USER MOD reduce.3.24.130724 H: found=0, std=0, add=783, rem=0, adj=21 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 -150:sc= 0.894 USER MOD Set 1.2: A 114 LYS NZ :NH3+ -120:sc= 2.09 (180deg=0.567) USER MOD Set 2.1: A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 90 THR OG1 : rot -151:sc= -1.39 USER MOD Single : A 19 ASN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ -147:sc= -1.15 (180deg=-2.64!) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 MET CE :methyl -117:sc= -1.61 (180deg=-2.59!) USER MOD Single : A 30 LYS NZ :NH3+ -163:sc= 1.22 (180deg=0.487) USER MOD Single : A 36 MET CE :methyl 144:sc= -1.94! (180deg=-4.11!) USER MOD Single : A 38 ASN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.158 USER MOD Single : A 42 ASN : amide:sc= -0.164 X(o=-0.16,f=-0.41) USER MOD Single : A 46 LYS NZ :NH3+ 161:sc= -0.0583 (180deg=-0.37) USER MOD Single : A 51 TYR OH : rot 180:sc= -0.59 USER MOD Single : A 57 ASN : amide:sc= 0.394 K(o=0.39,f=-1.6!) USER MOD Single : A 60 ASN : amide:sc= -0.0395 X(o=-0.04,f=-0.2) USER MOD Single : A 65 TYR OH : rot 180:sc= -0.461 USER MOD Single : A 69 ASN : amide:sc= -1.63 K(o=-1.6,f=-11!) USER MOD Single : A 71 LYS NZ :NH3+ -160:sc= 0.0707 (180deg=-0.223) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 179:sc= 0.94 (180deg=0.903) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 84 LYS NZ :NH3+ -113:sc= -0.215 (180deg=-1.74!) USER MOD Single : A 88 THR OG1 : rot 180:sc= -0.0144 USER MOD Single : A 101 SER OG : rot -79:sc= 0.818 USER MOD Single : A 103 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0364) USER MOD Single : A 105 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 GLN : amide:sc= -0.97 K(o=-0.97,f=-0.16) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 GLN : amide:sc= -1.12 K(o=-1.1,f=-0.04) USER MOD Single : A 116 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0834) USER MOD ----------------------------------------------------------------- ATOM 39 N ASN A 19 -14.589 0.097 5.793 1.00 0.00 N ATOM 40 CA ASN A 19 -13.701 0.983 6.531 1.00 0.00 C ATOM 41 C ASN A 19 -12.381 0.284 6.816 1.00 0.00 C ATOM 42 O ASN A 19 -12.334 -0.931 7.002 1.00 0.00 O ATOM 43 CB ASN A 19 -14.356 1.434 7.838 1.00 0.00 C ATOM 44 CG ASN A 19 -15.592 2.280 7.603 1.00 0.00 C ATOM 45 OD1 ASN A 19 -15.691 2.995 6.605 1.00 0.00 O ATOM 46 ND2 ASN A 19 -16.541 2.209 8.520 1.00 0.00 N ATOM 0 HA ASN A 19 -13.507 1.865 5.921 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -14.626 0.558 8.427 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -13.635 2.004 8.425 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -17.394 2.759 8.415 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -16.421 1.604 9.333 1.00 0.00 H new ATOM 53 N PRO A 20 -11.289 1.065 6.864 1.00 0.00 N ATOM 54 CA PRO A 20 -9.930 0.535 6.983 1.00 0.00 C ATOM 55 C PRO A 20 -9.718 -0.219 8.285 1.00 0.00 C ATOM 56 O PRO A 20 -8.930 -1.158 8.352 1.00 0.00 O ATOM 57 CB PRO A 20 -9.032 1.778 6.956 1.00 0.00 C ATOM 58 CG PRO A 20 -9.896 2.906 6.510 1.00 0.00 C ATOM 59 CD PRO A 20 -11.310 2.532 6.829 1.00 0.00 C ATOM 0 HA PRO A 20 -9.716 -0.177 6.186 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -8.612 1.976 7.942 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -8.193 1.637 6.274 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -9.618 3.829 7.019 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -9.776 3.083 5.441 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -11.628 2.950 7.784 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -12.002 2.904 6.073 1.00 0.00 H new ATOM 67 N GLU A 21 -10.441 0.205 9.310 1.00 0.00 N ATOM 68 CA GLU A 21 -10.342 -0.394 10.636 1.00 0.00 C ATOM 69 C GLU A 21 -10.903 -1.809 10.633 1.00 0.00 C ATOM 70 O GLU A 21 -10.553 -2.632 11.478 1.00 0.00 O ATOM 71 CB GLU A 21 -11.105 0.456 11.648 1.00 0.00 C ATOM 72 CG GLU A 21 -10.990 1.943 11.379 1.00 0.00 C ATOM 73 CD GLU A 21 -11.660 2.789 12.439 1.00 0.00 C ATOM 74 OE1 GLU A 21 -12.906 2.892 12.431 1.00 0.00 O ATOM 75 OE2 GLU A 21 -10.943 3.374 13.275 1.00 0.00 O ATOM 0 H GLU A 21 -11.111 0.971 9.249 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.289 -0.437 10.915 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -12.157 0.170 11.635 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -10.730 0.243 12.649 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -9.936 2.215 11.317 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -11.434 2.167 10.409 1.00 0.00 H new ATOM 82 N ASP A 22 -11.777 -2.084 9.675 1.00 0.00 N ATOM 83 CA ASP A 22 -12.399 -3.402 9.555 1.00 0.00 C ATOM 84 C ASP A 22 -11.429 -4.419 8.962 1.00 0.00 C ATOM 85 O ASP A 22 -11.648 -5.630 9.057 1.00 0.00 O ATOM 86 CB ASP A 22 -13.664 -3.337 8.694 1.00 0.00 C ATOM 87 CG ASP A 22 -14.805 -2.609 9.373 1.00 0.00 C ATOM 88 OD1 ASP A 22 -15.412 -3.182 10.302 1.00 0.00 O ATOM 89 OD2 ASP A 22 -15.113 -1.467 8.977 1.00 0.00 O ATOM 0 H ASP A 22 -12.074 -1.413 8.967 1.00 0.00 H new ATOM 0 HA ASP A 22 -12.671 -3.723 10.561 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -13.431 -2.839 7.753 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -13.982 -4.350 8.448 1.00 0.00 H new ATOM 94 N PHE A 23 -10.358 -3.928 8.356 1.00 0.00 N ATOM 95 CA PHE A 23 -9.370 -4.789 7.727 1.00 0.00 C ATOM 96 C PHE A 23 -8.282 -5.166 8.720 1.00 0.00 C ATOM 97 O PHE A 23 -7.996 -4.426 9.664 1.00 0.00 O ATOM 98 CB PHE A 23 -8.745 -4.093 6.517 1.00 0.00 C ATOM 99 CG PHE A 23 -9.676 -3.965 5.344 1.00 0.00 C ATOM 100 CD1 PHE A 23 -10.594 -2.931 5.278 1.00 0.00 C ATOM 101 CD2 PHE A 23 -9.627 -4.881 4.305 1.00 0.00 C ATOM 102 CE1 PHE A 23 -11.448 -2.813 4.198 1.00 0.00 C ATOM 103 CE2 PHE A 23 -10.477 -4.768 3.223 1.00 0.00 C ATOM 104 CZ PHE A 23 -11.389 -3.732 3.170 1.00 0.00 C ATOM 0 H PHE A 23 -10.151 -2.932 8.287 1.00 0.00 H new ATOM 0 HA PHE A 23 -9.874 -5.696 7.393 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -8.411 -3.099 6.814 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -7.859 -4.648 6.207 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -10.643 -2.209 6.079 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -8.916 -5.693 4.342 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -12.161 -2.003 4.158 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -10.429 -5.488 2.420 1.00 0.00 H new ATOM 0 HZ PHE A 23 -12.055 -3.641 2.325 1.00 0.00 H new ATOM 114 N LYS A 24 -7.673 -6.317 8.492 1.00 0.00 N ATOM 115 CA LYS A 24 -6.615 -6.810 9.355 1.00 0.00 C ATOM 116 C LYS A 24 -5.311 -6.124 8.996 1.00 0.00 C ATOM 117 O LYS A 24 -4.419 -5.979 9.835 1.00 0.00 O ATOM 118 CB LYS A 24 -6.463 -8.326 9.218 1.00 0.00 C ATOM 119 CG LYS A 24 -5.526 -8.932 10.247 1.00 0.00 C ATOM 120 CD LYS A 24 -6.124 -8.887 11.643 1.00 0.00 C ATOM 121 CE LYS A 24 -5.173 -9.475 12.670 1.00 0.00 C ATOM 122 NZ LYS A 24 -5.752 -9.456 14.037 1.00 0.00 N ATOM 0 H LYS A 24 -7.896 -6.932 7.709 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.874 -6.586 10.390 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -7.444 -8.792 9.311 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -6.093 -8.558 8.219 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -5.308 -9.965 9.977 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -4.578 -8.393 10.239 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -6.357 -7.856 11.908 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -7.064 -9.439 11.656 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -4.929 -10.501 12.393 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -4.239 -8.913 12.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -5.071 -9.866 14.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -5.961 -8.475 14.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -6.630 -10.014 14.050 1.00 0.00 H new ATOM 136 N VAL A 25 -5.214 -5.686 7.745 1.00 0.00 N ATOM 137 CA VAL A 25 -4.020 -5.016 7.267 1.00 0.00 C ATOM 138 C VAL A 25 -3.834 -3.671 7.961 1.00 0.00 C ATOM 139 O VAL A 25 -2.747 -3.120 7.943 1.00 0.00 O ATOM 140 CB VAL A 25 -4.039 -4.802 5.732 1.00 0.00 C ATOM 141 CG1 VAL A 25 -4.774 -5.925 5.028 1.00 0.00 C ATOM 142 CG2 VAL A 25 -4.625 -3.450 5.352 1.00 0.00 C ATOM 0 H VAL A 25 -5.951 -5.785 7.047 1.00 0.00 H new ATOM 0 HA VAL A 25 -3.183 -5.671 7.508 1.00 0.00 H new ATOM 0 HB VAL A 25 -3.001 -4.813 5.398 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -4.769 -5.745 3.953 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -4.279 -6.873 5.239 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -5.803 -5.966 5.385 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -4.619 -3.343 4.267 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -5.650 -3.382 5.718 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.027 -2.656 5.799 1.00 0.00 H new ATOM 152 N PHE A 26 -4.893 -3.149 8.578 1.00 0.00 N ATOM 153 CA PHE A 26 -4.805 -1.871 9.275 1.00 0.00 C ATOM 154 C PHE A 26 -3.664 -1.893 10.290 1.00 0.00 C ATOM 155 O PHE A 26 -2.798 -1.024 10.281 1.00 0.00 O ATOM 156 CB PHE A 26 -6.126 -1.546 9.977 1.00 0.00 C ATOM 157 CG PHE A 26 -6.147 -0.182 10.609 1.00 0.00 C ATOM 158 CD1 PHE A 26 -5.702 0.002 11.909 1.00 0.00 C ATOM 159 CD2 PHE A 26 -6.606 0.916 9.901 1.00 0.00 C ATOM 160 CE1 PHE A 26 -5.714 1.253 12.488 1.00 0.00 C ATOM 161 CE2 PHE A 26 -6.623 2.171 10.477 1.00 0.00 C ATOM 162 CZ PHE A 26 -6.175 2.340 11.773 1.00 0.00 C ATOM 0 H PHE A 26 -5.813 -3.588 8.609 1.00 0.00 H new ATOM 0 HA PHE A 26 -4.603 -1.095 8.537 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -6.939 -1.616 9.255 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -6.315 -2.297 10.744 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -5.342 -0.845 12.475 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -6.955 0.789 8.887 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -5.363 1.383 13.501 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -6.986 3.019 9.915 1.00 0.00 H new ATOM 0 HZ PHE A 26 -6.185 3.320 12.226 1.00 0.00 H new ATOM 172 N LYS A 27 -3.660 -2.910 11.141 1.00 0.00 N ATOM 173 CA LYS A 27 -2.640 -3.051 12.175 1.00 0.00 C ATOM 174 C LYS A 27 -1.279 -3.330 11.548 1.00 0.00 C ATOM 175 O LYS A 27 -0.257 -2.839 12.020 1.00 0.00 O ATOM 176 CB LYS A 27 -3.036 -4.178 13.128 1.00 0.00 C ATOM 177 CG LYS A 27 -2.873 -3.833 14.604 1.00 0.00 C ATOM 178 CD LYS A 27 -1.417 -3.783 15.037 1.00 0.00 C ATOM 179 CE LYS A 27 -0.689 -5.064 14.682 1.00 0.00 C ATOM 180 NZ LYS A 27 0.572 -5.226 15.455 1.00 0.00 N ATOM 0 H LYS A 27 -4.356 -3.655 11.136 1.00 0.00 H new ATOM 0 HA LYS A 27 -2.566 -2.119 12.736 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -4.076 -4.448 12.942 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -2.433 -5.058 12.903 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.340 -2.868 14.801 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -3.402 -4.572 15.206 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -0.923 -2.938 14.559 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.362 -3.618 16.113 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -1.342 -5.916 14.872 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.463 -5.068 13.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 1.277 -5.719 14.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.938 -4.290 15.