USER MOD reduce.3.24.130724 H: found=0, std=0, add=783, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 784 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 92 SER OG : rot -140:sc= 1.1 USER MOD Set 1.2: A 114 LYS NZ :NH3+ 150:sc= 2.48 (180deg=1.06) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 MET CE :methyl 149:sc= -4.17! (180deg=-6.57!) USER MOD Single : A 30 LYS NZ :NH3+ -176:sc= 1.29 (180deg=1.21) USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -0.244 X(o=-0.24,f=-0.32) USER MOD Single : A 46 LYS NZ :NH3+ -169:sc= -0.0191 (180deg=-0.137) USER MOD Single : A 51 TYR OH : rot 81:sc= 0.473 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= 0.406 K(o=0.41,f=-1.9!) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -0.146 K(o=-0.15,f=-7.3!) USER MOD Single : A 71 LYS NZ :NH3+ -153:sc= 1.13 (180deg=0.472) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00379) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc=-0.00279 USER MOD Single : A 80 ASN : amide:sc= 0 X(o=0,f=0.084) USER MOD Single : A 84 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00632) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= -0.0178 USER MOD Single : A 101 SER OG : rot -24:sc= -0.727 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : A 107 GLN : amide:sc= -0.0217 X(o=-0.022,f=0) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 GLN : amide:sc= -1.87! C(o=-1.9!,f=-7!) USER MOD Single : A 116 LYS NZ :NH3+ 135:sc= -0.126 (180deg=-0.584) USER MOD ----------------------------------------------------------------- ATOM 39 N ASN A 19 -14.703 -0.739 6.204 1.00 0.00 N ATOM 40 CA ASN A 19 -13.844 -0.114 7.200 1.00 0.00 C ATOM 41 C ASN A 19 -12.457 -0.723 7.183 1.00 0.00 C ATOM 42 O ASN A 19 -12.279 -1.933 7.312 1.00 0.00 O ATOM 43 CB ASN A 19 -14.437 -0.219 8.606 1.00 0.00 C ATOM 44 CG ASN A 19 -15.815 0.406 8.717 1.00 0.00 C ATOM 45 OD1 ASN A 19 -15.948 1.604 8.964 1.00 0.00 O ATOM 46 ND2 ASN A 19 -16.850 -0.405 8.557 1.00 0.00 N ATOM 0 HA ASN A 19 -13.771 0.941 6.937 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -14.496 -1.269 8.892 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -13.766 0.267 9.314 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -17.800 -0.042 8.638 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -16.697 -1.393 8.353 1.00 0.00 H new ATOM 53 N PRO A 20 -11.466 0.153 7.059 1.00 0.00 N ATOM 54 CA PRO A 20 -10.058 -0.216 6.928 1.00 0.00 C ATOM 55 C PRO A 20 -9.498 -0.789 8.222 1.00 0.00 C ATOM 56 O PRO A 20 -8.488 -1.487 8.223 1.00 0.00 O ATOM 57 CB PRO A 20 -9.381 1.116 6.586 1.00 0.00 C ATOM 58 CG PRO A 20 -10.288 2.165 7.129 1.00 0.00 C ATOM 59 CD PRO A 20 -11.671 1.602 7.061 1.00 0.00 C ATOM 0 HA PRO A 20 -9.898 -0.993 6.181 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -8.390 1.181 7.035 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -9.251 1.227 5.509 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -10.021 2.416 8.155 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -10.213 3.083 6.546 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -12.273 1.918 7.913 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -12.192 1.932 6.162 1.00 0.00 H new ATOM 67 N GLU A 21 -10.189 -0.504 9.314 1.00 0.00 N ATOM 68 CA GLU A 21 -9.754 -0.904 10.644 1.00 0.00 C ATOM 69 C GLU A 21 -10.026 -2.381 10.867 1.00 0.00 C ATOM 70 O GLU A 21 -9.372 -3.036 11.677 1.00 0.00 O ATOM 71 CB GLU A 21 -10.488 -0.063 11.684 1.00 0.00 C ATOM 72 CG GLU A 21 -10.553 1.399 11.289 1.00 0.00 C ATOM 73 CD GLU A 21 -11.361 2.247 12.245 1.00 0.00 C ATOM 74 OE1 GLU A 21 -10.851 2.581 13.337 1.00 0.00 O ATOM 75 OE2 GLU A 21 -12.511 2.591 11.907 1.00 0.00 O ATOM 0 H GLU A 21 -11.069 0.012 9.304 1.00 0.00 H new ATOM 0 HA GLU A 21 -8.681 -0.740 10.739 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -11.499 -0.449 11.814 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -9.985 -0.156 12.646 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -9.540 1.797 11.231 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -10.985 1.479 10.291 1.00 0.00 H new ATOM 82 N ASP A 22 -10.985 -2.900 10.121 1.00 0.00 N ATOM 83 CA ASP A 22 -11.360 -4.308 10.222 1.00 0.00 C ATOM 84 C ASP A 22 -10.577 -5.163 9.232 1.00 0.00 C ATOM 85 O ASP A 22 -11.059 -6.196 8.768 1.00 0.00 O ATOM 86 CB ASP A 22 -12.860 -4.493 10.001 1.00 0.00 C ATOM 87 CG ASP A 22 -13.683 -3.989 11.165 1.00 0.00 C ATOM 88 OD1 ASP A 22 -13.717 -4.670 12.215 1.00 0.00 O ATOM 89 OD2 ASP A 22 -14.291 -2.907 11.046 1.00 0.00 O ATOM 0 H ASP A 22 -11.522 -2.370 9.435 1.00 0.00 H new ATOM 0 HA ASP A 22 -11.113 -4.638 11.231 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -13.158 -3.966 9.094 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -13.073 -5.550 9.840 1.00 0.00 H new ATOM 94 N PHE A 23 -9.374 -4.723 8.905 1.00 0.00 N ATOM 95 CA PHE A 23 -8.476 -5.499 8.059 1.00 0.00 C ATOM 96 C PHE A 23 -7.295 -6.007 8.877 1.00 0.00 C ATOM 97 O PHE A 23 -6.996 -5.470 9.945 1.00 0.00 O ATOM 98 CB PHE A 23 -7.956 -4.648 6.893 1.00 0.00 C ATOM 99 CG PHE A 23 -8.931 -4.471 5.762 1.00 0.00 C ATOM 100 CD1 PHE A 23 -9.993 -3.588 5.868 1.00 0.00 C ATOM 101 CD2 PHE A 23 -8.774 -5.182 4.583 1.00 0.00 C ATOM 102 CE1 PHE A 23 -10.879 -3.420 4.820 1.00 0.00 C ATOM 103 CE2 PHE A 23 -9.657 -5.018 3.534 1.00 0.00 C ATOM 104 CZ PHE A 23 -10.711 -4.136 3.652 1.00 0.00 C ATOM 0 H PHE A 23 -8.993 -3.828 9.213 1.00 0.00 H new ATOM 0 HA PHE A 23 -9.035 -6.345 7.658 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -7.679 -3.665 7.274 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -7.047 -5.106 6.503 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -10.130 -3.025 6.779 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -7.950 -5.873 4.483 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -11.703 -2.728 4.915 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -9.522 -5.580 2.622 1.00 0.00 H new ATOM 0 HZ PHE A 23 -11.403 -4.006 2.833 1.00 0.00 H new ATOM 114 N LYS A 24 -6.624 -7.035 8.377 1.00 0.00 N ATOM 115 CA LYS A 24 -5.383 -7.492 8.981 1.00 0.00 C ATOM 116 C LYS A 24 -4.280 -6.510 8.647 1.00 0.00 C ATOM 117 O LYS A 24 -3.392 -6.239 9.460 1.00 0.00 O ATOM 118 CB LYS A 24 -4.984 -8.877 8.472 1.00 0.00 C ATOM 119 CG LYS A 24 -5.722 -10.025 9.135 1.00 0.00 C ATOM 120 CD LYS A 24 -5.470 -10.058 10.632 1.00 0.00 C ATOM 121 CE LYS A 24 -6.117 -11.271 11.279 1.00 0.00 C ATOM 122 NZ LYS A 24 -5.854 -11.326 12.741 1.00 0.00 N ATOM 0 H LYS A 24 -6.918 -7.566 7.557 1.00 0.00 H new ATOM 0 HA LYS A 24 -5.534 -7.555 10.059 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -5.160 -8.920 7.397 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -3.913 -9.013 8.625 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -6.791 -9.928 8.947 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -5.404 -10.968 8.691 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -4.397 -10.073 10.821 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -5.862 -9.149 11.088 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -7.193 -11.245 11.104 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -5.739 -12.178 10.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -6.312 -12.168 13.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -4.829 -11.376 12.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -6.237 -10.472 13.195 1.00 0.00 H new ATOM 136 N VAL A 25 -4.361 -5.964 7.441 1.00 0.00 N ATOM 137 CA VAL A 25 -3.373 -5.022 6.959 1.00 0.00 C ATOM 138 C VAL A 25 -3.403 -3.742 7.789 1.00 0.00 C ATOM 139 O VAL A 25 -2.434 -2.999 7.817 1.00 0.00 O ATOM 140 CB VAL A 25 -3.589 -4.679 5.462 1.00 0.00 C ATOM 141 CG1 VAL A 25 -4.227 -5.838 4.728 1.00 0.00 C ATOM 142 CG2 VAL A 25 -4.426 -3.423 5.283 1.00 0.00 C ATOM 0 H VAL A 25 -5.110 -6.163 6.777 1.00 0.00 H new ATOM 0 HA VAL A 25 -2.397 -5.497 7.061 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.605 -4.489 5.034 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -4.368 -5.572 3.680 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -3.580 -6.713 4.797 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -5.194 -6.066 5.178 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -4.553 -3.219 4.220 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -5.403 -3.568 5.744 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -3.923 -2.580 5.757 1.00 0.00 H new ATOM 152 N PHE A 26 -4.515 -3.501 8.476 1.00 0.00 N ATOM 153 CA PHE A 26 -4.663 -2.303 9.289 1.00 0.00 C ATOM 154 C PHE A 26 -3.545 -2.216 10.326 1.00 0.00 C ATOM 155 O PHE A 26 -2.918 -1.172 10.494 1.00 0.00 O ATOM 156 CB PHE A 26 -6.024 -2.295 9.984 1.00 0.00 C ATOM 157 CG PHE A 26 -6.286 -1.038 10.759 1.00 0.00 C ATOM 158 CD1 PHE A 26 -6.467 0.169 10.103 1.00 0.00 C ATOM 159 CD2 PHE A 26 -6.350 -1.063 12.140 1.00 0.00 C ATOM 160 CE1 PHE A 26 -6.707 1.327 10.813 1.00 0.00 C ATOM 161 CE2 PHE A 26 -6.590 0.092 12.855 1.00 0.00 C ATOM 162 CZ PHE A 26 -6.769 1.288 12.190 1.00 0.00 C ATOM 0 H PHE A 26 -5.326 -4.120 8.485 1.00 0.00 H new ATOM 0 HA PHE A 26 -4.598 -1.435 8.633 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -6.807 -2.423 9.236 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -6.085 -3.149 10.659 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -6.420 0.203 9.025 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -6.211 -1.997 12.664 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -6.846 2.262 10.291 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -6.638 0.060 13.933 1.00 0.00 H new ATOM 0 HZ PHE A 26 -6.958 2.193 12.748 1.00 0.00 H new ATOM 172 N LYS A 27 -3.292 -3.327 11.004 1.00 0.00 N ATOM 173 CA LYS A 27 -2.233 -3.403 11.986 1.00 0.00 C ATOM 174 C LYS A 27 -0.874 -3.499 11.299 1.00 0.00 C ATOM 175 O LYS A 27 0.073 -2.803 11.669 1.00 0.00 O ATOM 176 CB LYS A 27 -2.482 -4.620 12.877 1.00 0.00 C ATOM 177 CG LYS A 27 -1.234 -5.199 13.514 1.00 0.00 C ATOM 178 CD LYS A 27 -1.020 -4.720 14.946 1.00 0.00 C ATOM 179 CE LYS A 27 -0.827 -3.214 15.029 1.00 0.00 C ATOM 180 NZ LYS A 27 -0.628 -2.750 16.429 1.00 0.00 N ATOM 0 H LYS A 27 -3.816 -4.194 10.886 1.00 0.00 H new ATOM 0 HA LYS A 27 -2.228 -2.501 12.597 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -3.181 -4.340 13.665 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -2.965 -5.396 12.284 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.300 -6.287 13.507 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -0.366 -4.928 12.912 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -1.877 -5.008 15.555 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -0.147 -5.219 15.367 1.00 0.00 H new ATOM 0 HE2 LYS A 27 0.034 -2.926 14.426 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.696 -2.714 14.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.501 -1.718 16.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.460 -3.001 17.