USER MOD reduce.3.24.130724 H: found=0, std=0, add=897, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 897 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 71 THR OG1 : rot 149:sc= 0.813 USER MOD Set 1.2: A 77 THR OG1 : rot 180:sc= 0.667 USER MOD Set 2.1: A 62 SER OG : rot 180:sc= -1.49 USER MOD Set 2.2: A 88 ASN : amide:sc= -2.87! C(o=-4.4!,f=-5.3!) USER MOD Set 3.1: A 31 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 51 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 26 TYR OH : rot 163:sc= 0.133 USER MOD Set 4.2: A 118 THR OG1 : rot -22:sc= 0.337 USER MOD Single : A 10 GLN : amide:sc= -0.101 X(o=-0.1,f=-0.1) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -12! C(o=-12!,f=-15!) USER MOD Single : A 16 CYS SG : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= 0.651 K(o=0.65,f=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 MET CE :methyl 163:sc= -1.35 (180deg=-1.77) USER MOD Single : A 34 THR OG1 : rot -51:sc= 0.447 USER MOD Single : A 45 GLN : amide:sc= -3.8! C(o=-3.8!,f=-5.3!) USER MOD Single : A 54 SER OG : rot 180:sc= -0.9 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 HIS : no HE2:sc= -5.41! C(o=-5.4!,f=-5.7!) USER MOD Single : A 70 MET CE :methyl -174:sc= -5.98! (180deg=-6.32!) USER MOD Single : A 73 MET CE :methyl -123:sc= -3.25 (180deg=-3.88!) USER MOD Single : A 74 TYR OH : rot -136:sc= -0.0843 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.147) USER MOD Single : A 85 ASN : amide:sc= -4.1! K(o=-4.1!,f=-0.51) USER MOD Single : A 87 GLN : amide:sc=-0.00292 K(o=-0.0029,f=-0.64) USER MOD Single : A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 GLN : amide:sc= -5.56! C(o=-5.6!,f=-7.1!) USER MOD Single : A 95 GLN : amide:sc= -0.0522 X(o=-0.052,f=-0.26) USER MOD Single : A 96 MET CE :methyl 164:sc= -0.0531 (180deg=-0.369) USER MOD Single : A 98 LYS NZ :NH3+ 166:sc= -0.262! (180deg=-0.453!) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ -147:sc= 0.742 (180deg=-1.28!) USER MOD Single : A 105 HIS : no HD1:sc= -0.0608 K(o=-0.061,f=-0.69) USER MOD Single : A 106 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot -120:sc=-0.00927 USER MOD Single : A 111 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 121 THR OG1 : rot -101:sc= 0.234 USER MOD Single : A 122 GLN : amide:sc= -2.54 K(o=-2.5,f=0.3) USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 109 N LEU A 8 -2.943 10.073 4.356 1.00 35.23 N ATOM 110 CA LEU A 8 -4.167 9.781 5.095 1.00 72.01 C ATOM 111 C LEU A 8 -4.924 11.064 5.424 1.00 63.10 C ATOM 112 O LEU A 8 -6.143 11.051 5.593 1.00 11.31 O ATOM 113 CB LEU A 8 -3.840 9.023 6.383 1.00 13.40 C ATOM 114 CG LEU A 8 -3.241 7.628 6.207 1.00 33.42 C ATOM 115 CD1 LEU A 8 -3.071 6.946 7.556 1.00 31.00 C ATOM 116 CD2 LEU A 8 -4.113 6.785 5.288 1.00 74.10 C ATOM 0 HA LEU A 8 -4.802 9.158 4.466 1.00 72.01 H new ATOM 0 HB2 LEU A 8 -3.144 9.624 6.968 1.00 13.40 H new ATOM 0 HB3 LEU A 8 -4.754 8.933 6.970 1.00 13.40 H new ATOM 0 HG LEU A 8 -2.258 7.731 5.748 1.00 33.42 H new ATOM 0 HD11 LEU A 8 -2.643 5.954 7.411 1.00 31.00 H new ATOM 0 HD12 LEU A 8 -2.406 7.540 8.183 1.00 31.00 H new ATOM 0 HD13 LEU A 8 -4.042 6.855 8.043 1.00 31.00 H new ATOM 0 HD21 LEU A 8 -3.671 5.795 5.174 1.00 74.10 H new ATOM 0 HD22 LEU A 8 -5.110 6.690 5.719 1.00 74.10 H new ATOM 0 HD23 LEU A 8 -4.184 7.265 4.312 1.00 74.10 H new ATOM 128 N ASP A 9 -4.193 12.170 5.511 1.00 23.32 N ATOM 129 CA ASP A 9 -4.795 13.462 5.817 1.00 41.34 C ATOM 130 C ASP A 9 -5.966 13.750 4.883 1.00 55.11 C ATOM 131 O ASP A 9 -6.958 14.357 5.286 1.00 35.51 O ATOM 132 CB ASP A 9 -3.751 14.575 5.703 1.00 33.44 C ATOM 133 CG ASP A 9 -2.494 14.271 6.494 1.00 1.43 C ATOM 134 OD1 ASP A 9 -2.227 13.078 6.748 1.00 4.54 O ATOM 135 OD2 ASP A 9 -1.778 15.227 6.860 1.00 45.02 O ATOM 0 H ASP A 9 -3.183 12.197 5.374 1.00 23.32 H new ATOM 0 HA ASP A 9 -5.169 13.428 6.840 1.00 41.34 H new ATOM 0 HB2 ASP A 9 -3.491 14.720 4.654 1.00 33.44 H new ATOM 0 HB3 ASP A 9 -4.182 15.512 6.057 1.00 33.44 H new ATOM 140 N GLN A 10 -5.843 13.312 3.634 1.00 30.33 N ATOM 141 CA GLN A 10 -6.891 13.524 2.643 1.00 14.34 C ATOM 142 C GLN A 10 -8.159 12.766 3.021 1.00 73.40 C ATOM 143 O GLN A 10 -9.269 13.275 2.865 1.00 13.23 O ATOM 144 CB GLN A 10 -6.412 13.083 1.260 1.00 64.34 C ATOM 145 CG GLN A 10 -5.123 13.758 0.818 1.00 13.32 C ATOM 146 CD GLN A 10 -5.194 15.270 0.914 1.00 74.44 C ATOM 147 OE1 GLN A 10 -5.889 15.920 0.133 1.00 54.42 O ATOM 148 NE2 GLN A 10 -4.474 15.837 1.874 1.00 30.10 N ATOM 0 H GLN A 10 -5.028 12.808 3.285 1.00 30.33 H new ATOM 0 HA GLN A 10 -7.121 14.589 2.617 1.00 14.34 H new ATOM 0 HB2 GLN A 10 -6.264 12.003 1.263 1.00 64.34 H new ATOM 0 HB3 GLN A 10 -7.193 13.296 0.530 1.00 64.34 H new ATOM 0 HG2 GLN A 10 -4.299 13.397 1.433 1.00 13.32 H new ATOM 0 HG3 GLN A 10 -4.902 13.473 -0.211 1.00 13.32 H new ATOM 0 HE21 GLN A 10 -3.912 15.259 2.499 1.00 30.10 H new ATOM 0 HE22 GLN A 10 -4.483 16.851 1.987 1.00 30.10 H new ATOM 157 N TYR A 11 -7.987 11.546 3.517 1.00 21.43 N ATOM 158 CA TYR A 11 -9.118 10.715 3.915 1.00 43.34 C ATOM 159 C TYR A 11 -10.007 11.448 4.914 1.00 13.31 C ATOM 160 O TYR A 11 -11.190 11.137 5.055 1.00 30.51 O ATOM 161 CB TYR A 11 -8.624 9.401 4.522 1.00 1.34 C ATOM 162 CG TYR A 11 -8.103 8.418 3.498 1.00 10.52 C ATOM 163 CD1 TYR A 11 -8.798 8.180 2.319 1.00 44.12 C ATOM 164 CD2 TYR A 11 -6.915 7.729 3.710 1.00 74.12 C ATOM 165 CE1 TYR A 11 -8.326 7.282 1.381 1.00 44.51 C ATOM 166 CE2 TYR A 11 -6.435 6.830 2.777 1.00 50.53 C ATOM 167 CZ TYR A 11 -7.144 6.610 1.614 1.00 0.32 C ATOM 168 OH TYR A 11 -6.670 5.716 0.682 1.00 42.43 O ATOM 0 H TYR A 11 -7.075 11.110 3.653 1.00 21.43 H new ATOM 0 HA TYR A 11 -9.707 10.496 3.024 1.00 43.34 H new ATOM 0 HB2 TYR A 11 -7.833 9.617 5.241 1.00 1.34 H new ATOM 0 HB3 TYR A 11 -9.440 8.937 5.076 1.00 1.34 H new ATOM 0 HD1 TYR A 11 -9.723 8.706 2.132 1.00 44.12 H new ATOM 0 HD2 TYR A 11 -6.358 7.899 4.619 1.00 74.12 H new ATOM 0 HE1 TYR A 11 -8.879 7.107 0.470 1.00 44.51 H new ATOM 0 HE2 TYR A 11 -5.510 6.302 2.957 1.00 50.53 H new ATOM 0 HH TYR A 11 -5.827 5.330 0.999 1.00 42.43 H new ATOM 178 N TYR A 12 -9.429 12.424 5.605 1.00 15.51 N ATOM 179 CA TYR A 12 -10.168 13.202 6.593 1.00 22.03 C ATOM 180 C TYR A 12 -11.385 13.871 5.962 1.00 63.05 C ATOM 181 O TYR A 12 -12.437 13.987 6.588 1.00 32.01 O ATOM 182 CB TYR A 12 -9.260 14.260 7.223 1.00 63.32 C ATOM 183 CG TYR A 12 -9.525 14.488 8.694 1.00 55.14 C ATOM 184 CD1 TYR A 12 -9.582 13.422 9.583 1.00 21.00 C ATOM 185 CD2 TYR A 12 -9.721 15.769 9.194 1.00 51.41 C ATOM 186 CE1 TYR A 12 -9.825 13.626 10.928 1.00 71.43 C ATOM 187 CE2 TYR A 12 -9.963 15.983 10.537 1.00 34.50 C ATOM 188 CZ TYR A 12 -10.015 14.908 11.400 1.00 63.42 C ATOM 189 OH TYR A 12 -10.257 15.116 12.738 1.00 32.43 O ATOM 0 H TYR A 12 -8.451 12.695 5.500 1.00 15.51 H new ATOM 0 HA TYR A 12 -10.514 12.520 7.370 1.00 22.03 H new ATOM 0 HB2 TYR A 12 -8.221 13.959 7.092 1.00 63.32 H new ATOM 0 HB3 TYR A 12 -9.389 15.202 6.689 1.00 63.32 H new ATOM 0 HD1 TYR A 12 -9.434 12.417 9.217 1.00 21.00 H new ATOM 0 HD2 TYR A 12 -9.684 16.613 8.521 1.00 51.41 H new ATOM 0 HE1 TYR A 12 -9.866 12.786 11.606 1.00 71.43 H new ATOM 0 HE2 TYR A 12 -10.111 16.986 10.909 1.00 34.50 H new ATOM 0 HH TYR A 12 -10.367 16.075 12.905 1.00 32.43 H new ATOM 199 N GLU A 13 -11.231 14.309 4.716 1.00 70.33 N ATOM 200 CA GLU A 13 -12.317 14.966 3.998 1.00 0.44 C ATOM 201 C GLU A 13 -13.501 14.021 3.819 1.00 54.11 C ATOM 202 O GLU A 13 -14.656 14.418 3.981 1.00 43.12 O ATOM 203 CB GLU A 13 -11.832 15.459 2.633 1.00 23.33 C ATOM 204 CG GLU A 13 -11.865 14.390 1.554 1.00 71.02 C ATOM 205 CD GLU A 13 -11.676 14.961 0.162 1.00 61.32 C ATOM 206 OE1 GLU A 13 -10.511 15.137 -0.253 1.00 72.33 O ATOM 207 OE2 GLU A 13 -12.692 15.232 -0.512 1.00 64.41 O ATOM 0 H GLU A 13 -10.366 14.221 4.183 1.00 70.33 H new ATOM 0 HA GLU A 13 -12.644 15.821 4.589 1.00 0.44 H new ATOM 0 HB2 GLU A 13 -12.450 16.300 2.319 1.00 23.33 H new ATOM 0 HB3 GLU A 13 -10.813 15.832 2.732 1.00 23.33 H new ATOM 0 HG2 GLU A 13 -11.084 13.656 1.751 1.00 71.02 H new ATOM 0 HG3 GLU A 13 -12.817 13.862 1.600 1.00 71.02 H new ATOM 214 N ILE A 14 -13.206 12.770 3.483 1.00 75.11 N ATOM 215 CA ILE A 14 -14.246 11.768 3.282 1.00 50.22 C ATOM 216 C ILE A 14 -14.934 11.418 4.597 1.00 52.41 C ATOM 217 O ILE A 14 -16.157 11.294 4.654 1.00 31.41 O ATOM 218 CB ILE A 14 -13.675 10.482 2.656 1.00 20.01 C ATOM 219 CG1 ILE A 14 -13.136 10.767 1.253 1.00 55.04 C ATOM 220 CG2 ILE A 14 -14.740 9.397 2.610 1.00 35.03 C ATOM 221 CD1 ILE A 14 -11.635 10.948 1.207 1.00 74.14 C ATOM 0 H ILE A 14 -12.256 12.426 3.344 1.00 75.11 H new ATOM 0 HA ILE A 14 -14.975 12.203 2.598 1.00 50.22 H new ATOM 0 HB ILE A 14 -12.851 10.129 3.276 1.00 20.01 H new ATOM 0 HG12 ILE A 14 -13.415 9.947 0.592 1.00 55.04 H new ATOM 0 HG13 ILE A 14 -13.614 11.666 0.865 1.00 55.04 H new ATOM 0 HG21 ILE A 14 -14.321 8.495 2.165 1.00 35.03 H new ATOM 0 HG22 ILE A 14 -15.080 9.178 3.622 1.00 35.03 H new ATOM 0 HG23 ILE A 14 -15.583 9.740 2.010 1.00 35.03 H new ATOM 0 HD11 ILE A 14 -11.324 11.147 0.181 1.00 74.14 H new ATOM 0 HD12 ILE A 14 -11.350 11.787 1.842 1.00 74.14 H new ATOM 0 HD13 ILE A 14 -11.148 10.041 1.565 1.00 74.14 H new ATOM 233 N GLN A 15 -14.140 11.263 5.651 1.00 