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 0.384 -5.782 16.313 1.00 0.00 H new ATOM 194 N TYR A 28 -1.276 -4.097 10.470 1.00 0.00 N ATOM 195 CA TYR A 28 -0.036 -4.453 9.792 1.00 0.00 C ATOM 196 C TYR A 28 0.579 -3.250 9.083 1.00 0.00 C ATOM 197 O TYR A 28 1.743 -2.932 9.295 1.00 0.00 O ATOM 198 CB TYR A 28 -0.279 -5.582 8.798 1.00 0.00 C ATOM 199 CG TYR A 28 -0.356 -6.947 9.436 1.00 0.00 C ATOM 200 CD1 TYR A 28 -1.559 -7.464 9.896 1.00 0.00 C ATOM 201 CD2 TYR A 28 0.786 -7.719 9.574 1.00 0.00 C ATOM 202 CE1 TYR A 28 -1.618 -8.715 10.478 1.00 0.00 C ATOM 203 CE2 TYR A 28 0.738 -8.968 10.150 1.00 0.00 C ATOM 204 CZ TYR A 28 -0.466 -9.463 10.602 1.00 0.00 C ATOM 205 OH TYR A 28 -0.520 -10.708 11.185 1.00 0.00 O ATOM 0 H TYR A 28 -2.117 -4.486 10.044 1.00 0.00 H new ATOM 0 HA TYR A 28 0.670 -4.792 10.550 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -1.208 -5.388 8.262 1.00 0.00 H new ATOM 0 HB3 TYR A 28 0.522 -5.581 8.058 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -2.462 -6.880 9.797 1.00 0.00 H new ATOM 0 HD2 TYR A 28 1.732 -7.333 9.223 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -2.560 -9.105 10.834 1.00 0.00 H new ATOM 0 HE2 TYR A 28 1.638 -9.557 10.247 1.00 0.00 H new ATOM 0 HH TYR A 28 0.376 -11.104 11.195 1.00 0.00 H new ATOM 215 N MET A 29 -0.203 -2.588 8.247 1.00 0.00 N ATOM 216 CA MET A 29 0.248 -1.395 7.540 1.00 0.00 C ATOM 217 C MET A 29 0.628 -0.293 8.521 1.00 0.00 C ATOM 218 O MET A 29 1.537 0.492 8.263 1.00 0.00 O ATOM 219 CB MET A 29 -0.840 -0.894 6.580 1.00 0.00 C ATOM 220 CG MET A 29 -0.903 -1.657 5.262 1.00 0.00 C ATOM 221 SD MET A 29 -0.996 -3.443 5.465 1.00 0.00 S ATOM 222 CE MET A 29 -1.089 -3.958 3.758 1.00 0.00 C ATOM 0 H MET A 29 -1.164 -2.858 8.038 1.00 0.00 H new ATOM 0 HA MET A 29 1.132 -1.661 6.961 1.00 0.00 H new ATOM 0 HB2 MET A 29 -1.808 -0.965 7.076 1.00 0.00 H new ATOM 0 HB3 MET A 29 -0.666 0.161 6.369 1.00 0.00 H new ATOM 0 HG2 MET A 29 -1.772 -1.318 4.697 1.00 0.00 H new ATOM 0 HG3 MET A 29 -0.022 -1.413 4.668 1.00 0.00 H new ATOM 0 HE1 MET A 29 -2.041 -4.457 3.580 1.00 0.00 H new ATOM 0 HE2 MET A 29 -1.010 -3.085 3.110 1.00 0.00 H new ATOM 0 HE3 MET A 29 -0.272 -4.646 3.541 1.00 0.00 H new ATOM 232 N LYS A 30 -0.052 -0.250 9.657 1.00 0.00 N ATOM 233 CA LYS A 30 0.235 0.756 10.666 1.00 0.00 C ATOM 234 C LYS A 30 1.526 0.459 11.418 1.00 0.00 C ATOM 235 O LYS A 30 2.190 1.377 11.901 1.00 0.00 O ATOM 236 CB LYS A 30 -0.939 0.917 11.633 1.00 0.00 C ATOM 237 CG LYS A 30 -1.900 2.025 11.221 1.00 0.00 C ATOM 238 CD LYS A 30 -1.189 3.370 11.118 1.00 0.00 C ATOM 239 CE LYS A 30 -2.099 4.451 10.566 1.00 0.00 C ATOM 240 NZ LYS A 30 -1.375 5.736 10.392 1.00 0.00 N ATOM 0 H LYS A 30 -0.802 -0.896 9.902 1.00 0.00 H new ATOM 0 HA LYS A 30 0.377 1.702 10.144 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -1.484 -0.025 11.695 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -0.555 1.129 12.631 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -2.353 1.777 10.261 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -2.710 2.095 11.947 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -0.829 3.667 12.103 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -0.314 3.270 10.476 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -2.507 4.130 9.608 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -2.943 4.596 11.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -2.062 6.511 10.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -0.772 5.910 11.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -0.784 5.688 9.538 1.00 0.00 H new ATOM 254 N ILE A 31 1.897 -0.807 11.522 1.00 0.00 N ATOM 255 CA ILE A 31 3.188 -1.136 12.105 1.00 0.00 C ATOM 256 C ILE A 31 4.246 -1.176 11.017 1.00 0.00 C ATOM 257 O ILE A 31 5.429 -1.116 11.306 1.00 0.00 O ATOM 258 CB ILE A 31 3.189 -2.463 12.886 1.00 0.00 C ATOM 259 CG1 ILE A 31 3.013 -3.653 11.942 1.00 0.00 C ATOM 260 CG2 ILE A 31 2.109 -2.442 13.956 1.00 0.00 C ATOM 261 CD1 ILE A 31 2.906 -4.984 12.651 1.00 0.00 C ATOM 0 H ILE A 31 1.339 -1.606 11.219 1.00 0.00 H new ATOM 0 HA ILE A 31 3.413 -0.352 12.828 1.00 0.00 H new ATOM 0 HB ILE A 31 4.155 -2.577 13.378 1.00 0.00 H new ATOM 0 HG12 ILE A 31 2.117 -3.499 11.341 1.00 0.00 H new ATOM 0 HG13 ILE A 31 3.857 -3.686 11.253 1.00 0.00 H new ATOM 0 HG21 ILE A 31 2.119 -3.385 14.502 1.00 0.00 H new ATOM 0 HG22 ILE A 31 2.298 -1.621 14.647 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.135 -2.305 13.487 1.00 0.00 H new ATOM 0 HD11 ILE A 31 2.783 -5.779 11.916 1.00 0.00 H new ATOM 0 HD12 ILE A 31 3.812 -5.162 13.230 1.00 0.00 H new ATOM 0 HD13 ILE A 31 2.045 -4.972 13.320 1.00 0.00 H new ATOM 273 N LEU A 32 3.804 -1.297 9.768 1.00 0.00 N ATOM 274 CA LEU A 32 4.676 -1.127 8.613 1.00 0.00 C ATOM 275 C LEU A 32 5.189 0.305 8.628 1.00 0.00 C ATOM 276 O LEU A 32 6.394 0.552 8.573 1.00 0.00 O ATOM 277 CB LEU A 32 3.886 -1.411 7.323 1.00 0.00 C ATOM 278 CG LEU A 32 4.696 -1.587 6.027 1.00 0.00 C ATOM 279 CD1 LEU A 32 3.792 -2.120 4.928 1.00 0.00 C ATOM 280 CD2 LEU A 32 5.328 -0.277 5.575 1.00 0.00 C ATOM 0 H LEU A 32 2.836 -1.515 9.530 1.00 0.00 H new ATOM 0 HA LEU A 32 5.516 -1.821 8.652 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.298 -2.315 7.479 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.180 -0.594 7.172 1.00 0.00 H new ATOM 0 HG LEU A 32 5.499 -2.296 6.229 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.368 -2.244 4.011 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.380 -3.083 5.231 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.978 -1.416 4.753 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.891 -0.443 4.657 1.00 0.00 H new ATOM 0 HD22 LEU A 32 4.546 0.460 5.393 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.999 0.090 6.351 1.00 0.00 H new ATOM 292 N GLU A 33 4.232 1.225 8.720 1.00 0.00 N ATOM 293 CA GLU A 33 4.487 2.646 8.897 1.00 0.00 C ATOM 294 C GLU A 33 5.598 2.871 9.917 1.00 0.00 C ATOM 295 O GLU A 33 6.607 3.519 9.636 1.00 0.00 O ATOM 296 CB GLU A 33 3.201 3.290 9.396 1.00 0.00 C ATOM 297 CG GLU A 33 3.015 4.719 8.958 1.00 0.00 C ATOM 298 CD GLU A 33 1.738 5.323 9.498 1.00 0.00 C ATOM 299 OE1 GLU A 33 1.669 5.595 10.714 1.00 0.00 O ATOM 300 OE2 GLU A 33 0.793 5.533 8.711 1.00 0.00 O ATOM 0 H GLU A 33 3.239 0.996 8.672 1.00 0.00 H new ATOM 0 HA GLU A 33 4.802 3.086 7.951 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.353 2.701 9.045 1.00 0.00 H new ATOM 0 HB3 GLU A 33 3.187 3.251 10.485 1.00 0.00 H new ATOM 0 HG2 GLU A 33 3.865 5.313 9.293 1.00 0.00 H new ATOM 0 HG3 GLU A 33 3.004 4.764 7.869 1.00 0.00 H new ATOM 307 N GLU A 34 5.392 2.305 11.094 1.00 0.00 N ATOM 308 CA GLU A 34 6.341 2.394 12.189 1.00 0.00 C ATOM 309 C GLU A 34 7.657 1.685 11.862 1.00 0.00 C ATOM 310 O GLU A 34 8.724 2.284 11.927 1.00 0.00 O ATOM 311 CB GLU A 34 5.705 1.777 13.438 1.00 0.00 C ATOM 312 CG GLU A 34 6.685 1.475 14.558 1.00 0.00 C ATOM 313 CD GLU A 34 6.024 0.771 15.723 1.00 0.00 C ATOM 314 OE1 GLU A 34 5.851 -0.464 15.651 1.00 0.00 O ATOM 315 OE2 GLU A 34 5.684 1.443 16.720 1.00 0.00 O ATOM 0 H GLU A 34 4.555 1.767 11.318 1.00 0.00 H new ATOM 0 HA GLU A 34 6.578 3.444 12.361 1.00 0.00 H new ATOM 0 HB2 GLU A 34 4.940 2.456 13.814 1.00 0.00 H new ATOM 0 HB3 GLU A 34 5.200 0.854 13.155 1.00 0.00 H new ATOM 0 HG2 GLU A 34 7.494 0.855 14.173 1.00 0.00 H new ATOM 0 HG3 GLU A 34 7.134 2.405 14.906 1.00 0.00 H new ATOM 322 N ALA A 35 7.558 0.421 11.474 1.00 0.00 N ATOM 323 CA ALA A 35 8.713 -0.469 11.375 1.00 0.00 C ATOM 324 C ALA A 35 9.734 -0.002 10.347 1.00 0.00 C ATOM 325 O ALA A 35 10.936 -0.143 10.562 1.00 0.00 O ATOM 326 CB ALA A 35 8.257 -1.883 11.053 1.00 0.00 C ATOM 0 H ALA A 35 6.674 -0.020 11.218 1.00 0.00 H new ATOM 0 HA ALA A 35 9.210 -0.452 12.345 1.00 0.00 H new ATOM 0 HB1 ALA A 35 9.125 -2.538 10.981 1.00 0.00 H new ATOM 0 HB2 ALA A 35 7.597 -2.241 11.843 1.00 0.00 H new ATOM 0 HB3 ALA A 35 7.722 -1.885 10.104 1.00 0.00 H new ATOM 332 N MET A 36 9.262 0.553 9.239 1.00 0.00 N ATOM 333 CA MET A 36 10.155 0.982 8.168 1.00 0.00 C ATOM 334 C MET A 36 11.128 2.053 8.653 1.00 0.00 C ATOM 335 O MET A 36 12.318 2.009 8.340 1.00 0.00 O ATOM 336 CB MET A 36 9.349 1.499 6.974 1.00 0.00 C ATOM 337 CG MET A 36 8.571 0.423 6.230 1.00 0.00 C ATOM 338 SD MET A 36 9.557 -0.500 5.024 1.00 0.00 S ATOM 339 CE MET A 36 10.594 -1.518 6.072 1.00 0.00 C ATOM 0 H MET A 36 8.272 0.717 9.057 1.00 0.00 H new ATOM 0 HA MET A 36 10.737 0.116 7.852 1.00 0.00 H new ATOM 0 HB2 MET A 36 8.651 2.259 7.324 1.00 0.00 H new ATOM 0 HB3 MET A 36 10.029 1.988 6.276 1.00 0.00 H new ATOM 0 HG2 MET A 36 8.155 -0.277 6.955 1.00 0.00 H new ATOM 0 HG3 MET A 36 7.729 0.888 5.716 1.00 0.00 H new ATOM 0 HE1 MET A 36 10.744 -2.490 5.602 1.00 0.00 H new ATOM 0 HE2 MET A 36 11.559 -1.031 6.213 1.00 0.00 H new ATOM 0 HE3 MET A 36 10.111 -1.654 7.040 1.00 0.00 H new ATOM 349 N GLU A 37 10.620 3.010 9.415 1.00 0.00 N ATOM 350 CA GLU A 37 11.451 4.094 9.926 1.00 0.00 C ATOM 351 C GLU A 37 11.997 3.743 11.314 1.00 0.00 C ATOM 352 O GLU A 37 12.934 4.371 11.803 1.00 0.00 O ATOM 353 CB GLU A 37 10.639 5.394 9.957 1.00 0.00 C ATOM 354 CG GLU A 37 11.453 6.650 9.664 1.00 0.00 C ATOM 355 CD GLU A 37 12.205 7.175 10.869 1.00 0.00 C ATOM 356 OE1 GLU A 37 11.555 7.693 11.804 1.00 0.00 O ATOM 357 OE2 GLU A 37 13.447 7.089 10.883 1.00 0.00 O ATOM 0 H GLU A 37 9.640 3.060 9.693 1.00 0.00 H new ATOM 0 HA GLU A 37 12.305 4.237 9.264 1.00 0.00 H new ATOM 0 HB2 GLU A 37 9.831 5.321 9.229 1.00 0.00 H new ATOM 0 HB3 GLU A 37 10.176 5.496 10.938 1.00 0.00 H new ATOM 0 HG2 GLU A 37 12.164 6.435 8.867 1.00 0.00 H new ATOM 0 HG3 GLU A 37 10.786 7.428 9.294 1.00 0.00 H new ATOM 364 N ASN A 38 11.411 2.726 11.939 1.00 0.00 N ATOM 365 CA ASN A 38 11.818 2.305 13.282 1.00 0.00 C ATOM 366 C ASN A 38 13.251 1.798 13.262 1.00 0.00 C ATOM 367 O ASN A 38 14.006 1.989 14.216 1.00 0.00 O ATOM 368 CB ASN A 38 10.891 1.209 13.818 1.00 0.00 C ATOM 369 CG ASN A 38 11.153 0.874 15.277 1.00 0.00 C ATOM 370 OD1 ASN A 38 11.506 1.741 16.078 1.00 0.00 O ATOM 371 ND2 ASN A 38 10.983 -0.390 15.632 1.00 0.00 N ATOM 0 H ASN A 38 10.651 2.175 11.539 1.00 0.00 H new ATOM 0 HA ASN A 38 11.750 3.170 13.941 1.00 0.00 H new ATOM 0 HB2 ASN A 38 9.855 1.529 13.704 1.00 0.00 H new ATOM 0 HB3 ASN A 38 11.015 0.309 13.216 1.00 0.00 H new ATOM 0 HD21 ASN A 38 11.145 -0.675 16.598 1.00 0.00 H new ATOM 0 HD22 ASN A 38 10.690 -1.079 14.940 1.00 0.00 H new ATOM 378 N ASP A 39 13.619 1.146 12.170 1.00 0.00 N ATOM 379 CA ASP A 39 14.994 0.730 11.969 1.00 0.00 C ATOM 380 C ASP A 39 15.859 1.955 11.718 1.00 0.00 C ATOM 381 O ASP A 39 15.594 2.738 10.804 1.00 0.00 O ATOM 382 CB ASP A 39 15.104 -0.257 10.803 1.00 0.00 C ATOM 383 CG ASP A 39 14.550 -1.625 11.153 1.00 0.00 C ATOM 384 OD1 ASP A 39 15.263 -2.412 11.814 1.00 0.00 O ATOM 385 OD2 ASP A 39 13.399 -1.924 10.773 1.00 0.00 O ATOM 0 H ASP A 39 12.984 0.895 11.412 1.00 0.00 H new ATOM 0 HA ASP A 39 15.344 0.220 12.866 1.00 0.00 H new ATOM 0 HB2 ASP A 39 14.567 0.140 9.942 1.00 0.00 H new ATOM 0 HB3 ASP A 39 16.149 -0.355 10.510 1.00 0.00 H new ATOM 390 N THR A 40 16.882 2.118 12.545 1.00 0.00 N ATOM 391 CA THR A 40 17.713 3.314 12.540 1.00 0.00 C ATOM 392 C THR A 40 18.419 3.534 11.204 1.00 0.00 C ATOM 393 O THR A 40 18.790 4.660 10.870 1.00 0.00 O ATOM 394 CB THR A 40 18.760 3.240 13.657 1.00 0.00 C ATOM 395 OG1 THR A 40 18.618 2.004 14.371 1.00 0.00 O ATOM 396 CG2 THR A 40 18.599 4.405 14.616 1.00 0.00 C ATOM 0 H THR A 40 17.160 1.424 13.239 1.00 0.00 H new ATOM 0 HA THR A 40 17.044 4.158 12.706 1.00 0.00 H new ATOM 0 HB THR A 40 19.752 3.291 13.209 1.00 0.00 H new ATOM 0 HG1 THR A 40 19.290 1.959 15.083 1.00 0.00 H new ATOM 0 HG21 THR A 40 19.351 4.336 15.402 1.00 0.00 H new ATOM 0 HG22 THR A 40 18.726 5.342 14.074 1.00 0.00 H new ATOM 0 HG23 THR A 40 17.605 4.375 15.061 1.00 0.00 H new ATOM 404 N GLU A 41 18.610 2.462 10.448 1.00 0.00 