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 0.216 -3.206 16.829 1.00 0.00 H new ATOM 194 N TYR A 28 -0.793 -4.348 10.284 1.00 0.00 N ATOM 195 CA TYR A 28 0.465 -4.608 9.595 1.00 0.00 C ATOM 196 C TYR A 28 1.006 -3.370 8.890 1.00 0.00 C ATOM 197 O TYR A 28 2.195 -3.083 8.964 1.00 0.00 O ATOM 198 CB TYR A 28 0.297 -5.742 8.590 1.00 0.00 C ATOM 199 CG TYR A 28 0.456 -7.117 9.190 1.00 0.00 C ATOM 200 CD1 TYR A 28 1.717 -7.619 9.470 1.00 0.00 C ATOM 201 CD2 TYR A 28 -0.646 -7.913 9.468 1.00 0.00 C ATOM 202 CE1 TYR A 28 1.883 -8.875 10.011 1.00 0.00 C ATOM 203 CE2 TYR A 28 -0.491 -9.175 10.013 1.00 0.00 C ATOM 204 CZ TYR A 28 0.777 -9.651 10.282 1.00 0.00 C ATOM 205 OH TYR A 28 0.941 -10.905 10.826 1.00 0.00 O ATOM 0 H TYR A 28 -1.588 -4.871 9.917 1.00 0.00 H new ATOM 0 HA TYR A 28 1.190 -4.897 10.356 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -0.690 -5.667 8.134 1.00 0.00 H new ATOM 0 HB3 TYR A 28 1.028 -5.618 7.791 1.00 0.00 H new ATOM 0 HD1 TYR A 28 2.586 -7.014 9.260 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -1.638 -7.542 9.256 1.00 0.00 H new ATOM 0 HE1 TYR A 28 2.874 -9.249 10.221 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -1.357 -9.784 10.227 1.00 0.00 H new ATOM 0 HH TYR A 28 0.064 -11.322 10.957 1.00 0.00 H new ATOM 215 N MET A 29 0.141 -2.636 8.212 1.00 0.00 N ATOM 216 CA MET A 29 0.569 -1.455 7.476 1.00 0.00 C ATOM 217 C MET A 29 0.820 -0.290 8.422 1.00 0.00 C ATOM 218 O MET A 29 1.538 0.650 8.086 1.00 0.00 O ATOM 219 CB MET A 29 -0.457 -1.073 6.409 1.00 0.00 C ATOM 220 CG MET A 29 -0.711 -2.181 5.400 1.00 0.00 C ATOM 221 SD MET A 29 -1.751 -1.657 4.028 1.00 0.00 S ATOM 222 CE MET A 29 -0.742 -0.349 3.352 1.00 0.00 C ATOM 0 H MET A 29 -0.858 -2.834 8.155 1.00 0.00 H new ATOM 0 HA MET A 29 1.506 -1.694 6.973 1.00 0.00 H new ATOM 0 HB2 MET A 29 -1.397 -0.810 6.895 1.00 0.00 H new ATOM 0 HB3 MET A 29 -0.111 -0.183 5.883 1.00 0.00 H new ATOM 0 HG2 MET A 29 0.243 -2.536 5.011 1.00 0.00 H new ATOM 0 HG3 MET A 29 -1.183 -3.024 5.905 1.00 0.00 H new ATOM 0 HE1 MET A 29 -0.901 -0.286 2.275 1.00 0.00 H new ATOM 0 HE2 MET A 29 -1.017 0.599 3.815 1.00 0.00 H new ATOM 0 HE3 MET A 29 0.309 -0.560 3.552 1.00 0.00 H new ATOM 232 N LYS A 30 0.245 -0.361 9.614 1.00 0.00 N ATOM 233 CA LYS A 30 0.481 0.641 10.628 1.00 0.00 C ATOM 234 C LYS A 30 1.862 0.445 11.234 1.00 0.00 C ATOM 235 O LYS A 30 2.630 1.396 11.385 1.00 0.00 O ATOM 236 CB LYS A 30 -0.601 0.552 11.700 1.00 0.00 C ATOM 237 CG LYS A 30 -0.337 1.417 12.915 1.00 0.00 C ATOM 238 CD LYS A 30 -0.054 2.869 12.551 1.00 0.00 C ATOM 239 CE LYS A 30 -1.236 3.513 11.859 1.00 0.00 C ATOM 240 NZ LYS A 30 -0.991 4.950 11.567 1.00 0.00 N ATOM 0 H LYS A 30 -0.390 -1.107 9.898 1.00 0.00 H new ATOM 0 HA LYS A 30 0.441 1.633 10.178 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -1.557 0.841 11.262 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -0.697 -0.486 12.019 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -1.199 1.375 13.581 1.00 0.00 H new ATOM 0 HG3 LYS A 30 0.512 1.013 13.467 1.00 0.00 H new ATOM 0 HD2 LYS A 30 0.189 3.430 13.454 1.00 0.00 H new ATOM 0 HD3 LYS A 30 0.819 2.918 11.901 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -1.445 2.984 10.929 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -2.122 3.416 12.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -1.848 5.372 11.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -0.750 5.447 12.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -0.204 5.038 10.893 1.00 0.00 H new ATOM 254 N ILE A 31 2.183 -0.792 11.574 1.00 0.00 N ATOM 255 CA ILE A 31 3.515 -1.097 12.073 1.00 0.00 C ATOM 256 C ILE A 31 4.528 -0.989 10.939 1.00 0.00 C ATOM 257 O ILE A 31 5.702 -0.760 11.183 1.00 0.00 O ATOM 258 CB ILE A 31 3.611 -2.488 12.742 1.00 0.00 C ATOM 259 CG1 ILE A 31 3.513 -3.608 11.706 1.00 0.00 C ATOM 260 CG2 ILE A 31 2.534 -2.635 13.806 1.00 0.00 C ATOM 261 CD1 ILE A 31 3.461 -4.997 12.312 1.00 0.00 C ATOM 0 H ILE A 31 1.551 -1.591 11.516 1.00 0.00 H new ATOM 0 HA ILE A 31 3.739 -0.364 12.848 1.00 0.00 H new ATOM 0 HB ILE A 31 4.586 -2.570 13.222 1.00 0.00 H new ATOM 0 HG12 ILE A 31 2.621 -3.452 11.099 1.00 0.00 H new ATOM 0 HG13 ILE A 31 4.370 -3.546 11.035 1.00 0.00 H new ATOM 0 HG21 ILE A 31 2.612 -3.618 14.269 1.00 0.00 H new ATOM 0 HG22 ILE A 31 2.665 -1.864 14.566 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.551 -2.528 13.346 1.00 0.00 H new ATOM 0 HD11 ILE A 31 3.392 -5.739 11.516 1.00 0.00 H new ATOM 0 HD12 ILE A 31 4.365 -5.174 12.895 1.00 0.00 H new ATOM 0 HD13 ILE A 31 2.589 -5.079 12.961 1.00 0.00 H new ATOM 273 N LEU A 32 4.057 -1.156 9.701 1.00 0.00 N ATOM 274 CA LEU A 32 4.870 -0.899 8.512 1.00 0.00 C ATOM 275 C LEU A 32 5.294 0.561 8.520 1.00 0.00 C ATOM 276 O LEU A 32 6.486 0.875 8.467 1.00 0.00 O ATOM 277 CB LEU A 32 4.053 -1.217 7.247 1.00 0.00 C ATOM 278 CG LEU A 32 4.817 -1.282 5.914 1.00 0.00 C ATOM 279 CD1 LEU A 32 3.921 -1.869 4.838 1.00 0.00 C ATOM 280 CD2 LEU A 32 5.302 0.093 5.471 1.00 0.00 C ATOM 0 H LEU A 32 3.109 -1.471 9.496 1.00 0.00 H new ATOM 0 HA LEU A 32 5.756 -1.533 8.516 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.556 -2.175 7.398 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.271 -0.464 7.152 1.00 0.00 H new ATOM 0 HG LEU A 32 5.691 -1.916 6.065 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.466 -1.913 3.895 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.615 -2.874 5.128 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.038 -1.241 4.718 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.837 0.003 4.525 1.00 0.00 H new ATOM 0 HD22 LEU A 32 4.447 0.756 5.343 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.970 0.504 6.228 1.00 0.00 H new ATOM 292 N GLU A 33 4.286 1.433 8.591 1.00 0.00 N ATOM 293 CA GLU A 33 4.468 2.873 8.695 1.00 0.00 C ATOM 294 C GLU A 33 5.585 3.217 9.671 1.00 0.00 C ATOM 295 O GLU A 33 6.522 3.947 9.342 1.00 0.00 O ATOM 296 CB GLU A 33 3.161 3.476 9.187 1.00 0.00 C ATOM 297 CG GLU A 33 2.903 4.880 8.701 1.00 0.00 C ATOM 298 CD GLU A 33 1.588 5.432 9.205 1.00 0.00 C ATOM 299 OE1 GLU A 33 1.410 5.532 10.440 1.00 0.00 O ATOM 300 OE2 GLU A 33 0.718 5.754 8.371 1.00 0.00 O ATOM 0 H GLU A 33 3.307 1.149 8.577 1.00 0.00 H new ATOM 0 HA GLU A 33 4.742 3.274 7.719 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.337 2.837 8.869 1.00 0.00 H new ATOM 0 HB3 GLU A 33 3.162 3.476 10.277 1.00 0.00 H new ATOM 0 HG2 GLU A 33 3.715 5.529 9.027 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.904 4.890 7.611 1.00 0.00 H new ATOM 307 N GLU A 34 5.471 2.670 10.868 1.00 0.00 N ATOM 308 CA GLU A 34 6.447 2.897 11.917 1.00 0.00 C ATOM 309 C GLU A 34 7.785 2.219 11.608 1.00 0.00 C ATOM 310 O GLU A 34 8.806 2.888 11.490 1.00 0.00 O ATOM 311 CB GLU A 34 5.890 2.389 13.251 1.00 0.00 C ATOM 312 CG GLU A 34 6.925 2.295 14.357 1.00 0.00 C ATOM 313 CD GLU A 34 6.314 1.941 15.693 1.00 0.00 C ATOM 314 OE1 GLU A 34 5.744 0.835 15.820 1.00 0.00 O ATOM 315 OE2 GLU A 34 6.396 2.768 16.624 1.00 0.00 O ATOM 0 H GLU A 34 4.701 2.058 11.139 1.00 0.00 H new ATOM 0 HA GLU A 34 6.634 3.969 11.980 1.00 0.00 H new ATOM 0 HB2 GLU A 34 5.088 3.052 13.574 1.00 0.00 H new ATOM 0 HB3 GLU A 34 5.448 1.405 13.097 1.00 0.00 H new ATOM 0 HG2 GLU A 34 7.669 1.544 14.091 1.00 0.00 H new ATOM 0 HG3 GLU A 34 7.449 3.247 14.442 1.00 0.00 H new ATOM 322 N ALA A 35 7.754 0.901 11.439 1.00 0.00 N ATOM 323 CA ALA A 35 8.965 0.080 11.391 1.00 0.00 C ATOM 324 C ALA A 35 9.946 0.520 10.306 1.00 0.00 C ATOM 325 O ALA A 35 11.160 0.504 10.524 1.00 0.00 O ATOM 326 CB ALA A 35 8.595 -1.385 11.209 1.00 0.00 C ATOM 0 H ALA A 35 6.890 0.369 11.331 1.00 0.00 H new ATOM 0 HA ALA A 35 9.477 0.216 12.344 1.00 0.00 H new ATOM 0 HB1 ALA A 35 9.502 -1.988 11.174 1.00 0.00 H new ATOM 0 HB2 ALA A 35 7.975 -1.710 12.044 1.00 0.00 H new ATOM 0 HB3 ALA A 35 8.042 -1.508 10.278 1.00 0.00 H new ATOM 332 N MET A 36 9.426 0.918 9.150 1.00 0.00 N ATOM 333 CA MET A 36 10.268 1.338 8.033 1.00 0.00 C ATOM 334 C MET A 36 11.155 2.521 8.412 1.00 0.00 C ATOM 335 O MET A 36 12.321 2.588 8.019 1.00 0.00 O ATOM 336 CB MET A 36 9.399 1.694 6.831 1.00 0.00 C ATOM 337 CG MET A 36 8.674 0.498 6.248 1.00 0.00 C ATOM 338 SD MET A 36 9.793 -0.693 5.487 1.00 0.00 S ATOM 339 CE MET A 36 8.635 -1.961 4.972 1.00 0.00 C ATOM 0 H MET A 36 8.425 0.959 8.961 1.00 0.00 H new ATOM 0 HA MET A 36 10.921 0.505 7.773 1.00 0.00 H new ATOM 0 HB2 MET A 36 8.668 2.445 7.129 1.00 0.00 H new ATOM 0 HB3 MET A 36 10.023 2.145 6.059 1.00 0.00 H new ATOM 0 HG2 MET A 36 8.106 0.004 7.036 1.00 0.00 H new ATOM 0 HG3 MET A 36 7.955 0.842 5.504 1.00 0.00 H new ATOM 0 HE1 MET A 36 9.176 -2.771 4.482 1.00 0.00 H new ATOM 0 HE2 MET A 36 8.110 -2.351 5.844 1.00 0.00 H new ATOM 0 HE3 MET A 36 7.913 -1.534 4.276 1.00 0.00 H new ATOM 349 N GLU A 37 10.601 3.450 9.179 1.00 0.00 N ATOM 350 CA GLU A 37 11.360 4.604 9.640 1.00 0.00 C ATOM 351 C GLU A 37 12.023 4.312 10.980 1.00 0.00 C ATOM 352 O GLU A 37 13.108 4.812 11.277 1.00 0.00 O ATOM 353 CB GLU A 37 10.452 5.826 9.768 1.00 0.00 C ATOM 354 CG GLU A 37 11.144 7.032 10.382 1.00 0.00 C ATOM 355 CD GLU A 37 10.205 8.200 10.591 1.00 0.00 C ATOM 356 OE1 GLU A 37 9.412 8.166 11.558 1.00 0.00 O ATOM 357 OE2 GLU A 37 10.250 9.157 9.792 1.00 0.00 O ATOM 0 H GLU A 37 9.631 3.427 9.494 1.00 0.00 H new ATOM 0 HA GLU A 37 12.135 4.814 8.903 1.00 0.00 H new ATOM 0 HB2 GLU A 37 10.077 6.096 8.781 1.00 0.00 H new ATOM 0 HB3 GLU A 37 9.587 5.564 10.377 1.00 0.00 H new ATOM 0 HG2 GLU A 37 11.581 6.747 11.339 1.00 0.00 H new ATOM 0 HG3 GLU A 37 11.965 7.342 9.736 1.00 0.00 H new ATOM 364 N ASN A 38 11.362 3.485 11.773 1.00 0.00 N ATOM 365 CA ASN A 38 11.802 3.184 13.132 1.00 0.00 C ATOM 366 C ASN A 38 13.119 2.417 13.128 1.00 0.00 C ATOM 367 O ASN A 38 13.819 2.369 14.140 1.00 0.00 O ATOM 368 CB ASN A 38 10.726 2.378 13.867 1.00 0.00 C ATOM 369 CG ASN A 38 10.947 2.342 15.366 1.00 0.00 C ATOM 370 OD1 ASN A 38 11.604 1.443 15.893 1.00 0.00 O ATOM 371 ND2 ASN A 38 10.399 3.327 16.062 1.00 0.00 N ATOM 0 H ASN A 38 10.507 3.003 11.497 1.00 0.00 H new ATOM 0 HA ASN A 38 11.962 4.128 13.653 1.00 0.00 H new ATOM 0 HB2 ASN A 38 9.747 2.810 13.658 1.00 0.00 H new ATOM 0 HB3 ASN A 38 10.713 1.359 13.481 1.00 0.00 H new ATOM 0 HD21 ASN A 38 10.514 3.361 17.075 1.00 0.00 H new ATOM 0 HD22 ASN A 38 9.862 4.052 15.585 1.00 0.00 H new ATOM 378 N ASP A 39 13.446 1.822 11.985 1.00 0.00 N ATOM 379 CA ASP A 39 14.701 1.106 11.816 1.00 0.00 C ATOM 380 C ASP A 39 15.885 2.000 12.132 1.00 0.00 C ATOM 381 O ASP A 39 15.842 3.203 11.869 1.00 0.00 O ATOM 382 CB ASP A 39 14.835 0.564 10.392 1.00 0.00 C ATOM 383 CG ASP A 39 16.160 -0.135 10.171 1.00 0.00 C ATOM 384 OD1 ASP A 39 16.279 -1.317 10.551 1.00 0.00 O ATOM 385 OD2 ASP A 39 17.096 0.501 9.644 1.00 0.00 O ATOM 0 H ASP A 39 12.851 1.823 11.156 1.00 0.00 H new ATOM 0 HA ASP A 39 14.695 0.269 12.514 1.00 0.00 H new ATOM 0 HB2 ASP A 39 14.021 -0.132 10.191 1.00 0.00 H new ATOM 0 HB3 ASP A 39 14.735 1.384 9.681 1.00 0.00 H new ATOM 390 N THR A 40 16.921 1.415 12.701 1.00 0.00 N ATOM 391 CA THR A 40 18.100 2.157 13.126 1.00 0.00 C ATOM 392 C THR A 40 18.588 3.114 12.039 1.00 0.00 C ATOM 393 O THR A 40 18.850 4.297 12.297 1.00 0.00 O ATOM 394 CB THR A 40 19.238 1.190 13.511 1.00 0.00 C ATOM 395 OG1 THR A 40 19.437 0.222 12.470 1.00 0.00 O ATOM 396 CG2 THR A 40 18.920 0.474 14.812 1.00 0.00 C ATOM 0 H THR A 40 16.973 0.413 12.883 1.00 0.00 H new ATOM 0 HA THR A 40 17.814 2.747 13.997 1.00 0.00 H new ATOM 0 HB THR A 40 20.149 1.774 13.644 1.00 0.00 H new ATOM 0 HG1 THR A 40 20.163 -0.386 12.723 1.00 0.00 H new ATOM 0 HG21 THR A 40 19.736 -0.203 15.064 1.00 0.00 H new ATOM 0 HG22 THR A 40 18.797 1.207 15.610 1.00 0.00 H new ATOM 0 HG23 THR A 40 17.998 -0.096 14.698 1.00 0.00 H new ATOM 404 N GLU A 41 18.678 2.606 10.820 1.00 0.00 N ATOM 405 CA GLU A 41 19.192 3.389 9.707 1.00 0.00 C ATOM 406 C GLU A 41 18.068 3.894 8.810 1.00 0.00 C ATOM 407 O GLU A 41 18.347 4.519 7.785 1.00 0.00 O ATOM 408 CB GLU A 41 20.192 2.571 8.890 1.00 0.00 C ATOM 409 CG GLU A 41 21.451 2.214 9.661 1.00 0.00 C ATOM 410 CD GLU A 41 22.504 1.555 8.793 1.00 0.00 C ATOM 411 OE1 GLU A 41 23.303 2.286 8.171 1.00 0.00 O ATOM 412 OE2 GLU