2.31 N ATOM 234 CA GLN A 15 -14.673 10.929 6.966 1.00 12.13 C ATOM 235 C GLN A 15 -15.525 12.070 7.514 1.00 23.53 C ATOM 236 O GLN A 15 -16.623 11.847 8.025 1.00 11.01 O ATOM 237 CB GLN A 15 -13.534 10.615 7.937 1.00 2.45 C ATOM 238 CG GLN A 15 -12.528 9.614 7.392 1.00 33.05 C ATOM 239 CD GLN A 15 -12.988 8.179 7.553 1.00 35.51 C ATOM 240 OE1 GLN A 15 -14.124 7.838 7.221 1.00 33.24 O ATOM 241 NE2 GLN A 15 -12.107 7.327 8.064 1.00 4.52 N ATOM 0 H GLN A 15 -13.125 11.363 5.620 1.00 2.31 H new ATOM 0 HA GLN A 15 -15.304 10.047 6.861 1.00 12.13 H new ATOM 0 HB2 GLN A 15 -13.015 11.540 8.186 1.00 2.45 H new ATOM 0 HB3 GLN A 15 -13.955 10.226 8.864 1.00 2.45 H new ATOM 0 HG2 GLN A 15 -12.353 9.819 6.336 1.00 33.05 H new ATOM 0 HG3 GLN A 15 -11.575 9.746 7.905 1.00 33.05 H new ATOM 0 HE21 GLN A 15 -11.176 7.652 8.326 1.00 4.52 H new ATOM 0 HE22 GLN A 15 -12.361 6.348 8.195 1.00 4.52 H new ATOM 250 N CYS A 16 -15.011 13.290 7.405 1.00 32.32 N ATOM 251 CA CYS A 16 -15.724 14.466 7.891 1.00 34.31 C ATOM 252 C CYS A 16 -17.072 14.612 7.192 1.00 31.41 C ATOM 253 O CYS A 16 -18.077 14.938 7.822 1.00 1.22 O ATOM 254 CB CYS A 16 -14.884 15.724 7.672 1.00 43.30 C ATOM 255 SG CYS A 16 -15.616 17.229 8.357 1.00 45.34 S ATOM 0 H CYS A 16 -14.104 13.491 6.985 1.00 32.32 H new ATOM 0 HA CYS A 16 -15.901 14.337 8.959 1.00 34.31 H new ATOM 0 HB2 CYS A 16 -13.902 15.574 8.120 1.00 43.30 H new ATOM 0 HB3 CYS A 16 -14.729 15.863 6.602 1.00 43.30 H new ATOM 0 HG CYS A 16 -14.831 18.239 8.123 1.00 45.34 H new ATOM 261 N ASN A 17 -17.085 14.369 5.885 1.00 25.55 N ATOM 262 CA ASN A 17 -18.309 14.475 5.100 1.00 43.11 C ATOM 263 C ASN A 17 -19.375 13.516 5.621 1.00 2.32 C ATOM 264 O ASN A 17 -20.567 13.816 5.578 1.00 13.52 O ATOM 265 CB ASN A 17 -18.021 14.183 3.626 1.00 65.40 C ATOM 266 CG ASN A 17 -19.210 13.567 2.915 1.00 14.13 C ATOM 267 OD1 ASN A 17 -20.138 14.269 2.513 1.00 73.13 O ATOM 268 ND2 ASN A 17 -19.188 12.249 2.758 1.00 35.43 N ATOM 0 H ASN A 17 -16.262 14.097 5.348 1.00 25.55 H new ATOM 0 HA ASN A 17 -18.685 15.494 5.195 1.00 43.11 H new ATOM 0 HB2 ASN A 17 -17.740 15.109 3.123 1.00 65.40 H new ATOM 0 HB3 ASN A 17 -17.168 13.509 3.552 1.00 65.40 H new ATOM 0 HD21 ASN A 17 -19.961 11.778 2.288 1.00 35.43 H new ATOM 0 HD22 ASN A 17 -18.398 11.707 3.107 1.00 35.43 H new ATOM 275 N GLU A 18 -18.935 12.362 6.114 1.00 54.34 N ATOM 276 CA GLU A 18 -19.852 11.360 6.643 1.00 74.20 C ATOM 277 C GLU A 18 -20.612 11.901 7.851 1.00 62.10 C ATOM 278 O GLU A 18 -21.798 11.621 8.029 1.00 11.42 O ATOM 279 CB GLU A 18 -19.088 10.093 7.033 1.00 74.32 C ATOM 280 CG GLU A 18 -18.996 9.069 5.913 1.00 4.35 C ATOM 281 CD GLU A 18 -17.902 8.045 6.148 1.00 0.53 C ATOM 282 OE1 GLU A 18 -16.738 8.454 6.340 1.00 65.44 O ATOM 283 OE2 GLU A 18 -18.211 6.835 6.141 1.00 54.51 O ATOM 0 H GLU A 18 -17.951 12.099 6.158 1.00 54.34 H new ATOM 0 HA GLU A 18 -20.572 11.116 5.862 1.00 74.20 H new ATOM 0 HB2 GLU A 18 -18.081 10.368 7.346 1.00 74.32 H new ATOM 0 HB3 GLU A 18 -19.576 9.635 7.894 1.00 74.32 H new ATOM 0 HG2 GLU A 18 -19.953 8.557 5.814 1.00 4.35 H new ATOM 0 HG3 GLU A 18 -18.811 9.583 4.970 1.00 4.35 H new ATOM 290 N LEU A 19 -19.920 12.676 8.678 1.00 3.24 N ATOM 291 CA LEU A 19 -20.527 13.257 9.871 1.00 53.03 C ATOM 292 C LEU A 19 -21.596 14.278 9.495 1.00 41.52 C ATOM 293 O LEU A 19 -22.727 14.212 9.975 1.00 1.20 O ATOM 294 CB LEU A 19 -19.458 13.918 10.742 1.00 44.12 C ATOM 295 CG LEU A 19 -18.682 12.987 11.675 1.00 53.32 C ATOM 296 CD1 LEU A 19 -18.046 11.852 10.888 1.00 32.21 C ATOM 297 CD2 LEU A 19 -17.624 13.764 12.444 1.00 3.01 C ATOM 0 H LEU A 19 -18.938 12.917 8.545 1.00 3.24 H new ATOM 0 HA LEU A 19 -21.000 12.454 10.436 1.00 53.03 H new ATOM 0 HB2 LEU A 19 -18.745 14.421 10.088 1.00 44.12 H new ATOM 0 HB3 LEU A 19 -19.936 14.689 11.346 1.00 44.12 H new ATOM 0 HG LEU A 19 -19.381 12.557 12.392 1.00 53.32 H new ATOM 0 HD11 LEU A 19 -17.498 11.200 11.568 1.00 32.21 H new ATOM 0 HD12 LEU A 19 -18.824 11.279 10.383 1.00 32.21 H new ATOM 0 HD13 LEU A 19 -17.360 12.263 10.147 1.00 32.21 H new ATOM 0 HD21 LEU A 19 -17.082 13.086 13.103 1.00 3.01 H new ATOM 0 HD22 LEU A 19 -16.927 14.222 11.742 1.00 3.01 H new ATOM 0 HD23 LEU A 19 -18.104 14.541 13.039 1.00 3.01 H new ATOM 309 N GLU A 20 -21.229 15.221 8.632 1.00 72.33 N ATOM 310 CA GLU A 20 -22.158 16.255 8.191 1.00 63.13 C ATOM 311 C GLU A 20 -23.257 15.661 7.315 1.00 54.21 C ATOM 312 O GLU A 20 -24.394 16.133 7.323 1.00 70.34 O ATOM 313 CB GLU A 20 -21.412 17.347 7.421 1.00 24.03 C ATOM 314 CG GLU A 20 -20.281 16.817 6.555 1.00 55.22 C ATOM 315 CD GLU A 20 -19.769 17.849 5.569 1.00 0.31 C ATOM 316 OE1 GLU A 20 -20.581 18.357 4.767 1.00 64.32 O ATOM 317 OE2 GLU A 20 -18.557 18.149 5.600 1.00 53.43 O ATOM 0 H GLU A 20 -20.296 15.290 8.225 1.00 72.33 H new ATOM 0 HA GLU A 20 -22.619 16.694 9.075 1.00 63.13 H new ATOM 0 HB2 GLU A 20 -22.121 17.884 6.790 1.00 24.03 H new ATOM 0 HB3 GLU A 20 -21.007 18.068 8.131 1.00 24.03 H new ATOM 0 HG2 GLU A 20 -19.460 16.492 7.194 1.00 55.22 H new ATOM 0 HG3 GLU A 20 -20.627 15.939 6.010 1.00 55.22 H new ATOM 324 N ALA A 21 -22.909 14.624 6.560 1.00 14.03 N ATOM 325 CA ALA A 21 -23.866 13.965 5.680 1.00 20.31 C ATOM 326 C ALA A 21 -24.956 13.262 6.482 1.00 12.10 C ATOM 327 O ALA A 21 -26.145 13.414 6.198 1.00 44.54 O ATOM 328 CB ALA A 21 -23.152 12.972 4.774 1.00 53.52 C ATOM 0 H ALA A 21 -21.972 14.222 6.540 1.00 14.03 H new ATOM 0 HA ALA A 21 -24.340 14.728 5.063 1.00 20.31 H new ATOM 0 HB1 ALA A 21 -23.878 12.487 4.122 1.00 53.52 H new ATOM 0 HB2 ALA A 21 -22.414 13.498 4.168 1.00 53.52 H new ATOM 0 HB3 ALA A 21 -22.651 12.219 5.383 1.00 53.52 H new ATOM 334 N ILE A 22 -24.544 12.493 7.484 1.00 74.41 N ATOM 335 CA ILE A 22 -25.487 11.767 8.327 1.00 41.24 C ATOM 336 C ILE A 22 -26.173 12.703 9.316 1.00 3.10 C ATOM 337 O ILE A 22 -27.345 12.524 9.645 1.00 54.02 O ATOM 338 CB ILE A 22 -24.790 10.636 9.106 1.00 73.14 C ATOM 339 CG1 ILE A 22 -24.891 9.318 8.334 1.00 15.51 C ATOM 340 CG2 ILE A 22 -25.402 10.493 10.491 1.00 25.24 C ATOM 341 CD1 ILE A 22 -24.689 9.474 6.843 1.00 14.31 C ATOM 0 H ILE A 22 -23.564 12.356 7.732 1.00 74.41 H new ATOM 0 HA ILE A 22 -26.235 11.333 7.663 1.00 41.24 H new ATOM 0 HB ILE A 22 -23.736 10.889 9.220 1.00 73.14 H new ATOM 0 HG12 ILE A 22 -24.148 8.621 8.722 1.00 15.51 H new ATOM 0 HG13 ILE A 22 -25.870 8.874 8.515 1.00 15.51 H new ATOM 0 HG21 ILE A 22 -24.899 9.690 11.030 1.00 25.24 H new ATOM 0 HG22 ILE A 22 -25.284 11.428 11.039 1.00 25.24 H new ATOM 0 HG23 ILE A 22 -26.462 10.259 10.398 1.00 25.24 H new ATOM 0 HD11 ILE A 22 -24.774 8.500 6.360 1.00 14.31 H new ATOM 0 HD12 ILE A 22 -25.448 10.146 6.441 1.00 14.31 H new ATOM 0 HD13 ILE A 22 -23.699 9.889 6.651 1.00 14.31 H new ATOM 353 N ARG A 23 -25.434 13.703 9.786 1.00 62.10 N ATOM 354 CA ARG A 23 -25.971 14.668 10.738 1.00 42.14 C ATOM 355 C ARG A 23 -27.235 15.324 10.191 1.00 14.42 C ATOM 356 O ARG A 23 -28.157 15.640 10.943 1.00 12.52 O ATOM 357 CB ARG A 23 -24.925 15.738 11.056 1.00 0.13 C ATOM 358 CG ARG A 23 -24.079 15.418 12.278 1.00 62.13 C ATOM 359 CD ARG A 23 -22.665 15.961 12.134 1.00 35.50 C ATOM 360 NE ARG A 23 -22.390 17.029 13.091 1.00 65.03 N ATOM 361 CZ ARG A 23 -22.763 18.291 12.911 1.00 43.13 C ATOM 362 NH1 ARG A 23 -23.424 18.641 11.816 1.00 31.41 N ATOM 363 NH2 ARG A 23 -22.475 19.206 13.827 1.00 3.51 N ATOM 0 H ARG A 23 -24.462 13.866 9.523 1.00 62.10 H new ATOM 0 HA ARG A 23 -26.226 14.135 11.654 1.00 42.14 H new ATOM 0 HB2 ARG A 23 -24.270 15.862 10.193 1.00 0.13 H new ATOM 0 HB3 ARG A 23 -25.429 16.692 11.213 1.00 0.13 H new ATOM 0 HG2 ARG A 23 -24.545 15.844 13.166 1.00 62.13 H new ATOM 0 HG3 ARG A 23 -24.042 14.338 12.424 1.00 62.13 H new ATOM 0 HD2 ARG A 23 -21.949 15.152 12.278 1.00 35.50 H new ATOM 0 HD3 ARG A 23 -22.522 16.336 11.121 1.00 35.50 H new ATOM 0 HE ARG A 23 -21.884 16.793 13.944 1.00 65.03 H new ATOM 0 HH11 ARG A 23 -23.647 17.940 11.109 1.00 31.41 H new ATOM 0 HH12 ARG A 23 -23.709 19.611 11.681 1.00 31.41 H new ATOM 0 HH21 ARG A 23 -21.967 18.941 14.671 1.00 3.51 H new ATOM 0 HH22 ARG A 23 -22.762 20.175 13.688 1.00 3.51 H new ATOM 377 N SER A 24 -27.271 15.527 8.878 1.00 61.40 N ATOM 378 CA SER A 24 -28.420 16.149 8.231 1.00 11.23 C ATOM 379 C SER A 24 -29.659 15.268 8.360 1.00 40.23 C ATOM 380 O SER A 24 -30.776 15.766 8.506 1.00 5.34 O ATOM 381 CB SER A 24 -28.120 16.414 6.755 1.00 45.12 C ATOM 382 OG SER A 24 -28.231 17.794 6.451 1.00 33.21 O ATOM 0 H SER A 24 -26.517 15.270 8.241 1.00 61.40 H new ATOM 0 HA SER A 24 -28.617 17.098 8.730 1.00 11.23 H new ATOM 0 HB2 SER A 24 -27.115 16.066 6.517 1.00 45.12 H new ATOM 0 HB3 SER A 24 -28.810 15.845 6.133 1.00 45.12 H new ATOM 0 HG SER A 24 -28.033 17.937 5.502 1.00 33.21 H new ATOM 388 N ILE A 25 -29.453 13.957 8.303 1.00 20.23 N ATOM 389 CA ILE A 25 -30.552 13.006 8.414 1.00 31.12 C ATOM 390 C ILE A 25 -30.910 12.747 9.874 1.00 62.12 C ATOM 391 O ILE A 25 -32.085 12.663 10.230 1.00 13.03 O ATOM 392 CB ILE A 25 -30.208 11.666 7.736 1.00 13.42 C ATOM 393 CG1 ILE A 25 -29.953 11.877 6.242 1.00 23.24 C ATOM 394 CG2 ILE A 25 -31.330 10.661 7.951 1.00 63.11 C ATOM 395 CD1 ILE A 25 -28.573 11.444 5.799 1.00 61.13 C ATOM 0 H ILE A 25 -28.535 13.529 8.181 1.00 20.23 H new ATOM 0 HA ILE A 25 -31.407 13.452 7.906 1.00 31.12 H new ATOM 0 HB ILE A 25 -29.299 11.269 8.188 1.00 13.42 H new ATOM 0 HG12 ILE A 25 -30.699 11.323 5.672 1.00 23.24 H new ATOM 0 HG13 ILE A 25 -30.088 12.932 6.004 1.00 23.24 H new ATOM 0 HG21 ILE A 25 -31.073 9.719 7.466 1.00 63.11 H new ATOM 0 HG22 ILE A 25 -31.469 10.493 9.019 1.00 63.11 H new ATOM 0 HG23 ILE A 25 -32.254 11.049 7.522 1.00 63.11 H new ATOM 0 HD11 ILE A 25 -28.462 11.622 4.729 1.00 61.13 H new ATOM 0 HD12 ILE A 25 -27.820 12.015 6.342 1.00 61.13 H new ATOM 0 HD13 ILE A 25 -28.441 10.382 6.006 1.00 61.13 H new ATOM 407 N TYR A 26 -29.889 12.623 10.714 1.00 23.12 N ATOM 408 CA TYR A 26 -30.095 12.373 12.136 1.00 41.12 C ATOM 409 C TYR A 26 -29.719 13.598 12.964 1.00 31.23 C ATOM 410 O TYR A 26 -29.042 13.486 13.986 1.00 64.14 O ATOM 411 CB TYR A 26 -29.272 11.166 12.588 1.00 65.34 C ATOM 412 CG TYR A 26 -29.619 9.888 11.857 1.00 12.32 C ATOM 413 CD1 TYR A 26 -30.941 9.561 11.580 1.00 0.22 C ATOM 414 CD2 TYR A 26 -28.626 9.008 11.445 1.00 35.01 C ATOM 415 CE1 TYR A 26 -31.264 8.395 10.914 1.00 64.21 C ATOM 416 CE2 TYR A 26 -28.940 7.840 10.777 1.00 43.21 C ATOM 417 CZ TYR A 26 -30.260 7.538 10.514 1.00 65.11 C ATOM 418 OH TYR A 26 -30.576 6.375 9.850 1.00 63.12 O ATOM 0 H TYR A 26 -28.910 12.691 10.435 1.00 23.12 H new ATOM 0 HA TYR A 26 -31.153 12.162 12.292 1.00 41.12 H new ATOM 0 HB2 TYR A 26 -28.214 11.383 12.441 1.00 65.34 H new ATOM 0 HB3 TYR A 26 -29.421 11.015 13.657 1.00 65.34 H new ATOM 0 HD1 TYR A 26 -31.730 10.230 11.891 1.00 0.22 H new ATOM 0 HD2 TYR A 26 -27.592 9.241 11.650 1.00 35.01 H new ATOM 0 HE1 TYR A 26 -32.297 8.156 10.708 1.00 64.21 H new ATOM 0 HE2 TYR A 26 -28.156 7.167 10.462 1.00 43.21 H new ATOM 0 HH TYR A 26 -29.776 6.025 9.405 1.00 63.12 H new ATOM 428 N MET A 27 -30.165 14.767 12.516 1.00 31.31 N ATOM 429 CA MET A 27 -29.878 16.013 13.216 1.00 2.24 C ATOM 430 C MET A 27 -30.058 15.845 14.722 1.00 53.23 C ATOM 431 O MET A 27 -29.155 16.147 15.502 1.00 13.22 O ATOM 432 CB MET A 27 -30.786 17.132 12.704 1.00 54.32 C ATOM 433 CG MET A 27 -30.799 17.259 11.189 1.00 4.21 C ATOM 434 SD MET A 27 -32.468 17.297 10.509 1.00 40.53 S ATOM 435 CE MET A 27 -32.962 15.590 10.728 1.00 33.04 C ATOM 0 H MET A 27 -30.726 14.877 11.672 1.00 31.31 H new ATOM 0 HA MET A 27 -28.840 16.279 13.020 1.00 2.24 H new ATOM 0 HB2 MET A 27 -31.803 16.953 13.054 1.00 54.32 H new ATOM 0 HB3 MET A 27 -30.462 18.078 13.137 1.00 54.32 H new ATOM 0 HG2 MET A 27 -30.272 18.169 10.900 1.00 4.21 H new ATOM 0 HG3 MET A 27 -30.253 16.422 10.754 1.00 4.21 H new ATOM 0 HE1 MET A 27 -34.046 15.511 10.644 1.00 33.04 H new ATOM 0 HE2 MET A 27 -32.493 14.974 9.961 1.00 33.04 H new ATOM 0 HE3 MET A 27 -32.649 15.244 11.713 1.00 33.04 H new ATOM 445 N ASP A 28 -31.229 15.362 15.122 1.00 13.53 N ATOM 446 CA ASP A 28 -31.528 15.154 16.534 1.00 25.34 C ATOM 447 C ASP A 28 -31.233 13.714 16.945 1.00 55.21 C ATOM 448 O ASP A 28 -31.050 13.420 18.126 1.00 11.23 O ATOM 449 CB ASP A 28 -32.991 15.491 16.824 1.00 71.22 C ATOM 450 CG ASP A 28 -33.139 16.696 17.731 1.00 51.41 C ATOM 451 OD1 ASP A 28 -32.473 16.730 18.786 1.00 22.44 O ATOM 452 OD2 ASP A 28 -33.922 17.607 17.386 1.00 61.52 O ATOM 0 H ASP A 28 -31.987 15.107 14.488 1.00 13.53 H new ATOM 0 HA ASP A 28 -30.889 15.818 17.117 1.00 25.34 H new ATOM 0 HB2 ASP A 28 -33.510 15.681 15.885 1.00 71.22 H new ATOM 0 HB3 ASP A 28 -33.474 14.630 17.287 1.00 71.22 H new ATOM 457 N ASP A 29 -31.191 12.821 15.962 1.00 11.23 N ATOM 458 CA ASP A 29 -30.919 11.412 16.221 1.00 15.00 C ATOM 459 C ASP A 29 -29.420 11.135 16.200 1.00 65.15 C ATOM 460 O ASP A 29 -28.991 9.993 16.033 1.00 60.20 O ATOM 461 CB ASP A 29 -31.627 10.536 15.186 1.00 34.24 C ATOM 462 CG ASP A 29 -33.056 10.216 15.579 1.00 33.23 C ATOM 463 OD1 ASP A 29 -33.765 11.135 16.041 1.00 72.04 O ATOM 464 OD2 ASP A 29 -33.466 9.047 15.425 1.00 60.43 O ATOM 0 H ASP A 29 -31.342 13.048 14.979 1.00 11.23 H new ATOM 0 HA ASP A 29 -31.301 11.170 17.213 1.00 15.00 H new ATOM 0 HB2 ASP A 29 -31.623 11.043 14.221 1.00 34.24 H new ATOM 0 HB3 ASP A 29 -31.071 9.607 15.059 1.00 34.24 H new ATOM 469 N PHE A 30 -28.626 12.187 16.368 1.00 10.50 N ATOM 470 CA PHE A 30 -27.174 12.058 16.366 1.00 45.11 C ATOM 471 C PHE A 30 -26.614 12.192 17.779 1.00 25.51 C ATOM 472 O PHE A 30 -27.140 12.943 18.600 1.00 12.13 O ATOM 473 CB PHE A 30 -26.547 13.116 15.455 1.00 14.11 C ATOM 474 CG PHE A 30 -25.097 13.375 15.746 1.00 64.43 C ATOM 475 CD1 PHE A 30 -24.722 14.172 16.815 1.00 32.35 C ATOM 476 CD2 PHE A 30 -24.107 12.820 14.950 1.00 54.23 C ATOM 477 CE1 PHE A 30 -23.388 14.412 17.085 1.00 60.25 C ATOM 478 CE2 PHE A 30 -22.771 13.056 15.214 1.00 14.41 C ATOM 479 CZ PHE A 30 -22.411 13.853 16.284 1.00 74.53 C ATOM 0 H PHE A 30 -28.964 13.139 16.507 1.00 10.50 H new ATOM 0 HA PHE A 30 -26.923 11.067 15.987 1.00 45.11 H new ATOM 0 HB2 PHE A 30 -26.650 12.798 14.418 1.00 14.11 H new ATOM 0 HB3 PHE A 30 -27.102 14.048 15.559 1.00 14.11 H new ATOM 0 HD1 PHE A 30 -25.481 14.611 17.445 1.00 32.35 H new ATOM 0 HD2 PHE A 30 -24.383 12.195 14.113 1.00 54.23 H new ATOM 0 HE1 PHE A 30 -23.110 15.036 17.921 1.00 60.25 H new ATOM 0 HE2 PHE A 30 -22.010 12.618 14.585 1.00 14.41 H new ATOM 0 HZ PHE A 30 -21.368 14.039 16.494 1.00 74.53 H new ATOM 489 N THR A 31 -25.541 11.456 18.056 1.00 35.24 N ATOM 490 CA THR A 31 -24.910 11.489 19.370 1.00 52.55 C ATOM 491 C THR A 31 -23.425 11.814 19.257 1.00 10.34 C ATOM 492 O THR A 31 -22.715 11.241 18.431 1.00 31.21 O ATOM 493 CB THR A 31 -25.076 10.148 20.107 1.00 33.43 C ATOM 494 OG1 THR A 31 -26.455 9.932 20.428 1.00 10.44 O ATOM 495 CG2 THR A 31 -24.244 10.123 21.380 1.00 10.45 C ATOM 0 H THR A 31 -25.091 10.830 17.388 1.00 35.24 H new ATOM 0 HA THR A 31 -25.409 12.272 19.941 1.00 52.55 H new ATOM 0 HB THR A 31 -24.728 9.352 19.449 1.00 33.43 H new ATOM 0 HG1 THR A 31 -26.552 9.076 20.895 1.00 10.44 H new ATOM 0 HG21 THR A 31 -24.378 9.165 21.883 1.00 10.45 H new ATOM 0 HG22 THR A 31 -23.192 10.257 21.130 1.00 10.45 H new ATOM 0 HG23 THR A 31 -24.565 10.928 22.041 1.00 10.45 H new ATOM 503 N ASP A 32 -22.961 12.737 20.094 1.00 73.54 N ATOM 504 CA ASP A 32 -21.559 13.136 20.089 1.00 1.44 C ATOM 505 C ASP A 32 -20.782 12.407 21.181 1.00 35.31 C ATOM 506 O ASP A 32 -21.041 12.592 22.371 1.00 21.12 O ATOM 507 CB ASP A 32 -21.437 14.649 20.284 1.00 71.43 C ATOM 508 CG ASP A 32 -20.423 15.273 19.346 1.00 64.00 C ATOM 509 OD1 ASP A 32 -19.334 14.686 19.174 1.00 73.41 O ATOM 510 OD2 ASP A 32 -20.717 16.349 18.785 1.00 44.52 O ATOM 0 H ASP A 32 -23.535 13.222 20.783 1.00 73.54 H new ATOM 0 HA ASP A 32 -21.133 12.865 19.123 1.00 1.44 H new ATOM 0 HB2 ASP A 32 -22.410 15.113 20.123 1.00 71.43 H new ATOM 0 HB3 ASP A 32 -21.151 14.858 21.315 1.00 71.43 H new ATOM 515 N LEU A 33 -19.831 11.576 20.769 1.00 52.22 N ATOM 516 CA LEU A 33 -19.017 10.817 21.712 1.00 70.14 C ATOM 517 C LEU A 33 -17.542 11.180 21.573 1.00 11.31 C ATOM 518 O LEU A 33 -16.750 10.971 22.493 1.00 54.30 O ATOM 519 CB LEU A 33 -19.208 9.316 21.487 1.00 64.11 C ATOM 520 CG LEU A 33 -18.036 8.581 20.835 1.00 23.34 C ATOM 521 CD1 LEU A 33 -18.387 7.120 20.599 1.00 11.10 C ATOM 522 CD2 LEU A 33 -17.643 9.255 19.529 1.00 71.11 C ATOM 0 H LEU A 33 -19.605 11.411 19.788 1.00 52.22 H new ATOM 0 HA LEU A 33 -19.341 11.071 22.721 1.00 70.14 H new ATOM 0 HB2 LEU A 33 -19.414 8.848 22.450 1.00 64.11 H new ATOM 0 HB3 LEU A 33 -20.092 9.171 20.866 1.00 64.11 H new ATOM 0 HG LEU A 33 -17.183 8.624 21.513 1.00 23.34 H new ATOM 0 HD11 LEU A 33 -17.541 6.613 20.134 1.00 11.10 H new ATOM 0 HD12 LEU A 33 -18.618 6.643 21.551 1.00 11.10 H new ATOM 0 HD13 LEU A 33 -19.254 7.056 19.942 1.00 11.10 H new ATOM 0 HD21 LEU A 33 -16.808 8.718 19.080 1.00 71.11 H new ATOM 0 HD22 LEU A 33 -18.491 9.245 18.845 1.00 71.11 H new ATOM 0 HD23 LEU A 33 -17.348 10.286 19.726 1.00 71.11 H new ATOM 534 N THR A 34 -17.179 11.728 20.417 1.00 23.33 N ATOM 535 CA THR A 34 -15.800 12.122 20.158 1.00 24.53 C ATOM 536 C THR A 34 -15.121 12.617 21.430 1.00 11.02 C ATOM 537 O THR A 34 -15.431 13.698 21.931 1.00 43.52 O ATOM 538 CB THR A 34 -15.722 13.224 19.086 1.00 53.43 C ATOM 539 OG1 THR A 34 -16.706 12.991 18.071 1.00 2.14 O ATOM 540 CG2 THR A 34 -14.338 13.271 18.456 1.00 32.21 C ATOM 0 H THR A 34 -17.821 11.909 19.646 1.00 23.33 H new ATOM 0 HA THR A 34 -15.282 11.235 19.794 1.00 24.53 H new ATOM 0 HB THR A 34 -15.917 14.182 19.568 1.00 53.43 H new ATOM 0 HG1 THR A 34 -16.638 12.066 17.755 1.00 2.14 H new ATOM 0 HG21 THR A 34 -14.308 14.057 17.702 1.00 32.21 H new ATOM 0 HG22 THR A 34 -13.595 13.478 19.226 1.00 32.21 H new ATOM 0 HG23 THR A 34 -14.118 12.311 17.988 1.00 32.21 H new ATOM 727 N GLN A 45 -11.086 10.468 16.569 1.00 74.21 N ATOM 728 CA GLN A 45 -10.732 10.336 15.161 1.00 63.02 C ATOM 729 C GLN A 45 -11.952 10.544 14.270 1.00 32.21 C ATOM 730 O GLN A 45 -12.073 9.925 13.212 1.00 0.23 O ATOM 731 CB GLN A 45 -10.119 8.960 14.894 1.00 33.20 C ATOM 732 CG GLN A 45 -11.145 7.897 14.532 1.00 3.51 C ATOM 733 CD GLN A 45 -10.937 6.603 15.293 1.00 63.44 C ATOM 734 OE1 GLN A 45 -10.178 6.553 16.261 1.00 64.12 O ATOM 735 NE2 GLN A 45 -11.612 5.545 14.857 1.00 2.24 N ATOM 0 HA GLN A 45 -9.997 11.105 14.924 1.00 63.02 H new ATOM 0 HB2 GLN A 45 -9.395 9.045 14.084 1.00 33.20 H new