N ATOM 405 CA GLU A 41 19.235 2.540 9.150 1.00 0.00 C ATOM 406 C GLU A 41 18.295 3.137 8.102 1.00 0.00 C ATOM 407 O GLU A 41 18.756 3.585 7.053 1.00 0.00 O ATOM 408 CB GLU A 41 19.675 1.144 8.736 1.00 0.00 C ATOM 409 CG GLU A 41 20.807 0.587 9.585 1.00 0.00 C ATOM 410 CD GLU A 41 21.313 -0.750 9.082 1.00 0.00 C ATOM 411 OE1 GLU A 41 20.741 -1.792 9.464 1.00 0.00 O ATOM 412 OE2 GLU A 41 22.283 -0.765 8.298 1.00 0.00 O ATOM 0 H GLU A 41 18.334 1.519 10.723 1.00 0.00 H new ATOM 0 HA GLU A 41 20.099 3.202 9.216 1.00 0.00 H new ATOM 0 HB2 GLU A 41 18.821 0.470 8.796 1.00 0.00 H new ATOM 0 HB3 GLU A 41 19.991 1.166 7.693 1.00 0.00 H new ATOM 0 HG2 GLU A 41 21.631 1.301 9.598 1.00 0.00 H new ATOM 0 HG3 GLU A 41 20.464 0.477 10.614 1.00 0.00 H new ATOM 419 N ASN A 42 16.988 3.149 8.412 1.00 0.00 N ATOM 420 CA ASN A 42 15.939 3.691 7.531 1.00 0.00 C ATOM 421 C ASN A 42 16.248 3.466 6.051 1.00 0.00 C ATOM 422 O ASN A 42 16.527 4.398 5.296 1.00 0.00 O ATOM 423 CB ASN A 42 15.658 5.180 7.832 1.00 0.00 C ATOM 424 CG ASN A 42 16.879 6.084 7.738 1.00 0.00 C ATOM 425 OD1 ASN A 42 17.180 6.643 6.685 1.00 0.00 O ATOM 426 ND2 ASN A 42 17.577 6.256 8.848 1.00 0.00 N ATOM 0 H ASN A 42 16.626 2.779 9.291 1.00 0.00 H new ATOM 0 HA ASN A 42 15.028 3.133 7.749 1.00 0.00 H new ATOM 0 HB2 ASN A 42 14.900 5.541 7.137 1.00 0.00 H new ATOM 0 HB3 ASN A 42 15.237 5.262 8.834 1.00 0.00 H new ATOM 0 HD21 ASN A 42 18.393 6.868 8.848 1.00 0.00 H new ATOM 0 HD22 ASN A 42 17.299 5.777 9.704 1.00 0.00 H new ATOM 433 N LEU A 43 16.165 2.207 5.634 1.00 0.00 N ATOM 434 CA LEU A 43 16.470 1.822 4.259 1.00 0.00 C ATOM 435 C LEU A 43 15.402 2.329 3.292 1.00 0.00 C ATOM 436 O LEU A 43 15.481 2.089 2.087 1.00 0.00 O ATOM 437 CB LEU A 43 16.586 0.298 4.153 1.00 0.00 C ATOM 438 CG LEU A 43 17.663 -0.345 5.032 1.00 0.00 C ATOM 439 CD1 LEU A 43 17.630 -1.857 4.891 1.00 0.00 C ATOM 440 CD2 LEU A 43 19.043 0.191 4.675 1.00 0.00 C ATOM 0 H LEU A 43 15.887 1.430 6.233 1.00 0.00 H new ATOM 0 HA LEU A 43 17.421 2.278 3.985 1.00 0.00 H new ATOM 0 HB2 LEU A 43 15.622 -0.141 4.411 1.00 0.00 H new ATOM 0 HB3 LEU A 43 16.787 0.038 3.114 1.00 0.00 H new ATOM 0 HG LEU A 43 17.454 -0.087 6.070 1.00 0.00 H new ATOM 0 HD11 LEU A 43 18.401 -2.298 5.522 1.00 0.00 H new ATOM 0 HD12 LEU A 43 16.653 -2.230 5.198 1.00 0.00 H new ATOM 0 HD13 LEU A 43 17.812 -2.130 3.851 1.00 0.00 H new ATOM 0 HD21 LEU A 43 19.792 -0.280 5.312 1.00 0.00 H new ATOM 0 HD22 LEU A 43 19.262 -0.033 3.631 1.00 0.00 H new ATOM 0 HD23 LEU A 43 19.064 1.270 4.826 1.00 0.00 H new ATOM 452 N ILE A 44 14.417 3.045 3.826 1.00 0.00 N ATOM 453 CA ILE A 44 13.302 3.545 3.033 1.00 0.00 C ATOM 454 C ILE A 44 13.782 4.513 1.949 1.00 0.00 C ATOM 455 O ILE A 44 13.206 4.582 0.865 1.00 0.00 O ATOM 456 CB ILE A 44 12.252 4.261 3.917 1.00 0.00 C ATOM 457 CG1 ILE A 44 10.949 4.429 3.146 1.00 0.00 C ATOM 458 CG2 ILE A 44 12.756 5.621 4.391 1.00 0.00 C ATOM 459 CD1 ILE A 44 9.881 3.433 3.532 1.00 0.00 C ATOM 0 H ILE A 44 14.370 3.293 4.814 1.00 0.00 H new ATOM 0 HA ILE A 44 12.839 2.677 2.563 1.00 0.00 H new ATOM 0 HB ILE A 44 12.076 3.642 4.797 1.00 0.00 H new ATOM 0 HG12 ILE A 44 10.569 5.437 3.309 1.00 0.00 H new ATOM 0 HG13 ILE A 44 11.154 4.334 2.080 1.00 0.00 H new ATOM 0 HG21 ILE A 44 11.994 6.096 5.009 1.00 0.00 H new ATOM 0 HG22 ILE A 44 13.666 5.488 4.975 1.00 0.00 H new ATOM 0 HG23 ILE A 44 12.968 6.252 3.528 1.00 0.00 H new ATOM 0 HD11 ILE A 44 8.983 3.615 2.941 1.00 0.00 H new ATOM 0 HD12 ILE A 44 10.241 2.422 3.343 1.00 0.00 H new ATOM 0 HD13 ILE A 44 9.647 3.543 4.591 1.00 0.00 H new ATOM 471 N GLU A 45 14.858 5.239 2.237 1.00 0.00 N ATOM 472 CA GLU A 45 15.324 6.286 1.342 1.00 0.00 C ATOM 473 C GLU A 45 15.973 5.705 0.096 1.00 0.00 C ATOM 474 O GLU A 45 16.072 6.374 -0.933 1.00 0.00 O ATOM 475 CB GLU A 45 16.307 7.207 2.052 1.00 0.00 C ATOM 476 CG GLU A 45 15.733 7.873 3.287 1.00 0.00 C ATOM 477 CD GLU A 45 16.635 8.962 3.814 1.00 0.00 C ATOM 478 OE1 GLU A 45 17.813 8.672 4.108 1.00 0.00 O ATOM 479 OE2 GLU A 45 16.171 10.115 3.926 1.00 0.00 O ATOM 0 H GLU A 45 15.420 5.120 3.080 1.00 0.00 H new ATOM 0 HA GLU A 45 14.451 6.863 1.038 1.00 0.00 H new ATOM 0 HB2 GLU A 45 17.189 6.633 2.336 1.00 0.00 H new ATOM 0 HB3 GLU A 45 16.638 7.977 1.355 1.00 0.00 H new ATOM 0 HG2 GLU A 45 14.756 8.295 3.050 1.00 0.00 H new ATOM 0 HG3 GLU A 45 15.577 7.124 4.063 1.00 0.00 H new ATOM 486 N LYS A 46 16.394 4.457 0.190 1.00 0.00 N ATOM 487 CA LYS A 46 17.059 3.786 -0.915 1.00 0.00 C ATOM 488 C LYS A 46 16.052 3.449 -2.011 1.00 0.00 C ATOM 489 O LYS A 46 16.415 3.215 -3.165 1.00 0.00 O ATOM 490 CB LYS A 46 17.750 2.528 -0.402 1.00 0.00 C ATOM 491 CG LYS A 46 18.725 2.838 0.719 1.00 0.00 C ATOM 492 CD LYS A 46 19.083 1.608 1.529 1.00 0.00 C ATOM 493 CE LYS A 46 20.010 0.690 0.765 1.00 0.00 C ATOM 494 NZ LYS A 46 21.345 1.307 0.542 1.00 0.00 N ATOM 0 H LYS A 46 16.287 3.883 1.026 1.00 0.00 H new ATOM 0 HA LYS A 46 17.811 4.448 -1.344 1.00 0.00 H new ATOM 0 HB2 LYS A 46 17.001 1.821 -0.047 1.00 0.00 H new ATOM 0 HB3 LYS A 46 18.281 2.045 -1.222 1.00 0.00 H new ATOM 0 HG2 LYS A 46 19.633 3.270 0.298 1.00 0.00 H new ATOM 0 HG3 LYS A 46 18.290 3.590 1.378 1.00 0.00 H new ATOM 0 HD2 LYS A 46 19.558 1.911 2.462 1.00 0.00 H new ATOM 0 HD3 LYS A 46 18.174 1.069 1.795 1.00 0.00 H new ATOM 0 HE2 LYS A 46 20.129 -0.244 1.314 1.00 0.00 H new ATOM 0 HE3 LYS A 46 19.561 0.439 -0.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 22.037 0.564 0.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 21.289 1.980 -0.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 21.644 1.808 1.403 1.00 0.00 H new ATOM 508 N VAL A 47 14.783 3.433 -1.627 1.00 0.00 N ATOM 509 CA VAL A 47 13.690 3.149 -2.544 1.00 0.00 C ATOM 510 C VAL A 47 12.583 4.186 -2.424 1.00 0.00 C ATOM 511 O VAL A 47 11.406 3.846 -2.547 1.00 0.00 O ATOM 512 CB VAL A 47 13.097 1.741 -2.333 1.00 0.00 C ATOM 513 CG1 VAL A 47 13.897 0.711 -3.099 1.00 0.00 C ATOM 514 CG2 VAL A 47 13.053 1.374 -0.858 1.00 0.00 C ATOM 0 H VAL A 47 14.483 3.617 -0.670 1.00 0.00 H new ATOM 0 HA VAL A 47 14.117 3.192 -3.546 1.00 0.00 H new ATOM 0 HB VAL A 47 12.075 1.752 -2.711 1.00 0.00 H new ATOM 0 HG11 VAL A 47 13.465 -0.277 -2.939 1.00 0.00 H new ATOM 0 HG12 VAL A 47 13.874 0.950 -4.162 1.00 0.00 H new ATOM 0 HG13 VAL A 47 14.929 0.717 -2.748 1.00 0.00 H new ATOM 0 HG21 VAL A 47 12.630 0.376 -0.744 1.00 0.00 H new ATOM 0 HG22 VAL A 47 14.063 1.389 -0.449 1.00 0.00 H new ATOM 0 HG23 VAL A 47 12.434 2.094 -0.322 1.00 0.00 H new ATOM 524 N ARG A 48 12.965 5.436 -2.133 1.00 0.00 N ATOM 525 CA ARG A 48 11.997 6.525 -1.991 1.00 0.00 C ATOM 526 C ARG A 48 10.969 6.516 -3.107 1.00 0.00 C ATOM 527 O ARG A 48 11.269 6.828 -4.260 1.00 0.00 O ATOM 528 CB ARG A 48 12.676 7.889 -1.963 1.00 0.00 C ATOM 529 CG ARG A 48 13.276 8.240 -0.622 1.00 0.00 C ATOM 530 CD ARG A 48 13.541 9.734 -0.531 1.00 0.00 C ATOM 531 NE ARG A 48 14.149 10.131 0.739 1.00 0.00 N ATOM 532 CZ ARG A 48 14.001 11.341 1.280 1.00 0.00 C ATOM 533 NH1 ARG A 48 13.249 12.249 0.674 1.00 0.00 N ATOM 534 NH2 ARG A 48 14.608 11.649 2.417 1.00 0.00 N ATOM 0 H ARG A 48 13.936 5.715 -1.992 1.00 0.00 H new ATOM 0 HA ARG A 48 11.495 6.355 -1.039 1.00 0.00 H new ATOM 0 HB2 ARG A 48 13.461 7.910 -2.719 1.00 0.00 H new ATOM 0 HB3 ARG A 48 11.949 8.653 -2.237 1.00 0.00 H new ATOM 0 HG2 ARG A 48 12.599 7.936 0.176 1.00 0.00 H new ATOM 0 HG3 ARG A 48 14.206 7.690 -0.478 1.00 0.00 H new ATOM 0 HD2 ARG A 48 14.196 10.032 -1.350 1.00 0.00 H new ATOM 0 HD3 ARG A 48 12.602 10.272 -0.662 1.00 0.00 H new ATOM 0 HE ARG A 48 14.717 9.446 1.237 1.00 0.00 H new ATOM 0 HH11 ARG A 48 12.784 12.022 -0.205 1.00 0.00 H new ATOM 0 HH12 ARG A 48 13.135 13.175 1.087 1.00 0.00 H new ATOM 0 HH21 ARG A 48 15.194 10.958 2.886 1.00 0.00 H new ATOM 0 HH22 ARG A 48 14.489 12.577 2.823 1.00 0.00 H new ATOM 548 N GLY A 49 9.758 6.181 -2.735 1.00 0.00 N ATOM 549 CA GLY A 49 8.687 6.044 -3.694 1.00 0.00 C ATOM 550 C GLY A 49 7.374 5.774 -3.012 1.00 0.00 C ATOM 551 O GLY A 49 7.325 5.623 -1.800 1.00 0.00 O ATOM 0 H GLY A 49 9.487 5.997 -1.769 1.00 0.00 H new ATOM 0 HA2 GLY A 49 8.610 6.954 -4.289 1.00 0.00 H new ATOM 0 HA3 GLY A 49 8.915 5.231 -4.383 1.00 0.00 H new ATOM 555 N ILE A 50 6.305 5.724 -3.768 1.00 0.00 N ATOM 556 CA ILE A 50 4.997 5.516 -3.187 1.00 0.00 C ATOM 557 C ILE A 50 4.473 4.122 -3.494 1.00 0.00 C ATOM 558 O ILE A 50 4.397 3.708 -4.651 1.00 0.00 O ATOM 559 CB ILE A 50 4.016 6.596 -3.662 1.00 0.00 C ATOM 560 CG1 ILE A 50 4.541 7.958 -3.214 1.00 0.00 C ATOM 561 CG2 ILE A 50 2.617 6.339 -3.121 1.00 0.00 C ATOM 562 CD1 ILE A 50 3.685 9.124 -3.631 1.00 0.00 C ATOM 0 H ILE A 50 6.312 5.824 -4.783 1.00 0.00 H new ATOM 0 HA ILE A 50 5.091 5.598 -2.104 1.00 0.00 H new ATOM 0 HB ILE A 50 3.944 6.574 -4.749 1.00 0.00 H new ATOM 0 HG12 ILE A 50 4.631 7.959 -2.128 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.544 8.097 -3.617 1.00 0.00 H new ATOM 0 HG21 ILE A 50 1.942 7.119 -3.473 1.00 0.00 H new ATOM 0 HG22 ILE A 50 2.264 5.369 -3.471 1.00 0.00 H new ATOM 0 HG23 ILE A 50 2.642 6.345 -2.031 1.00 0.00 H new ATOM 0 HD11 ILE A 50 4.132 10.051 -3.271 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.615 9.153 -4.718 1.00 0.00 H new ATOM 0 HD13 ILE A 50 2.687 9.013 -3.206 1.00 0.00 H new ATOM 574 N TYR A 51 4.127 3.408 -2.438 1.00 0.00 N ATOM 575 CA TYR A 51 3.681 2.028 -2.540 1.00 0.00 C ATOM 576 C TYR A 51 2.176 1.954 -2.320 1.00 0.00 C ATOM 577 O TYR A 51 1.688 2.212 -1.220 1.00 0.00 O ATOM 578 CB TYR A 51 4.409 1.153 -1.508 1.00 0.00 C ATOM 579 CG TYR A 51 5.908 1.054 -1.719 1.00 0.00 C ATOM 580 CD1 TYR A 51 6.722 2.180 -1.639 1.00 0.00 C ATOM 581 CD2 TYR A 51 6.508 -0.164 -2.004 1.00 0.00 C ATOM 582 CE1 TYR A 51 8.085 2.091 -1.839 1.00 0.00 C ATOM 583 CE2 TYR A 51 7.870 -0.260 -2.208 1.00 0.00 C ATOM 584 CZ TYR A 51 8.654 0.869 -2.123 1.00 0.00 C ATOM 585 OH TYR A 51 10.008 0.778 -2.334 1.00 0.00 O ATOM 0 H TYR A 51 4.147 3.768 -1.484 1.00 0.00 H new ATOM 0 HA TYR A 51 3.915 1.655 -3.537 1.00 0.00 H new ATOM 0 HB2 TYR A 51 4.220 1.553 -0.512 1.00 0.00 H new ATOM 0 HB3 TYR A 51 3.983 0.150 -1.535 1.00 0.00 H new ATOM 0 HD1 TYR A 51 6.280 3.140 -1.417 1.00 0.00 H new ATOM 0 HD2 TYR A 51 5.898 -1.053 -2.067 1.00 0.00 H new ATOM 0 HE1 TYR A 51 8.702 2.975 -1.773 1.00 0.00 H new ATOM 0 HE2 TYR A 51 8.319 -1.216 -2.433 1.00 0.00 H new ATOM 0 HH TYR A 51 10.248 -0.154 -2.521 1.00 0.00 H new ATOM 595 N GLY A 52 1.447 1.626 -3.371 1.00 0.00 N ATOM 596 CA GLY A 52 0.008 1.528 -3.270 1.00 0.00 C ATOM 597 C GLY A 52 -0.435 0.118 -2.964 1.00 0.00 C ATOM 598 O GLY A 52 -0.045 -0.822 -3.653 1.00 0.00 O ATOM 0 H GLY A 52 1.827 1.425 -4.296 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.349 2.199 -2.489 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.446 1.857 -4.205 1.00 0.00 H new ATOM 602 N PHE A 53 -1.232 -0.042 -1.926 1.00 0.00 N ATOM 603 CA PHE A 53 -1.708 -1.362 -1.542 1.00 0.00 C ATOM 604 C PHE A 53 -3.201 -1.516 -1.785 1.00 0.00 C ATOM 605 O PHE A 53 -4.025 -1.005 -1.024 1.00 0.00 O ATOM 606 CB PHE A 53 -1.381 -1.649 -0.078 1.00 0.00 C ATOM 607 CG PHE A 53 -0.102 -2.417 0.111 1.00 0.00 C ATOM 608 CD1 PHE A 53 1.128 -1.815 -0.097 1.00 0.00 C ATOM 609 CD2 PHE A 53 -0.135 -3.746 0.500 1.00 0.00 C ATOM 610 CE1 PHE A 53 2.302 -2.524 0.080 1.00 0.00 C ATOM 611 CE2 PHE A 53 1.033 -4.460 0.680 1.00 0.00 C ATOM 612 CZ PHE A 53 2.253 -3.849 0.471 1.00 0.00 C ATOM 0 H PHE A 53 -1.564 0.720 -1.334 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.191 -2.088 -2.170 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.312 -0.705 0.463 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -2.202 -2.211 0.366 1.00 0.00 H new ATOM 0 HD1 PHE A 53 1.171 -0.780 -0.401 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -1.086 -4.230 0.665 1.00 0.00 H new ATOM 0 HE1 PHE A 53 3.255 -2.044 -0.087 1.00 0.00 H new ATOM 0 HE2 PHE A 53 0.992 -5.496 0.984 1.00 0.00 H new ATOM 0 HZ PHE A 53 3.168 -4.405 0.613 1.00 0.00 H new ATOM 622 N LYS A 54 -3.535 -2.217 -2.858 1.00 0.00 N ATOM 623 CA LYS A 54 -4.914 -2.568 -3.156 1.00 0.00 C ATOM 624 C LYS A 54 -5.255 -3.882 -2.464 1.00 0.00 C ATOM 625 O LYS A 54 -4.862 -4.956 -2.928 1.00 0.00 O ATOM 626 CB LYS A 54 -5.121 -2.699 -4.669 1.00 0.00 C ATOM 627 CG LYS A 54 -5.084 -1.381 -5.425 1.00 0.00 C ATOM 628 CD LYS A 54 -5.393 -1.576 -6.906 1.00 0.00 C ATOM 629 CE LYS A 54 -4.329 -2.411 -7.605 1.00 0.00 C ATOM 630 NZ LYS A 54 -4.630 -2.613 -9.048 1.00 0.00 N ATOM 0 H LYS A 54 -2.861 -2.557 -3.544 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.572 -1.780 -2.790 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -4.352 -3.357 -5.073 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -6.081 -3.182 -4.851 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -5.806 -0.690 -4.990 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -4.100 -0.925 -5.315 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -6.363 -2.061 -7.013 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -5.468 -0.603 -7.392 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -3.361 -1.921 -7.503 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -4.250 -3.380 -7.