.596 5.445 3.024 1.00 0.00 C ATOM 1167 C GLY A 76 -12.603 5.151 1.904 1.00 0.00 C ATOM 1168 O GLY A 76 -11.957 6.073 1.409 1.00 0.00 O ATOM 0 H GLY A 76 -13.894 3.805 4.280 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -14.316 6.189 2.683 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -13.066 5.880 3.872 1.00 0.00 H new ATOM 1172 N LEU A 77 -12.456 3.876 1.533 1.00 0.00 N ATOM 1173 CA LEU A 77 -11.557 3.410 0.492 1.00 0.00 C ATOM 1174 C LEU A 77 -12.123 3.767 -0.879 1.00 0.00 C ATOM 1175 O LEU A 77 -11.421 4.343 -1.704 1.00 0.00 O ATOM 1176 CB LEU A 77 -11.391 1.883 0.642 1.00 0.00 C ATOM 1177 CG LEU A 77 -10.398 1.291 -0.373 1.00 0.00 C ATOM 1178 CD1 LEU A 77 -8.958 1.621 0.046 1.00 0.00 C ATOM 1179 CD2 LEU A 77 -10.558 -0.223 -0.522 1.00 0.00 C ATOM 0 H LEU A 77 -12.982 3.119 1.969 1.00 0.00 H new ATOM 0 HA LEU A 77 -10.583 3.890 0.585 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -11.050 1.656 1.652 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -12.361 1.402 0.518 1.00 0.00 H new ATOM 0 HG LEU A 77 -10.615 1.743 -1.341 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -8.262 1.198 -0.678 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -8.829 2.703 0.084 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -8.759 1.197 1.030 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -9.836 -0.595 -1.249 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -10.385 -0.704 0.441 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -11.568 -0.450 -0.864 1.00 0.00 H new ATOM 1191 N ASP A 78 -13.386 3.405 -1.111 1.00 0.00 N ATOM 1192 CA ASP A 78 -14.061 3.464 -2.407 1.00 0.00 C ATOM 1193 C ASP A 78 -13.920 4.839 -3.073 1.00 0.00 C ATOM 1194 O ASP A 78 -13.381 4.898 -4.177 1.00 0.00 O ATOM 1195 CB ASP A 78 -15.543 3.082 -2.252 1.00 0.00 C ATOM 1196 CG ASP A 78 -15.805 1.668 -2.747 1.00 0.00 C ATOM 1197 OD1 ASP A 78 -15.785 1.427 -3.975 1.00 0.00 O ATOM 1198 OD2 ASP A 78 -16.032 0.787 -1.890 1.00 0.00 O ATOM 0 H ASP A 78 -13.990 3.048 -0.371 1.00 0.00 H new ATOM 0 HA ASP A 78 -13.574 2.743 -3.063 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -15.834 3.162 -1.205 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -16.162 3.785 -2.809 1.00 0.00 H new ATOM 1203 N PRO A 79 -14.316 5.959 -2.436 1.00 0.00 N ATOM 1204 CA PRO A 79 -14.286 7.271 -3.077 1.00 0.00 C ATOM 1205 C PRO A 79 -12.867 7.824 -3.266 1.00 0.00 C ATOM 1206 O PRO A 79 -12.708 8.888 -3.870 1.00 0.00 O ATOM 1207 CB PRO A 79 -15.143 8.171 -2.180 1.00 0.00 C ATOM 1208 CG PRO A 79 -14.959 7.554 -0.799 1.00 0.00 C ATOM 1209 CD PRO A 79 -14.916 6.066 -1.112 1.00 0.00 C ATOM 0 HA PRO A 79 -14.675 7.215 -4.094 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -14.805 9.207 -2.207 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -16.189 8.168 -2.487 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -14.041 7.895 -0.320 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -15.781 7.805 -0.129 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -14.327 5.527 -0.370 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -15.917 5.634 -1.099 1.00 0.00 H new ATOM 1217 N LEU A 80 -11.827 7.147 -2.765 1.00 0.00 N ATOM 1218 CA LEU A 80 -10.433 7.496 -3.016 1.00 0.00 C ATOM 1219 C LEU A 80 -9.823 6.592 -4.093 1.00 0.00 C ATOM 1220 O LEU A 80 -8.655 6.763 -4.455 1.00 0.00 O ATOM 1221 CB LEU A 80 -9.650 7.428 -1.700 1.00 0.00 C ATOM 1222 CG LEU A 80 -10.147 8.416 -0.625 1.00 0.00 C ATOM 1223 CD1 LEU A 80 -9.367 8.221 0.674 1.00 0.00 