ATOM 0 HB3 GLN A 45 -9.571 8.638 15.779 1.00 33.20 H new ATOM 0 HG2 GLN A 45 -12.145 8.278 14.737 1.00 3.51 H new ATOM 0 HG3 GLN A 45 -11.093 7.697 13.462 1.00 3.51 H new ATOM 0 HE21 GLN A 45 -12.231 5.632 14.051 1.00 2.24 H new ATOM 0 HE22 GLN A 45 -11.512 4.646 15.329 1.00 2.24 H new ATOM 744 N ILE A 46 -12.854 11.417 14.705 1.00 1.32 N ATOM 745 CA ILE A 46 -14.064 11.707 13.947 1.00 75.45 C ATOM 746 C ILE A 46 -15.177 10.721 14.289 1.00 4.22 C ATOM 747 O ILE A 46 -16.337 10.932 13.936 1.00 52.24 O ATOM 748 CB ILE A 46 -13.803 11.661 12.430 1.00 64.35 C ATOM 749 CG1 ILE A 46 -14.505 12.828 11.733 1.00 33.11 C ATOM 750 CG2 ILE A 46 -14.270 10.333 11.851 1.00 4.14 C ATOM 751 CD1 ILE A 46 -13.575 13.964 11.372 1.00 41.52 C ATOM 0 H ILE A 46 -12.769 11.936 15.579 1.00 1.32 H new ATOM 0 HA ILE A 46 -14.375 12.714 14.224 1.00 75.45 H new ATOM 0 HB ILE A 46 -12.730 11.753 12.259 1.00 64.35 H new ATOM 0 HG12 ILE A 46 -14.987 12.462 10.827 1.00 33.11 H new ATOM 0 HG13 ILE A 46 -15.294 13.207 12.383 1.00 33.11 H new ATOM 0 HG21 ILE A 46 -14.079 10.316 10.778 1.00 4.14 H new ATOM 0 HG22 ILE A 46 -13.728 9.517 12.329 1.00 4.14 H new ATOM 0 HG23 ILE A 46 -15.338 10.213 12.031 1.00 4.14 H new ATOM 0 HD11 ILE A 46 -14.141 14.756 10.881 1.00 41.52 H new ATOM 0 HD12 ILE A 46 -13.112 14.357 12.277 1.00 41.52 H new ATOM 0 HD13 ILE A 46 -12.801 13.600 10.697 1.00 41.52 H new ATOM 763 N ILE A 47 -14.815 9.646 14.981 1.00 44.12 N ATOM 764 CA ILE A 47 -15.782 8.630 15.374 1.00 35.40 C ATOM 765 C ILE A 47 -16.971 9.253 16.098 1.00 1.11 C ATOM 766 O ILE A 47 -16.834 10.272 16.776 1.00 22.41 O ATOM 767 CB ILE A 47 -15.142 7.565 16.284 1.00 33.30 C ATOM 768 CG1 ILE A 47 -14.740 8.183 17.624 1.00 1.15 C ATOM 769 CG2 ILE A 47 -13.936 6.939 15.600 1.00 51.12 C ATOM 770 CD1 ILE A 47 -13.760 9.328 17.492 1.00 72.10 C ATOM 0 H ILE A 47 -13.859 9.457 15.281 1.00 44.12 H new ATOM 0 HA ILE A 47 -16.127 8.152 14.457 1.00 35.40 H new ATOM 0 HB ILE A 47 -15.876 6.781 16.472 1.00 33.30 H new ATOM 0 HG12 ILE A 47 -15.635 8.539 18.134 1.00 1.15 H new ATOM 0 HG13 ILE A 47 -14.300 7.410 18.254 1.00 1.15 H new ATOM 0 HG21 ILE A 47 -13.495 6.188 16.256 1.00 51.12 H new ATOM 0 HG22 ILE A 47 -14.250 6.468 14.669 1.00 51.12 H new ATOM 0 HG23 ILE A 47 -13.198 7.712 15.385 1.00 51.12 H new ATOM 0 HD11 ILE A 47 -13.520 9.717 18.481 1.00 72.10 H new ATOM 0 HD12 ILE A 47 -12.849 8.973 17.011 1.00 72.10 H new ATOM 0 HD13 ILE A 47 -14.204 10.120 16.889 1.00 72.10 H new ATOM 782 N PHE A 48 -18.137 8.634 15.951 1.00 34.33 N ATOM 783 CA PHE A 48 -19.351 9.127 16.592 1.00 1.11 C ATOM 784 C PHE A 48 -20.419 8.039 16.645 1.00 21.44 C ATOM 785 O PHE A 48 -20.339 7.041 15.929 1.00 2.22 O ATOM 786 CB PHE A 48 -19.888 10.348 15.843 1.00 52.31 C ATOM 787 CG PHE A 48 -20.420 10.027 14.476 1.00 75.52 C ATOM 788 CD1 PHE A 48 -19.557 9.828 13.411 1.00 62.13 C ATOM 789 CD2 PHE A 48 -21.785 9.923 14.256 1.00 44.24 C ATOM 790 CE1 PHE A 48 -20.043 9.531 12.151 1.00 13.33 C ATOM 791 CE2 PHE A 48 -22.277 9.626 12.999 1.00 43.43 C ATOM 792 CZ PHE A 48 -21.405 9.431 11.945 1.00 12.40 C ATOM 0 H PHE A 48 -18.268 7.790 15.394 1.00 34.33 H new ATOM 0 HA PHE A 48 -19.101 9.416 17.613 1.00 1.11 H new ATOM 0 HB2 PHE A 48 -20.681 10.807 16.434 1.00 52.31 H new ATOM 0 HB3 PHE A 48 -19.092 11.086 15.750 1.00 52.31 H new ATOM 0 HD1 PHE A 48 -18.491 9.906 13.567 1.00 62.13 H new ATOM 0 HD2 PHE A 48 -22.471 10.076 15.076 1.00 44.24 H new ATOM 0 HE1 PHE A 48 -19.359 9.378 11.330 1.00 13.33 H new ATOM 0 HE2 PHE A 48 -23.342 9.546 12.841 1.00 43.43 H new ATOM 0 HZ PHE A 48 -21.788 9.201 10.962 1.00 12.40 H new ATOM 802 N GLU A 49 -21.417 8.239 17.500 1.00 74.21 N ATOM 803 CA GLU A 49 -22.500 7.274 17.648 1.00 74.32 C ATOM 804 C GLU A 49 -23.815 7.847 17.127 1.00 12.54 C ATOM 805 O GLU A 49 -23.970 9.063 17.008 1.00 1.34 O ATOM 806 CB GLU A 49 -22.654 6.867 19.115 1.00 70.11 C ATOM 807 CG GLU A 49 -21.336 6.791 19.867 1.00 42.23 C ATOM 808 CD GLU A 49 -21.526 6.630 21.363 1.00 42.25 C ATOM 809 OE1 GLU A 49 -21.622 5.476 21.828 1.00 34.30 O ATOM 810 OE2 GLU A 49 -21.577 7.660 22.067 1.00 34.15 O ATOM 0 H GLU A 49 -21.498 9.060 18.100 1.00 74.21 H new ATOM 0 HA GLU A 49 -22.249 6.392 17.058 1.00 74.32 H new ATOM 0 HB2 GLU A 49 -23.307 7.582 19.615 1.00 70.11 H new ATOM 0 HB3 GLU A 49 -23.147 5.896 19.164 1.00 70.11 H new ATOM 0 HG2 GLU A 49 -20.753 5.953 19.486 1.00 42.23 H new ATOM 0 HG3 GLU A 49 -20.759 7.695 19.673 1.00 42.23 H new ATOM 817 N ILE A 50 -24.758 6.964 16.819 1.00 73.13 N ATOM 818 CA ILE A 50 -26.059 7.382 16.312 1.00 74.13 C ATOM 819 C ILE A 50 -27.188 6.620 16.999 1.00 63.04 C ATOM 820 O ILE A 50 -27.062 5.430 17.290 1.00 4.10 O ATOM 821 CB ILE A 50 -26.165 7.171 14.790 1.00 61.13 C ATOM 822 CG1 ILE A 50 -25.390 8.261 14.047 1.00 41.22 C ATOM 823 CG2 ILE A 50 -27.623 7.161 14.356 1.00 31.01 C ATOM 824 CD1 ILE A 50 -25.965 9.647 14.237 1.00 5.45 C ATOM 0 H ILE A 50 -24.646 5.954 16.912 1.00 73.13 H new ATOM 0 HA ILE A 50 -26.155 8.445 16.531 1.00 74.13 H new ATOM 0 HB ILE A 50 -25.726 6.205 14.541 1.00 61.13 H new ATOM 0 HG12 ILE A 50 -24.355 8.256 14.388 1.00 41.22 H new ATOM 0 HG13 ILE A 50 -25.376 8.025 12.983 1.00 41.22 H new ATOM 0 HG21 ILE A 50 -27.681 7.011 13.278 1.00 31.01 H new ATOM 0 HG22 ILE A 50 -28.148 6.352 14.864 1.00 31.01 H new ATOM 0 HG23 ILE A 50 -28.086 8.113 14.615 1.00 31.01 H new ATOM 0 HD11 ILE A 50 -25.366 10.369 13.682 1.00 5.45 H new ATOM 0 HD12 ILE A 50 -26.991 9.669 13.870 1.00 5.45 H new ATOM 0 HD13 ILE A 50 -25.953 9.904 15.296 1.00 5.45 H new ATOM 836 N THR A 51 -28.293 7.313 17.254 1.00 51.22 N ATOM 837 CA THR A 51 -29.445 6.703 17.906 1.00 63.43 C ATOM 838 C THR A 51 -30.339 5.996 16.893 1.00 23.33 C ATOM 839 O THR A 51 -30.715 6.573 15.872 1.00 33.14 O ATOM 840 CB THR A 51 -30.279 7.749 18.668 1.00 53.33 C ATOM 841 OG1 THR A 51 -29.460 8.423 19.630 1.00 33.52 O ATOM 842 CG2 THR A 51 -31.460 7.094 19.368 1.00 1.24 C ATOM 0 H THR A 51 -28.415 8.298 17.019 1.00 51.22 H new ATOM 0 HA THR A 51 -29.056 5.973 18.616 1.00 63.43 H new ATOM 0 HB THR A 51 -30.661 8.472 17.947 1.00 53.33 H new ATOM 0 HG1 THR A 51 -29.998 9.088 20.109 1.00 33.52 H new ATOM 0 HG21 THR A 51 -32.034 7.853 19.900 1.00 1.24 H new ATOM 0 HG22 THR A 51 -32.097 6.608 18.629 1.00 1.24 H new ATOM 0 HG23 THR A 51 -31.096 6.351 20.078 1.00 1.24 H new ATOM 850 N LEU A 52 -30.676 4.744 17.182 1.00 71.30 N ATOM 851 CA LEU A 52 -31.528 3.957 16.296 1.00 3.23 C ATOM 852 C LEU A 52 -32.588 3.201 17.090 1.00 21.14 C ATOM 853 O LEU A 52 -32.407 2.920 18.275 1.00 14.55 O ATOM 854 CB LEU A 52 -30.683 2.973 15.485 1.00 1.05 C ATOM 855 CG LEU A 52 -29.985 3.546 14.251 1.00 33.41 C ATOM 856 CD1 LEU A 52 -29.435 2.426 13.382 1.00 64.13 C ATOM 857 CD2 LEU A 52 -30.943 4.420 13.455 1.00 60.23 C ATOM 0 H LEU A 52 -30.373 4.252 18.022 1.00 71.30 H new ATOM 0 HA LEU A 52 -32.032 4.642 15.614 1.00 3.23 H new ATOM 0 HB2 LEU A 52 -29.924 2.549 16.143 1.00 1.05 H new ATOM 0 HB3 LEU A 52 -31.324 2.151 15.166 1.00 1.05 H new ATOM 0 HG LEU A 52 -29.151 4.164 14.582 1.00 33.41 H new ATOM 0 HD11 LEU A 52 -28.942 2.852 12.508 1.00 64.13 H new ATOM 0 HD12 LEU A 52 -28.716 1.840 13.955 1.00 64.13 H new ATOM 0 HD13 LEU A 52 -30.252 1.781 13.059 1.00 64.13 H new ATOM 0 HD21 LEU A 52 -30.430 4.820 12.580 1.00 60.23 H new ATOM 0 HD22 LEU A 52 -31.797 3.824 13.134 1.00 60.23 H new ATOM 0 HD23 LEU A 52 -31.289 5.243 14.080 1.00 60.23 H new ATOM 869 N ARG A 53 -33.693 2.872 16.429 1.00 63.01 N ATOM 870 CA ARG A 53 -34.781 2.147 17.073 1.00 54.03 C ATOM 871 C ARG A 53 -35.871 1.794 16.064 1.00 0.43 C ATOM 872 O ARG A 53 -35.903 2.332 14.957 1.00 35.42 O ATOM 873 CB ARG A 53 -35.375 2.980 18.210 1.00 2.23 C ATOM 874 CG ARG A 53 -36.027 4.271 17.743 1.00 12.25 C ATOM 875 CD ARG A 53 -35.177 5.483 18.092 1.00 63.34 C ATOM 876 NE ARG A 53 -35.525 6.040 19.396 1.00 73.31 N ATOM 877 CZ ARG A 53 -36.688 6.626 19.657 1.00 0.54 C ATOM 878 NH1 ARG A 53 -37.609 6.732 18.710 1.00 71.14 N ATOM 879 NH2 ARG A 53 -36.931 7.109 20.869 1.00 33.13 N ATOM 0 H ARG A 53 -33.858 3.096 15.448 1.00 63.01 H new ATOM 0 HA ARG A 53 -34.375 1.222 17.483 1.00 54.03 H new ATOM 0 HB2 ARG A 53 -36.115 2.380 18.740 1.00 2.23 H new ATOM 0 HB3 ARG A 53 -34.587 3.219 18.924 1.00 2.23 H new ATOM 0 HG2 ARG A 53 -36.182 4.232 16.665 1.00 12.25 H new ATOM 0 HG3 ARG A 53 -37.010 4.370 18.203 1.00 12.25 H new ATOM 0 HD2 ARG A 53 -34.124 5.200 18.088 1.00 63.34 H new ATOM 0 HD3 ARG A 53 -35.305 6.248 17.326 1.00 63.34 H new ATOM 0 HE ARG A 53 -34.838 5.976 20.147 1.00 73.31 H new ATOM 0 HH11 ARG A 53 -37.426 6.363 17.777 1.00 71.14 H new ATOM 0 HH12 ARG A 53 -38.501 7.183 18.914 1.00 71.14 H new ATOM 0 HH21 ARG A 53 -36.224 7.030 21.600 1.00 33.13 H new ATOM 0 HH22 ARG A 53 -37.824 7.559 21.069 1.00 33.13 H new ATOM 893 N SER A 54 -36.761 0.888 16.455 1.00 20.22 N ATOM 894 CA SER A 54 -37.849 0.460 15.584 1.00 34.02 C ATOM 895 C SER A 54 -38.663 1.658 15.103 1.00 30.42 C ATOM 896 O SER A 54 -38.483 2.778 15.582 1.00 71.44 O ATOM 897 CB SER A 54 -38.759 -0.528 16.317 1.00 11.21 C ATOM 898 OG SER A 54 -38.776 -1.786 15.665 1.00 0.11 O ATOM 0 H SER A 54 -36.750 0.436 17.369 1.00 20.22 H new ATOM 0 HA SER A 54 -37.413 -0.034 14.715 1.00 34.02 H new ATOM 0 HB2 SER A 54 -38.414 -0.652 17.344 1.00 11.21 H new ATOM 0 HB3 SER A 54 -39.771 -0.127 16.367 1.00 11.21 H new ATOM 0 HG SER A 54 -39.363 -2.400 16.154 1.00 0.11 H new ATOM 904 N VAL A 55 -39.560 1.413 14.153 1.00 65.23 N ATOM 905 CA VAL A 55 -40.403 2.469 13.606 1.00 5.54 C ATOM 906 C VAL A 55 -41.636 2.692 14.474 1.00 73.11 C ATOM 907 O VAL A 55 -42.243 3.763 14.445 1.00 74.41 O ATOM 908 CB VAL A 55 -40.851 2.143 12.169 1.00 2.34 C ATOM 909 CG1 VAL A 55 -39.664 2.180 11.218 1.00 32.45 C ATOM 910 CG2 VAL A 55 -41.542 0.789 12.122 1.00 65.23 C ATOM 0 H VAL A 55 -39.721 0.492 13.746 1.00 65.23 H new ATOM 0 HA VAL A 55 -39.802 3.379 13.593 1.00 5.54 H new ATOM 0 HB VAL A 55 -41.565 2.901 11.848 1.00 2.34 H new ATOM 0 HG11 VAL A 55 -40.000 1.947 10.208 1.00 32.45 H new ATOM 0 HG12 VAL A 55 -39.217 3.174 11.232 1.00 32.45 H new ATOM 0 HG13 VAL A 55 -38.923 1.445 11.532 1.00 32.45 H new ATOM 0 HG21 VAL A 55 -41.852 0.574 11.099 1.00 65.23 H new ATOM 0 HG22 VAL A 55 -40.852 0.016 12.462 1.00 65.23 H new ATOM 0 HG23 VAL A 55 -42.418 0.805 12.771 1.00 65.23 H new ATOM 920 N ASP A 56 -42.001 1.674 15.245 1.00 35.03 N ATOM 921 CA ASP A 56 -43.163 1.758 16.123 1.00 3.24 C ATOM 922 C ASP A 56 -42.746 1.654 17.587 1.00 21.41 C ATOM 923 O ASP A 56 -41.558 1.574 17.902 1.00 73.43 O ATOM 924 CB ASP A 56 -44.165 0.654 15.786 1.00 75.24 C ATOM 925 CG ASP A 56 -45.597 1.154 15.777 1.00 44.00 C ATOM 926 OD1 ASP A 56 -46.065 1.595 14.706 1.00 30.22 O ATOM 927 OD2 ASP A 56 -46.249 1.104 16.841 1.00 65.03 O ATOM 0 H ASP A 56 -41.509 0.781 15.280 1.00 35.03 H new ATOM 0 HA ASP A 56 -43.636 2.727 15.966 1.00 3.24 H new ATOM 0 HB2 ASP A 56 -43.924 0.234 14.809 1.00 75.24 H new ATOM 0 HB3 ASP A 56 -44.070 -0.153 16.512 1.00 75.24 H new ATOM 932 N LYS A 57 -43.731 1.656 18.479 1.00 22.10 N ATOM 933 CA LYS A 57 -43.468 1.561 19.910 1.00 1.21 C ATOM 934 C LYS A 57 -44.043 0.271 20.485 1.00 72.43 C ATOM 935 O LYS A 57 -43.810 -0.059 21.647 1.00 61.52 O ATOM 936 CB LYS A 57 -44.064 2.767 20.640 1.00 41.11 C ATOM 937 CG LYS A 57 -43.606 4.103 20.082 1.00 43.34 C ATOM 938 CD LYS A 57 -42.108 4.294 20.250 1.00 64.33 C ATOM 939 CE LYS A 57 -41.795 5.401 21.244 1.00 43.41 C ATOM 940 NZ LYS A 57 -41.994 6.752 20.650 1.00 42.41 N ATOM 0 H LYS A 57 -44.719 1.722 18.236 1.00 22.10 H new ATOM 0 HA LYS A 57 -42.388 1.553 20.055 1.00 1.21 H new ATOM 0 HB2 LYS A 57 -45.151 2.713 20.585 1.00 41.11 H new ATOM 0 HB3 LYS A 57 -43.795 2.712 21.695 1.00 41.11 H new ATOM 0 HG2 LYS A 57 -43.865 4.165 19.025 1.00 43.34 H new ATOM 0 HG3 LYS A 57 -44.136 4.910 20.588 1.00 43.34 H new ATOM 0 HD2 LYS A 57 -41.657 3.361 20.589 1.00 64.33 H new ATOM 0 HD3 LYS A 57 -41.660 4.533 19.285 1.00 64.33 H new ATOM 0 HE2 LYS A 57 -42.433 5.292 22.121 1.00 43.41 H new ATOM 0 HE3 LYS A 57 -40.764 5.302 21.585 1.00 43.41 H new ATOM 0 HZ1 LYS A 57 -41.770 7.479 21.359 1.00 42.41 H new ATOM 0 HZ2 LYS A 57 -41.367 6.866 19.828 1.00 42.41 H new ATOM 0 HZ3 LYS A 57 -42.984 6.856 20.348 1.00 42.41 H new ATOM 954 N GLU A 58 -44.794 -0.455 19.662 1.00 33.11 N ATOM 955 CA GLU A 58 -45.402 -1.710 20.090 1.00 5.21 C ATOM 956 C GLU A 58 -45.093 -2.829 19.100 1.00 61.21 C ATOM 957 O GLU A 58 -44.953 -2.607 17.897 1.00 74.20 O ATOM 958 CB GLU A 58 -46.916 -1.546 20.235 1.00 1.34 C ATOM 959 CG GLU A 58 -47.319 -0.518 21.280 1.00 74.52 C ATOM 960 CD GLU A 58 -48.824 -0.390 21.421 1.00 43.33 C ATOM 961 OE1 GLU A 58 -49.413 -1.151 22.216 1.00 0.42 O ATOM 962 OE2 GLU A 58 -49.411 0.473 20.735 1.00 54.01 O ATOM 0 H GLU A 58 -44.996 -0.196 18.696 1.00 33.11 H new ATOM 0 HA GLU A 58 -44.979 -1.977 21.058 1.00 5.21 H new ATOM 0 HB2 GLU A 58 -47.336 -1.256 19.272 1.00 1.34 H new ATOM 0 HB3 GLU A 58 -47.354 -2.509 20.497 1.00 1.34 H new ATOM 0 HG2 GLU A 58 -46.890 -0.796 22.243 1.00 74.52 H new ATOM 0 HG3 GLU A 58 -46.899 0.451 21.012 1.00 74.52 H new ATOM 969 N PRO A 59 -44.983 -4.062 19.617 1.00 61.02 N ATOM 970 CA PRO A 59 -45.146 -4.338 21.047 1.00 34.21 C ATOM 971 C PRO A 59 -43.998 -3.780 21.880 1.00 24.33 C ATOM 972 O PRO A 59 -44.008 -3.867 23.108 1.00 35.42 O ATOM 973 CB PRO A 59 -45.162 -5.867 21.114 1.00 63.44 C ATOM 974 CG PRO A 59 -44.406 -6.307 19.907 1.00 10.42 C ATOM 975 CD PRO A 59 -44.690 -5.281 18.845 1.00 60.24 C ATOM 0 HA PRO A 59 -46.044 -3.871 21.452 1.00 34.21 H new ATOM 0 HB2 PRO A 59 -44.692 -6.228 22.029 1.00 63.44 H new ATOM 0 HB3 PRO A 59 -46.181 -6.253 21.105 1.00 63.44 H new ATOM 0 HG2 PRO A 59 -43.338 -6.367 20.116 1.00 10.42 H new ATOM 0 HG3 PRO A 59 -44.725 -7.299 19.587 1.00 10.42 H new ATOM 0 HD2 PRO A 59 -43.836 -5.141 18.183 1.00 60.24 H new ATOM 0 HD3 PRO A 59 -45.534 -5.573 18.220 1.00 60.24 H new ATOM 983 N VAL A 60 -43.007 -3.206 21.205 1.00 70.32 N ATOM 984 CA VAL A 60 -41.851 -2.632 21.883 1.00 31.42 C ATOM 985 C VAL A 60 -41.297 -1.440 21.111 1.00 21.24 C ATOM 986 O VAL A 60 -41.807 -1.085 20.050 1.00 50.15 O ATOM 987 CB VAL A 60 -40.733 -3.676 22.067 1.00 50.30 C ATOM 988 CG1 VAL A 60 -41.258 -4.897 22.807 1.00 50.42 C ATOM 989 CG2 VAL A 60 -40.146 -4.070 20.720 1.00 11.20 C ATOM 0 H VAL A 60 -42.982 -3.126 20.188 1.00 70.32 H new ATOM 0 HA VAL A 60 -42.192 -2.299 22.863 1.00 31.42 H new ATOM 0 HB VAL A 60 -39.940 -3.231 22.668 1.00 50.30 H new ATOM 0 HG11 VAL A 60 -40.454 -5.623 22.927 1.00 50.42 H new ATOM 0 HG12 VAL A 60 -41.626 -4.597 23.788 1.00 50.42 H new ATOM 0 HG13 VAL A 60 -42.071 -5.347 22.236 1.00 50.42 H new ATOM 0 HG21 VAL A 60 -39.358 -4.808 20.868 1.00 11.20 H new ATOM 0 HG22 VAL A 60 -40.929 -4.496 20.093 1.00 11.20 H new ATOM 0 HG23 VAL A 60 -39.730 -3.188 20.232 1.00 11.20 H new ATOM 999 N GLU A 61 -40.249 -0.827 21.653 1.00 50.11 N ATOM 1000 CA GLU A 61 -39.626 0.326 21.014 1.00 3.43 C ATOM 1001 C GLU A 61 -38.275 -0.050 20.411 1.00 13.52 C ATOM 1002 O GLU A 61 -37.736 0.671 19.572 1.00 50.42 O ATOM 1003 CB GLU A 61 -39.447 1.462 22.024 1.00 33.01 C ATOM 1004 CG GLU A 61 -38.305 2.405 21.685 1.00 61.54 C ATOM 1005 CD GLU A 61 -38.457 3.764 22.338 1.00 42.51 C ATOM 1006 OE1 GLU A 61 -39.421 3.948 23.110 1.00 42.11 O ATOM 1007 OE2 GLU A 61 -37.611 4.645 22.077 1.00 43.23 O ATOM 0 H GLU A 61 -39.814 -1.109 22.532 1.00 50.11 H new ATOM 0 HA GLU A 61 -40.282 0.663 20.211 1.00 3.43 H new ATOM 0 HB2 GLU A 61 -40.373 2.033 22.083 1.00 33.01 H new ATOM 0 HB3 GLU A 61 -39.273 1.035 23.011 1.00 33.01 H new ATOM 0 HG2 GLU A 61 -37.363 1.957 22.002 1.00 61.54 H new ATOM 0 HG3 GLU A 61 -38.251 2.530 20.604 1.00 61.54 H new ATOM 1014 N SER A 62 -37.735 -1.183 20.846 1.00 25.22 N ATOM 1015 CA SER A 62 -36.445 -1.654 20.353 1.00 13.44 C ATOM 1016 C SER A 62 -35.516 -0.480 20.056 1.00 34.33 C ATOM 1017 O SER A 62 -35.510 0.055 18.948 1.00 1.40 O ATOM 1018 CB SER A 62 -36.635 -2.500 19.093 1.00 32.24 C ATOM 1019 OG SER A 62 -37.849 -3.230 19.147 1.00 2.13 O ATOM 0 H SER A 62 -38.170 -1.792 21.539 1.00 25.22 H new ATOM 0 HA SER A 62 -35.989 -2.269 21.129 1.00 13.44 H new ATOM 0 HB2 SER A 62 -36.634 -1.855 18.214 1.00 32.24 H new ATOM 0 HB3 SER A 62 -35.797 -3.189 18.984 1.00 32.24 H new ATOM 0 HG SER A 62 -37.948 -3.761 18.330 1.00 2.13 H new ATOM 1025 N SER A 63 -34.733 -0.086 21.055 1.00 22.41 N ATOM 1026 CA SER A 63 -33.802 1.026 20.903 1.00 21.34 C ATOM 1027 C SER A 63 -32.358 0.538 20.966 1.00 23.20 C ATOM 1028 O SER A 63 -31.944 -0.085 21.944 1.00 24.21 O ATOM 1029 CB SER A 63 -34.046 2.074 21.991 1.00 45.13 C ATOM 1030 OG SER A 63 -33.086 3.114 21.920 1.00 0.51 O ATOM 0 H SER A 63 -34.725 -0.520 21.978 1.00 22.41 H new ATOM 0 HA SER A 63 -33.971 1.479 19.926 1.00 21.34 H new ATOM 0 HB2 SER A 63 -35.047 2.491 21.881 1.00 45.13 H new ATOM 0 HB3 SER A 63 -34.003 1.601 22.972 1.00 45.13 H new ATOM 0 HG SER A 63 -33.264 3.772 22.624 1.00 0.51 H new ATOM 1036 N ILE A 64 -31.597 0.826 19.916 1.00 63.44 N ATOM 1037 CA ILE A 64 -30.199 0.418 19.851 1.00 61.41 C ATOM 1038 C ILE A 64 -29.321 1.546 19.320 1.00 60.43 C ATOM 1039 O ILE A 64 -29.693 2.246 18.377 1.00 4.25 O ATOM 1040 CB ILE A 64 -30.016 -0.824 18.958 1.00 24.24 C ATOM 1041 CG1 ILE A 64 -31.005 -1.919 19.362 1.00 60.44 C ATOM 1042 CG2 ILE A 64 -28.585 -1.335 19.049 1.00 35.11 C ATOM 1043 CD1 ILE A 64 -30.802 -3.221 18.618 1.00 43.10 C ATOM 0 H ILE A 64 -31.925 1.340 19.098 1.00 63.44 H new ATOM 0 HA ILE A 64 -29.894 0.172 20.868 1.00 61.41 H new ATOM 0 HB ILE A 64 -30.216 -0.543 17.924 1.00 24.24 H new ATOM 0 HG12 ILE A 64 -30.913 -2.103 20.432 1.00 60.44 H new ATOM 0 HG13 ILE A 64 -32.020 -1.564 19.186 1.00 60.44 H new ATOM 0 HG21 ILE A 64 -28.471 -2.213 18.413 1.00 35.11 H new ATOM 0 HG22 ILE A 64 -27.899 -0.555 18.718 1.00 35.11 H new ATOM 0 HG23 ILE A 64 -28.359 -1.603 20.081 1.00 35.11 H new ATOM 0 HD11 ILE A 64 -31.538 -3.951 18.955 1.00 43.10 H new ATOM 0 HD12 ILE A 64 -30.923 -3.051 17.548 1.00 43.10 H new ATOM 0 HD13 ILE A 64 -29.799 -3.600 18.814 1.00 43.10 H new ATOM 1055 N THR A 65 -28.152 1.716 19.929 1.00 22.53 N ATOM 1056 CA THR A 65 -27.220 2.758 19.518 1.00 63.30 C ATOM 1057 C THR A 65 -26.054 2.172 18.729 1.00 1.52 C ATOM 1058 O THR A 65 -25.241 1.420 19.269 1.00 75.15 O ATOM 1059 CB THR A 65 -26.668 3.529 20.732 1.00 62.22 C ATOM 1060 OG1 THR A 65 -27.743 4.133 21.459 1.00 74.12 O ATOM 1061 CG2 THR A 65 -25.683 4.601 20.290 1.00 62.52 C ATOM 0 H THR A 65 -27.828 1.145 20.709 1.00 22.53 H new ATOM 0 HA THR