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -3.879 -3.187 -9.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -5.542 -3.104 -9.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -4.680 -1.690 -9.525 1.00 0.00 H new ATOM 644 N VAL A 55 -5.967 -3.795 -1.353 1.00 0.00 N ATOM 645 CA VAL A 55 -6.228 -4.961 -0.524 1.00 0.00 C ATOM 646 C VAL A 55 -7.642 -5.493 -0.747 1.00 0.00 C ATOM 647 O VAL A 55 -8.625 -4.769 -0.607 1.00 0.00 O ATOM 648 CB VAL A 55 -6.023 -4.639 0.969 1.00 0.00 C ATOM 649 CG1 VAL A 55 -6.122 -5.898 1.809 1.00 0.00 C ATOM 650 CG2 VAL A 55 -4.682 -3.955 1.188 1.00 0.00 C ATOM 0 H VAL A 55 -6.375 -2.928 -1.003 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.515 -5.731 -0.818 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.813 -3.957 1.283 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -5.974 -5.647 2.859 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.107 -6.346 1.678 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -5.356 -6.607 1.494 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -4.555 -3.735 2.248 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -3.879 -4.613 0.855 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -4.650 -3.026 0.618 1.00 0.00 H new ATOM 660 N ARG A 56 -7.723 -6.769 -1.082 1.00 0.00 N ATOM 661 CA ARG A 56 -8.984 -7.410 -1.435 1.00 0.00 C ATOM 662 C ARG A 56 -9.420 -8.393 -0.351 1.00 0.00 C ATOM 663 O ARG A 56 -8.690 -8.616 0.609 1.00 0.00 O ATOM 664 CB ARG A 56 -8.804 -8.136 -2.767 1.00 0.00 C ATOM 665 CG ARG A 56 -8.348 -7.217 -3.890 1.00 0.00 C ATOM 666 CD ARG A 56 -7.812 -7.994 -5.081 1.00 0.00 C ATOM 667 NE ARG A 56 -6.526 -8.644 -4.800 1.00 0.00 N ATOM 668 CZ ARG A 56 -6.172 -9.830 -5.301 1.00 0.00 C ATOM 669 NH1 ARG A 56 -7.071 -10.592 -5.906 1.00 0.00 N ATOM 670 NH2 ARG A 56 -4.927 -10.272 -5.165 1.00 0.00 N ATOM 0 H ARG A 56 -6.917 -7.393 -1.118 1.00 0.00 H new ATOM 0 HA ARG A 56 -9.762 -6.652 -1.524 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -8.075 -8.937 -2.642 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -9.747 -8.605 -3.049 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -9.183 -6.594 -4.210 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -7.574 -6.546 -3.517 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -8.540 -8.750 -5.374 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -7.696 -7.318 -5.928 1.00 0.00 H new ATOM 0 HE ARG A 56 -5.867 -8.163 -4.188 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -8.036 -10.273 -5.990 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -6.798 -11.498 -6.288 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -4.235 -9.705 -4.676 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -4.663 -11.179 -5.550 1.00 0.00 H new ATOM 684 N ASN A 57 -10.608 -8.975 -0.517 1.00 0.00 N ATOM 685 CA ASN A 57 -11.127 -9.999 0.404 1.00 0.00 C ATOM 686 C ASN A 57 -11.281 -9.461 1.822 1.00 0.00 C ATOM 687 O ASN A 57 -10.817 -10.075 2.787 1.00 0.00 O ATOM 688 CB ASN A 57 -10.227 -11.237 0.438 1.00 0.00 C ATOM 689 CG ASN A 57 -10.240 -12.037 -0.854 1.00 0.00 C ATOM 690 OD1 ASN A 57 -10.436 -11.498 -1.947 1.00 0.00 O ATOM 691 ND2 ASN A 57 -10.029 -13.337 -0.732 1.00 0.00 N ATOM 0 H ASN A 57 -11.238 -8.755 -1.288 1.00 0.00 H new ATOM 0 HA ASN A 57 -12.109 -10.280 0.022 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -9.204 -10.926 0.652 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -10.542 -11.882 1.258 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -10.024 -13.933 -1.560 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -9.871 -13.744 0.190 1.00 0.00 H new ATOM 698 N GLY A 58 -11.913 -8.309 1.943 1.00 0.00 N ATOM 699 CA GLY A 58 -12.205 -7.758 3.250 1.00 0.00 C ATOM 700 C GLY A 58 -13.383 -8.451 3.918 1.00 0.00 C ATOM 701 O GLY A 58 -13.734 -9.569 3.537 1.00 0.00 O ATOM 0 H GLY A 58 -12.232 -7.741 1.158 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -11.324 -7.850 3.886 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -12.419 -6.694 3.154 1.00 0.00 H new ATOM 705 N PRO A 59 -14.011 -7.797 4.914 1.00 0.00 N ATOM 706 CA PRO A 59 -15.132 -8.361 5.680 1.00 0.00 C ATOM 707 C PRO A 59 -16.144 -9.116 4.817 1.00 0.00 C ATOM 708 O PRO A 59 -16.342 -10.319 4.983 1.00 0.00 O ATOM 709 CB PRO A 59 -15.786 -7.127 6.290 1.00 0.00 C ATOM 710 CG PRO A 59 -14.692 -6.124 6.430 1.00 0.00 C ATOM 711 CD PRO A 59 -13.650 -6.450 5.392 1.00 0.00 C ATOM 0 HA PRO A 59 -14.785 -9.099 6.403 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -16.585 -6.750 5.651 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -16.233 -7.357 7.257 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -15.076 -5.114 6.285 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -14.262 -6.161 7.431 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -13.660 -5.725 4.578 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -12.647 -6.436 5.819 1.00 0.00 H new ATOM 719 N ASN A 60 -16.764 -8.410 3.882 1.00 0.00 N ATOM 720 CA ASN A 60 -17.724 -9.025 2.977 1.00 0.00 C ATOM 721 C ASN A 60 -17.314 -8.752 1.536 1.00 0.00 C ATOM 722 O ASN A 60 -18.006 -8.055 0.794 1.00 0.00 O ATOM 723 CB ASN A 60 -19.134 -8.489 3.259 1.00 0.00 C ATOM 724 CG ASN A 60 -20.218 -9.199 2.463 1.00 0.00 C ATOM 725 OD1 ASN A 60 -20.613 -8.753 1.384 1.00 0.00 O ATOM 726 ND2 ASN A 60 -20.709 -10.308 2.989 1.00 0.00 N ATOM 0 H ASN A 60 -16.619 -7.412 3.730 1.00 0.00 H new ATOM 0 HA ASN A 60 -17.735 -10.103 3.137 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -19.348 -8.592 4.323 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -19.163 -7.424 3.029 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -21.440 -10.825 2.499 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -20.357 -10.647 3.884 1.00 0.00 H new ATOM 733 N GLY A 61 -16.156 -9.279 1.155 1.00 0.00 N ATOM 734 CA GLY A 61 -15.637 -9.045 -0.179 1.00 0.00 C ATOM 735 C GLY A 61 -15.260 -7.593 -0.378 1.00 0.00 C ATOM 736 O GLY A 61 -15.292 -7.073 -1.494 1.00 0.00 O ATOM 0 H GLY A 61 -15.567 -9.865 1.747 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -14.764 -9.675 -0.347 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -16.385 -9.333 -0.918 1.00 0.00 H new ATOM 740 N ALA A 62 -14.927 -6.934 0.723 1.00 0.00 N ATOM 741 CA ALA A 62 -14.569 -5.525 0.701 1.00 0.00 C ATOM 742 C ALA A 62 -13.150 -5.328 0.197 1.00 0.00 C ATOM 743 O ALA A 62 -12.302 -6.207 0.325 1.00 0.00 O ATOM 744 CB ALA A 62 -14.732 -4.922 2.088 1.00 0.00 C ATOM 0 H ALA A 62 -14.898 -7.358 1.650 1.00 0.00 H new ATOM 0 HA ALA A 62 -15.241 -5.013 0.013 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -14.461 -3.867 2.060 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -15.769 -5.022 2.409 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -14.083 -5.445 2.791 1.00 0.00 H new ATOM 750 N GLU A 63 -12.909 -4.168 -0.381 1.00 0.00 N ATOM 751 CA GLU A 63 -11.613 -3.846 -0.939 1.00 0.00 C ATOM 752 C GLU A 63 -11.120 -2.500 -0.433 1.00 0.00 C ATOM 753 O GLU A 63 -11.694 -1.453 -0.740 1.00 0.00 O ATOM 754 CB GLU A 63 -11.700 -3.860 -2.460 1.00 0.00 C ATOM 755 CG GLU A 63 -11.419 -5.224 -3.054 1.00 0.00 C ATOM 756 CD GLU A 63 -11.899 -5.359 -4.480 1.00 0.00 C ATOM 757 OE1 GLU A 63 -11.333 -4.700 -5.373 1.00 0.00 O ATOM 758 OE2 GLU A 63 -12.845 -6.144 -4.714 1.00 0.00 O ATOM 0 H GLU A 63 -13.603 -3.426 -0.476 1.00 0.00 H new ATOM 0 HA GLU A 63 -10.891 -4.597 -0.617 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -12.695 -3.534 -2.765 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -10.990 -3.139 -2.866 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -10.347 -5.415 -3.018 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -11.900 -5.987 -2.441 1.00 0.00 H new ATOM 765 N GLY A 64 -10.060 -2.546 0.354 1.00 0.00 N ATOM 766 CA GLY A 64 -9.483 -1.343 0.902 1.00 0.00 C ATOM 767 C GLY A 64 -8.254 -0.930 0.131 1.00 0.00 C ATOM 768 O GLY A 64 -7.703 -1.722 -0.635 1.00 0.00 O ATOM 0 H GLY A 64 -9.585 -3.407 0.625 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -10.219 -0.539 0.877 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -9.223 -1.505 1.948 1.00 0.00 H new ATOM 772 N TYR A 65 -7.813 0.298 0.327 1.00 0.00 N ATOM 773 CA TYR A 65 -6.687 0.812 -0.422 1.00 0.00 C ATOM 774 C TYR A 65 -5.881 1.801 0.415 1.00 0.00 C ATOM 775 O TYR A 65 -6.387 2.853 0.813 1.00 0.00 O ATOM 776 CB TYR A 65 -7.189 1.472 -1.710 1.00 0.00 C ATOM 777 CG TYR A 65 -6.092 2.022 -2.583 1.00 0.00 C ATOM 778 CD1 TYR A 65 -5.007 1.238 -2.946 1.00 0.00 C ATOM 779 CD2 TYR A 65 -6.139 3.330 -3.040 1.00 0.00 C ATOM 780 CE1 TYR A 65 -3.997 1.742 -3.737 1.00 0.00 C ATOM 781 CE2 TYR A 65 -5.135 3.842 -3.831 1.00 0.00 C ATOM 782 CZ TYR A 65 -4.065 3.045 -4.178 1.00 0.00 C ATOM 783 OH TYR A 65 -3.063 3.554 -4.970 1.00 0.00 O ATOM 0 H TYR A 65 -8.216 0.954 0.996 1.00 0.00 H new ATOM 0 HA TYR A 65 -6.026 -0.016 -0.680 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -7.762 0.742 -2.281 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -7.872 2.280 -1.450 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -4.953 0.215 -2.603 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -6.976 3.957 -2.771 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -3.158 1.119 -4.009 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -5.186 4.863 -4.178 1.00 0.00 H new ATOM 0 HH TYR A 65 -3.265 4.486 -5.194 1.00 0.00 H new ATOM 793 N TRP A 66 -4.627 1.455 0.681 1.00 0.00 N ATOM 794 CA TRP A 66 -3.743 2.316 1.454 1.00 0.00 C ATOM 795 C TRP A 66 -2.543 2.705 0.616 1.00 0.00 C ATOM 796 O TRP A 66 -2.088 1.940 -0.236 1.00 0.00 O ATOM 797 CB TRP A 66 -3.260 1.651 2.755 1.00 0.00 C ATOM 798 CG TRP A 66 -4.343 1.376 3.757 1.00 0.00 C ATOM 799 CD1 TRP A 66 -4.603 2.093 4.888 1.00 0.00 C ATOM 800 CD2 TRP A 66 -5.297 0.307 3.733 1.00 0.00 C ATOM 801 NE1 TRP A 66 -5.661 1.542 5.565 1.00 0.00 N ATOM 802 CE2 TRP A 66 -6.105 0.445 4.877 1.00 0.00 C ATOM 803 CE3 TRP A 66 -5.552 -0.749 2.856 1.00 0.00 C ATOM 804 CZ2 TRP A 66 -7.144 -0.436 5.165 1.00 0.00 C ATOM 805 CZ3 TRP A 66 -6.584 -1.619 