A 41 22.547 0.307 8.731 1.00 0.00 O ATOM 0 H GLU A 41 18.402 1.655 10.576 1.00 0.00 H new ATOM 0 HA GLU A 41 19.702 4.256 10.125 1.00 0.00 H new ATOM 0 HB2 GLU A 41 19.710 1.654 8.552 1.00 0.00 H new ATOM 0 HB3 GLU A 41 20.468 3.134 7.998 1.00 0.00 H new ATOM 0 HG2 GLU A 41 21.867 3.118 10.106 1.00 0.00 H new ATOM 0 HG3 GLU A 41 21.192 1.545 10.481 1.00 0.00 H new ATOM 419 N ASN A 42 16.811 3.644 9.216 1.00 0.00 N ATOM 420 CA ASN A 42 15.623 3.986 8.427 1.00 0.00 C ATOM 421 C ASN A 42 15.877 3.769 6.941 1.00 0.00 C ATOM 422 O ASN A 42 15.987 4.710 6.152 1.00 0.00 O ATOM 423 CB ASN A 42 15.103 5.410 8.727 1.00 0.00 C ATOM 424 CG ASN A 42 16.158 6.499 8.643 1.00 0.00 C ATOM 425 OD1 ASN A 42 16.345 7.128 7.603 1.00 0.00 O ATOM 426 ND2 ASN A 42 16.846 6.736 9.750 1.00 0.00 N ATOM 0 H ASN A 42 16.594 3.196 10.106 1.00 0.00 H new ATOM 0 HA ASN A 42 14.826 3.307 8.730 1.00 0.00 H new ATOM 0 HB2 ASN A 42 14.301 5.645 8.027 1.00 0.00 H new ATOM 0 HB3 ASN A 42 14.667 5.421 9.726 1.00 0.00 H new ATOM 0 HD21 ASN A 42 17.561 7.463 9.760 1.00 0.00 H new ATOM 0 HD22 ASN A 42 16.660 6.192 10.592 1.00 0.00 H new ATOM 433 N LEU A 43 15.953 2.491 6.576 1.00 0.00 N ATOM 434 CA LEU A 43 16.321 2.068 5.227 1.00 0.00 C ATOM 435 C LEU A 43 15.295 2.509 4.187 1.00 0.00 C ATOM 436 O LEU A 43 15.460 2.248 2.995 1.00 0.00 O ATOM 437 CB LEU A 43 16.483 0.547 5.191 1.00 0.00 C ATOM 438 CG LEU A 43 17.459 -0.021 6.224 1.00 0.00 C ATOM 439 CD1 LEU A 43 17.525 -1.535 6.123 1.00 0.00 C ATOM 440 CD2 LEU A 43 18.841 0.588 6.044 1.00 0.00 C ATOM 0 H LEU A 43 15.760 1.716 7.211 1.00 0.00 H new ATOM 0 HA LEU A 43 17.266 2.548 4.975 1.00 0.00 H new ATOM 0 HB2 LEU A 43 15.506 0.088 5.345 1.00 0.00 H new ATOM 0 HB3 LEU A 43 16.819 0.255 4.196 1.00 0.00 H new ATOM 0 HG LEU A 43 17.096 0.239 7.218 1.00 0.00 H new ATOM 0 HD11 LEU A 43 18.224 -1.919 6.866 1.00 0.00 H new ATOM 0 HD12 LEU A 43 16.536 -1.955 6.304 1.00 0.00 H new ATOM 0 HD13 LEU A 43 17.862 -1.819 5.126 1.00 0.00 H new ATOM 0 HD21 LEU A 43 19.521 0.172 6.787 1.00 0.00 H new ATOM 0 HD22 LEU A 43 19.212 0.360 5.045 1.00 0.00 H new ATOM 0 HD23 LEU A 43 18.782 1.669 6.171 1.00 0.00 H new ATOM 452 N ILE A 44 14.255 3.194 4.640 1.00 0.00 N ATOM 453 CA ILE A 44 13.235 3.720 3.745 1.00 0.00 C ATOM 454 C ILE A 44 13.850 4.725 2.764 1.00 0.00 C ATOM 455 O ILE A 44 13.349 4.918 1.658 1.00 0.00 O ATOM 456 CB ILE A 44 12.087 4.397 4.529 1.00 0.00 C ATOM 457 CG1 ILE A 44 10.888 4.631 3.613 1.00 0.00 C ATOM 458 CG2 ILE A 44 12.544 5.712 5.145 1.00 0.00 C ATOM 459 CD1 ILE A 44 10.066 3.388 3.350 1.00 0.00 C ATOM 0 H ILE A 44 14.095 3.399 5.626 1.00 0.00 H new ATOM 0 HA ILE A 44 12.821 2.878 3.190 1.00 0.00 H new ATOM 0 HB ILE A 44 11.790 3.730 5.338 1.00 0.00 H new ATOM 0 HG12 ILE A 44 10.246 5.392 4.058 1.00 0.00 H new ATOM 0 HG13 ILE A 44 11.242 5.029 2.662 1.00 0.00 H new ATOM 0 HG21 ILE A 44 11.716 6.166 5.690 1.00 0.00 H new ATOM 0 HG22 ILE A 44 13.371 5.525 5.830 1.00 0.00 H new ATOM 0 HG23 ILE A 44 12.873 6.388 4.356 1.00 0.00 H new ATOM 0 HD11 ILE A 44 9.233 3.635 2.692 1.00 0.00 H new ATOM 0 HD12 ILE A 44 10.691 2.632 2.876 1.00 0.00 H new ATOM 0 HD13 ILE A 44 9.680 3.000 4.293 1.00 0.00 H new ATOM 471 N GLU A 45 14.962 5.341 3.171 1.00 0.00 N ATOM 472 CA GLU A 45 15.634 6.339 2.346 1.00 0.00 C ATOM 473 C GLU A 45 16.383 5.698 1.177 1.00 0.00 C ATOM 474 O GLU A 45 16.819 6.388 0.256 1.00 0.00 O ATOM 475 CB GLU A 45 16.598 7.177 3.182 1.00 0.00 C ATOM 476 CG GLU A 45 17.600 6.348 3.952 1.00 0.00 C ATOM 477 CD GLU A 45 18.685 7.185 4.599 1.00 0.00 C ATOM 478 OE1 GLU A 45 18.421 8.353 4.953 1.00 0.00 O ATOM 479 OE2 GLU A 45 19.813 6.671 4.759 1.00 0.00 O ATOM 0 H GLU A 45 15.414 5.164 4.068 1.00 0.00 H new ATOM 0 HA GLU A 45 14.860 6.989 1.937 1.00 0.00 H new ATOM 0 HB2 GLU A 45 17.133 7.864 2.527 1.00 0.00 H new ATOM 0 HB3 GLU A 45 16.026 7.785 3.882 1.00 0.00 H new ATOM 0 HG2 GLU A 45 17.078 5.780 4.722 1.00 0.00 H new ATOM 0 HG3 GLU A 45 18.059 5.624 3.278 1.00 0.00 H new ATOM 486 N LYS A 46 16.540 4.381 1.219 1.00 0.00 N ATOM 487 CA LYS A 46 17.214 3.661 0.146 1.00 0.00 C ATOM 488 C LYS A 46 16.227 3.294 -0.953 1.00 0.00 C ATOM 489 O LYS A 46 16.611 3.027 -2.091 1.00 0.00 O ATOM 490 CB LYS A 46 17.876 2.393 0.680 1.00 0.00 C ATOM 491 CG LYS A 46 19.082 2.664 1.555 1.00 0.00 C ATOM 492 CD LYS A 46 19.578 1.389 2.222 1.00 0.00 C ATOM 493 CE LYS A 46 20.789 1.641 3.105 1.00 0.00 C ATOM 494 NZ LYS A 46 21.946 2.182 2.342 1.00 0.00 N ATOM 0 H LYS A 46 16.211 3.791 1.983 1.00 0.00 H new ATOM 0 HA LYS A 46 17.982 4.316 -0.266 1.00 0.00 H new ATOM 0 HB2 LYS A 46 17.143 1.823 1.251 1.00 0.00 H new ATOM 0 HB3 LYS A 46 18.180 1.769 -0.161 1.00 0.00 H new ATOM 0 HG2 LYS A 46 19.881 3.097 0.953 1.00 0.00 H new ATOM 0 HG3 LYS A 46 18.823 3.399 2.317 1.00 0.00 H new ATOM 0 HD2 LYS A 46 18.776 0.958 2.821 1.00 0.00 H new ATOM 0 HD3 LYS A 46 19.834 0.656 1.457 1.00 0.00 H new ATOM 0 HE2 LYS A 46 20.519 2.342 3.895 1.00 0.00 H new ATOM 0 HE3 LYS A 46 21.081 0.710 3.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 22.796 2.162 2.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 22.105 1.601 1.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 21.746 3.162 2.057 1.00 0.00 H new ATOM 508 N VAL A 47 14.954 3.298 -0.598 1.00 0.00 N ATOM 509 CA VAL A 47 13.901 2.829 -1.483 1.00 0.00 C ATOM 510 C VAL A 47 12.771 3.862 -1.555 1.00 0.00 C ATOM 511 O VAL A 47 11.595 3.527 -1.710 1.00 0.00 O ATOM 512 CB VAL A 47 13.382 1.446 -1.006 1.00 0.00 C ATOM 513 CG1 VAL A 47 12.766 1.537 0.382 1.00 0.00 C ATOM 514 CG2 VAL A 47 12.405 0.835 -2.004 1.00 0.00 C ATOM 0 H VAL A 47 14.621 3.625 0.309 1.00 0.00 H new ATOM 0 HA VAL A 47 14.303 2.707 -2.489 1.00 0.00 H new ATOM 0 HB VAL A 47 14.243 0.780 -0.946 1.00 0.00 H new ATOM 0 HG11 VAL A 47 12.412 0.553 0.688 1.00 0.00 H new ATOM 0 HG12 VAL A 47 13.516 1.889 1.090 1.00 0.00 H new ATOM 0 HG13 VAL A 47 11.928 2.234 0.363 1.00 0.00 H new ATOM 0 HG21 VAL A 47 12.064 -0.132 -1.634 1.00 0.00 H new ATOM 0 HG22 VAL A 47 11.549 1.498 -2.128 1.00 0.00 H new ATOM 0 HG23 VAL A 47 12.902 0.702 -2.965 1.00 0.00 H new ATOM 524 N ARG A 48 13.145 5.133 -1.431 1.00 0.00 N ATOM 525 CA ARG A 48 12.172 6.217 -1.406 1.00 0.00 C ATOM 526 C ARG A 48 11.270 6.190 -2.623 1.00 0.00 C ATOM 527 O ARG A 48 11.708 6.353 -3.764 1.00 0.00 O ATOM 528 CB ARG A 48 12.852 7.575 -1.278 1.00 0.00 C ATOM 529 CG ARG A 48 13.448 7.781 0.093 1.00 0.00 C ATOM 530 CD ARG A 48 13.861 9.226 0.329 1.00 0.00 C ATOM 531 NE ARG A 48 14.876 9.684 -0.621 1.00 0.00 N ATOM 532 CZ ARG A 48 15.592 10.799 -0.458 1.00 0.00 C ATOM 533 NH1 ARG A 48 15.456 11.528 0.642 1.00 0.00 N ATOM 534 NH2 ARG A 48 16.461 11.172 -1.390 1.00 0.00 N ATOM 0 H ARG A 48 14.115 5.436 -1.346 1.00 0.00 H new ATOM 0 HA ARG A 48 11.551 6.062 -0.524 1.00 0.00 H new ATOM 0 HB2 ARG A 48 13.636 7.661 -2.031 1.00 0.00 H new ATOM 0 HB3 ARG A 48 12.128 8.364 -1.481 1.00 0.00 H new ATOM 0 HG2 ARG A 48 12.723 7.484 0.851 1.00 0.00 H new ATOM 0 HG3 ARG A 48 14.316 7.133 0.211 1.00 0.00 H new ATOM 0 HD2 ARG A 48 12.983 9.868 0.254 1.00 0.00 H new ATOM 0 HD3 ARG A 48 14.246 9.329 1.344 1.00 0.00 H new ATOM 0 HE ARG A 48 15.046 9.120 -1.454 1.00 0.00 H new ATOM 0 HH11 ARG A 48 14.802 11.238 1.369 1.00 0.00 H new ATOM 0 HH12 ARG A 48 16.006 12.379 0.761 1.00 0.00 H new ATOM 0 HH21 ARG A 48 16.581 10.607 -2.230 1.00 0.00 H new ATOM 0 HH22 ARG A 48 17.008 12.024 -1.266 1.00 0.00 H new ATOM 548 N GLY A 49 10.004 5.984 -2.346 1.00 0.00 N ATOM 549 CA GLY A 49 9.013 5.861 -3.385 1.00 0.00 C ATOM 550 C GLY A 49 7.638 5.665 -2.805 1.00 0.00 C ATOM 551 O GLY A 49 7.488 5.511 -1.595 1.00 0.00 O ATOM 0 H GLY A 49 9.635 5.898 -1.399 1.00 0.00 H new ATOM 0 HA2 GLY A 49 9.023 6.755 -4.009 1.00 0.00 H new ATOM 0 HA3 GLY A 49 9.262 5.019 -4.031 1.00 0.00 H new ATOM 555 N ILE A 50 6.633 5.681 -3.648 1.00 0.00 N ATOM 556 CA ILE A 50 5.266 5.543 -3.186 1.00 0.00 C ATOM 557 C ILE A 50 4.723 4.155 -3.495 1.00 0.00 C ATOM 558 O ILE A 50 4.826 3.671 -4.622 1.00 0.00 O ATOM 559 CB ILE A 50 4.369 6.623 -3.810 1.00 0.00 C ATOM 560 CG1 ILE A 50 4.933 8.001 -3.467 1.00 0.00 C ATOM 561 CG2 ILE A 50 2.932 6.484 -3.323 1.00 0.00 C ATOM 562 CD1 ILE A 50 4.145 9.150 -4.041 1.00 0.00 C ATOM 0 H ILE A 50 6.732 5.788 -4.657 1.00 0.00 H new ATOM 0 HA ILE A 50 5.263 5.676 -2.104 1.00 0.00 H new ATOM 0 HB ILE A 50 4.358 6.500 -4.893 1.00 0.00 H new ATOM 0 HG12 ILE A 50 4.971 8.106 -2.383 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.959 8.062 -3.829 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.317 7.260 -3.779 1.00 0.00 H new ATOM 0 HG22 ILE A 50 2.546 5.504 -3.603 1.00 0.00 H new ATOM 0 HG23 ILE A 50 2.904 6.589 -2.238 1.00 0.00 H new ATOM 0 HD11 ILE A 50 4.611 10.092 -3.751 1.00 0.00 H new ATOM 0 HD12 ILE A 50 4.128 9.073 -5.128 1.00 0.00 H new ATOM 0 HD13 ILE A 50 3.125 9.118 -3.659 1.00 0.00 H new ATOM 574 N TYR A 51 4.162 3.515 -2.486 1.00 0.00 N ATOM 575 CA TYR A 51 3.626 2.176 -2.636 1.00 0.00 C ATOM 576 C TYR A 51 2.108 2.210 -2.510 1.00 0.00 C ATOM 577 O TYR A 51 1.575 2.722 -1.532 1.00 0.00 O ATOM 578 CB TYR A 51 4.199 1.242 -1.565 1.00 0.00 C ATOM 579 CG TYR A 51 5.672 1.443 -1.270 1.00 0.00 C ATOM 580 CD1 TYR A 51 6.652 0.787 -2.003 1.00 0.00 C ATOM 581 CD2 TYR A 51 6.080 2.282 -0.241 1.00 0.00 C ATOM 582 CE1 TYR A 51 7.993 0.962 -1.713 1.00 0.00 C ATOM 583 CE2 TYR A 51 7.412 2.463 0.050 1.00 0.00 C ATOM 584 CZ TYR A 51 8.365 1.803 -0.685 1.00 0.00 C ATOM 585 OH TYR A 51 9.691 1.975 -0.375 1.00 0.00 O ATOM 0 H TYR A 51 4.066 3.904 -1.548 1.00 0.00 H new ATOM 0 HA TYR A 51 3.907 1.802 -3.621 1.00 0.00 H new ATOM 0 HB2 TYR A 51 3.636 1.381 -0.642 1.00 0.00 H new ATOM 0 HB3 TYR A 51 4.043 0.211 -1.881 1.00 0.00 H new ATOM 0 HD1 TYR A 51 6.363 0.131 -2.811 1.00 0.00 H new ATOM 0 HD2 TYR A 51 5.336 2.803 0.343 1.00 0.00 H new ATOM 0 HE1 TYR A 51 8.745 0.443 -2.289 1.00 0.00 H new ATOM 0 HE2 TYR A 51 7.707 3.122 0.853 1.00 0.00 H new ATOM 0 HH TYR A 51 10.089 2.626 -0.990 1.00 0.00 H new ATOM 595 N GLY A 52 1.417 1.688 -3.502 1.00 0.00 N ATOM 596 CA GLY A 52 -0.025 1.607 -3.427 1.00 0.00 C ATOM 597 C GLY A 52 -0.484 0.197 -3.128 1.00 0.00 C ATOM 598 O GLY A 52 -0.160 -0.734 -3.863 1.00 0.00 O ATOM 0 H GLY A 52 1.825 1.318 -4.360 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.389 2.282 -2.652 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.459 1.940 -4.370 1.00 0.00 H new ATOM 602 N PHE A 53 -1.211 0.030 -2.039 1.00 0.00 N ATOM 603 CA PHE A 53 -1.690 -1.287 -1.647 1.00 0.00 C ATOM 604 C PHE A 53 -3.185 -1.428 -1.881 1.00 0.00 C ATOM 605 O PHE A 53 -3.999 -0.810 -1.192 1.00 0.00 O ATOM 606 CB PHE A 53 -1.353 -1.574 -0.183 1.00 0.00 C ATOM 607 CG PHE A 53 -0.076 -2.349 -0.003 1.00 0.00 C ATOM 608 CD1 PHE A 53 1.131 -1.848 -0.463 1.00 0.00 C ATOM 609 CD2 PHE A 53 -0.087 -3.584 0.628 1.00 0.00 C ATOM 610 CE1 PHE A 53 2.303 -2.560 -0.295 1.00 0.00 C ATOM 611 CE2 PHE A 53 1.082 -4.301 0.797 1.00 0.00 C ATOM 612 CZ PHE A 53 2.278 -3.789 0.336 1.00 0.00 C ATOM 0 H PHE A 53 -1.483 0.786 -1.410 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.181 -2.020 -2.273 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.275 -0.630 0.356 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -2.174 -2.131 0.268 1.00 0.00 H new ATOM 0 HD1 PHE A 53 1.156 -0.889 -0.959 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -1.020 -3.990 0.991 1.00 0.00 H new ATOM 0 HE1 PHE A 53 3.237 -2.157 -0.656 1.00 0.00 H new ATOM 0 HE2 PHE A 53 1.060 -5.262 1.290 1.00 0.00 H new ATOM 0 HZ PHE A 53 3.193 -4.348 0.468 1.00 0.00 H new ATOM 622 N LYS A 54 -3.529 -2.235 -2.872 1.00 0.00 N ATOM 623 CA LYS A 54 -4.915 -2.546 -3.177 1.00 0.00 C ATOM 624 C LYS A 54 -5.281 -3.880 -2.538 1.00 0.00 C ATOM 625 O LYS A 54 -4.959 -4.945 -3.069 1.00 0.00 O ATOM 626 CB LYS A 54 -5.125 -2.604 -4.693 1.00 0.00 C ATOM 627 CG LYS A 54 -5.054 -1.251 -5.381 1.00 0.00 C ATOM 628 CD LYS A 54 -5.164 -1.399 -6.888 1.00 0.00 C ATOM 629 CE LYS A 54 -5.122 -0.053 -7.594 1.00 0.00 C ATOM 630 NZ LYS A 54 -5.169 -0.205 -9.073 1.00 0.00 N ATOM 0 H LYS A 54 -2.855 -2.692 -3.487 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.559 -1.765 -2.774 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -4.372 -3.261 -5.128 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -6.097 -3.053 -4.898 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -5.857 -0.611 -5.016 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -4.115 -0.760 -5.128 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -4.349 -2.025 -7.252 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -6.094 -1.910 -7.136 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -5.963 0.557 -7.264 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -4.213 0.478 -7.