C ATOM 1224 CD2 LEU A 80 -10.002 9.879 -1.061 1.00 0.00 C ATOM 0 H LEU A 80 -11.937 6.329 -2.165 1.00 0.00 H new ATOM 0 HA LEU A 80 -10.378 8.515 -3.399 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -9.712 6.414 -1.304 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -8.598 7.627 -1.904 1.00 0.00 H new ATOM 0 HG LEU A 80 -11.206 8.204 -0.475 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -9.728 8.925 1.424 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -9.509 7.202 1.034 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -8.307 8.397 0.492 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -10.366 10.533 -0.268 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -8.952 10.098 -1.258 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -10.584 10.048 -1.967 1.00 0.00 H new ATOM 1236 N LEU A 81 -10.592 5.642 -4.632 1.00 0.00 N ATOM 1237 CA LEU A 81 -10.149 4.626 -5.579 1.00 0.00 C ATOM 1238 C LEU A 81 -11.090 4.439 -6.762 1.00 0.00 C ATOM 1239 O LEU A 81 -10.812 3.585 -7.603 1.00 0.00 O ATOM 1240 CB LEU A 81 -9.957 3.293 -4.838 1.00 0.00 C ATOM 1241 CG LEU A 81 -8.496 3.087 -4.431 1.00 0.00 C ATOM 1242 CD1 LEU A 81 -8.416 1.956 -3.412 1.00 0.00 C ATOM 1243 CD2 LEU A 81 -7.605 2.755 -5.637 1.00 0.00 C ATOM 0 H LEU A 81 -11.584 5.560 -4.407 1.00 0.00 H new ATOM 0 HA LEU A 81 -9.205 4.973 -5.999 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -10.590 3.274 -3.951 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -10.278 2.470 -5.477 1.00 0.00 H new ATOM 0 HG LEU A 81 -8.132 4.019 -3.998 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -7.377 1.804 -3.118 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -9.008 2.215 -2.534 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -8.806 1.039 -3.855 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -6.577 2.617 -5.303 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -7.959 1.839 -6.110 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -7.646 3.573 -6.356 1.00 0.00 H new ATOM 1255 N LYS A 82 -12.161 5.217 -6.878 1.00 0.00 N ATOM 1256 CA LYS A 82 -13.130 5.163 -7.967 1.00 0.00 C ATOM 1257 C LYS A 82 -13.598 6.579 -8.210 1.00 0.00 C ATOM 1258 O LYS A 82 -13.387 7.443 -7.335 1.00 0.00 O ATOM 1259 CB LYS A 82 -14.302 4.238 -7.592 1.00 0.00 C ATOM 1260 CG LYS A 82 -14.108 2.919 -8.342 1.00 0.00 C ATOM 1261 CD LYS A 82 -15.201 1.886 -8.073 1.00 0.00 C ATOM 1262 CE LYS A 82 -15.032 0.703 -9.035 1.00 0.00 C ATOM 1263 NZ LYS A 82 -13.765 -0.038 -8.852 1.00 0.00 N ATOM 1264 OXT LYS A 82 -14.140 6.851 -9.300 1.00 0.00 O ATOM 0 H LYS A 82 -12.387 5.932 -6.187 1.00 0.00 H new ATOM 0 HA LYS A 82 -12.685 4.755 -8.874 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -14.325 4.067 -6.516 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -15.253 4.696 -7.863 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -14.070 3.123 -9.412 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -13.144 2.493 -8.065 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -15.144 1.541 -7.041 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -16.184 2.338 -8.204 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -15.867 0.015 -8.901 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -15.083 1.070 -10.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -13.656 -0.734 -9.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -12.967 0.628 -8.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -13.780 -0.531 -7.936 1.00 0.00 H new TER 1278 LYS A 82