3.145 1.00 0.00 C ATOM 806 CH2 TRP A 66 -7.369 -1.458 4.289 1.00 0.00 C ATOM 0 H TRP A 66 -4.200 0.582 0.372 1.00 0.00 H new ATOM 0 HA TRP A 66 -4.318 3.200 1.729 1.00 0.00 H new ATOM 0 HB2 TRP A 66 -2.767 0.711 2.506 1.00 0.00 H new ATOM 0 HB3 TRP A 66 -2.509 2.292 3.218 1.00 0.00 H new ATOM 0 HD1 TRP A 66 -4.055 2.968 5.205 1.00 0.00 H new ATOM 0 HE1 TRP A 66 -6.053 1.893 6.439 1.00 0.00 H new ATOM 0 HE3 TRP A 66 -4.953 -0.883 1.968 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 -7.750 -0.315 6.050 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 -6.788 -2.440 2.474 1.00 0.00 H new ATOM 0 HH2 TRP A 66 -8.170 -2.156 4.484 1.00 0.00 H new ATOM 817 N VAL A 67 -2.046 3.897 0.853 1.00 0.00 N ATOM 818 CA VAL A 67 -0.893 4.409 0.146 1.00 0.00 C ATOM 819 C VAL A 67 0.262 4.640 1.109 1.00 0.00 C ATOM 820 O VAL A 67 0.164 5.462 2.019 1.00 0.00 O ATOM 821 CB VAL A 67 -1.246 5.722 -0.581 1.00 0.00 C ATOM 822 CG1 VAL A 67 -0.003 6.494 -0.967 1.00 0.00 C ATOM 823 CG2 VAL A 67 -2.083 5.438 -1.814 1.00 0.00 C ATOM 0 H VAL A 67 -2.431 4.542 1.544 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.589 3.669 -0.595 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.824 6.335 0.110 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -0.290 7.414 -1.477 1.00 0.00 H new ATOM 0 HG12 VAL A 67 0.566 6.739 -0.070 1.00 0.00 H new ATOM 0 HG13 VAL A 67 0.611 5.886 -1.632 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -2.323 6.376 -2.315 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -1.523 4.796 -2.494 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -3.005 4.937 -1.520 1.00 0.00 H new ATOM 833 N ILE A 68 1.339 3.892 0.924 1.00 0.00 N ATOM 834 CA ILE A 68 2.536 4.070 1.729 1.00 0.00 C ATOM 835 C ILE A 68 3.463 5.061 1.039 1.00 0.00 C ATOM 836 O ILE A 68 4.121 4.731 0.048 1.00 0.00 O ATOM 837 CB ILE A 68 3.295 2.738 1.977 1.00 0.00 C ATOM 838 CG1 ILE A 68 2.437 1.742 2.769 1.00 0.00 C ATOM 839 CG2 ILE A 68 4.604 2.996 2.711 1.00 0.00 C ATOM 840 CD1 ILE A 68 1.405 1.010 1.938 1.00 0.00 C ATOM 0 H ILE A 68 1.408 3.155 0.222 1.00 0.00 H new ATOM 0 HA ILE A 68 2.221 4.448 2.702 1.00 0.00 H new ATOM 0 HB ILE A 68 3.513 2.299 1.004 1.00 0.00 H new ATOM 0 HG12 ILE A 68 3.093 1.010 3.240 1.00 0.00 H new ATOM 0 HG13 ILE A 68 1.928 2.276 3.571 1.00 0.00 H new ATOM 0 HG21 ILE A 68 5.121 2.051 2.876 1.00 0.00 H new ATOM 0 HG22 ILE A 68 5.233 3.655 2.112 1.00 0.00 H new ATOM 0 HG23 ILE A 68 4.396 3.468 3.671 1.00 0.00 H new ATOM 0 HD11 ILE A 68 0.843 0.327 2.575 1.00 0.00 H new ATOM 0 HD12 ILE A 68 0.722 1.731 1.488 1.00 0.00 H new ATOM 0 HD13 ILE A 68 1.905 0.444 1.152 1.00 0.00 H new ATOM 852 N ASN A 69 3.492 6.281 1.547 1.00 0.00 N ATOM 853 CA ASN A 69 4.312 7.325 0.964 1.00 0.00 C ATOM 854 C ASN A 69 5.730 7.243 1.509 1.00 0.00 C ATOM 855 O ASN A 69 6.024 7.737 2.600 1.00 0.00 O ATOM 856 CB ASN A 69 3.721 8.710 1.258 1.00 0.00 C ATOM 857 CG ASN A 69 4.395 9.817 0.460 1.00 0.00 C ATOM 858 OD1 ASN A 69 5.578 9.734 0.124 1.00 0.00 O ATOM 859 ND2 ASN A 69 3.647 10.863 0.150 1.00 0.00 N ATOM 0 H ASN A 69 2.955 6.572 2.364 1.00 0.00 H new ATOM 0 HA ASN A 69 4.333 7.179 -0.116 1.00 0.00 H new ATOM 0 HB2 ASN A 69 2.655 8.701 1.031 1.00 0.00 H new ATOM 0 HB3 ASN A 69 3.819 8.924 2.322 1.00 0.00 H new ATOM 0 HD21 ASN A 69 4.046 11.635 -0.384 1.00 0.00 H new ATOM 0 HD22 ASN A 69 2.671 10.898 0.445 1.00 0.00 H new ATOM 866 N ALA A 70 6.601 6.615 0.740 1.00 0.00 N ATOM 867 CA ALA A 70 8.011 6.557 1.067 1.00 0.00 C ATOM 868 C ALA A 70 8.769 7.580 0.230 1.00 0.00 C ATOM 869 O ALA A 70 9.984 7.721 0.348 1.00 0.00 O ATOM 870 CB ALA A 70 8.553 5.159 0.825 1.00 0.00 C ATOM 0 H ALA A 70 6.351 6.134 -0.124 1.00 0.00 H new ATOM 0 HA ALA A 70 8.145 6.793 2.123 1.00 0.00 H new ATOM 0 HB1 ALA A 70 9.614 5.132 1.075 1.00 0.00 H new ATOM 0 HB2 ALA A 70 8.014 4.447 1.450 1.00 0.00 H new ATOM 0 HB3 ALA A 70 8.421 4.894 -0.224 1.00 0.00 H new ATOM 876 N LYS A 71 8.024 8.296 -0.615 1.00 0.00 N ATOM 877 CA LYS A 71 8.587 9.320 -1.489 1.00 0.00 C ATOM 878 C LYS A 71 9.266 10.404 -0.664 1.00 0.00 C ATOM 879 O LYS A 71 10.340 10.893 -1.010 1.00 0.00 O ATOM 880 CB LYS A 71 7.467 9.933 -2.335 1.00 0.00 C ATOM 881 CG LYS A 71 7.932 10.963 -3.352 1.00 0.00 C ATOM 882 CD LYS A 71 8.640 10.316 -4.535 1.00 0.00 C ATOM 883 CE LYS A 71 7.688 9.452 -5.354 1.00 0.00 C ATOM 884 NZ LYS A 71 8.350 8.849 -6.541 1.00 0.00 N ATOM 0 H LYS A 71 7.015 8.180 -0.710 1.00 0.00 H new ATOM 0 HA LYS A 71 9.331 8.864 -2.142 1.00 0.00 H new ATOM 0 HB2 LYS A 71 6.947 9.132 -2.861 1.00 0.00 H new ATOM 0 HB3 LYS A 71 6.742 10.401 -1.669 1.00 0.00 H new ATOM 0 HG2 LYS A 71 7.074 11.532 -3.710 1.00 0.00 H new ATOM 0 HG3 LYS A 71 8.606 11.671 -2.869 1.00 0.00 H new ATOM 0 HD2 LYS A 71 9.068 11.090 -5.171 1.00 0.00 H new ATOM 0 HD3 LYS A 71 9.468 9.705 -4.175 1.00 0.00 H new ATOM 0 HE2 LYS A 71 7.287 8.659 -4.723 1.00 0.00 H new ATOM 0 HE3 LYS A 71 6.842 10.057 -5.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 7.628 8.565 -7.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 8.990 9.546 -6.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 8.896 8.014 -6.247 1.00 0.00 H new ATOM 898 N GLU A 72 8.626 10.757 0.441 1.00 0.00 N ATOM 899 CA GLU A 72 9.132 11.785 1.342 1.00 0.00 C ATOM 900 C GLU A 72 10.305 11.263 2.164 1.00 0.00 C ATOM 901 O GLU A 72 11.026 12.031 2.794 1.00 0.00 O ATOM 902 CB GLU A 72 8.017 12.220 2.287 1.00 0.00 C ATOM 903 CG GLU A 72 6.729 12.591 1.589 1.00 0.00 C ATOM 904 CD GLU A 72 5.589 12.778 2.565 1.00 0.00 C ATOM 905 OE1 GLU A 72 5.065 11.764 3.072 1.00 0.00 O ATOM 906 OE2 GLU A 72 5.213 13.936 2.839 1.00 0.00 O ATOM 0 H GLU A 72 7.744 10.341 0.739 1.00 0.00 H new ATOM 0 HA GLU A 72 9.474 12.629 0.743 1.00 0.00 H new ATOM 0 HB2 GLU A 72 7.817 11.413 2.992 1.00 0.00 H new ATOM 0 HB3 GLU A 72 8.361 13.074 2.870 1.00 0.00 H new ATOM 0 HG2 GLU A 72 6.876 13.511 1.022 1.00 0.00 H new ATOM 0 HG3 GLU A 72 6.468 11.813 0.872 1.00 0.00 H new ATOM 913 N GLY A 73 10.485 9.952 2.152 1.00 0.00 N ATOM 914 CA GLY A 73 11.467 9.332 3.017 1.00 0.00 C ATOM 915 C GLY A 73 10.880 9.030 4.378 1.00 0.00 C ATOM 916 O GLY A 73 11.591 8.660 5.311 1.00 0.00 O ATOM 0 H GLY A 73 9.968 9.304 1.558 1.00 0.00 H new ATOM 0 HA2 GLY A 73 11.828 8.410 2.561 1.00 0.00 H new ATOM 0 HA3 GLY A 73 12.328 9.992 3.127 1.00 0.00 H new ATOM 920 N LYS A 74 9.568 9.195 4.480 1.00 0.00 N ATOM 921 CA LYS A 74 8.856 8.962 5.726 1.00 0.00 C ATOM 922 C LYS A 74 8.384 7.518 5.819 1.00 0.00 C ATOM 923 O LYS A 74 8.763 6.790 6.737 1.00 0.00 O ATOM 924 CB LYS A 74 7.659 9.912 5.839 1.00 0.00 C ATOM 925 CG LYS A 74 8.044 11.382 5.948 1.00 0.00 C ATOM 926 CD LYS A 74 8.847 11.674 7.210 1.00 0.00 C ATOM 927 CE LYS A 74 8.077 11.304 8.470 1.00 0.00 C ATOM 928 NZ LYS A 74 8.795 11.714 9.706 1.00 0.00 N ATOM 0 H LYS A 74 8.972 9.492 3.707 1.00 0.00 H new ATOM 0 HA LYS A 74 9.543 9.154 6.550 1.00 0.00 H new ATOM 0 HB2 LYS A 74 7.018 9.778 4.967 1.00 0.00 H new ATOM 0 HB3 LYS A 74 7.070 9.635 6.713 1.00 0.00 H new ATOM 0 HG2 LYS A 74 8.628 11.669 5.073 1.00 0.00 H new ATOM 0 HG3 LYS A 74 7.142 11.994 5.944 1.00 0.00 H new ATOM 0 HD2 LYS A 74 9.784 11.118 7.181 1.00 0.00 H new ATOM 0 HD3 LYS A 74 9.105 12.733 7.240 1.00 0.00 H new ATOM 0 HE2 LYS A 74 7.096 11.778 8.447 1.00 0.00 H new ATOM 0 HE3 LYS A 74 7.910 10.227 8.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 8.235 11.443 10.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 9.721 11.242 9.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 8.932 12.745 9.702 1.00 0.00 H new ATOM 942 N GLY A 75 7.560 7.099 4.866 1.00 0.00 N ATOM 943 CA GLY A 75 7.052 5.745 4.891 1.00 0.00 C ATOM 944 C GLY A 75 5.710 5.651 5.589 1.00 0.00 C ATOM 945 O GLY A 75 5.436 4.671 6.280 1.00 0.00 O ATOM 0 H GLY A 75 7.238 7.669 4.084 1.00 0.00 H new ATOM 0 HA2 GLY A 75 6.955 5.376 3.870 1.00 0.00 H new ATOM 0 HA3 GLY A 75 7.769 5.099 5.397 1.00 0.00 H new ATOM 949 N LYS A 76 4.871 6.668 5.410 1.00 0.00 N ATOM 950 CA LYS A 76 3.591 6.717 6.106 1.00 0.00 C ATOM 951 C LYS A 76 2.487 6.164 5.217 1.00 0.00 C ATOM 952 O LYS A 76 2.509 6.358 4.003 1.00 0.00 O ATOM 953 CB LYS A 76 3.229 8.152 6.509 1.00 0.00 C ATOM 954 CG LYS A 76 2.914 9.071 5.332 1.00 0.00 C ATOM 955 CD LYS A 76 2.074 10.258 5.770 1.00 0.00 C ATOM 956 CE LYS A 76 1.583 11.081 4.588 1.00 0.00 C ATOM 957 NZ LYS A 76 2.641 11.953 4.016 1.00 0.00 N ATOM 0 H LYS A 76 5.053 7.461 4.795 1.00 0.00 H new ATOM 0 HA LYS A 76 3.685 6.110 7.006 1.00 0.00 H new ATOM 0 HB2 LYS A 76 2.366 8.124 7.175 1.00 0.00 H new ATOM 0 HB3 LYS A 76 4.056 8.578 7.077 1.00 0.00 H new ATOM 0 HG2 LYS A 76 3.843 9.425 4.885 1.00 0.00 H new ATOM 0 HG3 LYS A 76 2.383 8.511 4.562 1.00 0.00 H new ATOM 0 HD2 LYS A 76 1.218 9.903 6.344 1.00 0.00 H new ATOM 0 HD3 LYS A 76 2.662 10.892 6.433 1.00 0.00 H new ATOM 0 HE2 LYS A 76 1.213 10.410 3.813 1.00 0.00 H new ATOM 0 HE3 LYS A 76 0.742 11.698 4.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 2.257 12.478 3.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 2.966 12.625 4.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 3.441 11.368 3.702 1.00 0.00 H new ATOM 971 N VAL A 77 1.521 5.480 5.813 1.00 0.00 N ATOM 972 CA VAL A 77 0.443 4.898 5.038 1.00 0.00 C ATOM 973 C VAL A 77 -0.849 5.677 5.279 1.00 0.00 C ATOM 974 O VAL A 77 -1.188 6.026 6.413 1.00 0.00 O ATOM 975 CB VAL A 77 0.256 3.377 5.326 1.00 0.00 C ATOM 976 CG1 VAL A 77 1.516 2.773 5.927 1.00 0.00 C ATOM 977 CG2 VAL A 77 -0.943 3.091 6.213 1.00 0.00 C ATOM 0 H VAL A 77 1.464 5.317 6.818 1.00 0.00 H new ATOM 0 HA VAL A 77 0.710 4.975 3.984 1.00 0.00 H new ATOM 0 HB VAL A 77 0.064 2.904 4.363 1.00 0.00 H new ATOM 0 HG11 VAL A 77 1.356 1.712 6.117 1.00 0.00 H new ATOM 0 HG12 VAL A 77 2.346 2.896 5.231 1.00 0.00 H new ATOM 0 HG13 VAL A 77 1.750 3.278 6.864 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -1.024 2.017 6.380 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -0.817 3.598 7.169 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.849 3.452 5.727 1.00 0.00 H new ATOM 987 N THR A 78 -1.535 5.991 4.200 1.00 0.00 N ATOM 988 CA THR A 78 -2.755 6.768 4.266 1.00 0.00 C ATOM 989 C THR A 78 -3.811 6.173 3.343 1.00 0.00 C ATOM 990 O THR A 78 -3.496 5.692 2.254 1.00 0.00 O ATOM 991 CB THR A 78 -2.480 8.247 3.895 1.00 0.00 C ATOM 992 OG1 THR A 78 -3.707 8.966 3.712 1.00 0.00 O ATOM 993 CG2 THR A 78 -1.624 8.345 2.639 1.00 0.00 C ATOM 0 H THR A 78 -1.264 5.716 3.256 1.00 0.00 H new ATOM 0 HA THR A 78 -3.130 6.737 5.289 1.00 0.00 H new ATOM 0 HB THR A 78 -1.933 8.698 4.723 1.00 0.00 H new ATOM 0 HG1 THR A 78 -3.509 9.897 3.480 1.00 0.00 H new ATOM 0 HG21 THR A 78 -1.446 9.394 2.401 1.00 0.00 H new ATOM 0 HG22 THR A 78 -0.671 7.844 2.808 1.00 0.00 H new ATOM 0 HG23 THR A 78 -2.142 7.867 1.808 1.00 0.00 H new ATOM 1001 N TYR A 79 -5.056 6.179 3.800 1.00 0.00 N ATOM 1002 CA TYR A 79 -6.168 5.634 3.031 1.00 0.00 C ATOM 1003 C TYR A 79 -6.345 6.412 1.729 1.00 0.00 C ATOM 1004 O TYR A 79 -6.489 7.637 1.749 1.00 0.00 O ATOM 1005 CB TYR A 79 -7.451 5.681 3.867 1.00 0.00 C ATOM 1006 CG TYR A 79 -8.657 5.062 3.195 1.00 0.00 C ATOM 1007 CD1 TYR A 79 -8.848 3.684 3.199 1.00 0.00 C ATOM 1008 CD2 TYR A 79 -9.610 5.854 2.569 1.00 0.00 C ATOM 1009 CE1 TYR A 79 -9.956 3.117 2.598 1.00 0.00 C ATOM 1010 CE2 TYR A 79 -10.718 5.294 1.965 1.00 0.00 C ATOM 1011 CZ TYR A 79 -10.887 3.927 1.982 1.00 0.00 C ATOM 1012 OH TYR A 79 -11.994 3.369 1.385 1.00 0.00 O ATOM 0 H TYR A 79 -5.323 6.559 4.708 1.00 0.00 H new ATOM 0 HA TYR A 79 -5.952 4.596 2.780 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -7.273 5.168 4.812 