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -5.138 0.734 -9.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -4.353 -0.766 -9.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -6.049 -0.689 -9.344 1.00 0.00 H new ATOM 644 N VAL A 55 -5.946 -3.816 -1.396 1.00 0.00 N ATOM 645 CA VAL A 55 -6.205 -5.002 -0.598 1.00 0.00 C ATOM 646 C VAL A 55 -7.666 -5.436 -0.711 1.00 0.00 C ATOM 647 O VAL A 55 -8.579 -4.670 -0.411 1.00 0.00 O ATOM 648 CB VAL A 55 -5.856 -4.752 0.883 1.00 0.00 C ATOM 649 CG1 VAL A 55 -5.853 -6.051 1.665 1.00 0.00 C ATOM 650 CG2 VAL A 55 -4.510 -4.052 1.009 1.00 0.00 C ATOM 0 H VAL A 55 -6.317 -2.952 -1.000 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.572 -5.800 -0.985 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.623 -4.102 1.304 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -5.604 -5.848 2.707 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -6.840 -6.511 1.611 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -5.113 -6.729 1.241 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -4.284 -3.885 2.062 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -3.733 -4.674 0.565 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -4.548 -3.094 0.490 1.00 0.00 H new ATOM 660 N ARG A 56 -7.876 -6.669 -1.146 1.00 0.00 N ATOM 661 CA ARG A 56 -9.222 -7.201 -1.337 1.00 0.00 C ATOM 662 C ARG A 56 -9.564 -8.221 -0.250 1.00 0.00 C ATOM 663 O ARG A 56 -8.749 -8.483 0.630 1.00 0.00 O ATOM 664 CB ARG A 56 -9.334 -7.854 -2.716 1.00 0.00 C ATOM 665 CG ARG A 56 -9.015 -6.910 -3.865 1.00 0.00 C ATOM 666 CD ARG A 56 -9.234 -7.581 -5.210 1.00 0.00 C ATOM 667 NE ARG A 56 -10.625 -8.000 -5.380 1.00 0.00 N ATOM 668 CZ ARG A 56 -11.027 -8.956 -6.216 1.00 0.00 C ATOM 669 NH1 ARG A 56 -10.147 -9.598 -6.976 1.00 0.00 N ATOM 670 NH2 ARG A 56 -12.315 -9.268 -6.290 1.00 0.00 N ATOM 0 H ARG A 56 -7.129 -7.325 -1.375 1.00 0.00 H new ATOM 0 HA ARG A 56 -9.930 -6.375 -1.269 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -8.658 -8.708 -2.760 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -10.345 -8.241 -2.845 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -9.643 -6.022 -3.793 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -7.980 -6.576 -3.787 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -8.960 -6.893 -6.010 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -8.579 -8.448 -5.296 1.00 0.00 H new ATOM 0 HE ARG A 56 -11.335 -7.528 -4.820 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -9.157 -9.360 -6.922 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -10.462 -10.329 -7.614 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -12.993 -8.776 -5.708 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -12.627 -9.999 -6.929 1.00 0.00 H new ATOM 684 N ASN A 57 -10.770 -8.790 -0.323 1.00 0.00 N ATOM 685 CA ASN A 57 -11.218 -9.833 0.614 1.00 0.00 C ATOM 686 C ASN A 57 -11.264 -9.317 2.047 1.00 0.00 C ATOM 687 O ASN A 57 -10.760 -9.958 2.972 1.00 0.00 O ATOM 688 CB ASN A 57 -10.316 -11.070 0.549 1.00 0.00 C ATOM 689 CG ASN A 57 -10.461 -11.857 -0.742 1.00 0.00 C ATOM 690 OD1 ASN A 57 -10.772 -11.305 -1.797 1.00 0.00 O ATOM 691 ND2 ASN A 57 -10.228 -13.158 -0.670 1.00 0.00 N ATOM 0 H ASN A 57 -11.464 -8.544 -1.029 1.00 0.00 H new ATOM 0 HA ASN A 57 -12.226 -10.113 0.309 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -9.277 -10.759 0.661 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -10.546 -11.723 1.391 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -10.304 -13.737 -1.506 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -9.972 -13.582 0.222 1.00 0.00 H new ATOM 698 N GLY A 58 -11.866 -8.153 2.217 1.00 0.00 N ATOM 699 CA GLY A 58 -12.031 -7.577 3.535 1.00 0.00 C ATOM 700 C GLY A 58 -13.123 -8.259 4.340 1.00 0.00 C ATOM 701 O GLY A 58 -13.600 -9.325 3.949 1.00 0.00 O ATOM 0 H GLY A 58 -12.248 -7.590 1.457 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -11.088 -7.646 4.078 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -12.266 -6.517 3.437 1.00 0.00 H new ATOM 705 N PRO A 59 -13.544 -7.643 5.465 1.00 0.00 N ATOM 706 CA PRO A 59 -14.529 -8.208 6.393 1.00 0.00 C ATOM 707 C PRO A 59 -15.695 -8.907 5.695 1.00 0.00 C ATOM 708 O PRO A 59 -15.912 -10.105 5.878 1.00 0.00 O ATOM 709 CB PRO A 59 -15.045 -6.990 7.158 1.00 0.00 C ATOM 710 CG PRO A 59 -14.052 -5.893 6.960 1.00 0.00 C ATOM 711 CD PRO A 59 -13.054 -6.339 5.928 1.00 0.00 C ATOM 0 HA PRO A 59 -14.074 -8.977 7.018 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -16.027 -6.692 6.790 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -15.158 -7.220 8.217 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -14.553 -4.982 6.634 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -13.549 -5.662 7.899 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -12.991 -5.626 5.106 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -12.055 -6.422 6.355 1.00 0.00 H new ATOM 719 N ASN A 60 -16.441 -8.155 4.896 1.00 0.00 N ATOM 720 CA ASN A 60 -17.549 -8.719 4.131 1.00 0.00 C ATOM 721 C ASN A 60 -17.193 -8.759 2.653 1.00 0.00 C ATOM 722 O ASN A 60 -18.010 -8.425 1.792 1.00 0.00 O ATOM 723 CB ASN A 60 -18.828 -7.899 4.332 1.00 0.00 C ATOM 724 CG ASN A 60 -19.336 -7.922 5.761 1.00 0.00 C ATOM 725 OD1 ASN A 60 -20.120 -8.792 6.140 1.00 0.00 O ATOM 726 ND2 ASN A 60 -18.912 -6.951 6.556 1.00 0.00 N ATOM 0 H ASN A 60 -16.300 -7.154 4.760 1.00 0.00 H new ATOM 0 HA ASN A 60 -17.729 -9.733 4.490 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -18.640 -6.867 4.037 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -19.605 -8.283 3.671 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -19.236 -6.905 7.522 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -18.262 -6.249 6.202 1.00 0.00 H new ATOM 733 N GLY A 61 -15.960 -9.153 2.364 1.00 0.00 N ATOM 734 CA GLY A 61 -15.484 -9.153 0.997 1.00 0.00 C ATOM 735 C GLY A 61 -15.181 -7.751 0.516 1.00 0.00 C ATOM 736 O GLY A 61 -15.113 -7.494 -0.686 1.00 0.00 O ATOM 0 H GLY A 61 -15.281 -9.473 3.054 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -14.586 -9.766 0.923 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -16.234 -9.607 0.349 1.00 0.00 H new ATOM 740 N ALA A 62 -14.999 -6.845 1.468 1.00 0.00 N ATOM 741 CA ALA A 62 -14.736 -5.444 1.171 1.00 0.00 C ATOM 742 C ALA A 62 -13.359 -5.260 0.553 1.00 0.00 C ATOM 743 O ALA A 62 -12.560 -6.195 0.496 1.00 0.00 O ATOM 744 CB ALA A 62 -14.864 -4.610 2.437 1.00 0.00 C ATOM 0 H ALA A 62 -15.029 -7.060 2.465 1.00 0.00 H new ATOM 0 HA ALA A 62 -15.475 -5.106 0.445 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -14.666 -3.564 2.205 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -15.873 -4.708 2.837 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -14.145 -4.960 3.178 1.00 0.00 H new ATOM 750 N GLU A 63 -13.090 -4.058 0.087 1.00 0.00 N ATOM 751 CA GLU A 63 -11.833 -3.751 -0.531 1.00 0.00 C ATOM 752 C GLU A 63 -11.267 -2.470 0.066 1.00 0.00 C ATOM 753 O GLU A 63 -11.990 -1.492 0.264 1.00 0.00 O ATOM 754 CB GLU A 63 -12.036 -3.612 -2.035 1.00 0.00 C ATOM 755 CG GLU A 63 -10.816 -3.098 -2.756 1.00 0.00 C ATOM 756 CD GLU A 63 -11.052 -2.904 -4.238 1.00 0.00 C ATOM 757 OE1 GLU A 63 -11.015 -3.902 -4.991 1.00 0.00 O ATOM 758 OE2 GLU A 63 -11.270 -1.750 -4.659 1.00 0.00 O ATOM 0 H GLU A 63 -13.740 -3.273 0.130 1.00 0.00 H new ATOM 0 HA GLU A 63 -11.120 -4.554 -0.348 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -12.312 -4.582 -2.449 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -12.871 -2.937 -2.221 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -10.510 -2.150 -2.314 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -9.992 -3.797 -2.612 1.00 0.00 H new ATOM 765 N GLY A 64 -9.982 -2.491 0.372 1.00 0.00 N ATOM 766 CA GLY A 64 -9.337 -1.338 0.952 1.00 0.00 C ATOM 767 C GLY A 64 -8.144 -0.902 0.134 1.00 0.00 C ATOM 768 O GLY A 64 -7.535 -1.712 -0.564 1.00 0.00 O ATOM 0 H GLY A 64 -9.370 -3.294 0.227 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -10.051 -0.517 1.022 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -9.018 -1.571 1.968 1.00 0.00 H new ATOM 772 N TYR A 65 -7.807 0.369 0.214 1.00 0.00 N ATOM 773 CA TYR A 65 -6.688 0.899 -0.540 1.00 0.00 C ATOM 774 C TYR A 65 -5.915 1.914 0.290 1.00 0.00 C ATOM 775 O TYR A 65 -6.461 2.937 0.703 1.00 0.00 O ATOM 776 CB TYR A 65 -7.183 1.537 -1.841 1.00 0.00 C ATOM 777 CG TYR A 65 -6.088 2.188 -2.652 1.00 0.00 C ATOM 778 CD1 TYR A 65 -5.005 1.451 -3.106 1.00 0.00 C ATOM 779 CD2 TYR A 65 -6.131 3.544 -2.952 1.00 0.00 C ATOM 780 CE1 TYR A 65 -3.995 2.041 -3.834 1.00 0.00 C ATOM 781 CE2 TYR A 65 -5.125 4.143 -3.682 1.00 0.00 C ATOM 782 CZ TYR A 65 -4.058 3.389 -4.120 1.00 0.00 C ATOM 783 OH TYR A 65 -3.055 3.984 -4.847 1.00 0.00 O ATOM 0 H TYR A 65 -8.292 1.055 0.793 1.00 0.00 H new ATOM 0 HA TYR A 65 -6.016 0.077 -0.787 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -7.668 0.773 -2.449 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -7.941 2.284 -1.604 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -4.952 0.395 -2.885 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -6.965 4.138 -2.608 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -3.158 1.451 -4.179 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -5.174 5.198 -3.909 1.00 0.00 H new ATOM 0 HH TYR A 65 -3.254 4.937 -4.960 1.00 0.00 H new ATOM 793 N TRP A 66 -4.645 1.626 0.529 1.00 0.00 N ATOM 794 CA TRP A 66 -3.787 2.530 1.283 1.00 0.00 C ATOM 795 C TRP A 66 -2.583 2.908 0.439 1.00 0.00 C ATOM 796 O TRP A 66 -2.082 2.102 -0.345 1.00 0.00 O ATOM 797 CB TRP A 66 -3.297 1.915 2.604 1.00 0.00 C ATOM 798 CG TRP A 66 -4.370 1.562 3.593 1.00 0.00 C ATOM 799 CD1 TRP A 66 -4.717 2.268 4.710 1.00 0.00 C ATOM 800 CD2 TRP A 66 -5.215 0.403 3.576 1.00 0.00 C ATOM 801 NE1 TRP A 66 -5.722 1.622 5.385 1.00 0.00 N ATOM 802 CE2 TRP A 66 -6.045 0.475 4.709 1.00 0.00 C ATOM 803 CE3 TRP A 66 -5.351 -0.686 2.713 1.00 0.00 C ATOM 804 CZ2 TRP A 66 -6.994 -0.499 5.000 1.00 0.00 C ATOM 805 CZ3 TRP A 66 -6.296 -1.650 3.002 1.00 0.00 C ATOM 806 CH2 TRP A 66 -7.106 -1.552 4.137 1.00 0.00 C ATOM 0 H TRP A 66 -4.184 0.773 0.212 1.00 0.00 H new ATOM 0 HA TRP A 66 -4.383 3.409 1.527 1.00 0.00 H new ATOM 0 HB2 TRP A 66 -2.728 1.014 2.375 1.00 0.00 H new ATOM 0 HB3 TRP A 66 -2.608 2.615 3.077 1.00 0.00 H new ATOM 0 HD1 TRP A 66 -4.266 