A 65 -27.776 3.447 18.882 1.00 63.30 H new ATOM 0 HB THR A 65 -26.146 2.822 21.377 1.00 62.22 H new ATOM 0 HG1 THR A 65 -27.384 4.620 22.230 1.00 74.12 H new ATOM 0 HG21 THR A 65 -25.307 5.132 21.164 1.00 62.52 H new ATOM 0 HG22 THR A 65 -24.851 4.135 19.762 1.00 62.52 H new ATOM 0 HG23 THR A 65 -26.185 5.305 19.626 1.00 62.52 H new ATOM 1069 N LEU A 66 -25.976 2.523 17.450 1.00 32.31 N ATOM 1070 CA LEU A 66 -24.908 2.032 16.586 1.00 2.32 C ATOM 1071 C LEU A 66 -23.736 3.008 16.562 1.00 3.13 C ATOM 1072 O LEU A 66 -23.854 4.125 16.057 1.00 30.11 O ATOM 1073 CB LEU A 66 -25.433 1.814 15.166 1.00 32.23 C ATOM 1074 CG LEU A 66 -25.818 0.378 14.806 1.00 10.45 C ATOM 1075 CD1 LEU A 66 -26.351 0.309 13.384 1.00 44.13 C ATOM 1076 CD2 LEU A 66 -24.626 -0.552 14.978 1.00 71.14 C ATOM 0 H LEU A 66 -26.639 3.145 16.988 1.00 32.31 H new ATOM 0 HA LEU A 66 -24.558 1.081 16.987 1.00 2.32 H new ATOM 0 HB2 LEU A 66 -26.306 2.450 15.021 1.00 32.23 H new ATOM 0 HB3 LEU A 66 -24.672 2.152 14.463 1.00 32.23 H new ATOM 0 HG LEU A 66 -26.608 0.052 15.483 1.00 10.45 H new ATOM 0 HD11 LEU A 66 -26.620 -0.720 13.146 1.00 44.13 H new ATOM 0 HD12 LEU A 66 -27.232 0.944 13.295 1.00 44.13 H new ATOM 0 HD13 LEU A 66 -25.584 0.653 12.691 1.00 44.13 H new ATOM 0 HD21 LEU A 66 -24.918 -1.569 14.718 1.00 71.14 H new ATOM 0 HD22 LEU A 66 -23.815 -0.229 14.325 1.00 71.14 H new ATOM 0 HD23 LEU A 66 -24.290 -0.525 16.015 1.00 71.14 H new ATOM 1088 N HIS A 67 -22.603 2.578 17.110 1.00 13.32 N ATOM 1089 CA HIS A 67 -21.408 3.413 17.149 1.00 1.23 C ATOM 1090 C HIS A 67 -20.383 2.943 16.121 1.00 12.23 C ATOM 1091 O HIS A 67 -19.818 1.857 16.245 1.00 24.34 O ATOM 1092 CB HIS A 67 -20.791 3.392 18.548 1.00 1.01 C ATOM 1093 CG HIS A 67 -19.397 3.939 18.596 1.00 33.53 C ATOM 1094 ND1 HIS A 67 -19.040 5.141 18.023 1.00 31.32 N ATOM 1095 CD2 HIS A 67 -18.270 3.440 19.156 1.00 41.52 C ATOM 1096 CE1 HIS A 67 -17.753 5.358 18.226 1.00 21.44 C ATOM 1097 NE2 HIS A 67 -17.262 4.341 18.912 1.00 72.11 N ATOM 0 H HIS A 67 -22.488 1.657 17.533 1.00 13.32 H new ATOM 0 HA HIS A 67 -21.700 4.434 16.904 1.00 1.23 H new ATOM 0 HB2 HIS A 67 -21.422 3.969 19.223 1.00 1.01 H new ATOM 0 HB3 HIS A 67 -20.783 2.367 18.917 1.00 1.01 H new ATOM 0 HD1 HIS A 67 -19.671 5.765 17.521 1.00 31.32 H new ATOM 0 HD2 HIS A 67 -18.180 2.508 19.694 1.00 41.52 H new ATOM 0 HE1 HIS A 67 -17.197 6.220 17.889 1.00 21.44 H new ATOM 1105 N PHE A 68 -20.150 3.768 15.106 1.00 44.20 N ATOM 1106 CA PHE A 68 -19.194 3.436 14.055 1.00 14.23 C ATOM 1107 C PHE A 68 -17.894 4.213 14.237 1.00 2.14 C ATOM 1108 O PHE A 68 -17.907 5.392 14.589 1.00 42.55 O ATOM 1109 CB PHE A 68 -19.793 3.736 12.679 1.00 4.44 C ATOM 1110 CG PHE A 68 -21.212 4.225 12.736 1.00 3.04 C ATOM 1111 CD1 PHE A 68 -21.501 5.503 13.186 1.00 42.43 C ATOM 1112 CD2 PHE A 68 -22.257 3.406 12.341 1.00 22.42 C ATOM 1113 CE1 PHE A 68 -22.806 5.956 13.239 1.00 4.30 C ATOM 1114 CE2 PHE A 68 -23.563 3.853 12.392 1.00 54.11 C ATOM 1115 CZ PHE A 68 -23.838 5.129 12.843 1.00 53.55 C ATOM 0 H PHE A 68 -20.610 4.671 14.988 1.00 44.20 H new ATOM 0 HA PHE A 68 -18.972 2.371 14.123 1.00 14.23 H new ATOM 0 HB2 PHE A 68 -19.179 4.485 12.180 1.00 4.44 H new ATOM 0 HB3 PHE A 68 -19.753 2.833 12.069 1.00 4.44 H new ATOM 0 HD1 PHE A 68 -20.697 6.153 13.499 1.00 42.43 H new ATOM 0 HD2 PHE A 68 -22.048 2.406 11.989 1.00 22.42 H new ATOM 0 HE1 PHE A 68 -23.018 6.955 13.590 1.00 4.30 H new ATOM 0 HE2 PHE A 68 -24.369 3.205 12.079 1.00 54.11 H new ATOM 0 HZ PHE A 68 -24.859 5.479 12.886 1.00 53.55 H new ATOM 1125 N ALA A 69 -16.772 3.542 13.996 1.00 11.25 N ATOM 1126 CA ALA A 69 -15.463 4.169 14.132 1.00 31.21 C ATOM 1127 C ALA A 69 -14.759 4.267 12.783 1.00 21.31 C ATOM 1128 O ALA A 69 -14.432 3.252 12.168 1.00 55.21 O ATOM 1129 CB ALA A 69 -14.607 3.393 15.122 1.00 65.13 C ATOM 0 H ALA A 69 -16.744 2.565 13.706 1.00 11.25 H new ATOM 0 HA ALA A 69 -15.609 5.181 14.510 1.00 31.21 H new ATOM 0 HB1 ALA A 69 -13.632 3.872 15.214 1.00 65.13 H new ATOM 0 HB2 ALA A 69 -15.098 3.379 16.095 1.00 65.13 H new ATOM 0 HB3 ALA A 69 -14.477 2.371 14.767 1.00 65.13 H new ATOM 1135 N MET A 70 -14.528 5.494 12.329 1.00 55.32 N ATOM 1136 CA MET A 70 -13.862 5.724 11.052 1.00 32.31 C ATOM 1137 C MET A 70 -12.353 5.550 11.188 1.00 62.35 C ATOM 1138 O MET A 70 -11.658 6.433 11.692 1.00 60.33 O ATOM 1139 CB MET A 70 -14.181 7.126 10.531 1.00 41.31 C ATOM 1140 CG MET A 70 -15.660 7.472 10.583 1.00 52.24 C ATOM 1141 SD MET A 70 -16.531 7.026 9.068 1.00 12.03 S ATOM 1142 CE MET A 70 -18.157 7.701 9.401 1.00 24.22 C ATOM 0 H MET A 70 -14.792 6.345 12.826 1.00 55.32 H new ATOM 0 HA MET A 70 -14.232 4.987 10.339 1.00 32.31 H new ATOM 0 HB2 MET A 70 -13.624 7.858 11.117 1.00 41.31 H new ATOM 0 HB3 MET A 70 -13.833 7.210 9.502 1.00 41.31 H new ATOM 0 HG2 MET A 70 -16.120 6.958 11.427 1.00 52.24 H new ATOM 0 HG3 MET A 70 -15.773 8.541 10.761 1.00 52.24 H new ATOM 0 HE1 MET A 70 -18.841 7.413 8.602 1.00 24.22 H new ATOM 0 HE2 MET A 70 -18.525 7.313 10.351 1.00 24.22 H new ATOM 0 HE3 MET A 70 -18.096 8.788 9.453 1.00 24.22 H new ATOM 1152 N THR A 71 -11.850 4.405 10.735 1.00 53.24 N ATOM 1153 CA THR A 71 -10.424 4.115 10.807 1.00 41.13 C ATOM 1154 C THR A 71 -9.615 5.135 10.013 1.00 23.43 C ATOM 1155 O THR A 71 -10.102 5.746 9.062 1.00 35.24 O ATOM 1156 CB THR A 71 -10.110 2.703 10.277 1.00 53.12 C ATOM 1157 OG1 THR A 71 -11.090 2.315 9.308 1.00 74.32 O ATOM 1158 CG2 THR A 71 -10.085 1.692 11.413 1.00 3.01 C ATOM 0 H THR A 71 -12.410 3.664 10.314 1.00 53.24 H new ATOM 0 HA THR A 71 -10.143 4.171 11.859 1.00 41.13 H new ATOM 0 HB THR A 71 -9.126 2.725 9.809 1.00 53.12 H new ATOM 0 HG1 THR A 71 -10.676 1.728 8.641 1.00 74.32 H new ATOM 0 HG21 THR A 71 -9.861 0.702 11.015 1.00 3.01 H new ATOM 0 HG22 THR A 71 -9.318 1.974 12.135 1.00 3.01 H new ATOM 0 HG23 THR A 71 -11.057 1.674 11.905 1.00 3.01 H new ATOM 1166 N PRO A 72 -8.348 5.324 10.411 1.00 64.15 N ATOM 1167 CA PRO A 72 -7.443 6.269 9.748 1.00 33.24 C ATOM 1168 C PRO A 72 -7.040 5.804 8.353 1.00 1.32 C ATOM 1169 O PRO A 72 -6.276 6.477 7.662 1.00 51.33 O ATOM 1170 CB PRO A 72 -6.225 6.302 10.674 1.00 23.53 C ATOM 1171 CG PRO A 72 -6.248 4.989 11.378 1.00 34.22 C ATOM 1172 CD PRO A 72 -7.700 4.630 11.536 1.00 30.32 C ATOM 0 HA PRO A 72 -7.908 7.243 9.599 1.00 33.24 H new ATOM 0 HB2 PRO A 72 -5.302 6.432 10.109 1.00 23.53 H new ATOM 0 HB3 PRO A 72 -6.287 7.131 11.380 1.00 23.53 H new ATOM 0 HG2 PRO A 72 -5.718 4.229 10.804 1.00 34.22 H new ATOM 0 HG3 PRO A 72 -5.755 5.057 12.348 1.00 34.22 H new ATOM 0 HD2 PRO A 72 -7.855 3.552 11.486 1.00 30.32 H new ATOM 0 HD3 PRO A 72 -8.094 4.965 12.495 1.00 30.32 H new ATOM 1180 N MET A 73 -7.558 4.650 7.946 1.00 53.43 N ATOM 1181 CA MET A 73 -7.253 4.098 6.631 1.00 24.53 C ATOM 1182 C MET A 73 -8.499 4.062 5.753 1.00 33.11 C ATOM 1183 O MET A 73 -8.408 4.113 4.526 1.00 2.14 O ATOM 1184 CB MET A 73 -6.671 2.689 6.769 1.00 15.15 C ATOM 1185 CG MET A 73 -5.164 2.670 6.965 1.00 51.11 C ATOM 1186 SD MET A 73 -4.285 2.027 5.528 1.00 55.14 S ATOM 1187 CE MET A 73 -4.499 3.376 4.369 1.00 5.30 C ATOM 0 H MET A 73 -8.190 4.079 8.507 1.00 53.43 H new ATOM 0 HA MET A 73 -6.515 4.744 6.156 1.00 24.53 H new ATOM 0 HB2 MET A 73 -7.145 2.190 7.614 1.00 15.15 H new ATOM 0 HB3 MET A 73 -6.920 2.113 5.878 1.00 15.15 H new ATOM 0 HG2 MET A 73 -4.816 3.681 7.176 1.00 51.11 H new ATOM 0 HG3 MET A 73 -4.922 2.061 7.836 1.00 51.11 H new ATOM 0 HE1 MET A 73 -4.981 3.005 3.464 1.00 5.30 H new ATOM 0 HE2 MET A 73 -5.121 4.149 4.821 1.00 5.30 H new ATOM 0 HE3 MET A 73 -3.526 3.796 4.116 1.00 5.30 H new ATOM 1197 N TYR A 74 -9.662 3.974 6.388 1.00 35.34 N ATOM 1198 CA TYR A 74 -10.927 3.928 5.664 1.00 13.44 C ATOM 1199 C TYR A 74 -10.980 5.013 4.592 1.00 35.34 C ATOM 1200 O TYR A 74 -10.393 6.086 4.729 1.00 65.25 O ATOM 1201 CB TYR A 74 -12.100 4.095 6.633 1.00 44.13 C ATOM 1202 CG TYR A 74 -13.320 4.727 6.003 1.00 73.34 C ATOM 1203 CD1 TYR A 74 -13.293 6.042 5.555 1.00 14.04 C ATOM 1204 CD2 TYR A 74 -14.501 4.009 5.855 1.00 23.14 C ATOM 1205 CE1 TYR A 74 -14.406 6.624 4.980 1.00 74.34 C ATOM 1206 CE2 TYR A 74 -15.618 4.582 5.280 1.00 70.14 C ATOM 1207 CZ TYR A 74 -15.566 5.889 4.844 1.00 50.44 C ATOM 1208 OH TYR A 74 -16.677 6.464 4.271 1.00 54.33 O ATOM 0 H TYR A 74 -9.755 3.933 7.403 1.00 35.34 H new ATOM 0 HA TYR A 74 -11.003 2.956 5.176 1.00 13.44 H new ATOM 0 HB2 TYR A 74 -12.372 3.118 7.032 1.00 44.13 H new ATOM 0 HB3 TYR A 74 -11.779 4.706 7.477 1.00 44.13 H new ATOM 0 HD1 TYR A 74 -12.386 6.619 5.658 1.00 14.04 H new ATOM 0 HD2 TYR A 74 -14.546 2.985 6.196 1.00 23.14 H new ATOM 0 HE1 TYR A 74 -14.369 7.648 4.639 1.00 74.34 H new ATOM 0 HE2 TYR A 74 -16.527 4.010 5.172 1.00 70.14 H new ATOM 0 HH TYR A 74 -17.472 6.233 4.795 1.00 54.33 H new ATOM 1218 N PRO A 75 -11.703 4.727 3.499 1.00 12.22 N ATOM 1219 CA PRO A 75 -12.407 3.453 3.326 1.00 61.02 C ATOM 1220 C PRO A 75 -11.449 2.285 3.117 1.00 43.41 C ATOM 1221 O PRO A 75 -11.846 1.122 3.195 1.00 44.43 O ATOM 1222 CB PRO A 75 -13.252 3.682 2.070 1.00 10.44 C ATOM 1223 CG PRO A 75 -12.526 4.741 1.313 1.00 33.53 C ATOM 1224 CD PRO A 75 -11.889 5.626 2.348 1.00 43.32 C ATOM 0 HA PRO A 75 -12.991 3.188 4.207 1.00 61.02 H new ATOM 0 HB2 PRO A 75 -13.344 2.768 1.483 1.00 10.44 H new ATOM 0 