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -7.677 6.720 4.106 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -8.119 3.048 3.679 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -9.482 6.926 2.554 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -10.092 2.046 2.611 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -11.449 5.925 1.481 1.00 0.00 H new ATOM 0 HH TYR A 79 -12.550 4.078 0.999 1.00 0.00 H new ATOM 1022 N ASN A 80 -6.297 5.684 0.610 1.00 0.00 N ATOM 1023 CA ASN A 80 -6.426 6.255 -0.740 1.00 0.00 C ATOM 1024 C ASN A 80 -5.174 7.036 -1.155 1.00 0.00 C ATOM 1025 O ASN A 80 -4.753 6.985 -2.313 1.00 0.00 O ATOM 1026 CB ASN A 80 -7.674 7.139 -0.862 1.00 0.00 C ATOM 1027 CG ASN A 80 -7.859 7.692 -2.264 1.00 0.00 C ATOM 1028 OD1 ASN A 80 -7.351 8.763 -2.594 1.00 0.00 O ATOM 1029 ND2 ASN A 80 -8.591 6.966 -3.095 1.00 0.00 N ATOM 0 H ASN A 80 -6.166 4.672 0.612 1.00 0.00 H new ATOM 0 HA ASN A 80 -6.536 5.414 -1.424 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -8.554 6.560 -0.584 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -7.600 7.966 -0.155 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -8.751 7.290 -4.049 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -8.994 6.083 -2.781 1.00 0.00 H new ATOM 1036 N GLY A 81 -4.590 7.757 -0.207 1.00 0.00 N ATOM 1037 CA GLY A 81 -3.353 8.482 -0.434 1.00 0.00 C ATOM 1038 C GLY A 81 -3.520 9.758 -1.233 1.00 0.00 C ATOM 1039 O GLY A 81 -2.908 10.774 -0.912 1.00 0.00 O ATOM 0 H GLY A 81 -4.962 7.854 0.738 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -2.906 8.726 0.530 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -2.652 7.829 -0.955 1.00 0.00 H new ATOM 1043 N GLY A 82 -4.342 9.710 -2.272 1.00 0.00 N ATOM 1044 CA GLY A 82 -4.511 10.858 -3.146 1.00 0.00 C ATOM 1045 C GLY A 82 -3.302 11.080 -4.038 1.00 0.00 C ATOM 1046 O GLY A 82 -3.268 12.014 -4.837 1.00 0.00 O ATOM 0 H GLY A 82 -4.898 8.894 -2.528 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -5.396 10.714 -3.765 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -4.685 11.749 -2.543 1.00 0.00 H new ATOM 1050 N GLU A 83 -2.311 10.209 -3.900 1.00 0.00 N ATOM 1051 CA GLU A 83 -1.073 10.312 -4.656 1.00 0.00 C ATOM 1052 C GLU A 83 -1.022 9.235 -5.726 1.00 0.00 C ATOM 1053 O GLU A 83 -1.815 8.291 -5.700 1.00 0.00 O ATOM 1054 CB GLU A 83 0.125 10.148 -3.723 1.00 0.00 C ATOM 1055 CG GLU A 83 0.134 11.120 -2.559 1.00 0.00 C ATOM 1056 CD GLU A 83 0.199 12.568 -3.001 1.00 0.00 C ATOM 1057 OE1 GLU A 83 0.955 12.874 -3.949 1.00 0.00 O ATOM 1058 OE2 GLU A 83 -0.493 13.411 -2.392 1.00 0.00 O ATOM 0 H GLU A 83 -2.344 9.414 -3.262 1.00 0.00 H new ATOM 0 HA GLU A 83 -1.036 11.294 -5.128 1.00 0.00 H new ATOM 0 HB2 GLU A 83 0.133 9.130 -3.334 1.00 0.00 H new ATOM 0 HB3 GLU A 83 1.042 10.277 -4.298 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -0.763 10.968 -1.959 1.00 0.00 H new ATOM 0 HG3 GLU A 83 0.988 10.903 -1.917 1.00 0.00 H new ATOM 1065 N LYS A 84 -0.091 9.369 -6.658 1.00 0.00 N ATOM 1066 CA LYS A 84 0.113 8.358 -7.681 1.00 0.00 C ATOM 1067 C LYS A 84 1.273 7.450 -7.287 1.00 0.00 C ATOM 1068 O LYS A 84 2.433 7.868 -7.299 1.00 0.00 O ATOM 1069 CB LYS A 84 0.374 9.012 -9.035 1.00 0.00 C ATOM 1070 CG LYS A 84 -0.783 9.877 -9.506 1.00 0.00 C ATOM 1071 CD LYS A 84 -0.668 10.262 -10.973 1.00 0.00 C ATOM 1072 CE LYS A 84 0.447 11.259 -11.234 1.00 0.00 C ATOM 1073 NZ LYS A 84 1.782 10.614 -11.337 1.00 0.00 N ATOM 0 H LYS A 84 0.536 10.171 -6.726 1.00 0.00 H new ATOM 0 HA LYS A 84 -0.790 7.754 -7.767 1.00 0.00 H new ATOM 0 HB2 LYS A 84 1.275 9.622 -8.971 1.00 0.00 H new ATOM 0 HB3 LYS A 84 0.567 8.237 -9.776 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -1.719 9.342 -9.347 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -0.826 10.782 -8.899 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -0.493 9.365 -11.567 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -1.614 10.686 -11.308 1.00 0.00 H new ATOM 0 HE2 LYS A 84 0.237 11.799 -12.157 1.00 0.00 H new ATOM 0 HE3 LYS A 84 0.465 11.996 -10.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 2.372 10.907 -10.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 1.670 9.580 -11.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 2.240 10.903 -12.225 1.00 0.00 H new ATOM 1087 N PRO A 85 0.967 6.201 -6.910 1.00 0.00 N ATOM 1088 CA PRO A 85 1.969 5.234 -6.452 1.00 0.00 C ATOM 1089 C PRO A 85 2.930 4.801 -7.550 1.00 0.00 C ATOM 1090 O PRO A 85 2.520 4.466 -8.665 1.00 0.00 O ATOM 1091 CB PRO A 85 1.136 4.033 -5.986 1.00 0.00 C ATOM 1092 CG PRO A 85 -0.254 4.548 -5.852 1.00 0.00 C ATOM 1093 CD PRO A 85 -0.387 5.635 -6.873 1.00 0.00 C ATOM 0 HA PRO A 85 2.601 5.667 -5.677 1.00 0.00 H new ATOM 0 HB2 PRO A 85 1.185 3.217 -6.707 1.00 0.00 H new ATOM 0 HB3 PRO A 85 1.504 3.643 -5.037 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -0.983 3.756 -6.027 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -0.434 4.931 -4.847 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -0.691 5.245 -7.844 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -1.130 6.378 -6.581 1.00 0.00 H new ATOM 1101 N ASP A 86 4.215 4.820 -7.216 1.00 0.00 N ATOM 1102 CA ASP A 86 5.262 4.332 -8.106 1.00 0.00 C ATOM 1103 C ASP A 86 5.088 2.838 -8.345 1.00 0.00 C ATOM 1104 O ASP A 86 5.285 2.348 -9.457 1.00 0.00 O ATOM 1105 CB ASP A 86 6.644 4.591 -7.500 1.00 0.00 C ATOM 1106 CG ASP A 86 6.948 6.060 -7.305 1.00 0.00 C ATOM 1107 OD1 ASP A 86 6.592 6.605 -6.243 1.00 0.00 O ATOM 1108 OD2 ASP A 86 7.557 6.678 -8.202 1.00 0.00 O ATOM 0 H ASP A 86 4.560 5.173 -6.323 1.00 0.00 H new ATOM 0 HA ASP A 86 5.183 4.865 -9.054 1.00 0.00 H new ATOM 0 HB2 ASP A 86 6.712 4.083 -6.538 1.00 0.00 H new ATOM 0 HB3 ASP A 86 7.404 4.153 -8.147 1.00 0.00 H new ATOM 1113 N VAL A 87 4.729 2.117 -7.286 1.00 0.00 N ATOM 1114 CA VAL A 87 4.439 0.693 -7.382 1.00 0.00 C ATOM 1115 C VAL A 87 3.184 0.345 -6.589 1.00 0.00 C ATOM 1116 O VAL A 87 3.007 0.797 -5.460 1.00 0.00 O ATOM 1117 CB VAL A 87 5.625 -0.191 -6.910 1.00 0.00 C ATOM 1118 CG1 VAL A 87 6.730 -0.191 -7.939 1.00 0.00 C ATOM 1119 CG2 VAL A 87 6.183 0.249 -5.569 1.00 0.00 C ATOM 0 H VAL A 87 4.632 2.501 -6.346 1.00 0.00 H new ATOM 0 HA VAL A 87 4.273 0.479 -8.438 1.00 0.00 H new ATOM 0 HB VAL A 87 5.231 -1.200 -6.790 1.00 0.00 H new ATOM 0 HG11 VAL A 87 7.552 -0.816 -7.590 1.00 0.00 H new ATOM 0 HG12 VAL A 87 6.350 -0.585 -8.881 1.00 0.00 H new ATOM 0 HG13 VAL A 87 7.087 0.828 -8.089 1.00 0.00 H new ATOM 0 HG21 VAL A 87 7.010 -0.403 -5.287 1.00 0.00 H new ATOM 0 HG22 VAL A 87 6.540 1.276 -5.643 1.00 0.00 H new ATOM 0 HG23 VAL A 87 5.401 0.191 -4.812 1.00 0.00 H new ATOM 1129 N THR A 88 2.306 -0.439 -7.197 1.00 0.00 N ATOM 1130 CA THR A 88 1.055 -0.825 -6.561 1.00 0.00 C ATOM 1131 C THR A 88 0.938 -2.345 -6.483 1.00 0.00 C ATOM 1132 O THR A 88 1.178 -3.042 -7.470 1.00 0.00 O ATOM 1133 CB THR A 88 -0.154 -0.263 -7.337 1.00 0.00 C ATOM 1134 OG1 THR A 88 0.032 1.139 -7.580 1.00 0.00 O ATOM 1135 CG2 THR A 88 -1.453 -0.478 -6.566 1.00 0.00 C ATOM 0 H THR A 88 2.438 -0.822 -8.133 1.00 0.00 H new ATOM 0 HA THR A 88 1.056 -0.410 -5.553 1.00 0.00 H new ATOM 0 HB THR A 88 -0.224 -0.796 -8.285 1.00 0.00 H new ATOM 0 HG1 THR A 88 -0.738 1.490 -8.074 1.00 0.00 H new ATOM 0 HG21 THR A 88 -2.287 -0.072 -7.138 1.00 0.00 H new ATOM 0 HG22 THR A 88 -1.609 -1.545 -6.406 1.00 0.00 H new ATOM 0 HG23 THR A 88 -1.393 0.029 -5.603 1.00 0.00 H new ATOM 1143 N PHE A 89 0.576 -2.847 -5.309 1.00 0.00 N ATOM 1144 CA PHE A 89 0.414 -4.279 -5.094 1.00 0.00 C ATOM 1145 C PHE A 89 -1.057 -4.607 -4.869 1.00 0.00 C ATOM 1146 O PHE A 89 -1.755 -3.886 -4.161 1.00 0.00 O ATOM 1147 CB PHE A 89 1.222 -4.746 -3.876 1.00 0.00 C ATOM 1148 CG PHE A 89 2.675 -4.369 -3.919 1.00 0.00 C ATOM 1149 CD1 PHE A 89 3.085 -3.097 -3.557 1.00 0.00 C ATOM 1150 CD2 PHE A 89 3.631 -5.290 -4.314 1.00 0.00 C ATOM 1151 CE1 PHE A 89 4.419 -2.749 -3.590 1.00 0.00 C ATOM 1152 CE2 PHE A 89 4.969 -4.947 -4.350 1.00 0.00 C ATOM 1153 CZ PHE A 89 5.363 -3.674 -3.987 1.00 0.00 C ATOM 0 H PHE A 89 0.388 -2.277 -4.484 1.00 0.00 H new ATOM 0 HA PHE A 89 0.780 -4.796 -5.981 1.00 0.00 H new ATOM 0 HB2 PHE A 89 0.776 -4.325 -2.975 1.00 0.00 H new ATOM 0 HB3 PHE A 89 1.142 -5.830 -3.795 1.00 0.00 H new ATOM 0 HD1 PHE A 89 2.351 -2.369 -3.245 1.00 0.00 H new ATOM 0 HD2 PHE A 89 3.327 -6.287 -4.597 1.00 0.00 H new ATOM 0 HE1 PHE A 89 4.725 -1.753 -3.305 1.00 0.00 H new ATOM 0 HE2 PHE A 89 5.705 -5.673 -4.661 1.00 0.00 H new ATOM 0 HZ PHE A 89 6.408 -3.403 -4.014 1.00 0.00 H new ATOM 1163 N THR A 90 -1.528 -5.676 -5.486 1.00 0.00 N ATOM 1164 CA THR A 90 -2.889 -6.135 -5.268 1.00 0.00 C ATOM 1165 C THR A 90 -2.876 -7.432 -4.464 1.00 0.00 C ATOM 1166 O THR A 90 -2.645 -8.511 -5.005 1.00 0.00 O ATOM 1167 CB THR A 90 -3.623 -6.360 -6.600 1.00 0.00 C ATOM 1168 OG1 THR A 90 -3.242 -5.343 -7.534 1.00 0.00 O ATOM 1169 CG2 THR A 90 -5.131 -6.319 -6.408 1.00 0.00 C ATOM 0 H THR A 90 -0.989 -6.242 -6.141 1.00 0.00 H new ATOM 0 HA THR A 90 -3.420 -5.363 -4.712 1.00 0.00 H new ATOM 0 HB THR A 90 -3.347 -7.344 -6.979 1.00 0.00 H new ATOM 0 HG1 THR A 90 -3.977 -5.183 -8.162 1.00 0.00 H new ATOM 0 HG21 THR A 90 -5.624 -6.481 -7.366 1.00 0.00 H new ATOM 0 HG22 THR A 90 -5.430 -7.100 -5.709 1.00 0.00 H new ATOM 0 HG23 THR A 90 -5.421 -5.346 -6.011 1.00 0.00 H new ATOM 1177 N ILE A 91 -3.119 -7.310 -3.172 1.00 0.00 N ATOM 1178 CA ILE A 91 -3.062 -8.433 -2.252 1.00 0.00 C ATOM 1179 C ILE A 91 -4.406 -8.571 -1.546 1.00 0.00 C ATOM 1180 O ILE A 91 -5.189 -7.631 -1.515 1.00 0.00 O ATOM 1181 CB ILE A 91 -1.937 -8.204 -1.211 1.00 0.00 C ATOM 1182 CG1 ILE A 91 -0.574 -8.144 -1.901 1.00 0.00 C ATOM 1183 CG2 ILE A 91 -1.937 -9.297 -0.158 1.00 0.00 C ATOM 1184 CD1 ILE A 91 0.527 -7.591 -1.024 1.00 0.00 C ATOM 0 H ILE A 91 -3.363 -6.425 -2.728 1.00 0.00 H new ATOM 0 HA ILE A 91 -2.847 -9.348 -2.805 1.00 0.00 H new ATOM 0 HB ILE A 91 -2.127 -7.251 -0.717 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -0.297 -9.146 -2.228 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -0.657 -7.528 -2.797 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -1.138 -9.111 0.559 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -2.896 -9.303 0.360 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -1.778 -10.263 -0.637 1.00 0.00 H new ATOM 0 HD11 ILE A 91 1.464 -7.579 -1.581 1.00 0.00 H new ATOM 0 HD12 ILE A 91 0.273 -6.576 -0.718 1.00 0.00 H new ATOM 0 HD13 ILE A 91 0.638 -8.219 -0.140 1.00 0.00 H new ATOM 1196 N SER A 92 -4.689 -9.743 -1.013 1.00 0.00 N ATOM 1197 CA SER A 92 -5.913 -9.954 -0.268 1.00 0.00 C ATOM 1198 C SER A 92 -5.635 -9.869 1.232 1.00 0.00 C ATOM 1199 O SER A 92 -4.609 -10.370 1.684 1.00 0.00 O ATOM 1200 CB SER A 92 -6.504 -11.312 -0.631 1.00 0.00 C ATOM 1201 OG SER A 92 -6.477 -11.507 -2.037 1.00 0.00 O ATOM 0 H SER A 92 -4.087 -10.564 -1.082 1.00 0.00 H new ATOM 0 HA SER A 92 -6.633 -9.178 -0.526 1.00 0.00 H new ATOM 0 HB2 SER A 92 -5.941 -12.104 -0.137 1.00 0.00 H new ATOM 0 HB3 SER A 92 -7.530 -11.377 -0.269 1.00 0.00 H new ATOM 0 HG SER A 92 -7.225 -12.081 -2.302 1.00 0.00 H new ATOM 1207 N ASP A 93 -6.524 -9.217 1.979 1.00 0.00 N ATOM 1208 CA ASP A 93 -6.353 -8.996 3.424 1.00 0.00 C ATOM 1209 C ASP A 93 -5.878 -10.258 4.125 1.00 0.00 C ATOM 1210 O ASP A 93 -4.878 -10.252 4.849 1.00 0.00 O ATOM 1211 CB ASP A 93 -7.689 -8.547 4.026 1.00 0.00 C ATOM 1212 CG ASP A 93 -7.654 -8.394 5.537 1.00 0.00 C ATOM 1213 OD1 ASP A 93 -7.957 -9.380 6.244 1.00 0.00 O ATOM 1214 OD2 ASP A 93 -7.363 -7.285 6.025 1.00 0.00 O ATOM 0 H ASP A 93 -7.387 -8.824 1.604 1.00 0.00 H new ATOM 0 HA ASP A 93 -5.596 -8.225 3.567 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -7.978 -7.596 3.579 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -8.459 -9.271 3.760 1.00 0.00 H new ATOM 1219 N GLU A 94 -6.585 -11.339 3.846 1.00 0.00 N ATOM 1220 CA GLU A 94 -6.343 -12.629 4.473 1.00 0.00 C ATOM 1221 C GLU A 94 -4.918 -13.120 4.217 1.00 0.00 C ATOM 1222 O GLU A 94 -4.313 -13.760 5.072 1.00 0.00 O ATOM 1223 CB GLU A 94 -7.347 -13.647 3.931 1.00 0.00 C ATOM 1224 CG GLU A 94 -8.755 -13.088 3.776 1.00 0.00 C ATOM 1225 CD GLU A 94 -9.758 -14.144 3.373 1.00 0.00 C ATOM 1226 OE1 GLU A 94 -10.268 -14.859 4.262 1.00 0.00 O ATOM 1227 OE2 GLU A 94 -10.037 -14.268 2.164 1.00 0.00 O ATOM 0 H GLU A 94 -7.350 -11.347 3.172 1.00 0.00 H new ATOM 0 HA GLU A 94 -6.466 -12.516 5.550 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -6.999 -14.008 2.963 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -7.378 -14.507 4.600 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -9.068 -12.635 4.717 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -8.747 -12.295 3.028 1.00 0.00 H new ATOM 1234 N ASP A 95 -4.389 -12.813 3.038 1.00 0.00 N ATOM 1235 CA ASP A 95 -3.058 -13.276 2.651 1.00 0.00 C ATOM 1236 C ASP A 95 -1.991 -12.264 3.044 1.00 0.00 C ATOM 1237 O ASP A 95 -0.816 -12.611 3.175 1.00 0.00 O ATOM 1238 CB ASP A 95 -2.986 -13.530 1.144 1.00 0.00 C ATOM 1239 CG ASP A 95 -4.080 -14.452 0.656 1.00 0.00 C ATOM 1240 OD1 ASP A 95 -4.029 -15.661 0.957 1.00 0.00 O ATOM 1241 OD2 ASP A 95 -4.997 -13.970 -0.039 1.00 0.00 O ATOM 0 H ASP A 95 -4.860 -12.246 2.333 1.00 0.00 H new ATOM 0 HA ASP A 95 -2.872 -14.210 3.180 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -3.055 -12.579 0.616 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -2.016 -13.962 0.898 1.00 0.00 H new ATOM 1246 N VAL A 96 -2.404 -11.011 3.230 1.00 0.00 N ATOM 1247 CA VAL A 96 -1.480 -9.941 3.590 1.00 0.00 C ATOM 1248 C VAL A 96 -0.757 -10.296 4.883 1.00 0.00 C ATOM 1249 O VAL A 96 0.421 -9.995 5.057 1.00 0.00 O ATOM 1250 CB VAL A 96 -2.213 -8.576 3.753 1.00 0.00 C ATOM 1251 CG1 VAL A 96 -2.283 -8.138 5.212 1.00 0.00 C ATOM 1252 CG2 VAL A 96 -1.558 -7.489 2.915 1.00 0.00 C ATOM 0 H VAL A 96 -3.375 -10.713 3.137 1.00 0.00 H new ATOM 0 HA VAL A 96 -0.758 -9.837 2.780 1.00 0.00 H new ATOM 0 HB VAL A 96 -3.231 -8.726 3.394 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -2.802 -7.182 5.280 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -2.824 -8.887 5.791 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -1.273 -8.032 5.609 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -2.095 -6.550 3.053 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -0.521 -7.363 3.228 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -1.588 -7.773 1.863 1.00 0.00 H new ATOM 1262 N VAL A 97 -1.468 -10.982 5.764 1.00 0.00 N ATOM 1263 CA VAL A 97 -0.959 -11.290 7.084 1.00 0.00 C ATOM 1264 C VAL A 97 0.210 -12.258 7.004 1.00 0.00 C ATOM 1265 O VAL A 97 1.086 -12.246 7.860 1.00 0.00 O ATOM 1266 CB VAL A 97 -2.067 -11.862 7.990 1.00 0.00 C ATOM 1267 CG1 VAL A 97 -3.279 -10.953 7.945 1.00 0.00 C ATOM 1268 CG2 VAL A 97 -2.449 -13.277 7.580 1.00 0.00 C ATOM 0 H VAL A 97 -2.407 -11.337 5.583 1.00 0.00 H new ATOM 0 HA VAL A 97 -0.606 -10.358 7.525 1.00 0.00 H new ATOM 0 HB VAL A 97 -1.685 -11.909 9.010 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -4.062 -11.358 8.586 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -3.001 -9.959 8.296 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -3.646 -10.887 6.921 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -3.233 -13.648 8.241 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -2.813 -13.272 6.552 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.576 -13.925 7.653 1.00 0.00 H new ATOM 1278 N ASP A 98 0.230 -13.078 5.961 1.00 0.00 N ATOM 1279 CA ASP A 98 1.323 -14.005 5.752 1.00 0.00 C ATOM 1280 C ASP A 98 2.459 -13.286 5.050 1.00 0.00 C ATOM 1281 O ASP A 98 3.631 -13.547 5.308 1.00 0.00 O ATOM 1282 CB ASP A 98 0.886 -15.209 4.912 1.00 0.00 C ATOM 1283 CG ASP A 98 -0.326 -15.927 5.469 1.00 0.00 C ATOM 1284 OD1 ASP A 98 -0.195 -16.601 6.513 1.00 0.00 O ATOM 1285 OD2 ASP A 98 -1.409 -15.844 4.854 1.00 0.00 O ATOM 0 H ASP A 98 -0.500 -13.116 5.250 1.00 0.00 H new ATOM 0 HA ASP A 98 1.649 -14.373 6.725 1.00 0.00 H new ATOM 0 HB2 ASP A 98 0.666 -14.874 3.898 1.00 0.00 H new ATOM 0 HB3 ASP A 98 1.715 -15.913 4.842 1.00 0.00 H new ATOM 1290 N LEU A 99 2.099 -12.356 4.178 1.00 0.00 N ATOM 1291 CA LEU A 99 3.083 -11.621 3.389 1.00 0.00 C ATOM 1292 C LEU A 99 3.863 -10.641 4.255 1.00 0.00 C ATOM 1293 O LEU A 99 5.057 -10.433 4.053 1.00 0.00 O ATOM 1294 CB LEU A 99 2.394 -10.871 2.245 1.00 0.00 C ATOM 1295 CG LEU A 99 1.872 -11.754 1.111 1.00 0.00 C ATOM 1296 CD1 LEU A 99 1.010 -10.952 0.153 1.00 0.00 C ATOM 1297 CD2 LEU A 99 3.029 -12.391 0.361 1.00 0.00 C ATOM 0 H LEU A 99 1.131 -12.090 3.997 1.00 0.00 H new ATOM 0 HA LEU A 99 3.785 -12.344 2.973 1.00 0.00 H new ATOM 0 HB2 LEU A 99 1.560 -10.302 2.655 1.00 0.00 H new ATOM 0 HB3 LEU A 99 3.097 -10.150 1.829 1.00 0.00 H new ATOM 0 HG LEU A 99 1.259 -12.541 1.550 1.00 0.00 H new ATOM 0 HD11 LEU A 99 0.651 -11.602 -0.645 1.00 0.00 H new ATOM 0 HD12 LEU A 99 0.159 -10.534 0.692 1.00 0.00 H new ATOM 0 HD13 LEU A 99 1.600 -10.143 -0.277 1.00 0.00 H new ATOM 0 HD21 LEU A 99 2.641 -13.016 -0.443 1.00 0.00 H new ATOM 0 HD22 LEU A 99 3.663 -11.611 -0.060 1.00 0.00 H new ATOM 0 HD23 LEU A 99 3.614 -13.003 1.047 1.00 0.00 H new ATOM 1309 N ILE A 100 3.185 -10.046 5.220 1.00 0.00 N ATOM 1310 CA ILE A 100 3.802 -9.045 6.074 1.00 0.00 C ATOM 1311 C ILE A 100 4.541 -9.694 7.251 1.00 0.00 C ATOM 1312 O ILE A 100 5.461 -9.103 7.821 1.00 0.00 O ATOM 1313 CB ILE A 100 2.744 -8.037 6.582 1.00 0.00 C ATOM 1314 CG1 ILE A 100 1.962 -7.469 5.390 1.00 0.00 C ATOM 1315 CG2 ILE A 100 3.397 -6.922 7.391 1.00 0.00 C ATOM 1316 CD1 ILE A 100 1.014 -6.347 5.743 1.00 0.00 C ATOM 0 H ILE A 100 2.206 -10.238 5.433 1.00 0.00 H new ATOM 0 HA ILE A 100 4.537 -8.505 5.478 1.00 0.00 H new ATOM 0 HB ILE A 100 2.050 -8.555 7.244 1.00 0.00 H new ATOM 0 HG12 ILE A 100 2.671 -7.108 4.645 1.00 0.00 H new ATOM 0 HG13 ILE A 100 1.394 -8.276 4.926 1.00 0.00 H new ATOM 0 HG21 ILE A 100 2.632 -6.227 7.736 1.00 0.00 H new ATOM 0 HG22 ILE A 100 3.913 -7.350 8.250 1.00 0.00 H new ATOM 0 HG23 ILE A 100 4.114 -6.391 6.765 1.00 0.00 H new ATOM 0 HD11 ILE A 100 0.503 -6.005 4.843 1.00 0.00 H new ATOM 0 HD12 ILE A 100 0.279 -6.705 6.464 1.00 0.00 H new ATOM 0 HD13 ILE A 100 1.575 -5.520 6.178 1.00 0.00 H new ATOM 1328 N SER A 101 4.160 -10.920 7.591 1.00 0.00 N ATOM 1329 CA SER A 101 4.804 -11.644 8.683 1.00 0.00 C ATOM 1330 C SER A 101 6.055 -12.370 8.197 1.00 0.00 C ATOM 1331 O SER A 101 6.934 -12.718 8.987 1.00 0.00 O ATOM 1332 CB SER A 101 3.831 -12.650 9.296 1.00 0.00 C ATOM 1333 OG SER A 101 3.287 -13.495 8.300 1.00 0.00 O ATOM 0 H SER A 101 3.410 -11.433 7.128 1.00 0.00 H new ATOM 0 HA SER A 101 5.098 -10.917 9.440 1.00 0.00 H new ATOM 0 HB2 SER A 101 4.346 -13.250 10.046 1.00 0.00 H new ATOM 0 HB3 SER A 101 3.028 -12.120 9.808 1.00 0.00 H new ATOM 0 HG SER A 101 2.570 -13.023 7.826 1.00 0.00 H new ATOM 1339 N GLY A 102 6.125 -12.602 6.895 1.00 0.00 N ATOM 1340 CA GLY A 102 7.245 -13.326 6.331 1.00 0.00 C ATOM 1341 C GLY A 102 6.928 -14.795 6.153 1.00 0.00 C ATOM 1342 O GLY A 102 7.815 -15.609 5.897 1.00 0.00 O ATOM 0 H GLY A 102 5.424 -12.301 6.217 1.00 0.00 H new ATOM 0 HA2 GLY A 102 7.511 -12.892 5.367 1.00 0.00 H new ATOM 0 HA3 GLY A 102 8.113 -13.217 6.981 1.00 0.00 H new ATOM 1346 N LYS A 103 5.653 -15.129 6.292 1.00 0.00 N ATOM 1347 CA LYS A 103 5.194 -16.503 6.152 1.00 0.00 C ATOM 1348 C LYS A 103 4.916 -16.842 4.697 1.00 0.00 C ATOM 1349 O LYS A 103 5.260 -17.926 4.222 1.00 0.00 O ATOM 1350 CB LYS A 103 3.927 -16.707 6.978 1.00 0.00 C ATOM 1351 CG LYS A 103 4.189 -16.811 8.471 1.00 0.00 C ATOM 1352 CD LYS A 103 2.893 -16.822 9.263 1.00 0.00 C ATOM 1353 CE LYS A 103 3.145 -16.998 10.751 1.00 0.00 C ATOM 1354 NZ LYS A 103 3.827 -15.818 11.347 1.00 0.00 N ATOM 0 H LYS A 103 4.912 -14.460 6.504 1.00 0.00 H new ATOM 0 HA LYS A 103 5.981 -17.165 6.513 1.00 0.00 H new ATOM 0 HB2 LYS A 103 3.245 -15.877 6.794 1.00 0.00 H new ATOM 0 HB3 LYS A 103 3.425 -17.614 6.641 1.00 0.00 H new ATOM 0 HG2 LYS A 103 4.753 -17.720 8.680 1.00 0.00 H new ATOM 0 HG3 LYS A 103 4.806 -15.972 8.793 1.00 0.00 H new ATOM 0 HD2 LYS A 103 2.355 -15.890 9.093 1.00 0.00 H new ATOM 0 HD3 LYS A 103 2.254 -17.629 8.904 1.00 0.00 H new ATOM 0 HE2 LYS A 103 2.196 -17.164 11.262 1.00 0.00 H new ATOM 0 HE3 LYS A 103 3.754 -17.888 10.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 3.903 -15.944 12.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 4.779 -15.724 10.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 3.277 -14.959 11.143 1.00 0.00 H new ATOM 1368 N LEU A 104 4.294 -15.911 3.993 1.00 0.00 N ATOM 1369 CA LEU A 104 4.012 -16.090 2.581 1.00 0.00 C ATOM 1370 C LEU A 104 4.997 -15.290 1.741 1.00 0.00 C ATOM 1371 O LEU A 104 5.249 -14.114 2.009 1.00 0.00 O ATOM 1372 CB LEU A 104 2.569 -15.678 2.284 1.00 0.00 C ATOM 1373 CG LEU A 104 2.147 -15.697 0.811 1.00 0.00 C ATOM 1374 CD1 LEU A 104 2.347 -17.073 0.203 1.00 0.00 C ATOM 1375 CD2 LEU A 104 0.693 -15.268 0.666 1.00 0.00 C ATOM 0 H LEU A 104 3.975 -15.022 4.378 1.00 0.00 H new ATOM 0 HA LEU A 104 4.128 -17.142 2.321 1.00 0.00 H new ATOM 0 HB2 LEU A 104 1.903 -16.339 2.839 1.00 0.00 H new ATOM 0 HB3 LEU A 104 2.414 -14.671 2.671 1.00 0.00 H new ATOM 0 HG LEU A 104 2.779 -14.990 0.274 1.00 0.00 H new ATOM 0 HD11 LEU A 104 2.039 -17.057 -0.843 1.00 0.00 H new ATOM 0 HD12 LEU A 104 3.399 -17.350 0.267 1.00 0.00 H new ATOM 0 HD13 LEU A 104 1.746 -17.802 0.747 1.00 0.00 H new ATOM 0 HD21 LEU A 104 0.411 -15.288 -0.387 1.00 0.00 H new ATOM 0 HD22 LEU A 104 0.054 -15.952 1.225 1.00 0.00 H new ATOM 0 HD23 LEU A 104 0.571 -14.257 1.055 1.00 0.00 H new ATOM 1387 N ASN A 105 5.570 -15.949 0.748 1.00 0.00 N ATOM 1388 CA ASN A 105 6.533 -15.323 -0.145 1.00 0.00 C ATOM 1389 C ASN A 105 5.819 -14.472 -1.186 1.00 0.00 C ATOM 1390 O ASN A 105 5.039 -14.994 -1.976 1.00 0.00 O ATOM 1391 CB ASN A 105 7.368 -16.397 -0.854 1.00 0.00 C ATOM 1392 CG ASN A 105 8.311 -17.123 0.087 1.00 0.00 C ATOM 1393 OD1 ASN A 105 7.944 -18.118 0.714 1.00 0.00 O ATOM 1394 ND2 ASN A 105 9.538 -16.636 0.184 1.00 0.00 N ATOM 0 H ASN A 105 5.382 -16.929 0.538 1.00 0.00 H new ATOM 0 HA ASN A 105 7.188 -14.685 0.449 1.00 0.00 H new ATOM 0 HB2 ASN A 105 6.700 -17.120 -1.322 1.00 0.00 H new ATOM 0 HB3 ASN A 105 7.945 -15.933 -1.654 1.00 0.00 H new ATOM 0 HD21 ASN A 105 10.219 -17.087 0.795 1.00 0.00 H new ATOM 0 HD22 ASN A 105 9.803 -15.810 -0.352 1.00 0.00 H new ATOM 1401 N PRO A 106 6.072 -13.149 -1.208 1.00 0.00 N ATOM 1402 CA PRO A 106 5.474 -12.264 -2.203 1.00 0.00 C ATOM 1403 C PRO A 106 5.973 -12.598 -3.599 1.00 0.00 C ATOM 1404 O PRO A 106 5.282 -12.371 -4.587 1.00 0.00 O ATOM 1405 CB PRO A 106 5.906 -10.851 -1.796 1.00 0.00 C ATOM 1406 CG PRO A 106 6.607 -10.979 -0.480 1.00 0.00 C ATOM 1407 CD PRO A 106 6.954 -12.431 -0.278 1.00 0.00 C ATOM 0 HA PRO A 106 4.389 -12.366 -2.233 1.00 0.00 H new ATOM 0 HB2 PRO A 106 6.567 -10.417 -2.546 1.00 0.00 H new ATOM 0 HB3 PRO A 106 5.042 -10.191 -1.712 1.00 0.00 H new ATOM 0 HG2 PRO A 106 7.508 -10.366 -0.467 1.00 0.00 H new ATOM 0 HG3 PRO A 106 5.968 -10.624 0.328 1.00 0.00 H new ATOM 0 HD2 PRO A 106 8.004 -12.623 -0.498 1.00 0.00 H new ATOM 0 HD3 PRO A 106 6.782 -12.741 0.753 1.00 0.00 H new ATOM 1415 N GLN A 107 7.174 -13.154 -3.665 1.00 0.00 N ATOM 1416 