3.200 5.017 1.00 0.00 H new ATOM 0 HE1 TRP A 66 -6.158 1.943 6.249 1.00 0.00 H new ATOM 0 HE3 TRP A 66 -4.728 -0.773 1.835 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 -7.620 -0.426 5.877 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 -6.412 -2.495 2.339 1.00 0.00 H new ATOM 0 HH2 TRP A 66 -7.835 -2.324 4.336 1.00 0.00 H new ATOM 817 N VAL A 67 -2.138 4.135 0.594 1.00 0.00 N ATOM 818 CA VAL A 67 -0.964 4.617 -0.100 1.00 0.00 C ATOM 819 C VAL A 67 0.173 4.829 0.885 1.00 0.00 C ATOM 820 O VAL A 67 0.080 5.668 1.779 1.00 0.00 O ATOM 821 CB VAL A 67 -1.254 5.938 -0.847 1.00 0.00 C ATOM 822 CG1 VAL A 67 0.035 6.608 -1.290 1.00 0.00 C ATOM 823 CG2 VAL A 67 -2.156 5.695 -2.046 1.00 0.00 C ATOM 0 H VAL A 67 -2.578 4.825 1.203 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.678 3.864 -0.834 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.768 6.604 -0.154 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -0.198 7.535 -1.813 1.00 0.00 H new ATOM 0 HG12 VAL A 67 0.649 6.828 -0.417 1.00 0.00 H new ATOM 0 HG13 VAL A 67 0.580 5.942 -1.958 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -2.346 6.640 -2.556 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -1.669 5.003 -2.733 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -3.101 5.268 -1.710 1.00 0.00 H new ATOM 833 N ILE A 68 1.230 4.050 0.730 1.00 0.00 N ATOM 834 CA ILE A 68 2.414 4.204 1.553 1.00 0.00 C ATOM 835 C ILE A 68 3.341 5.200 0.876 1.00 0.00 C ATOM 836 O ILE A 68 4.062 4.863 -0.064 1.00 0.00 O ATOM 837 CB ILE A 68 3.182 2.874 1.769 1.00 0.00 C ATOM 838 CG1 ILE A 68 2.268 1.760 2.292 1.00 0.00 C ATOM 839 CG2 ILE A 68 4.344 3.087 2.731 1.00 0.00 C ATOM 840 CD1 ILE A 68 1.456 1.077 1.214 1.00 0.00 C ATOM 0 H ILE A 68 1.291 3.302 0.039 1.00 0.00 H new ATOM 0 HA ILE A 68 2.090 4.550 2.534 1.00 0.00 H new ATOM 0 HB ILE A 68 3.565 2.559 0.798 1.00 0.00 H new ATOM 0 HG12 ILE A 68 2.877 1.014 2.802 1.00 0.00 H new ATOM 0 HG13 ILE A 68 1.589 2.179 3.034 1.00 0.00 H new ATOM 0 HG21 ILE A 68 4.875 2.146 2.874 1.00 0.00 H new ATOM 0 HG22 ILE A 68 5.027 3.830 2.318 1.00 0.00 H new ATOM 0 HG23 ILE A 68 3.963 3.438 3.690 1.00 0.00 H new ATOM 0 HD11 ILE A 68 0.835 0.302 1.663 1.00 0.00 H new ATOM 0 HD12 ILE A 68 0.820 1.810 0.718 1.00 0.00 H new ATOM 0 HD13 ILE A 68 2.128 0.626 0.483 1.00 0.00 H new ATOM 852 N ASN A 69 3.301 6.431 1.338 1.00 0.00 N ATOM 853 CA ASN A 69 4.075 7.488 0.726 1.00 0.00 C ATOM 854 C ASN A 69 5.438 7.586 1.391 1.00 0.00 C ATOM 855 O ASN A 69 5.589 8.172 2.467 1.00 0.00 O ATOM 856 CB ASN A 69 3.327 8.820 0.824 1.00 0.00 C ATOM 857 CG ASN A 69 3.938 9.902 -0.045 1.00 0.00 C ATOM 858 OD1 ASN A 69 5.147 9.932 -0.280 1.00 0.00 O ATOM 859 ND2 ASN A 69 3.100 10.799 -0.531 1.00 0.00 N ATOM 0 H ASN A 69 2.739 6.725 2.137 1.00 0.00 H new ATOM 0 HA ASN A 69 4.220 7.256 -0.329 1.00 0.00 H new ATOM 0 HB2 ASN A 69 2.287 8.670 0.532 1.00 0.00 H new ATOM 0 HB3 ASN A 69 3.322 9.153 1.862 1.00 0.00 H new ATOM 0 HD21 ASN A 69 3.447 11.552 -1.125 1.00 0.00 H new ATOM 0 HD22 ASN A 69 2.105 10.739 -0.313 1.00 0.00 H new ATOM 866 N ALA A 70 6.422 6.989 0.749 1.00 0.00 N ATOM 867 CA ALA A 70 7.795 7.069 1.203 1.00 0.00 C ATOM 868 C ALA A 70 8.606 7.903 0.228 1.00 0.00 C ATOM 869 O ALA A 70 9.834 7.882 0.246 1.00 0.00 O ATOM 870 CB ALA A 70 8.387 5.680 1.335 1.00 0.00 C ATOM 0 H ALA A 70 6.293 6.437 -0.099 1.00 0.00 H new ATOM 0 HA ALA A 70 7.821 7.545 2.183 1.00 0.00 H new ATOM 0 HB1 ALA A 70 9.419 5.755 1.677 1.00 0.00 H new ATOM 0 HB2 ALA A 70 7.807 5.104 2.056 1.00 0.00 H new ATOM 0 HB3 ALA A 70 8.361 5.180 0.367 1.00 0.00 H new ATOM 876 N LYS A 71 7.894 8.641 -0.618 1.00 0.00 N ATOM 877 CA LYS A 71 8.510 9.462 -1.651 1.00 0.00 C ATOM 878 C LYS A 71 9.504 10.443 -1.040 1.00 0.00 C ATOM 879 O LYS A 71 10.653 10.535 -1.468 1.00 0.00 O ATOM 880 CB LYS A 71 7.429 10.234 -2.402 1.00 0.00 C ATOM 881 CG LYS A 71 7.931 10.977 -3.607 1.00 0.00 C ATOM 882 CD LYS A 71 6.973 12.084 -3.980 1.00 0.00 C ATOM 883 CE LYS A 71 7.553 12.954 -5.063 1.00 0.00 C ATOM 884 NZ LYS A 71 8.848 13.559 -4.654 1.00 0.00 N ATOM 0 H LYS A 71 6.875 8.686 -0.606 1.00 0.00 H new ATOM 0 HA LYS A 71 9.045 8.809 -2.340 1.00 0.00 H new ATOM 0 HB2 LYS A 71 6.652 9.537 -2.716 1.00 0.00 H new ATOM 0 HB3 LYS A 71 6.963 10.944 -1.719 1.00 0.00 H new ATOM 0 HG2 LYS A 71 8.916 11.395 -3.400 1.00 0.00 H new ATOM 0 HG3 LYS A 71 8.046 10.289 -4.445 1.00 0.00 H new ATOM 0 HD2 LYS A 71 6.030 11.655 -4.318 1.00 0.00 H new ATOM 0 HD3 LYS A 71 6.751 12.690 -3.101 1.00 0.00 H new ATOM 0 HE2 LYS A 71 7.698 12.361 -5.966 1.00 0.00 H new ATOM 0 HE3 LYS A 71 6.845 13.745 -5.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 8.991 14.453 -5.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 8.837 13.744 -3.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 9.624 12.904 -4.879 1.00 0.00 H new ATOM 898 N GLU A 72 9.052 11.157 -0.022 1.00 0.00 N ATOM 899 CA GLU A 72 9.885 12.138 0.658 1.00 0.00 C ATOM 900 C GLU A 72 10.715 11.474 1.752 1.00 0.00 C ATOM 901 O GLU A 72 11.487 12.126 2.452 1.00 0.00 O ATOM 902 CB GLU A 72 9.009 13.234 1.252 1.00 0.00 C ATOM 903 CG GLU A 72 8.176 13.974 0.214 1.00 0.00 C ATOM 904 CD GLU A 72 9.023 14.698 -0.815 1.00 0.00 C ATOM 905 OE1 GLU A 72 9.851 15.543 -0.417 1.00 0.00 O ATOM 906 OE2 GLU A 72 8.871 14.426 -2.027 1.00 0.00 O ATOM 0 H GLU A 72 8.107 11.075 0.354 1.00 0.00 H new ATOM 0 HA GLU A 72 10.568 12.580 -0.067 1.00 0.00 H new ATOM 0 HB2 GLU A 72 8.343 12.794 1.994 1.00 0.00 H new ATOM 0 HB3 GLU A 72 9.642 13.950 1.776 1.00 0.00 H new ATOM 0 HG2 GLU A 72 7.524 13.264 -0.294 1.00 0.00 H new ATOM 0 HG3 GLU A 72 7.532 14.694 0.719 1.00 0.00 H new ATOM 913 N GLY A 73 10.544 10.169 1.888 1.00 0.00 N ATOM 914 CA GLY A 73 11.286 9.416 2.883 1.00 0.00 C ATOM 915 C GLY A 73 10.520 9.260 4.179 1.00 0.00 C ATOM 916 O GLY A 73 11.081 8.850 5.194 1.00 0.00 O ATOM 0 H GLY A 73 9.901 9.612 1.325 1.00 0.00 H new ATOM 0 HA2 GLY A 73 11.525 8.430 2.485 1.00 0.00 H new ATOM 0 HA3 GLY A 73 12.233 9.917 3.082 1.00 0.00 H new ATOM 920 N LYS A 74 9.238 9.592 4.145 1.00 0.00 N ATOM 921 CA LYS A 74 8.393 9.515 5.330 1.00 0.00 C ATOM 922 C LYS A 74 8.005 8.073 5.639 1.00 0.00 C ATOM 923 O LYS A 74 8.371 7.539 6.684 1.00 0.00 O ATOM 924 CB LYS A 74 7.142 10.374 5.139 1.00 0.00 C ATOM 925 CG LYS A 74 7.446 11.850 4.920 1.00 0.00 C ATOM 926 CD LYS A 74 8.109 12.482 6.137 1.00 0.00 C ATOM 927 CE LYS A 74 7.151 12.569 7.314 1.00 0.00 C ATOM 928 NZ LYS A 74 7.786 13.179 8.509 1.00 0.00 N ATOM 0 H LYS A 74 8.758 9.919 3.307 1.00 0.00 H new ATOM 0 HA LYS A 74 8.961 9.897 6.178 1.00 0.00 H new ATOM 0 HB2 LYS A 74 6.579 9.997 4.285 1.00 0.00 H new ATOM 0 HB3 LYS A 74 6.502 10.269 6.015 1.00 0.00 H new ATOM 0 HG2 LYS A 74 8.098 11.961 4.053 1.00 0.00 H new ATOM 0 HG3 LYS A 74 6.521 12.381 4.694 1.00 0.00 H new ATOM 0 HD2 LYS A 74 8.983 11.896 6.421 1.00 0.00 H new ATOM 0 HD3 LYS A 74 8.464 13.480 5.881 1.00 0.00 H new ATOM 0 HE2 LYS A 74 6.279 13.157 7.028 1.00 0.00 H new ATOM 0 HE3 LYS A 74 6.794 11.570 7.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 7.097 13.218 9.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 8.603 12.605 8.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 8.104 14.142 8.280 1.00 0.00 H new ATOM 942 N GLY A 75 7.268 7.443 4.735 1.00 0.00 N ATOM 943 CA GLY A 75 6.853 6.074 4.966 1.00 0.00 C ATOM 944 C GLY A 75 5.502 5.996 5.648 1.00 0.00 C ATOM 945 O GLY A 75 5.261 5.101 6.454 1.00 0.00 O ATOM 0 H GLY A 75 6.953 7.850 3.854 1.00 0.00 H new ATOM 0 HA2 GLY A 75 6.810 5.543 4.015 1.00 0.00 H new ATOM 0 HA3 GLY A 75 7.598 5.568 5.580 1.00 0.00 H new ATOM 949 N LYS A 76 4.622 6.938 5.328 1.00 0.00 N ATOM 950 CA LYS A 76 3.300 6.989 5.942 1.00 0.00 C ATOM 951 C LYS A 76 2.268 6.345 5.026 1.00 0.00 C ATOM 952 O LYS A 76 2.350 6.487 3.808 1.00 0.00 O ATOM 953 CB LYS A 76 2.883 8.432 6.227 1.00 0.00 C ATOM 954 CG LYS A 76 2.932 9.328 5.005 1.00 0.00 C ATOM 955 CD LYS A 76 2.023 10.538 5.165 1.00 0.00 C ATOM 956 CE LYS A 76 2.099 11.471 3.964 1.00 0.00 C ATOM 957 NZ LYS A 76 3.379 12.226 3.910 1.00 0.00 N ATOM 0 H LYS A 76 4.800 7.677 4.647 1.00 0.00 H new ATOM 0 HA LYS A 76 3.350 6.442 6.883 1.00 0.00 H new ATOM 0 HB2 LYS A 76 1.870 8.436 6.631 1.00 0.00 H new ATOM 0 HB3 LYS A 76 3.535 8.845 6.997 1.00 0.00 H new ATOM 0 HG2 LYS A 76 3.956 9.661 4.837 1.00 0.00 H new ATOM 0 HG3 LYS A 76 2.633 8.760 4.124 1.00 0.00 H new ATOM 0 HD2 LYS A 76 0.994 10.203 5.300 1.00 0.00 H new ATOM 0 HD3 LYS A 76 2.301 11.084 6.066 1.00 0.00 H new ATOM 0 HE2 LYS A 76 1.985 10.890 3.049 1.00 0.00 H new ATOM 0 HE3 LYS A 76 1.267 12.174 4.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 3.367 12.871 3.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 3.495 12.776 4.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 4.171 11.559 3.813 1.00 0.00 H new ATOM 971 N VAL A 77 1.295 5.645 5.598 1.00 0.00 N ATOM 972 CA VAL A 77 0.260 5.026 4.789 1.00 0.00 C ATOM 973 C VAL A 77 -1.070 5.748 5.007 1.00 0.00 C ATOM 974 O VAL A 77 -1.463 6.041 6.138 1.00 0.00 O ATOM 975 CB VAL A 77 0.127 3.493 5.044 1.00 0.00 C ATOM 976 CG1 VAL A 77 1.459 2.892 5.464 1.00 0.00 C ATOM 977 CG2 VAL A 77 -0.948 3.150 6.061 1.00 0.00 C ATOM 0 H VAL A 77 1.204 5.495 6.603 1.00 0.00 H new ATOM 0 HA VAL A 77 0.553 5.128 3.744 1.00 0.00 H new ATOM 0 HB VAL A 77 -0.181 3.054 4.095 1.00 0.00 H new ATOM 0 HG11 VAL A 77 1.338 1.822 5.635 1.00 0.00 H new ATOM 0 HG12 VAL A 77 2.195 3.052 4.676 1.00 0.00 H new ATOM 0 HG13 VAL A 77 1.801 3.370 6.382 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -0.991 2.069 6.194 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -0.712 3.624 7.014 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.913 3.511 5.706 1.00 0.00 H new ATOM 987 N THR A 78 -1.730 6.076 3.912 1.00 0.00 N ATOM 988 CA THR A 78 -2.969 6.830 3.961 1.00 0.00 C ATOM 989 C THR A 78 -4.037 6.160 3.099 1.00 0.00 C ATOM 990 O THR A 78 -3.769 5.754 1.967 1.00 0.00 O ATOM 991 CB THR A 78 -2.733 8.291 3.498 1.00 0.00 C ATOM 992 OG1 THR A 78 -3.972 9.012 3.433 1.00 0.00 O ATOM 993 CG2 THR A 78 -2.036 8.337 2.143 1.00 0.00 C ATOM 0 H THR A 78 -1.426 5.830 2.970 1.00 0.00 H new ATOM 0 HA THR A 78 -3.322 6.848 4.992 1.00 0.00 H new ATOM 0 HB THR A 78 -2.085 8.766 4.235 1.00 0.00 H new ATOM 0 HG1 THR A 78 -3.800 9.932 3.141 1.00 0.00 H new ATOM 0 HG21 THR A 78 -1.885 9.375 1.847 1.00 0.00 H new ATOM 0 HG22 THR A 78 -1.071 7.836 2.213 1.00 0.00 H new ATOM 0 HG23 THR A 78 -2.653 7.833 1.399 1.00 0.00 H new ATOM 1001 N TYR A 79 -5.239 6.024 3.646 1.00 0.00 N ATOM 1002 CA TYR A 79 -6.329 5.373 2.932 1.00 0.00 C ATOM 1003 C TYR A 79 -6.770 6.237 1.758 1.00 0.00 C ATOM 1004 O TYR A 79 -7.196 7.379 1.947 1.00 0.00 O ATOM 1005 CB TYR A 79 -7.511 5.106 3.871 1.00 0.00 C ATOM 1006 CG TYR A 79 -8.549 4.164 3.298 1.00 0.00 C ATOM 1007 CD1 TYR A 79 -8.411 2.789 3.438 1.00 0.00 C ATOM 1008 CD2 TYR A 79 -9.662 4.644 2.617 1.00 0.00 C ATOM 1009 CE1 TYR A 79 -9.348 1.918 2.920 1.00 0.00 C ATOM 1010 CE2 TYR A 79 -10.606 3.777 2.094 1.00 0.00 C ATOM 1011 CZ TYR A 79 -10.443 2.416 2.249 1.00 0.00 C ATOM 1012 OH TYR A 79 -11.377 1.548 1.729 1.00 0.00 O ATOM 0 H TYR A 79 -5.483 6.355 4.579 1.00 0.00 H new ATOM 0 HA TYR A 79 -5.973 4.415 2.554 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -7.134 4.690 4.805 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -7.990 6.054 4.115 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -7.554 2.394 3.962 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -9.792 5.709 2.494 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -9.223 