HB3 PRO A 75 -14.263 4.000 2.325 1.00 10.44 H new ATOM 0 HG2 PRO A 75 -11.774 4.305 0.656 1.00 33.53 H new ATOM 0 HG3 PRO A 75 -13.210 5.308 0.682 1.00 33.53 H new ATOM 0 HD2 PRO A 75 -10.940 6.033 1.999 1.00 43.32 H new ATOM 0 HD3 PRO A 75 -12.527 6.474 2.599 1.00 43.32 H new ATOM 1232 N TYR A 76 -10.186 2.602 2.852 1.00 53.40 N ATOM 1233 CA TYR A 76 -9.172 1.579 2.630 1.00 43.01 C ATOM 1234 C TYR A 76 -9.448 0.344 3.482 1.00 40.00 C ATOM 1235 O TYR A 76 -9.500 -0.777 2.975 1.00 51.04 O ATOM 1236 CB TYR A 76 -7.782 2.132 2.949 1.00 65.32 C ATOM 1237 CG TYR A 76 -6.657 1.342 2.318 1.00 23.05 C ATOM 1238 CD1 TYR A 76 -6.410 0.027 2.692 1.00 75.41 C ATOM 1239 CD2 TYR A 76 -5.841 1.911 1.348 1.00 3.35 C ATOM 1240 CE1 TYR A 76 -5.383 -0.698 2.119 1.00 34.21 C ATOM 1241 CE2 TYR A 76 -4.812 1.193 0.769 1.00 12.52 C ATOM 1242 CZ TYR A 76 -4.587 -0.111 1.158 1.00 13.42 C ATOM 1243 OH TYR A 76 -3.564 -0.830 0.584 1.00 11.32 O ATOM 0 H TYR A 76 -9.841 3.559 2.786 1.00 53.40 H new ATOM 0 HA TYR A 76 -9.209 1.289 1.580 1.00 43.01 H new ATOM 0 HB2 TYR A 76 -7.724 3.166 2.608 1.00 65.32 H new ATOM 0 HB3 TYR A 76 -7.644 2.144 4.030 1.00 65.32 H new ATOM 0 HD1 TYR A 76 -7.032 -0.437 3.444 1.00 75.41 H new ATOM 0 HD2 TYR A 76 -6.014 2.932 1.041 1.00 3.35 H new ATOM 0 HE1 TYR A 76 -5.204 -1.719 2.422 1.00 34.21 H new ATOM 0 HE2 TYR A 76 -4.187 1.650 0.016 1.00 12.52 H new ATOM 0 HH TYR A 76 -3.101 -0.271 -0.074 1.00 11.32 H new ATOM 1253 N THR A 77 -9.625 0.558 4.782 1.00 34.41 N ATOM 1254 CA THR A 77 -9.896 -0.536 5.706 1.00 30.24 C ATOM 1255 C THR A 77 -11.354 -0.533 6.151 1.00 52.43 C ATOM 1256 O THR A 77 -12.152 0.282 5.688 1.00 2.41 O ATOM 1257 CB THR A 77 -8.992 -0.457 6.951 1.00 42.30 C ATOM 1258 OG1 THR A 77 -9.335 0.692 7.733 1.00 11.43 O ATOM 1259 CG2 THR A 77 -7.526 -0.385 6.551 1.00 1.21 C ATOM 0 H THR A 77 -9.586 1.479 5.219 1.00 34.41 H new ATOM 0 HA THR A 77 -9.685 -1.461 5.170 1.00 30.24 H new ATOM 0 HB THR A 77 -9.147 -1.359 7.543 1.00 42.30 H new ATOM 0 HG1 THR A 77 -8.757 0.734 8.523 1.00 11.43 H new ATOM 0 HG21 THR A 77 -6.907 -0.330 7.446 1.00 1.21 H new ATOM 0 HG22 THR A 77 -7.260 -1.275 5.980 1.00 1.21 H new ATOM 0 HG23 THR A 77 -7.359 0.502 5.939 1.00 1.21 H new ATOM 1267 N ALA A 78 -11.696 -1.448 7.051 1.00 21.32 N ATOM 1268 CA ALA A 78 -13.058 -1.548 7.560 1.00 31.40 C ATOM 1269 C ALA A 78 -13.153 -1.011 8.984 1.00 53.53 C ATOM 1270 O ALA A 78 -12.368 -1.369 9.862 1.00 14.51 O ATOM 1271 CB ALA A 78 -13.537 -2.992 7.506 1.00 50.41 C ATOM 0 H ALA A 78 -11.048 -2.131 7.443 1.00 21.32 H new ATOM 0 HA ALA A 78 -13.702 -0.939 6.926 1.00 31.40 H new ATOM 0 HB1 ALA A 78 -14.556 -3.052 7.889 1.00 50.41 H new ATOM 0 HB2 ALA A 78 -13.516 -3.344 6.475 1.00 50.41 H new ATOM 0 HB3 ALA A 78 -12.883 -3.615 8.116 1.00 50.41 H new ATOM 1277 N PRO A 79 -14.137 -0.129 9.220 1.00 64.33 N ATOM 1278 CA PRO A 79 -14.357 0.477 10.536 1.00 32.10 C ATOM 1279 C PRO A 79 -14.880 -0.528 11.557 1.00 61.12 C ATOM 1280 O PRO A 79 -14.916 -1.730 11.295 1.00 53.22 O ATOM 1281 CB PRO A 79 -15.409 1.554 10.259 1.00 72.32 C ATOM 1282 CG PRO A 79 -16.130 1.076 9.045 1.00 4.14 C ATOM 1283 CD PRO A 79 -15.109 0.343 8.220 1.00 60.23 C ATOM 0 HA PRO A 79 -13.433 0.864 10.966 1.00 32.10 H new ATOM 0 HB2 PRO A 79 -16.089 1.670 11.103 1.00 72.32 H new ATOM 0 HB3 PRO A 79 -14.945 2.525 10.087 1.00 72.32 H new ATOM 0 HG2 PRO A 79 -16.957 0.420 9.315 1.00 4.14 H new ATOM 0 HG3 PRO A 79 -16.554 1.912 8.489 1.00 4.14 H new ATOM 0 HD2 PRO A 79 -15.556 -0.486 7.672 1.00 60.23 H new ATOM 0 HD3 PRO A 79 -14.642 0.997 7.484 1.00 60.23 H new ATOM 1291 N GLU A 80 -15.284 -0.028 12.720 1.00 3.52 N ATOM 1292 CA GLU A 80 -15.804 -0.883 13.780 1.00 71.41 C ATOM 1293 C GLU A 80 -17.201 -0.438 14.203 1.00 41.42 C ATOM 1294 O GLU A 80 -17.491 0.758 14.261 1.00 31.31 O ATOM 1295 CB GLU A 80 -14.864 -0.867 14.987 1.00 12.42 C ATOM 1296 CG GLU A 80 -15.523 -1.322 16.278 1.00 15.02 C ATOM 1297 CD GLU A 80 -14.663 -2.294 17.061 1.00 21.43 C ATOM 1298 OE1 GLU A 80 -14.423 -3.412 16.559 1.00 21.25 O ATOM 1299 OE2 GLU A 80 -14.229 -1.937 18.177 1.00 53.44 O ATOM 0 H GLU A 80 -15.261 0.965 12.952 1.00 3.52 H new ATOM 0 HA GLU A 80 -15.868 -1.900 13.392 1.00 71.41 H new ATOM 0 HB2 GLU A 80 -14.009 -1.510 14.779 1.00 12.42 H new ATOM 0 HB3 GLU A 80 -14.478 0.143 15.123 1.00 12.42 H new ATOM 0 HG2 GLU A 80 -15.738 -0.452 16.898 1.00 15.02 H new ATOM 0 HG3 GLU A 80 -16.479 -1.793 16.047 1.00 15.02 H new ATOM 1306 N ILE A 81 -18.061 -1.407 14.496 1.00 53.31 N ATOM 1307 CA ILE A 81 -19.427 -1.115 14.914 1.00 41.44 C ATOM 1308 C ILE A 81 -19.798 -1.899 16.168 1.00 41.04 C ATOM 1309 O ILE A 81 -19.393 -3.049 16.334 1.00 74.11 O ATOM 1310 CB ILE A 81 -20.439 -1.441 13.799 1.00 25.33 C ATOM 1311 CG1 ILE A 81 -19.905 -0.976 12.443 1.00 4.31 C ATOM 1312 CG2 ILE A 81 -21.782 -0.793 14.097 1.00 51.42 C ATOM 1313 CD1 ILE A 81 -20.200 0.478 12.144 1.00 24.53 C ATOM 0 H ILE A 81 -17.837 -2.401 14.452 1.00 53.31 H new ATOM 0 HA ILE A 81 -19.469 -0.048 15.131 1.00 41.44 H new ATOM 0 HB ILE A 81 -20.580 -2.521 13.761 1.00 25.33 H new ATOM 0 HG12 ILE A 81 -18.827 -1.133 12.413 1.00 4.31 H new ATOM 0 HG13 ILE A 81 -20.340 -1.595 11.658 1.00 4.31 H new ATOM 0 HG21 ILE A 81 -22.486 -1.032 13.300 1.00 51.42 H new ATOM 0 HG22 ILE A 81 -22.165 -1.170 15.045 1.00 51.42 H new ATOM 0 HG23 ILE A 81 -21.658 0.288 14.159 1.00 51.42 H new ATOM 0 HD11 ILE A 81 -19.793 0.739 11.167 1.00 24.53 H new ATOM 0 HD12 ILE A 81 -21.278 0.637 12.142 1.00 24.53 H new ATOM 0 HD13 ILE A 81 -19.742 1.107 12.908 1.00 24.53 H new ATOM 1325 N GLU A 82 -20.572 -1.269 17.046 1.00 5.20 N ATOM 1326 CA GLU A 82 -20.998 -1.909 18.285 1.00 60.02 C ATOM 1327 C GLU A 82 -22.374 -1.406 18.711 1.00 33.42 C ATOM 1328 O GLU A 82 -22.691 -0.226 18.560 1.00 22.30 O ATOM 1329 CB GLU A 82 -19.980 -1.647 19.397 1.00 71.11 C ATOM 1330 CG GLU A 82 -20.312 -0.437 20.253 1.00 13.23 C ATOM 1331 CD GLU A 82 -19.154 -0.010 21.135 1.00 74.24 C ATOM 1332 OE1 GLU A 82 -18.443 -0.898 21.650 1.00 72.44 O ATOM 1333 OE2 GLU A 82 -18.959 1.211 21.309 1.00 35.44 O ATOM 0 H GLU A 82 -20.917 -0.317 16.922 1.00 5.20 H new ATOM 0 HA GLU A 82 -21.061 -2.982 18.107 1.00 60.02 H new ATOM 0 HB2 GLU A 82 -19.918 -2.528 20.036 1.00 71.11 H new ATOM 0 HB3 GLU A 82 -18.995 -1.507 18.951 1.00 71.11 H new ATOM 0 HG2 GLU A 82 -20.597 0.393 19.607 1.00 13.23 H new ATOM 0 HG3 GLU A 82 -21.175 -0.665 20.878 1.00 13.23 H new ATOM 1340 N PHE A 83 -23.189 -2.311 19.244 1.00 2.15 N ATOM 1341 CA PHE A 83 -24.532 -1.961 19.692 1.00 40.13 C ATOM 1342 C PHE A 83 -24.544 -1.651 21.186 1.00 52.23 C ATOM 1343 O PHE A 83 -23.860 -2.305 21.973 1.00 1.31 O ATOM 1344 CB PHE A 83 -25.507 -3.100 19.388 1.00 62.52 C ATOM 1345 CG PHE A 83 -25.408 -3.615 17.980 1.00 5.12 C ATOM 1346 CD1 PHE A 83 -25.985 -2.917 16.931 1.00 20.44 C ATOM 1347 CD2 PHE A 83 -24.736 -4.796 17.706 1.00 54.54 C ATOM 1348 CE1 PHE A 83 -25.896 -3.389 15.635 1.00 23.13 C ATOM 1349 CE2 PHE A 83 -24.643 -5.272 16.411 1.00 15.14 C ATOM 1350 CZ PHE A 83 -25.223 -4.567 15.375 1.00 72.11 C ATOM 0 H PHE A 83 -22.943 -3.292 19.376 1.00 2.15 H new ATOM 0 HA PHE A 83 -24.847 -1.068 19.151 1.00 40.13 H new ATOM 0 HB2 PHE A 83 -25.321 -3.921 20.080 1.00 62.52 H new ATOM 0 HB3 PHE A 83 -26.525 -2.754 19.569 1.00 62.52 H new ATOM 0 HD1 PHE A 83 -26.510 -1.994 17.128 1.00 20.44 H new ATOM 0 HD2 PHE A 83 -24.280 -5.351 18.513 1.00 54.54 H new ATOM 0 HE1 PHE A 83 -26.352 -2.837 14.826 1.00 23.13 H new ATOM 0 HE2 PHE A 83 -24.117 -6.194 16.210 1.00 15.14 H new ATOM 0 HZ PHE A 83 -25.151 -4.936 14.363 1.00 72.11 H new ATOM 1360 N LYS A 84 -25.327 -0.648 21.569 1.00 1.02 N ATOM 1361 CA LYS A 84 -25.431 -0.249 22.968 1.00 64.51 C ATOM 1362 C LYS A 84 -26.882 -0.280 23.436 1.00 10.02 C ATOM 1363 O LYS A 84 -27.800 -0.434 22.632 1.00 51.20 O ATOM 1364 CB LYS A 84 -24.850 1.153 23.165 1.00 65.54 C ATOM 1365 CG LYS A 84 -23.750 1.500 22.176 1.00 73.45 C ATOM 1366 CD LYS A 84 -22.529 0.617 22.367 1.00 63.51 C ATOM 1367 CE LYS A 84 -22.109 0.555 23.828 1.00 71.54 C ATOM 1368 NZ LYS A 84 -20.748 -0.028 23.990 1.00 73.15 N ATOM 0 H LYS A 84 -25.899 -0.096 20.930 1.00 1.02 H new ATOM 0 HA LYS A 84 -24.860 -0.959 23.566 1.00 64.51 H new ATOM 0 HB2 LYS A 84 -25.652 1.886 23.075 1.00 65.54 H new ATOM 0 HB3 LYS A 84 -24.456 1.235 24.178 1.00 65.54 H new ATOM 0 HG2 LYS A 84 -24.126 1.388 21.159 1.00 73.45 H new ATOM 0 HG3 LYS A 84 -23.467 2.545 22.298 1.00 73.45 H new ATOM 0 HD2 LYS A 84 -22.746 -0.389 22.007 1.00 63.51 H new ATOM 0 HD3 LYS A 84 -21.704 1.000 21.766 1.00 63.51 H new ATOM 0 HE2 LYS A 84 -22.127 1.558 24.254 1.00 71.54 H new ATOM 0 HE3 LYS A 84 -22.829 -0.042 24.388 1.00 71.54 H new ATOM 0 HZ1 LYS A 84 -20.553 -0.179 25.000 1.00 73.15 H new ATOM 0 HZ2 LYS A 84 -20.698 -0.938 23.488 1.00 73.15 H new ATOM 0 HZ3 LYS A 84 -20.041 0.625 23.595 1.00 73.15 H new ATOM 1382 N ASN A 85 -27.081 -0.131 24.742 1.00 51.02 N ATOM 1383 CA ASN A 85 -28.421 -0.141 25.317 1.00 55.45 C ATOM 1384 C ASN A 85 -29.120 -1.469 25.045 1.00 73.32 C ATOM 1385 O ASN A 85 -29.243 -2.312 25.934 1.00 41.11 O ATOM 1386 CB ASN A 85 -29.252 1.011 24.746 1.00 3.23 C ATOM 1387 CG ASN A 85 -28.692 2.369 25.124 1.00 54.32 C ATOM 1388 OD1 ASN A 85 -29.414 3.234 25.621 1.00 72.12 O ATOM 