CA GLN A 107 7.714 -13.660 -4.908 1.00 0.00 C ATOM 1417 C GLN A 107 6.919 -14.861 -5.381 1.00 0.00 C ATOM 1418 O GLN A 107 6.438 -14.897 -6.514 1.00 0.00 O ATOM 1419 CB GLN A 107 9.157 -14.077 -4.714 1.00 0.00 C ATOM 1420 CG GLN A 107 10.129 -12.919 -4.669 1.00 0.00 C ATOM 1421 CD GLN A 107 10.164 -12.127 -5.962 1.00 0.00 C ATOM 1422 OE1 GLN A 107 10.383 -10.919 -5.953 1.00 0.00 O ATOM 1423 NE2 GLN A 107 9.977 -12.802 -7.086 1.00 0.00 N ATOM 0 H GLN A 107 7.794 -13.264 -2.862 1.00 0.00 H new ATOM 0 HA GLN A 107 7.653 -12.867 -5.654 1.00 0.00 H new ATOM 0 HB2 GLN A 107 9.240 -14.644 -3.787 1.00 0.00 H new ATOM 0 HB3 GLN A 107 9.443 -14.748 -5.524 1.00 0.00 H new ATOM 0 HG2 GLN A 107 9.857 -12.254 -3.849 1.00 0.00 H new ATOM 0 HG3 GLN A 107 11.128 -13.298 -4.454 1.00 0.00 H new ATOM 0 HE21 GLN A 107 9.797 -13.806 -7.054 1.00 0.00 H new ATOM 0 HE22 GLN A 107 10.013 -12.318 -7.983 1.00 0.00 H new ATOM 1432 N LYS A 108 6.815 -15.853 -4.509 1.00 0.00 N ATOM 1433 CA LYS A 108 6.025 -17.025 -4.766 1.00 0.00 C ATOM 1434 C LYS A 108 4.616 -16.628 -5.143 1.00 0.00 C ATOM 1435 O LYS A 108 4.073 -17.088 -6.139 1.00 0.00 O ATOM 1436 CB LYS A 108 5.965 -17.862 -3.505 1.00 0.00 C ATOM 1437 CG LYS A 108 5.614 -19.283 -3.770 1.00 0.00 C ATOM 1438 CD LYS A 108 4.795 -19.880 -2.640 1.00 0.00 C ATOM 1439 CE LYS A 108 3.433 -19.205 -2.522 1.00 0.00 C ATOM 1440 NZ LYS A 108 2.534 -19.917 -1.575 1.00 0.00 N ATOM 0 H LYS A 108 7.282 -15.858 -3.602 1.00 0.00 H new ATOM 0 HA LYS A 108 6.477 -17.588 -5.582 1.00 0.00 H new ATOM 0 HB2 LYS A 108 6.930 -17.819 -3.000 1.00 0.00 H new ATOM 0 HB3 LYS A 108 5.230 -17.432 -2.824 1.00 0.00 H new ATOM 0 HG2 LYS A 108 5.052 -19.351 -4.702 1.00 0.00 H new ATOM 0 HG3 LYS A 108 6.526 -19.864 -3.904 1.00 0.00 H new ATOM 0 HD2 LYS A 108 4.660 -20.948 -2.812 1.00 0.00 H new ATOM 0 HD3 LYS A 108 5.337 -19.774 -1.701 1.00 0.00 H new ATOM 0 HE2 LYS A 108 3.567 -18.176 -2.189 1.00 0.00 H new ATOM 0 HE3 LYS A 108 2.963 -19.164 -3.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 1.620 -19.423 -1.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 2.384 -20.892 -1.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 2.969 -19.935 -0.630 1.00 0.00 H new ATOM 1454 N ALA A 109 4.045 -15.751 -4.339 1.00 0.00 N ATOM 1455 CA ALA A 109 2.661 -15.343 -4.514 1.00 0.00 C ATOM 1456 C ALA A 109 2.482 -14.597 -5.832 1.00 0.00 C ATOM 1457 O ALA A 109 1.425 -14.668 -6.456 1.00 0.00 O ATOM 1458 CB ALA A 109 2.189 -14.491 -3.346 1.00 0.00 C ATOM 0 H ALA A 109 4.520 -15.305 -3.554 1.00 0.00 H new ATOM 0 HA ALA A 109 2.047 -16.243 -4.542 1.00 0.00 H new ATOM 0 HB1 ALA A 109 1.150 -14.200 -3.504 1.00 0.00 H new ATOM 0 HB2 ALA A 109 2.269 -15.064 -2.422 1.00 0.00 H new ATOM 0 HB3 ALA A 109 2.809 -13.597 -3.274 1.00 0.00 H new ATOM 1464 N PHE A 110 3.525 -13.885 -6.249 1.00 0.00 N ATOM 1465 CA PHE A 110 3.539 -13.225 -7.548 1.00 0.00 C ATOM 1466 C PHE A 110 3.377 -14.273 -8.649 1.00 0.00 C ATOM 1467 O PHE A 110 2.583 -14.111 -9.576 1.00 0.00 O ATOM 1468 CB PHE A 110 4.860 -12.460 -7.736 1.00 0.00 C ATOM 1469 CG PHE A 110 4.979 -11.705 -9.036 1.00 0.00 C ATOM 1470 CD1 PHE A 110 5.414 -12.341 -10.190 1.00 0.00 C ATOM 1471 CD2 PHE A 110 4.671 -10.355 -9.100 1.00 0.00 C ATOM 1472 CE1 PHE A 110 5.534 -11.647 -11.379 1.00 0.00 C ATOM 1473 CE2 PHE A 110 4.792 -9.656 -10.285 1.00 0.00 C ATOM 1474 CZ PHE A 110 5.223 -10.303 -11.427 1.00 0.00 C ATOM 0 H PHE A 110 4.375 -13.751 -5.702 1.00 0.00 H new ATOM 0 HA PHE A 110 2.715 -12.514 -7.602 1.00 0.00 H new ATOM 0 HB2 PHE A 110 4.975 -11.756 -6.912 1.00 0.00 H new ATOM 0 HB3 PHE A 110 5.686 -13.168 -7.668 1.00 0.00 H new ATOM 0 HD1 PHE A 110 5.662 -13.392 -10.159 1.00 0.00 H new ATOM 0 HD2 PHE A 110 4.332 -9.843 -8.212 1.00 0.00 H new ATOM 0 HE1 PHE A 110 5.871 -12.156 -12.270 1.00 0.00 H new ATOM 0 HE2 PHE A 110 4.550 -8.604 -10.319 1.00 0.00 H new ATOM 0 HZ PHE A 110 5.316 -9.759 -12.355 1.00 0.00 H new ATOM 1484 N PHE A 111 4.135 -15.356 -8.507 1.00 0.00 N ATOM 1485 CA PHE A 111 4.101 -16.476 -9.444 1.00 0.00 C ATOM 1486 C PHE A 111 2.752 -17.191 -9.372 1.00 0.00 C ATOM 1487 O PHE A 111 2.205 -17.630 -10.385 1.00 0.00 O ATOM 1488 CB PHE A 111 5.229 -17.458 -9.095 1.00 0.00 C ATOM 1489 CG PHE A 111 5.463 -18.525 -10.127 1.00 0.00 C ATOM 1490 CD1 PHE A 111 6.272 -18.279 -11.225 1.00 0.00 C ATOM 1491 CD2 PHE A 111 4.885 -19.778 -9.991 1.00 0.00 C ATOM 1492 CE1 PHE A 111 6.499 -19.262 -12.168 1.00 0.00 C ATOM 1493 CE2 PHE A 111 5.107 -20.763 -10.933 1.00 0.00 C ATOM 1494 CZ PHE A 111 5.915 -20.506 -12.023 1.00 0.00 C ATOM 0 H PHE A 111 4.792 -15.483 -7.737 1.00 0.00 H new ATOM 0 HA PHE A 111 4.239 -16.099 -10.457 1.00 0.00 H new ATOM 0 HB2 PHE A 111 6.153 -16.897 -8.954 1.00 0.00 H new ATOM 0 HB3 PHE A 111 4.998 -17.935 -8.143 1.00 0.00 H new ATOM 0 HD1 PHE A 111 6.730 -17.308 -11.344 1.00 0.00 H new ATOM 0 HD2 PHE A 111 4.254 -19.986 -9.139 1.00 0.00 H new ATOM 0 HE1 PHE A 111 7.133 -19.059 -13.019 1.00 0.00 H new ATOM 0 HE2 PHE A 111 4.649 -21.734 -10.817 1.00 0.00 H new ATOM 0 HZ PHE A 111 6.090 -21.275 -12.760 1.00 0.00 H new ATOM 1504 N GLN A 112 2.227 -17.296 -8.159 1.00 0.00 N ATOM 1505 CA GLN A 112 0.974 -17.987 -7.897 1.00 0.00 C ATOM 1506 C GLN A 112 -0.226 -17.208 -8.435 1.00 0.00 C ATOM 1507 O GLN A 112 -1.280 -17.784 -8.709 1.00 0.00 O ATOM 1508 CB GLN A 112 0.834 -18.206 -6.390 1.00 0.00 C ATOM 1509 CG GLN A 112 1.904 -19.111 -5.814 1.00 0.00 C ATOM 1510 CD GLN A 112 1.790 -20.545 -6.297 1.00 0.00 C ATOM 1511 OE1 GLN A 112 2.793 -21.245 -6.434 1.00 0.00 O ATOM 1512 NE2 GLN A 112 0.570 -21.001 -6.539 1.00 0.00 N ATOM 0 H GLN A 112 2.662 -16.902 -7.325 1.00 0.00 H new ATOM 0 HA GLN A 112 0.991 -18.946 -8.414 1.00 0.00 H new ATOM 0 HB2 GLN A 112 0.873 -17.241 -5.884 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -0.146 -18.635 -6.182 1.00 0.00 H new ATOM 0 HG2 GLN A 112 2.886 -18.720 -6.082 1.00 0.00 H new ATOM 0 HG3 GLN A 112 1.840 -19.094 -4.726 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -0.237 -20.390 -6.414 1.00 0.00 H new ATOM 0 HE22 GLN A 112 0.438 -21.963 -6.851 1.00 0.00 H new ATOM 1521 N GLY A 113 -0.057 -15.903 -8.594 1.00 0.00 N ATOM 1522 CA GLY A 113 -1.134 -15.072 -9.096 1.00 0.00 C ATOM 1523 C GLY A 113 -1.834 -14.306 -7.993 1.00 0.00 C ATOM 1524 O GLY A 113 -2.856 -13.657 -8.222 1.00 0.00 O ATOM 0 H GLY A 113 0.807 -15.404 -8.384 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -0.736 -14.368 -9.827 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -1.859 -15.697 -9.617 1.00 0.00 H new ATOM 1528 N LYS A 114 -1.266 -14.361 -6.800 1.00 0.00 N ATOM 1529 CA LYS A 114 -1.827 -13.754 -5.640 1.00 0.00 C ATOM 1530 C LYS A 114 -1.455 -12.277 -5.581 1.00 0.00 C ATOM 1531 O LYS A 114 -2.218 -11.442 -5.093 1.00 0.00 O ATOM 1532 CB LYS A 114 -1.271 -14.492 -4.426 1.00 0.00 C ATOM 1533 CG LYS A 114 -1.491 -13.760 -3.138 1.00 0.00 C ATOM 1534 CD LYS A 114 -2.842 -14.073 -2.503 1.00 0.00 C ATOM 1535 CE LYS A 114 -4.013 -13.657 -3.380 1.00 0.00 C ATOM 1536 NZ LYS A 114 -5.322 -13.937 -2.731 1.00 0.00 N ATOM 0 H LYS A 114 -0.384 -14.843 -6.624 1.00 0.00 H new ATOM 0 HA LYS A 114 -2.915 -13.818 -5.662 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -1.737 -15.475 -4.362 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -0.202 -14.655 -4.566 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -0.697 -14.019 -2.438 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -1.419 -12.687 -3.318 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -2.906 -15.142 -2.302 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -2.914 -13.564 -1.542 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -3.939 -12.593 -3.603 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -3.959 -14.186 -4.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -5.870 -14.593 -3.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -5.162 -14.366 -1.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -5.850 -13.048 -2.618 1.00 0.00 H new ATOM 1550 N ILE A 115 -0.278 -11.973 -6.095 1.00 0.00 N ATOM 1551 CA ILE A 115 0.283 -10.640 -6.010 1.00 0.00 C ATOM 1552 C ILE A 115 0.346 -9.983 -7.389 1.00 0.00 C ATOM 1553 O ILE A 115 0.911 -10.536 -8.334 1.00 0.00 O ATOM 1554 CB ILE A 115 1.679 -10.711 -5.332 1.00 0.00 C ATOM 1555 CG1 ILE A 115 1.628 -10.112 -3.940 1.00 0.00 C ATOM 1556 CG2 ILE A 115 2.742 -9.990 -6.121 1.00 0.00 C ATOM 1557 CD1 ILE A 115 2.657 -10.694 -3.013 1.00 0.00 C ATOM 0 H ILE A 115 0.315 -12.644 -6.583 1.00 0.00 H new ATOM 0 HA ILE A 115 -0.364 -10.013 -5.396 1.00 0.00 H new ATOM 0 HB ILE A 115 1.940 -11.768 -5.284 1.00 0.00 H new ATOM 0 HG12 ILE A 115 1.777 -9.034 -4.008 1.00 0.00 H new ATOM 0 HG13 ILE A 115 0.636 -10.271 -3.518 1.00 0.00 H new ATOM 0 HG21 ILE A 115 3.697 -10.071 -5.603 1.00 0.00 H new ATOM 0 HG22 ILE A 115 2.827 -10.438 -7.111 1.00 0.00 H new ATOM 0 HG23 ILE A 115 2.471 -8.939 -6.221 1.00 0.00 H new ATOM 0 HD11 ILE A 115 2.570 -10.225 -2.033 1.00 0.00 H new ATOM 0 HD12 ILE A 115 2.495 -11.768 -2.917 1.00 0.00 H new ATOM 0 HD13 ILE A 115 3.654 -10.512 -3.415 1.00 0.00 H new ATOM 1569 N LYS A 116 -0.300 -8.828 -7.506 1.00 0.00 N ATOM 1570 CA LYS A 116 -0.222 -8.018 -8.719 1.00 0.00 C ATOM 1571 C LYS A 116 0.521 -6.726 -8.419 1.00 0.00 C ATOM 1572 O LYS A 116 -0.016 -5.842 -7.758 1.00 0.00 O ATOM 1573 CB LYS A 116 -1.619 -7.680 -9.247 1.00 0.00 C ATOM 1574 CG LYS A 116 -2.444 -8.882 -9.668 1.00 0.00 C ATOM 1575 CD LYS A 116 -1.857 -9.554 -10.896 1.00 0.00 C ATOM 1576 CE LYS A 116 -2.771 -10.644 -11.429 1.00 0.00 C ATOM 1577 NZ LYS A 116 -3.049 -11.692 -10.412 1.00 0.00 N ATOM 0 H LYS A 116 -0.886 -8.429 -6.773 1.00 0.00 H new ATOM 0 HA LYS A 116 0.309 -8.592 -9.479 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -2.163 -7.135 -8.475 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -1.518 -7.009 -10.100 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -2.492 -9.598 -8.847 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -3.467 -8.568 -9.877 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -1.687 -8.809 -11.673 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -0.886 -9.982 -10.648 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -3.711 -10.200 -11.756 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -2.313 -11.103 -12.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -3.562 -12.480 -10.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -2.152 -12.041 -10.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -3.628 -11.289 -9.648 1.00 0.00 H new ATOM 1591 N ILE A 117 1.752 -6.623 -8.882 1.00 0.00 N ATOM 1592 CA ILE A 117 2.565 -5.454 -8.622 1.00 0.00 C ATOM 1593 C ILE A 117 3.141 -4.886 -9.918 1.00 0.00 C ATOM 1594 O ILE A 117 3.718 -5.614 -10.729 1.00 0.00 O ATOM 1595 CB ILE A 117 3.686 -5.791 -7.601 1.00 0.00 C ATOM 1596 CG1 ILE A 117 4.969 -5.009 -7.863 1.00 0.00 C ATOM 1597 CG2 ILE A 117 3.984 -7.278 -7.588 1.00 0.00 C ATOM 1598 CD1 ILE A 117 4.901 -3.549 -7.464 1.00 0.00 C ATOM 0 H ILE A 117 2.212 -7.340 -9.443 1.00 0.00 H new ATOM 0 HA ILE A 117 1.931 -4.683 -8.184 1.00 0.00 H new ATOM 0 HB ILE A 117 3.309 -5.492 -6.623 1.00 0.00 H new ATOM 0 HG12 ILE A 117 5.787 -5.484 -7.322 1.00 0.00 H new ATOM 0 HG13 ILE A 117 5.209 -5.073 -8.924 1.00 0.00 H new ATOM 0 HG21 ILE A 117 4.772 -7.485 -6.864 1.00 0.00 H new ATOM 0 HG22 ILE A 117 3.084 -7.827 -7.311 1.00 0.00 H new ATOM 0 HG23 ILE A 117 4.310 -7.592 -8.579 1.00 0.00 H new ATOM 0 HD11 ILE A 117 5.854 -3.067 -7.684 1.00 0.00 H new ATOM 0 HD12 ILE A 117 4.107 -3.055 -8.024 1.00 0.00 H new ATOM 0 HD13 ILE A 117 4.694 -3.473 -6.397 1.00 0.00 H new