0.852 3.040 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -11.466 4.164 1.567 1.00 0.00 H new ATOM 0 HH TYR A 79 -12.088 2.058 1.287 1.00 0.00 H new ATOM 1022 N ASN A 80 -6.661 5.677 0.555 1.00 0.00 N ATOM 1023 CA ASN A 80 -6.941 6.403 -0.682 1.00 0.00 C ATOM 1024 C ASN A 80 -6.122 7.693 -0.725 1.00 0.00 C ATOM 1025 O ASN A 80 -6.655 8.796 -0.597 1.00 0.00 O ATOM 1026 CB ASN A 80 -8.442 6.701 -0.816 1.00 0.00 C ATOM 1027 CG ASN A 80 -8.822 7.149 -2.215 1.00 0.00 C ATOM 1028 OD1 ASN A 80 -8.783 8.335 -2.533 1.00 0.00 O ATOM 1029 ND2 ASN A 80 -9.208 6.200 -3.057 1.00 0.00 N ATOM 0 H ASN A 80 -6.376 4.708 0.410 1.00 0.00 H new ATOM 0 HA ASN A 80 -6.652 5.778 -1.527 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -9.011 5.808 -0.557 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -8.721 7.476 -0.102 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -9.486 6.444 -4.007 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -9.226 5.226 -2.754 1.00 0.00 H new ATOM 1036 N GLY A 81 -4.815 7.532 -0.896 1.00 0.00 N ATOM 1037 CA GLY A 81 -3.897 8.654 -0.822 1.00 0.00 C ATOM 1038 C GLY A 81 -4.097 9.680 -1.921 1.00 0.00 C ATOM 1039 O GLY A 81 -3.899 10.874 -1.700 1.00 0.00 O ATOM 0 H GLY A 81 -4.371 6.634 -1.087 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -4.013 9.143 0.145 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -2.875 8.279 -0.869 1.00 0.00 H new ATOM 1043 N GLY A 82 -4.469 9.220 -3.106 1.00 0.00 N ATOM 1044 CA GLY A 82 -4.645 10.121 -4.231 1.00 0.00 C ATOM 1045 C GLY A 82 -3.348 10.349 -4.984 1.00 0.00 C ATOM 1046 O GLY A 82 -3.347 10.856 -6.106 1.00 0.00 O ATOM 0 H GLY A 82 -4.653 8.238 -3.311 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -5.392 9.711 -4.911 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -5.030 11.076 -3.874 1.00 0.00 H new ATOM 1050 N GLU A 83 -2.243 9.974 -4.354 1.00 0.00 N ATOM 1051 CA GLU A 83 -0.927 10.080 -4.967 1.00 0.00 C ATOM 1052 C GLU A 83 -0.755 9.016 -6.037 1.00 0.00 C ATOM 1053 O GLU A 83 -1.534 8.063 -6.111 1.00 0.00 O ATOM 1054 CB GLU A 83 0.167 9.917 -3.910 1.00 0.00 C ATOM 1055 CG GLU A 83 0.251 11.073 -2.932 1.00 0.00 C ATOM 1056 CD GLU A 83 0.549 12.387 -3.621 1.00 0.00 C ATOM 1057 OE1 GLU A 83 1.683 12.559 -4.120 1.00 0.00 O ATOM 1058 OE2 GLU A 83 -0.347 13.252 -3.666 1.00 0.00 O ATOM 0 H GLU A 83 -2.233 9.590 -3.409 1.00 0.00 H new ATOM 0 HA GLU A 83 -0.842 11.066 -5.424 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -0.012 8.996 -3.355 1.00 0.00 H new ATOM 0 HB3 GLU A 83 1.129 9.806 -4.410 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -0.690 11.155 -2.389 1.00 0.00 H new ATOM 0 HG3 GLU A 83 1.028 10.867 -2.195 1.00 0.00 H new ATOM 1065 N LYS A 84 0.263 9.180 -6.863 1.00 0.00 N ATOM 1066 CA LYS A 84 0.568 8.201 -7.887 1.00 0.00 C ATOM 1067 C LYS A 84 1.716 7.318 -7.411 1.00 0.00 C ATOM 1068 O LYS A 84 2.866 7.755 -7.356 1.00 0.00 O ATOM 1069 CB LYS A 84 0.927 8.890 -9.210 1.00 0.00 C ATOM 1070 CG LYS A 84 -0.229 9.632 -9.862 1.00 0.00 C ATOM 1071 CD LYS A 84 -0.514 10.948 -9.158 1.00 0.00 C ATOM 1072 CE LYS A 84 -1.710 11.655 -9.746 1.00 0.00 C ATOM 1073 NZ LYS A 84 -1.452 12.170 -11.117 1.00 0.00 N ATOM 0 H LYS A 84 0.892 9.983 -6.843 1.00 0.00 H new ATOM 0 HA LYS A 84 -0.312 7.583 -8.064 1.00 0.00 H new ATOM 0 HB2 LYS A 84 1.740 9.593 -9.031 1.00 0.00 H new ATOM 0 HB3 LYS A 84 1.302 8.140 -9.907 1.00 0.00 H new ATOM 0 HG2 LYS A 84 0.004 9.822 -10.910 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -1.122 9.007 -9.842 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -0.687 10.762 -8.098 1.00 0.00 H new ATOM 0 HD3 LYS A 84 0.361 11.594 -9.229 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -2.556 10.969 -9.773 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -1.993 12.484 -9.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -2.286 12.691 -11.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -0.630 12.807 -11.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -1.259 11.373 -11.757 1.00 0.00 H new ATOM 1087 N PRO A 85 1.413 6.066 -7.049 1.00 0.00 N ATOM 1088 CA PRO A 85 2.409 5.132 -6.527 1.00 0.00 C ATOM 1089 C PRO A 85 3.422 4.693 -7.577 1.00 0.00 C ATOM 1090 O PRO A 85 3.077 4.447 -8.736 1.00 0.00 O ATOM 1091 CB PRO A 85 1.579 3.928 -6.063 1.00 0.00 C ATOM 1092 CG PRO A 85 0.163 4.391 -6.047 1.00 0.00 C ATOM 1093 CD PRO A 85 0.070 5.469 -7.080 1.00 0.00 C ATOM 0 HA PRO A 85 3.001 5.593 -5.737 1.00 0.00 H new ATOM 0 HB2 PRO A 85 1.706 3.082 -6.739 1.00 0.00 H new ATOM 0 HB3 PRO A 85 1.893 3.595 -5.074 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -0.518 3.571 -6.276 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -0.113 4.769 -5.063 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -0.171 5.067 -8.064 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -0.703 6.198 -6.836 1.00 0.00 H new ATOM 1101 N ASP A 86 4.679 4.601 -7.151 1.00 0.00 N ATOM 1102 CA ASP A 86 5.745 4.064 -7.989 1.00 0.00 C ATOM 1103 C ASP A 86 5.507 2.583 -8.228 1.00 0.00 C ATOM 1104 O ASP A 86 5.865 2.047 -9.276 1.00 0.00 O ATOM 1105 CB ASP A 86 7.122 4.282 -7.344 1.00 0.00 C ATOM 1106 CG ASP A 86 7.514 5.743 -7.293 1.00 0.00 C ATOM 1107 OD1 ASP A 86 7.824 6.311 -8.357 1.00 0.00 O ATOM 1108 OD2 ASP A 86 7.520 6.325 -6.187 1.00 0.00 O ATOM 0 H ASP A 86 4.985 4.894 -6.223 1.00 0.00 H new ATOM 0 HA ASP A 86 5.735 4.593 -8.942 1.00 0.00 H new ATOM 0 HB2 ASP A 86 7.114 3.876 -6.333 1.00 0.00 H new ATOM 0 HB3 ASP A 86 7.874 3.727 -7.905 1.00 0.00 H new ATOM 1113 N VAL A 87 4.896 1.931 -7.245 1.00 0.00 N ATOM 1114 CA VAL A 87 4.451 0.550 -7.385 1.00 0.00 C ATOM 1115 C VAL A 87 3.094 0.359 -6.730 1.00 0.00 C ATOM 1116 O VAL A 87 2.759 1.042 -5.765 1.00 0.00 O ATOM 1117 CB VAL A 87 5.437 -0.469 -6.767 1.00 0.00 C ATOM 1118 CG1 VAL A 87 6.658 -0.660 -7.644 1.00 0.00 C ATOM 1119 CG2 VAL A 87 5.841 -0.059 -5.362 1.00 0.00 C ATOM 0 H VAL A 87 4.696 2.343 -6.333 1.00 0.00 H new ATOM 0 HA VAL A 87 4.394 0.362 -8.457 1.00 0.00 H new ATOM 0 HB VAL A 87 4.919 -1.426 -6.704 1.00 0.00 H new ATOM 0 HG11 VAL A 87 7.330 -1.382 -7.180 1.00 0.00 H new ATOM 0 HG12 VAL A 87 6.349 -1.028 -8.622 1.00 0.00 H new ATOM 0 HG13 VAL A 87 7.174 0.293 -7.761 1.00 0.00 H new ATOM 0 HG21 VAL A 87 6.534 -0.794 -4.954 1.00 0.00 H new ATOM 0 HG22 VAL A 87 6.324 0.918 -5.393 1.00 0.00 H new ATOM 0 HG23 VAL A 87 4.955 -0.005 -4.730 1.00 0.00 H new ATOM 1129 N THR A 88 2.310 -0.554 -7.268 1.00 0.00 N ATOM 1130 CA THR A 88 1.026 -0.895 -6.686 1.00 0.00 C ATOM 1131 C THR A 88 0.857 -2.405 -6.659 1.00 0.00 C ATOM 1132 O THR A 88 1.059 -3.073 -7.672 1.00 0.00 O ATOM 1133 CB THR A 88 -0.134 -0.253 -7.471 1.00 0.00 C ATOM 1134 OG1 THR A 88 0.065 1.166 -7.546 1.00 0.00 O ATOM 1135 CG2 THR A 88 -1.477 -0.545 -6.812 1.00 0.00 C ATOM 0 H THR A 88 2.541 -1.076 -8.113 1.00 0.00 H new ATOM 0 HA THR A 88 1.002 -0.505 -5.668 1.00 0.00 H new ATOM 0 HB THR A 88 -0.146 -0.682 -8.473 1.00 0.00 H new ATOM 0 HG1 THR A 88 -0.672 1.574 -8.047 1.00 0.00 H new ATOM 0 HG21 THR A 88 -2.275 -0.078 -7.390 1.00 0.00 H new ATOM 0 HG22 THR A 88 -1.638 -1.622 -6.776 1.00 0.00 H new ATOM 0 HG23 THR A 88 -1.480 -0.143 -5.799 1.00 0.00 H new ATOM 1143 N PHE A 89 0.519 -2.935 -5.494 1.00 0.00 N ATOM 1144 CA PHE A 89 0.324 -4.365 -5.333 1.00 0.00 C ATOM 1145 C PHE A 89 -1.137 -4.656 -5.032 1.00 0.00 C ATOM 1146 O PHE A 89 -1.713 -4.079 -4.108 1.00 0.00 O ATOM 1147 CB PHE A 89 1.193 -4.918 -4.194 1.00 0.00 C ATOM 1148 CG PHE A 89 2.661 -4.612 -4.322 1.00 0.00 C ATOM 1149 CD1 PHE A 89 3.188 -3.442 -3.798 1.00 0.00 C ATOM 1150 CD2 PHE A 89 3.514 -5.499 -4.958 1.00 0.00 C ATOM 1151 CE1 PHE A 89 4.535 -3.162 -3.909 1.00 0.00 C ATOM 1152 CE2 PHE A 89 4.863 -5.223 -5.072 1.00 0.00 C ATOM 1153 CZ PHE A 89 5.374 -4.054 -4.548 1.00 0.00 C ATOM 0 H PHE A 89 0.374 -2.392 -4.643 1.00 0.00 H new ATOM 0 HA PHE A 89 0.617 -4.851 -6.263 1.00 0.00 H new ATOM 0 HB2 PHE A 89 0.832 -4.513 -3.249 1.00 0.00 H new ATOM 0 HB3 PHE A 89 1.063 -5.999 -4.147 1.00 0.00 H new ATOM 0 HD1 PHE A 89 2.537 -2.741 -3.297 1.00 0.00 H new ATOM 0 HD2 PHE A 89 3.120 -6.417 -5.369 1.00 0.00 H new ATOM 0 HE1 PHE A 89 4.933 -2.246 -3.497 1.00 0.00 H new ATOM 0 HE2 PHE A 89 5.517 -5.922 -5.571 1.00 0.00 H new ATOM 0 HZ PHE A 89 6.428 -3.836 -4.637 1.00 0.00 H new ATOM 1163 N THR A 90 -1.741 -5.516 -5.830 1.00 0.00 N ATOM 1164 CA THR A 90 -3.085 -5.986 -5.555 1.00 0.00 C ATOM 1165 C THR A 90 -3.011 -7.348 -4.875 1.00 0.00 C ATOM 1166 O THR A 90 -2.433 -8.286 -5.423 1.00 0.00 O ATOM 1167 CB THR A 90 -3.917 -6.092 -6.844 1.00 0.00 C ATOM 1168 OG1 THR A 90 -3.678 -4.940 -7.667 1.00 0.00 O ATOM 1169 CG2 THR A 90 -5.402 -6.193 -6.525 1.00 0.00 C ATOM 0 H THR A 90 -1.321 -5.904 -6.675 1.00 0.00 H new ATOM 0 HA THR A 90 -3.575 -5.266 -4.899 1.00 0.00 H new ATOM 0 HB THR A 90 -3.616 -6.995 -7.376 1.00 0.00 H new ATOM 0 HG1 THR A 90 -4.207 -5.010 -8.489 1.00 0.00 H new ATOM 0 HG21 THR A 90 -5.969 -6.267 -7.453 1.00 0.00 H new ATOM 0 HG22 THR A 90 -5.584 -7.079 -5.917 1.00 0.00 H new ATOM 0 HG23 THR A 90 -5.718 -5.305 -5.977 1.00 0.00 H new ATOM 1177 N ILE A 91 -3.573 -7.433 -3.680 1.00 0.00 N ATOM 1178 CA ILE A 91 -3.496 -8.636 -2.861 1.00 0.00 C ATOM 1179 C ILE A 91 -4.668 -8.673 -1.899 1.00 0.00 C ATOM 1180 O ILE A 91 -5.244 -7.641 -1.567 1.00 0.00 O ATOM 1181 CB ILE A 91 -2.143 -8.689 -2.098 1.00 0.00 C ATOM 1182 CG1 ILE A 91 -1.233 -9.727 -2.740 1.00 0.00 C ATOM 1183 CG2 ILE A 91 -2.320 -8.999 -0.617 1.00 0.00 C ATOM 1184 CD1 ILE A 91 -1.671 -11.154 -2.480 1.00 0.00 C ATOM 0 H ILE A 91 -4.096 -6.671 -3.249 1.00 0.00 H new ATOM 0 HA ILE A 91 -3.547 -9.514 -3.505 1.00 0.00 H new ATOM 0 HB ILE A 91 -1.691 -7.700 -2.167 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -1.200 -9.555 -3.816 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -0.219 -9.592 -2.365 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -1.344 -9.024 -0.131 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -2.936 -8.227 -0.155 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -2.807 -9.968 -0.504 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -0.979 -11.841 -2.966 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -1.677 -11.343 -1.407 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -2.673 -11.306 -2.880 1.00 0.00 H new ATOM 1196 N SER A 92 -5.039 -9.862 -1.478 1.00 0.00 N ATOM 1197 CA SER A 92 -6.165 -10.023 -0.593 1.00 0.00 C ATOM 1198 C SER A 92 -5.710 -9.993 0.865 1.00 0.00 C ATOM 1199 O SER A 92 -4.672 -10.566 1.188 1.00 0.00 O ATOM 1200 CB SER A 92 -6.866 -11.333 -0.924 1.00 0.00 C ATOM 1201 OG SER A 92 -6.977 -11.483 -2.333 1.00 0.00 O ATOM 0 H SER A 92 -4.574 -10.732 -1.737 1.00 0.00 H new ATOM 0 HA SER A 92 -6.864 -9.199 -0.732 1.00 0.00 H new ATOM 0 HB2 SER A 92 -6.308 -12.170 -0.504 1.00 0.00 H new ATOM 0 HB3 SER A 92 -7.856 -11.350 -0.469 1.00 0.00 H new ATOM 0 HG SER A 92 -7.853 -11.862 -2.554 1.00 0.00 H new ATOM 1207 N ASP A 93 -6.465 -9.302 1.715 1.00 0.00 N ATOM 1208 CA ASP A 93 -6.124 -9.117 3.135 1.00 0.00 C ATOM 1209 C ASP A 93 -5.626 -10.411 3.762 1.00 0.00 C ATOM 1210 O ASP A 93 -4.559 -10.457 4.384 1.00 0.00 O ATOM 1211 CB ASP A 93 -7.368 -8.625 3.883 1.00 0.00 C ATOM 1212 CG ASP A 93 -7.146 -8.467 5.374 1.00 0.00 C ATOM 1213 OD1 ASP A 93 -6.528 -7.467 5.785 1.00 0.00 O ATOM 1214 OD2 ASP A 93 -7.619 -9.329 6.140 1.00 0.00 O ATOM 0 H ASP A 93 -7.337 -8.849 1.443 1.00 0.00 H new ATOM 0 HA ASP A 93 -5.322 -8.383 3.207 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -7.680 -7.668 3.465 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -8.185 -9.327 3.716 1.00 0.00 H new ATOM 1219 N GLU A 94 -6.405 -11.453 3.537 1.00 0.00 N ATOM 1220 CA GLU A 94 -6.133 -12.794 4.039 1.00 0.00 C ATOM 1221 C GLU A 94 -4.699 -13.237 3.729 1.00 0.00 C ATOM 1222 O GLU A 94 -4.044 -13.880 4.547 1.00 0.00 O ATOM 1223 CB GLU A 94 -7.118 -13.781 3.395 1.00 0.00 C ATOM 1224 CG GLU A 94 -8.492 -13.182 3.110 1.00 0.00 C ATOM 1225 CD GLU A 94 -9.470 -14.187 2.550 1.00 0.00 C ATOM 1226 OE1 GLU A 94 -9.219 -14.711 1.443 1.00 0.00 O ATOM 1227 OE2 GLU A 94 -10.510 -14.434 3.191 1.00 0.00 O ATOM 0 H GLU A 94 -7.263 -11.393 2.989 1.00 0.00 H new ATOM 0 HA GLU A 94 -6.254 -12.781 5.122 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -6.692 -14.149 2.462 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -7.237 -14.642 4.052 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -8.898 -12.763 4.031 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -8.384 -12.357 2.405 1.00 0.00 H new ATOM 1234 N ASP A 95 -4.219 -12.883 2.542 1.00 0.00 N ATOM 1235 CA ASP A 95 -2.909 -13.325 2.073 1.00 0.00 C ATOM 1236 C ASP A 95 -1.817 -12.333 2.456 1.00 0.00 C ATOM 1237 O ASP A 95 -0.638 -12.687 2.515 1.00 0.00 O ATOM 1238 CB ASP A 95 -2.916 -13.504 0.552 1.00 0.00 C ATOM 1239 CG ASP A 95 -4.044 -14.398 0.073 1.00 0.00 C ATOM 1240 OD1 ASP A 95 -3.906 -15.637 0.144 1.00 0.00 O ATOM 1241 OD2 ASP A 95 -5.078 -13.865 -0.381 1.00 0.00 O ATOM 0 H ASP A 95 -4.720 -12.288 1.883 1.00 0.00 H new ATOM 0 HA ASP A 95 -2.697 -14.280 2.553 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -3.005 -12.528 0.076 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -1.963 -13.928 0.236 1.00 0.00 H new ATOM 1246 N VAL A 96 -2.212 -11.090 2.728 1.00 0.00 N ATOM 1247 CA VAL A 96 -1.251 -10.027 3.014 1.00 0.00 C ATOM 1248 C VAL A 96 -0.427 -10.372 4.251 1.00 0.00 C ATOM 1249 O VAL A 96 0.744 -10.005 4.359 1.00 0.00 O ATOM 1250 CB VAL A 96 -1.952 -8.656 3.242 1.00 0.00 C ATOM 1251 CG1 VAL A 96 -1.979 -8.278 4.719 1.00 0.00 C ATOM 1252 CG2 VAL A 96 -1.285 -7.552 2.437 1.00 0.00 C ATOM 0 H VAL A 96 -3.188 -10.795 2.756 1.00 0.00 H new ATOM 0 HA VAL A 96 -0.601 -9.944 2.143 1.00 0.00 H new ATOM 0 HB VAL A 96 -2.980 -8.766 2.897 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -2.476 -7.315 4.839 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -2.522 -9.039 5.279 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -0.958 -8.209 5.096 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -1.799 -6.608 2.619 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -0.242 -7.461 2.739 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -1.336 -7.794 1.375 1.00 0.00 H new ATOM 1262 N VAL A 97 -1.051 -11.100 5.172 1.00 0.00 N ATOM 1263 CA VAL A 97 -0.465 -11.353 6.475 1.00 0.00 C ATOM 1264 C VAL A 97 0.770 -12.231 6.358 1.00 0.00 C ATOM 1265 O VAL A 97 1.690 -12.135 7.168 1.00 0.00 O ATOM 1266 CB VAL A 97 -1.493 -11.996 7.438 1.00 0.00 C ATOM 1267 CG1 VAL A 97 -2.789 -11.209 7.399 1.00 0.00 C ATOM 1268 CG2 VAL A 97 -1.750 -13.456 7.093 1.00 0.00 C ATOM 0 H VAL A 97 -1.968 -11.525 5.034 1.00 0.00 H new ATOM 0 HA VAL A 97 -0.165 -10.391 6.890 1.00 0.00 H new ATOM 0 HB VAL A 97 -1.079 -11.967 8.446 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -3.511 -11.663 8.077 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -2.600 -10.181 7.706 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -3.189 -11.217 6.385 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -2.477 -13.872 7.791 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -2.140 -13.527 6.078 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -0.817 -14.016 7.163 1.00 0.00 H new ATOM 1278 N ASP A 98 0.797 -13.072 5.336 1.00 0.00 N ATOM 1279 CA ASP A 98 1.949 -13.906 5.086 1.00 0.00 C ATOM 1280 C ASP A 98 2.998 -13.102 4.346 1.00 0.00 C ATOM 1281 O ASP A 98 4.187 -13.259 4.577 1.00 0.00 O ATOM 1282 CB ASP A 98 1.579 -15.145 4.267 1.00 0.00 C ATOM 1283 CG ASP A 98 0.586 -16.053 4.961 1.00 0.00 C ATOM 1284 OD1 ASP A 98 -0.632 -15.823 4.829 1.00 0.00 O ATOM 1285 OD2 ASP A 98 1.019 -17.019 5.623 1.00 0.00 O ATOM 0 H ASP A 98 0.033 -13.191 4.671 1.00 0.00 H new ATOM 0 HA ASP A 98 2.341 -14.243 6.046 1.00 0.00 H new ATOM 0 HB2 ASP A 98 1.163 -14.828 3.311 1.00 0.00 H new ATOM 0 HB3 ASP A 98 2.485 -15.710 4.048 1.00 0.00 H new ATOM 1290 N LEU A 99 2.544 -12.215 3.475 1.00 0.00 N ATOM 1291 CA LEU A 99 3.451 -11.402 2.670 1.00 0.00 C ATOM 1292 C LEU A 99 4.243 -10.446 3.548 1.00 0.00 C ATOM 1293 O LEU A 99 5.467 -10.373 3.461 1.00 0.00 O ATOM 1294 CB LEU A 99 2.671 -10.612 1.618 1.00 0.00 C ATOM 1295 CG LEU A 99 2.080 -11.444 0.482 1.00 0.00 C ATOM 1296 CD1 LEU A 99 1.204 -10.579 -0.401 1.00 0.00 C ATOM 1297 CD2 LEU A 99 3.186 -12.085 -0.341 1.00 0.00 C ATOM 0 H LEU A 99 1.554 -12.037 3.305 1.00 0.00 H new ATOM 0 HA LEU A 99 4.147 -12.073 2.167 1.00 0.00 H new ATOM 0 HB2 LEU A 99 1.861 -10.079 2.115 1.00 0.00 H new ATOM 0 HB3 LEU A 99 3.332 -9.859 1.189 1.00 0.00 H new ATOM 0 HG LEU A 99 1.469 -12.235 0.916 1.00 0.00 H new ATOM 0 HD11 LEU A 99 0.789 -11.185 -1.207 1.00 0.00 H new ATOM 0 HD12 LEU A 99 0.392 -10.159 0.192 1.00 0.00 H new ATOM 0 HD13 LEU A 99 1.800 -9.771 -0.825 1.00 0.00 H new ATOM 0 HD21 LEU A 99 2.746 -12.674 -1.146 1.00 0.00 H new ATOM 0 HD22 LEU A 99 3.821 -11.307 -0.766 1.00 0.00 H new ATOM 0 HD23 LEU A 99 3.785 -12.734 0.298 1.00 0.00 H new ATOM 1309 N ILE A 100 3.534 -9.735 4.410 1.00 0.00 N ATOM 1310 CA ILE A 100 4.148 -8.731 5.266 1.00 0.00 C ATOM 1311 C ILE A 100 5.027 -9.384 6.337 1.00 0.00 C ATOM 1312 O ILE A 100 5.966 -8.773 6.845 1.00 0.00 O ATOM 1313 CB ILE A 100 3.068 -7.836 5.923 1.00 0.00 C ATOM 1314 CG1 ILE A 100 2.162 -7.245 4.834 1.00 0.00 C ATOM 1315 CG2 ILE A 100 3.709 -6.733 6.758 1.00 0.00 C ATOM 1316 CD1 ILE A 100 1.163 -6.225 5.337 1.00 0.00 C ATOM 0 H ILE A 100 2.527 -9.835 4.536 1.00 0.00 H new ATOM 0 HA ILE A 100 4.784 -8.103 4.642 1.00 0.00 H new ATOM 0 HB ILE A 100 2.463 -8.445 6.595 1.00 0.00 H new ATOM 0 HG12 ILE A 100 2.787 -6.779 4.072 1.00 0.00 H new ATOM 0 HG13 ILE A 100 1.621 -8.057 4.349 1.00 0.00 H new ATOM 0 HG21 ILE A 100 2.930 -6.118 7.209 1.00 0.00 H new ATOM 0 HG22 ILE A 100 4.319 -7.179 7.543 1.00 0.00 H new ATOM 0 HG23 ILE A 100 4.337 -6.112 6.120 1.00 0.00 H new ATOM 0 HD11 ILE A 100 0.565 -5.860 4.502 1.00 0.00 H new ATOM 0 HD12 ILE A 100 0.510 -6.689 6.076 1.00 0.00 H new ATOM 0 HD13 ILE A 100 1.694 -5.391 5.795 1.00 0.00 H new ATOM 1328 N SER A 101 4.736 -10.639 6.653 1.00 0.00 N ATOM 1329 CA SER A 101 5.496 -11.365 7.662 1.00 0.00 C ATOM 1330 C SER A 101 6.660 -12.133 7.025 1.00 0.00 C ATOM 1331 O SER A 101 7.531 -12.659 7.722 1.00 0.00 O ATOM 1332 CB SER A 101 4.569 -12.323 8.418 1.00 0.00 C ATOM 1333 OG SER A 101 5.234 -12.948 9.502 1.00 0.00 O ATOM 0 H SER A 101 3.980 -11.175 6.226 1.00 0.00 H new ATOM 0 HA SER A 101 5.916 -10.646 8.366 1.00 0.00 H new ATOM 0 HB2 SER A 101 3.703 -11.775 8.789 1.00 0.00 H new ATOM 0 HB3 SER A 101 4.195 -13.084 7.733 1.00 0.00 H new ATOM 0 HG SER A 101 6.199 -12.959 9.332 1.00 0.00 H new ATOM 1339 N GLY A 102 6.676 -12.189 5.697 1.00 0.00 N ATOM 1340 CA GLY A 102 7.730 -12.904 4.997 1.00 0.00 C ATOM 1341 C GLY A 102 7.467 -14.394 4.932 1.00 0.00 C ATOM 1342 O GLY A 102 8.373 -15.186 4.674 1.00 0.00 O ATOM 0 H GLY A 102 5.979 -11.753 5.093 1.00 0.00 H new ATOM 0 HA2 GLY A 102 7.824 -12.509 3.985 1.00 0.00 H new ATOM 0 HA3 GLY A 102 8.682 -12.727 5.498 1.00 0.00 H new ATOM 1346 N LYS A 103 6.222 -14.765 5.168 1.00 0.00 N ATOM 1347 CA LYS A 103 5.804 -16.157 5.151 1.00 0.00 C ATOM 1348 C LYS A 103 5.456 -16.595 3.736 1.00 0.00 C ATOM 1349 O LYS A 103 5.807 -17.695 3.307 1.00 0.00 O ATOM 1350 CB LYS A 103 4.584 -16.329 6.053 1.00 0.00 C ATOM 1351 CG LYS A 103 4.900 -16.197 7.534 1.00 0.00 C ATOM 1352 CD LYS A 103 3.635 -16.123 8.374 1.00 0.00 C ATOM 1353 CE LYS A 103 3.957 -15.948 9.849 1.00 0.00 C ATOM 1354 NZ LYS A 103 2.725 -15.826 10.673 1.00 0.00 N ATOM 0 H LYS A 103 5.470 -14.109 5.377 1.00 0.00 H new ATOM 0 HA LYS A 103 6.625 -16.775 5.514 1.00 0.00 H new ATOM 0 HB2 LYS A 103 3.834 -15.586 5.782 1.00 0.00 H new ATOM 0 HB3 LYS A 103 4.142 -17.308 5.870 1.00 0.00 H new ATOM 0 HG2 LYS A 103 5.501 -17.048 7.855 1.00 0.00 H new ATOM 0 HG3 LYS A 103 5.500 -15.302 7.700 1.00 0.00 H new ATOM 0 HD2 LYS A 103 3.019 -15.291 8.034 1.00 0.00 H new ATOM 0 HD3 LYS A 103 3.050 -17.032 8.233 1.00 0.00 H new ATOM 0 HE2 LYS A 103 4.544 -16.798 10.196 1.00 0.00 H new ATOM 0 HE3 LYS A 103 4.574 -15.059 9.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 2.986 -15.708 11.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 2.177 -15.000 10.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 2.149 -16.685 10.565 1.00 0.00 H new ATOM 1368 N LEU A 104 4.773 -15.720 3.020 1.00 0.00 N ATOM 1369 CA LEU A 104 4.368 -15.993 1.654 1.00 0.00 C ATOM 1370 C LEU A 104 5.265 -15.248 0.673 1.00 0.00 C ATOM 1371 O LEU A 104 5.413 -14.029 0.754 1.00 0.00 O ATOM 1372 CB LEU A 104 2.899 -15.594 1.481 1.00 0.00 C ATOM 1373 CG LEU A 104 2.335 -15.609 0.058 1.00 0.00 C ATOM 1374 CD1 LEU A 104 2.470 -16.985 -0.568 1.00 0.00 C ATOM 1375 CD2 LEU A 104 0.874 -15.170 0.062 1.00 0.00 C ATOM 0 H LEU A 104 4.485 -14.805 3.367 1.00 0.00 H new ATOM 0 HA LEU A 104 4.471 -17.058 1.444 1.00 0.00 H new ATOM 0 HB2 LEU A 104 2.293 -16.263 2.092 1.00 0.00 H new ATOM 0 HB3 LEU A 104 2.772 -14.590 1.885 1.00 0.00 H new ATOM 0 HG LEU A 104 2.913 -14.906 -0.542 1.00 0.00 H new ATOM 0 HD11 LEU A 104 2.061 -16.967 -1.578 1.00 0.00 H new ATOM 0 HD12 LEU A 104 3.523 -17.265 -0.607 1.00 0.00 H new ATOM 0 HD13 LEU A 104 1.923 -17.713 0.031 1.00 0.00 H new ATOM 0 HD21 LEU A 104 0.487 -15.186 -0.957 1.00 0.00 H new ATOM 0 HD22 LEU A 104 0.291 -15.851 0.682 1.00 0.00 H new ATOM 0 HD23 LEU A 104 0.799 -14.159 0.463 1.00 0.00 H new ATOM 1387 N ASN A 105 5.886 -15.999 -0.226 1.00 0.00 N ATOM 1388 CA ASN A 105 6.742 -15.426 -1.258 1.00 0.00 C ATOM 1389 C ASN A 105 5.912 -14.645 -2.268 1.00 0.00 C ATOM 1390 O ASN A 105 5.031 -15.204 -2.921 1.00 0.00 O ATOM 1391 CB ASN A 105 7.533 -16.529 -1.977 1.00 0.00 C ATOM 1392 CG ASN A 105 8.738 -17.002 -1.186 1.00 0.00 C ATOM 1393 OD1 ASN A 105 8.753 -16.950 0.042 1.00 0.00 O ATOM 1394 ND2 ASN A 105 9.759 -17.469 -1.888 1.00 0.00 N ATOM 0 H ASN A 105 5.812 -17.016 -0.262 1.00 0.00 H new ATOM 0 HA ASN A 105 7.444 -14.745 -0.776 1.00 0.00 H new ATOM 0 HB2 ASN A 105 6.874 -17.376 -2.167 1.00 0.00 H new ATOM 0 HB3 ASN A 105 7.864 -16.158 -2.947 1.00 0.00 H new ATOM 0 HD21 ASN A 105 10.596 -17.802 -1.410 1.00 0.00 H new ATOM 0 HD22 ASN A 105 9.708 -17.496 -2.906 1.00 0.00 H new ATOM 1401 N PRO A 106 6.193 -13.338 -2.425 1.00 0.00 N ATOM 1402 CA PRO A 106 5.463 -12.496 -3.367 1.00 0.00 C ATOM 1403 C PRO A 106 5.708 -12.934 -4.801 1.00 0.00 C ATOM 1404 O PRO A 106 4.909 -12.667 -5.691 1.00 0.00 O ATOM 1405 CB PRO A 106 5.998 -11.079 -3.139 1.00 0.00 C ATOM 1406 CG PRO A 106 6.943 -11.154 -1.984 1.00 0.00 C ATOM 1407 CD PRO A 106 7.244 -12.602 -1.710 1.00 0.00 C ATOM 0 HA PRO A 106 4.387 -12.560 -3.208 1.00 0.00 H new ATOM 0 HB2 PRO A 106 6.505 -10.710 -4.030 1.00 0.00 H new ATOM 0 HB3 PRO A 106 5.183 -10.388 -2.927 1.00 0.00 H new ATOM 0 HG2 PRO A 106 7.861 -10.612 -2.210 1.00 0.00 H new ATOM 0 HG3 PRO A 106 6.504 -10.685 -1.104 1.00 0.00 H new ATOM 0 HD2 PRO A 106 8.236 -12.876 -2.070 1.00 0.00 H new ATOM 0 HD3 PRO A 106 7.222 -12.817 -0.642 1.00 0.00 H new ATOM 1415 N GLN A 107 6.822 -13.623 -5.000 1.00 0.00 N ATOM 1416 CA GLN A 107 7.162 -14.187 -6.293 1.00 0.00 C ATOM 1417 C GLN A 107 6.153 -15.253 -6.694 1.00 0.00 C ATOM 1418 O GLN A 107 5.548 -15.185 -7.762 1.00 0.00 O ATOM 1419 CB GLN A 107 8.550 -14.795 -6.229 1.00 0.00 C ATOM 1420 CG GLN A 107 9.451 -14.344 -7.356 1.00 0.00 C ATOM 1421 CD GLN A 107 9.017 -14.856 -8.718 1.00 0.00 C ATOM 1422 OE1 GLN A 107 9.427 -15.935 -9.146 1.00 0.00 O ATOM 1423 NE2 GLN A 107 8.200 -14.085 -9.415 1.00 0.00 N ATOM 0 H GLN A 107 7.512 -13.805 -4.271 1.00 0.00 H new ATOM 0 HA GLN A 107 7.142 -13.393 -7.039 1.00 0.00 H new ATOM 0 HB2 GLN A 107 9.011 -14.532 -5.277 1.00 0.00 H new ATOM 0 HB3 GLN A 107 8.465 -15.881 -6.253 1.00 0.00 H new ATOM 0 HG2 GLN A 107 9.476 -13.254 -7.377 1.00 0.00 H new ATOM 0 HG3 GLN A 107 10.468 -14.683 -7.156 1.00 0.00 H new ATOM 0 HE21 GLN A 107 7.881 -13.197 -9.027 1.00 0.00 H new ATOM 0 HE22 GLN A 107 7.888 -14.378 -10.341 1.00 0.00 H new ATOM 1432 N LYS A 108 5.971 -16.235 -5.821 1.00 0.00 N ATOM 1433 CA LYS A 108 5.021 -17.308 -6.080 1.00 0.00 C ATOM 1434 C LYS A 108 3.601 -16.760 -6.065 1.00 0.00 C ATOM 1435 O LYS A 108 2.748 -17.207 -6.827 1.00 0.00 O ATOM 1436 CB LYS A 108 5.159 -18.452 -5.060 1.00 0.00 C ATOM 1437 CG LYS A 108 4.550 -18.164 -3.695 1.00 0.00 C ATOM 1438 CD LYS A 108 3.629 -19.284 -3.234 1.00 0.00 C ATOM 1439 CE LYS A 108 2.221 -19.134 -3.798 1.00 0.00 C ATOM 1440 NZ LYS A 108 1.357 -20.292 -3.446 1.00 0.00 N ATOM 0 H LYS A 108 6.466 -16.311 -4.932 1.00 0.00 H new ATOM 0 HA LYS A 108 5.242 -17.718 -7.066 1.00 0.00 H new ATOM 0 HB2 LYS A 108 4.689 -19.346 -5.471 1.00 0.00 H new ATOM 0 HB3 LYS A 108 6.217 -18.679 -4.930 1.00 0.00 H new ATOM 0 HG2 LYS A 108 5.347 -18.026 -2.964 1.00 0.00 H new ATOM 0 HG3 LYS A 108 3.991 -17.229 -3.737 1.00 0.00 H new ATOM 0 HD2 LYS A 108 4.043 -20.244 -3.543 1.00 0.00 H new ATOM 0 HD3 LYS A 108 3.584 -19.292 -2.145 1.00 0.00 H new ATOM 0 HE2 LYS A 108 1.773 -18.217 -3.416 1.00 0.00 H new ATOM 0 HE3 LYS A 108 2.273 -19.036 -4.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 0.408 -20.152 -3.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 1.771 -21.164 -3.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 1.287 -20.371 -2.411 1.00 0.00 H new ATOM 1454 N ALA A 109 3.355 -15.779 -5.203 1.00 0.00 N ATOM 1455 CA ALA A 109 2.043 -15.156 -5.119 1.00 0.00 C ATOM 1456 C ALA A 109 1.724 -14.426 -6.417 1.00 0.00 C ATOM 1457 O ALA A 109 0.571 -14.378 -6.847 1.00 0.00 O ATOM 1458 CB ALA A 109 1.981 -14.204 -3.938 1.00 0.00 C ATOM 0 H ALA A 109 4.046 -15.400 -4.555 1.00 0.00 H new ATOM 0 HA ALA A 109 1.295 -15.934 -4.967 1.00 0.00 H new ATOM 0 HB1 ALA A 109 0.993 -13.747 -3.891 1.00 0.00 H new ATOM 0 HB2 ALA A 109 2.171 -14.754 -3.017 1.00 0.00 H new ATOM 0 HB3 ALA A 109 2.735 -13.426 -4.058 1.00 0.00 H new ATOM 1464 N PHE A 110 2.754 -13.863 -7.037 1.00 0.00 N ATOM 1465 CA PHE A 110 2.612 -13.220 -8.334 1.00 0.00 C ATOM 1466 C PHE A 110 2.151 -14.251 -9.360 1.00 0.00 C ATOM 1467 O PHE A 110 1.150 -14.061 -10.053 1.00 0.00 O ATOM 1468 CB PHE A 110 3.956 -12.610 -8.767 1.00 0.00 C ATOM 1469 CG PHE A 110 3.898 -11.782 -10.027 1.00 0.00 C ATOM 1470 CD1 PHE A 110 3.749 -12.382 -11.269 1.00 0.00 C ATOM 1471 CD2 PHE A 110 4.004 -10.403 -9.968 1.00 0.00 C ATOM 1472 CE1 PHE A 110 3.703 -11.623 -12.421 1.00 0.00 C ATOM 1473 CE2 PHE A 110 3.962 -9.637 -11.118 1.00 0.00 C ATOM 1474 CZ PHE A 110 3.810 -10.248 -12.345 1.00 0.00 C ATOM 0 H PHE A 110 3.701 -13.840 -6.659 1.00 0.00 H new ATOM 0 HA PHE A 110 1.872 -12.423 -8.265 1.00 0.00 H new ATOM 0 HB2 PHE A 110 4.334 -11.987 -7.957 1.00 0.00 H new ATOM 0 HB3 PHE A 110 4.675 -13.416 -8.911 1.00 0.00 H new ATOM 0 HD1 PHE A 110 3.668 -13.457 -11.335 1.00 0.00 H new ATOM 0 HD2 PHE A 110 4.121 -9.919 -9.010 1.00 0.00 H new ATOM 0 HE1 PHE A 110 3.583 -12.104 -13.381 1.00 0.00 H new ATOM 0 HE2 PHE A 110 4.048 -8.562 -11.056 1.00 0.00 H new ATOM 0 HZ PHE A 110 3.775 -9.652 -13.245 1.00 0.00 H new ATOM 1484 N PHE A 111 2.889 -15.353 -9.417 1.00 0.00 N ATOM 1485 CA PHE A 111 2.622 -16.438 -10.354 1.00 0.00 C ATOM 1486 C PHE A 111 1.226 -17.026 -10.149 1.00 0.00 C ATOM 1487 O PHE A 111 0.526 -17.340 -11.112 1.00 0.00 O ATOM 1488 CB PHE A 111 3.680 -17.535 -10.179 1.00 0.00 C ATOM 1489 CG PHE A 111 3.467 -18.740 -11.054 1.00 0.00 C ATOM 1490 CD1 PHE A 111 3.593 -18.647 -12.430 1.00 0.00 C ATOM 1491 CD2 PHE A 111 3.148 -19.967 -10.495 1.00 0.00 C ATOM 1492 CE1 PHE A 111 3.401 -19.755 -13.232 1.00 0.00 C ATOM 1493 CE2 PHE A 111 2.954 -21.078 -11.293 1.00 0.00 C ATOM 1494 CZ PHE A 111 3.081 -20.973 -12.663 1.00 0.00 C ATOM 0 H PHE A 111 3.693 -15.520 -8.812 1.00 0.00 H new ATOM 0 HA PHE A 111 2.668 -16.034 -11.365 1.00 0.00 H new ATOM 0 HB2 PHE A 111 4.663 -17.114 -10.392 1.00 0.00 H new ATOM 0 HB3 PHE A 111 3.689 -17.853 -9.137 1.00 0.00 H new ATOM 0 HD1 PHE A 111 3.844 -17.698 -12.881 1.00 0.00 H new ATOM 0 HD2 PHE A 111 3.050 -20.056 -9.423 1.00 0.00 H new ATOM 0 HE1 PHE A 111 3.501 -19.669 -14.304 1.00 0.00 H new ATOM 0 HE2 PHE A 111 2.703 -22.028 -10.845 1.00 0.00 H new ATOM 0 HZ PHE A 111 2.931 -21.840 -13.289 1.00 0.00 H new ATOM 1504 N GLN A 112 0.825 -17.157 -8.893 1.00 0.00 N ATOM 1505 CA GLN A 112 -0.433 -17.800 -8.549 1.00 0.00 C ATOM 1506 C GLN A 112 -1.617 -16.833 -8.610 1.00 0.00 C ATOM 1507 O GLN A 112 -2.680 -17.105 -8.053 1.00 0.00 O ATOM 1508 CB GLN A 112 -0.311 -18.430 -7.162 1.00 0.00 C ATOM 1509 CG GLN A 112 0.706 -19.561 -7.100 1.00 0.00 C ATOM 1510 CD GLN A 112 0.334 -20.756 -7.965 1.00 0.00 C ATOM 1511 OE1 GLN A 112 -0.318 -20.623 -9.002 1.00 0.00 O ATOM 1512 NE2 GLN A 112 0.752 -21.937 -7.544 1.00 0.00 N ATOM 0 H GLN A 112 1.358 -16.823 -8.090 1.00 0.00 H new ATOM 0 HA GLN A 112 -0.633 -18.575 -9.288 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -0.031 -17.659 -6.444 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -1.286 -18.810 -6.857 1.00 0.00 H new ATOM 0 HG2 GLN A 112 1.679 -19.183 -7.415 1.00 0.00 H new ATOM 0 HG3 GLN A 112 0.811 -19.889 -6.066 1.00 0.00 H new ATOM 0 HE21 GLN A 112 1.290 -22.009 -6.680 1.00 0.00 H new ATOM 0 HE22 GLN A 112 0.537 -22.776 -8.083 1.00 0.00 H new ATOM 1521 N GLY A 113 -1.423 -15.700 -9.280 1.00 0.00 N ATOM 1522 CA GLY A 113 -2.521 -14.777 -9.531 1.00 0.00 C ATOM 1523 C GLY A 113 -2.974 -14.023 -8.295 1.00 0.00 C ATOM 1524 O GLY A 113 -4.023 -13.376 -8.304 1.00 0.00 O ATOM 0 H GLY A 113 -0.522 -15.402 -9.655 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -2.215 -14.060 -10.292 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -3.366 -15.332 -9.938 1.00 0.00 H new ATOM 1528 N LYS A 114 -2.188 -14.097 -7.235 1.00 0.00 N ATOM 1529 CA LYS A 114 -2.514 -13.409 -5.995 1.00 0.00 C ATOM 1530 C LYS A 114 -1.977 -11.993 -6.011 1.00 0.00 C ATOM 1531 O LYS A 114 -2.689 -11.045 -5.689 1.00 0.00 O ATOM 1532 CB LYS A 114 -1.948 -14.170 -4.794 1.00 0.00 C ATOM 1533 CG LYS A 114 -2.739 -15.413 -4.432 1.00 0.00 C ATOM 1534 CD LYS A 114 -3.804 -15.127 -3.379 1.00 0.00 C ATOM 1535 CE LYS A 114 -4.767 -14.025 -3.801 1.00 0.00 C ATOM 1536 NZ LYS A 114 -5.940 -13.956 -2.897 1.00 0.00 N ATOM 0 H LYS A 114 -1.317 -14.628 -7.207 1.00 0.00 H new ATOM 0 HA LYS A 114 -3.600 -13.369 -5.906 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -0.918 -14.455 -5.008 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -1.921 -13.503 -3.932 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -3.213 -15.814 -5.328 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -2.059 -16.180 -4.061 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -4.367 -16.039 -3.180 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -3.319 -14.842 -2.445 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -4.248 -13.066 -3.800 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -5.103 -14.205 -4.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -6.289 -12.977 -2.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -6.693 -14.577 -3.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -5.662 -14.266 -1.944 1.00 0.00 H new ATOM 1550 N ILE A 115 -0.722 -11.862 -6.401 1.00 0.00 N ATOM 1551 CA ILE A 115 -0.053 -10.577 -6.414 1.00 0.00 C ATOM 1552 C ILE A 115 -0.112 -9.944 -7.801 1.00 0.00 C ATOM 1553 O ILE A 115 0.304 -10.539 -8.800 1.00 0.00 O ATOM 1554 CB ILE A 115 1.409 -10.720 -5.908 1.00 0.00 C ATOM 1555 CG1 ILE A 115 1.543 -10.131 -4.518 1.00 0.00 C ATOM 1556 CG2 ILE A 115 2.401 -10.029 -6.811 1.00 0.00 C ATOM 1557 CD1 ILE A 115 2.732 -10.650 -3.764 1.00 0.00 C ATOM 0 H ILE A 115 -0.142 -12.640 -6.716 1.00 0.00 H new ATOM 0 HA ILE A 115 -0.576 -9.907 -5.732 1.00 0.00 H new ATOM 0 HB ILE A 115 1.631 -11.787 -5.900 1.00 0.00 H new ATOM 0 HG12 ILE A 115 1.617 -9.046 -4.596 1.00 0.00 H new ATOM 0 HG13 ILE A 115 0.638 -10.349 -3.950 1.00 0.00 H new ATOM 0 HG21 ILE A 115 3.407 -10.159 -6.413 1.00 0.00 H new ATOM 0 HG22 ILE A 115 2.347 -10.462 -7.810 1.00 0.00 H new ATOM 0 HG23 ILE A 115 2.166 -8.966 -6.864 1.00 0.00 H new ATOM 0 HD11 ILE A 115 2.768 -10.187 -2.778 1.00 0.00 H new ATOM 0 HD12 ILE A 115 2.650 -11.731 -3.655 1.00 0.00 H new ATOM 0 HD13 ILE A 115 3.643 -10.409 -4.311 1.00 0.00 H new ATOM 1569 N LYS A 116 -0.695 -8.755 -7.857 1.00 0.00 N ATOM 1570 CA LYS A 116 -0.710 -7.968 -9.077 1.00 0.00 C ATOM 1571 C LYS A 116 0.064 -6.679 -8.841 1.00 0.00 C ATOM 1572 O LYS A 116 -0.461 -5.736 -8.251 1.00 0.00 O ATOM 1573 CB LYS A 116 -2.143 -7.622 -9.498 1.00 0.00 C ATOM 1574 CG LYS A 116 -3.125 -8.783 -9.434 1.00 0.00 C ATOM 1575 CD LYS A 116 -2.787 -9.870 -10.439 1.00 0.00 C ATOM 1576 CE LYS A 116 -3.902 -10.899 -10.535 1.00 0.00 C ATOM 1577 NZ LYS A 116 -5.189 -10.285 -10.962 1.00 0.00 N ATOM 0 H LYS A 116 -1.165 -8.314 -7.066 1.00 0.00 H new ATOM 0 HA LYS A 116 -0.251 -8.554 -9.873 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -2.510 -6.818 -8.860 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -2.124 -7.236 -10.517 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -3.122 -9.205 -8.429 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -4.134 -8.416 -9.623 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -2.617 -9.423 -11.418 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -1.859 -10.362 -10.148 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -3.618 -11.677 -11.244 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -4.034 -11.383 -9.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -5.632 -10.879 -11.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -5.826 -10.210 -10.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -5.010 -9.337 -11.349 1.00 0.00 H new ATOM 1591 N ILE A 117 1.312 -6.650 -9.275 1.00 0.00 N ATOM 1592 CA ILE A 117 2.156 -5.491 -9.083 1.00 0.00 C ATOM 1593 C ILE A 117 2.537 -4.875 -10.424 1.00 0.00 C ATOM 1594 O ILE A 117 3.016 -5.558 -11.330 1.00 0.00 O ATOM 1595 CB ILE A 117 3.404 -5.854 -8.235 1.00 0.00 C ATOM 1596 CG1 ILE A 117 4.624 -5.016 -8.605 1.00 0.00 C ATOM 1597 CG2 ILE A 117 3.731 -7.330 -8.342 1.00 0.00 C ATOM 1598 CD1 ILE A 117 4.546 -3.574 -8.151 1.00 0.00 C ATOM 0 H ILE A 117 1.762 -7.423 -9.765 1.00 0.00 H new ATOM 0 HA ILE A 117 1.595 -4.739 -8.528 1.00 0.00 H new ATOM 0 HB ILE A 117 3.150 -5.624 -7.200 1.00 0.00 H new ATOM 0 HG12 ILE A 117 5.512 -5.475 -8.170 1.00 0.00 H new ATOM 0 HG13 ILE A 117 4.752 -5.038 -9.687 1.00 0.00 H new ATOM 0 HG21 ILE A 117 4.610 -7.553 -7.737 1.00 0.00 H new ATOM 0 HG22 ILE A 117 2.885 -7.917 -7.983 1.00 0.00 H new ATOM 0 HG23 ILE A 117 3.933 -7.583 -9.383 1.00 0.00 H new ATOM 0 HD11 ILE A 117 5.452 -3.048 -8.453 1.00 0.00 H new ATOM 0 HD12 ILE A 117 3.679 -3.095 -8.607 1.00 0.00 H new ATOM 0 HD13 ILE A 117 4.451 -3.539 -7.066 1.00 0.00 H new