1389 ND2 ASN A 85 -27.400 2.563 24.888 1.00 21.13 N ATOM 0 H ASN A 85 -26.331 -0.002 25.422 1.00 51.02 H new ATOM 0 HA ASN A 85 -28.327 -0.014 26.396 1.00 55.45 H new ATOM 0 HB2 ASN A 85 -29.289 0.926 23.660 1.00 3.23 H new ATOM 0 HB3 ASN A 85 -30.277 0.930 25.107 1.00 3.23 H new ATOM 0 HD21 ASN A 85 -26.968 3.457 25.120 1.00 21.13 H new ATOM 0 HD22 ASN A 85 -26.840 1.818 24.475 1.00 21.13 H new ATOM 1396 N VAL A 86 -29.577 -1.650 23.809 1.00 3.14 N ATOM 1397 CA VAL A 86 -30.262 -2.876 23.419 1.00 22.32 C ATOM 1398 C VAL A 86 -31.202 -3.355 24.520 1.00 52.53 C ATOM 1399 O VAL A 86 -30.792 -4.074 25.430 1.00 10.11 O ATOM 1400 CB VAL A 86 -29.260 -3.999 23.092 1.00 64.24 C ATOM 1401 CG1 VAL A 86 -28.693 -3.818 21.692 1.00 42.32 C ATOM 1402 CG2 VAL A 86 -28.145 -4.036 24.126 1.00 30.43 C ATOM 0 H VAL A 86 -29.485 -0.962 23.061 1.00 3.14 H new ATOM 0 HA VAL A 86 -30.841 -2.644 22.526 1.00 22.32 H new ATOM 0 HB VAL A 86 -29.787 -4.953 23.125 1.00 64.24 H new ATOM 0 HG11 VAL A 86 -27.987 -4.621 21.479 1.00 42.32 H new ATOM 0 HG12 VAL A 86 -29.504 -3.845 20.965 1.00 42.32 H new ATOM 0 HG13 VAL A 86 -28.181 -2.858 21.628 1.00 42.32 H new ATOM 0 HG21 VAL A 86 -27.446 -4.835 23.879 1.00 30.43 H new ATOM 0 HG22 VAL A 86 -27.619 -3.082 24.128 1.00 30.43 H new ATOM 0 HG23 VAL A 86 -28.570 -4.218 25.113 1.00 30.43 H new ATOM 1412 N GLN A 87 -32.465 -2.950 24.428 1.00 20.15 N ATOM 1413 CA GLN A 87 -33.464 -3.338 25.417 1.00 0.33 C ATOM 1414 C GLN A 87 -34.215 -4.588 24.971 1.00 21.04 C ATOM 1415 O GLN A 87 -33.773 -5.710 25.218 1.00 55.44 O ATOM 1416 CB GLN A 87 -34.451 -2.193 25.652 1.00 5.45 C ATOM 1417 CG GLN A 87 -34.691 -1.334 24.421 1.00 4.12 C ATOM 1418 CD GLN A 87 -36.031 -0.626 24.456 1.00 63.03 C ATOM 1419 OE1 GLN A 87 -36.919 -0.914 23.653 1.00 44.14 O ATOM 1420 NE2 GLN A 87 -36.184 0.306 25.389 1.00 53.33 N ATOM 0 H GLN A 87 -32.820 -2.354 23.680 1.00 20.15 H new ATOM 0 HA GLN A 87 -32.947 -3.561 26.350 1.00 0.33 H new ATOM 0 HB2 GLN A 87 -35.402 -2.607 25.987 1.00 5.45 H new ATOM 0 HB3 GLN A 87 -34.077 -1.562 26.458 1.00 5.45 H new ATOM 0 HG2 GLN A 87 -33.895 -0.594 24.338 1.00 4.12 H new ATOM 0 HG3 GLN A 87 -34.638 -1.960 23.530 1.00 4.12 H new ATOM 0 HE21 GLN A 87 -35.421 0.512 26.034 1.00 53.33 H new ATOM 0 HE22 GLN A 87 -37.064 0.816 25.461 1.00 53.33 H new ATOM 1429 N ASN A 88 -35.352 -4.386 24.314 1.00 34.33 N ATOM 1430 CA ASN A 88 -36.165 -5.498 23.835 1.00 75.03 C ATOM 1431 C ASN A 88 -35.295 -6.565 23.178 1.00 40.13 C ATOM 1432 O ASN A 88 -35.422 -7.753 23.473 1.00 64.31 O ATOM 1433 CB ASN A 88 -37.216 -4.997 22.841 1.00 65.52 C ATOM 1434 CG ASN A 88 -37.656 -6.078 21.872 1.00 45.34 C ATOM 1435 OD1 ASN A 88 -38.559 -6.860 22.166 1.00 71.53 O ATOM 1436 ND2 ASN A 88 -37.016 -6.125 20.708 1.00 15.25 N ATOM 0 H ASN A 88 -35.731 -3.463 24.101 1.00 34.33 H new ATOM 0 HA ASN A 88 -36.669 -5.943 24.693 1.00 75.03 H new ATOM 0 HB2 ASN A 88 -38.083 -4.628 23.388 1.00 65.52 H new ATOM 0 HB3 ASN A 88 -36.810 -4.154 22.281 1.00 65.52 H new ATOM 0 HD21 ASN A 88 -37.268 -6.830 20.016 1.00 15.25 H new ATOM 0 HD22 ASN A 88 -36.273 -5.456 20.507 1.00 15.25 H new ATOM 1443 N VAL A 89 -34.410 -6.132 22.285 1.00 11.22 N ATOM 1444 CA VAL A 89 -33.517 -7.049 21.587 1.00 1.22 C ATOM 1445 C VAL A 89 -32.630 -7.806 22.569 1.00 1.01 C ATOM 1446 O VAL A 89 -32.160 -7.244 23.558 1.00 54.41 O ATOM 1447 CB VAL A 89 -32.625 -6.303 20.577 1.00 72.24 C ATOM 1448 CG1 VAL A 89 -32.045 -5.044 21.203 1.00 30.40 C ATOM 1449 CG2 VAL A 89 -31.518 -7.215 20.069 1.00 33.12 C ATOM 0 H VAL A 89 -34.293 -5.152 22.028 1.00 11.22 H new ATOM 0 HA VAL A 89 -34.147 -7.758 21.050 1.00 1.22 H new ATOM 0 HB VAL A 89 -33.239 -6.006 19.727 1.00 72.24 H new ATOM 0 HG11 VAL A 89 -31.418 -4.531 20.474 1.00 30.40 H new ATOM 0 HG12 VAL A 89 -32.856 -4.385 21.512 1.00 30.40 H new ATOM 0 HG13 VAL A 89 -31.445 -5.313 22.072 1.00 30.40 H new ATOM 0 HG21 VAL A 89 -30.897 -6.672 19.356 1.00 33.12 H new ATOM 0 HG22 VAL A 89 -30.904 -7.544 20.908 1.00 33.12 H new ATOM 0 HG23 VAL A 89 -31.958 -8.083 19.579 1.00 33.12 H new ATOM 1459 N MET A 90 -32.404 -9.085 22.289 1.00 72.32 N ATOM 1460 CA MET A 90 -31.571 -9.920 23.147 1.00 14.11 C ATOM 1461 C MET A 90 -30.122 -9.912 22.672 1.00 70.32 C ATOM 1462 O MET A 90 -29.229 -9.445 23.379 1.00 34.23 O ATOM 1463 CB MET A 90 -32.104 -11.354 23.173 1.00 54.32 C ATOM 1464 CG MET A 90 -33.620 -11.437 23.250 1.00 32.33 C ATOM 1465 SD MET A 90 -34.285 -12.851 22.350 1.00 41.13 S ATOM 1466 CE MET A 90 -34.325 -12.201 20.681 1.00 1.01 C ATOM 0 H MET A 90 -32.786 -9.566 21.475 1.00 72.32 H new ATOM 0 HA MET A 90 -31.606 -9.509 24.156 1.00 14.11 H new ATOM 0 HB2 MET A 90 -31.765 -11.875 22.278 1.00 54.32 H new ATOM 0 HB3 MET A 90 -31.676 -11.877 24.028 1.00 54.32 H new ATOM 0 HG2 MET A 90 -33.924 -11.501 24.295 1.00 32.33 H new ATOM 0 HG3 MET A 90 -34.051 -10.520 22.848 1.00 32.33 H new ATOM 0 HE1 MET A 90 -34.715 -12.961 20.004 1.00 1.01 H new ATOM 0 HE2 MET A 90 -34.968 -11.322 20.648 1.00 1.01 H new ATOM 0 HE3 MET A 90 -33.316 -11.924 20.374 1.00 1.01 H new ATOM 1476 N ASP A 91 -29.895 -10.432 21.471 1.00 74.54 N ATOM 1477 CA ASP A 91 -28.554 -10.485 20.901 1.00 50.32 C ATOM 1478 C ASP A 91 -28.551 -11.261 19.588 1.00 73.42 C ATOM 1479 O ASP A 91 -27.714 -11.025 18.717 1.00 52.21 O ATOM 1480 CB ASP A 91 -27.581 -11.128 21.890 1.00 11.12 C ATOM 1481 CG ASP A 91 -26.359 -11.708 21.206 1.00 4.42 C ATOM 1482 OD1 ASP A 91 -25.800 -11.032 20.317 1.00 12.53 O ATOM 1483 OD2 ASP A 91 -25.961 -12.838 21.559 1.00 4.33 O ATOM 0 H ASP A 91 -30.623 -10.823 20.873 1.00 74.54 H new ATOM 0 HA ASP A 91 -28.232 -9.463 20.699 1.00 50.32 H new ATOM 0 HB2 ASP A 91 -27.266 -10.383 22.621 1.00 11.12 H new ATOM 0 HB3 ASP A 91 -28.095 -11.917 22.440 1.00 11.12 H new ATOM 1488 N SER A 92 -29.493 -12.190 19.453 1.00 2.04 N ATOM 1489 CA SER A 92 -29.596 -13.005 18.249 1.00 70.22 C ATOM 1490 C SER A 92 -29.688 -12.127 17.005 1.00 44.13 C ATOM 1491 O SER A 92 -28.992 -12.359 16.016 1.00 33.22 O ATOM 1492 CB SER A 92 -30.818 -13.922 18.331 1.00 52.20 C ATOM 1493 OG SER A 92 -30.451 -15.279 18.151 1.00 10.33 O ATOM 0 H SER A 92 -30.195 -12.396 20.163 1.00 2.04 H new ATOM 0 HA SER A 92 -28.696 -13.616 18.176 1.00 70.22 H new ATOM 0 HB2 SER A 92 -31.304 -13.799 19.299 1.00 52.20 H new ATOM 0 HB3 SER A 92 -31.544 -13.634 17.570 1.00 52.20 H new ATOM 0 HG SER A 92 -31.249 -15.844 18.210 1.00 10.33 H new ATOM 1499 N GLN A 93 -30.551 -11.118 17.063 1.00 43.24 N ATOM 1500 CA GLN A 93 -30.734 -10.205 15.941 1.00 53.14 C ATOM 1501 C GLN A 93 -29.519 -9.299 15.772 1.00 52.14 C ATOM 1502 O GLN A 93 -29.124 -8.976 14.651 1.00 44.43 O ATOM 1503 CB GLN A 93 -31.992 -9.358 16.145 1.00 21.41 C ATOM 1504 CG GLN A 93 -31.761 -8.123 17.001 1.00 75.24 C ATOM 1505 CD GLN A 93 -33.051 -7.544 17.548 1.00 2.41 C ATOM 1506 OE1 GLN A 93 -33.306 -6.345 17.428 1.00 35.12 O ATOM 1507 NE2 GLN A 93 -33.872 -8.394 18.154 1.00 50.53 N ATOM 0 H GLN A 93 -31.134 -10.912 17.874 1.00 43.24 H new ATOM 0 HA GLN A 93 -30.848 -10.801 15.036 1.00 53.14 H new ATOM 0 HB2 GLN A 93 -32.374 -9.049 15.172 1.00 21.41 H new ATOM 0 HB3 GLN A 93 -32.763 -9.973 16.609 1.00 21.41 H new ATOM 0 HG2 GLN A 93 -31.101 -8.378 17.830 1.00 75.24 H new ATOM 0 HG3 GLN A 93 -31.249 -7.365 16.408 1.00 75.24 H new ATOM 0 HE21 GLN A 93 -33.620 -9.379 18.231 1.00 50.53 H new ATOM 0 HE22 GLN A 93 -34.754 -8.061 18.543 1.00 50.53 H new ATOM 1516 N LEU A 94 -28.931 -8.892 16.891 1.00 41.41 N ATOM 1517 CA LEU A 94 -27.760 -8.022 16.867 1.00 10.11 C ATOM 1518 C LEU A 94 -26.623 -8.661 16.077 1.00 41.05 C ATOM 1519 O LEU A 94 -25.969 -8.002 15.269 1.00 54.53 O ATOM 1520 CB LEU A 94 -27.297 -7.718 18.293 1.00 11.20 C ATOM 1521 CG LEU A 94 -28.072 -6.626 19.032 1.00 72.31 C ATOM 1522 CD1 LEU A 94 -27.508 -6.424 20.430 1.00 42.15 C ATOM 1523 CD2 LEU A 94 -28.038 -5.323 18.247 1.00 64.11 C ATOM 0 H LEU A 94 -29.245 -9.150 17.826 1.00 41.41 H new ATOM 0 HA LEU A 94 -28.040 -7.090 16.376 1.00 10.11 H new ATOM 0 HB2 LEU A 94 -27.357 -8.637 18.877 1.00 11.20 H new ATOM 0 HB3 LEU A 94 -26.246 -7.430 18.259 1.00 11.20 H new ATOM 0 HG LEU A 94 -29.111 -6.944 19.124 1.00 72.31 H new ATOM 0 HD11 LEU A 94 -28.072 -5.643 20.941 1.00 42.15 H new ATOM 0 HD12 LEU A 94 -27.586 -7.355 20.992 1.00 42.15 H new ATOM 0 HD13 LEU A 94 -26.461 -6.129 20.361 1.00 42.15 H new ATOM 0 HD21 LEU A 94 -28.594 -4.558 18.788 1.00 64.11 H new ATOM 0 HD22 LEU A 94 -27.004 -5.000 18.122 1.00 64.11 H new ATOM 0 HD23 LEU A 94 -28.491 -5.476 17.267 1.00 64.11 H new ATOM 1535 N GLN A 95 -26.395 -9.949 16.314 1.00 4.41 N ATOM 1536 CA GLN A 95 -25.337 -10.677 15.623 1.00 53.34 C ATOM 1537 C GLN A 95 -25.611 -10.741 14.124 1.00 41.44 C ATOM 1538 O GLN A 95 -24.687 -10.693 13.312 1.00 72.51 O ATOM 1539 CB GLN A 95 -25.208 -12.091 16.190 1.00 21.32 C ATOM 1540 CG GLN A 95 -25.343 -12.155 17.703 1.00 55.40 C ATOM 1541 CD GLN A 95 -24.092 -12.679 18.380 1.00 53.14 C ATOM 1542 OE1 GLN A 95 -22.974 -12.339 17.992 1.00 51.11 O ATOM 1543 NE2 GLN A 95 -24.274 -13.512 19.398 1.00 52.14 N ATOM 0 H GLN A 95 -26.928 -10.509 16.979 1.00 4.41 H new ATOM 0 HA GLN A 95 -24.400 -10.143 15.781 1.00 53.34 H new ATOM 0 HB2 GLN A 95 -25.971 -12.725 15.738 1.00 21.32 H new ATOM 0 HB3 GLN A 95 -24.240 -12.502 15.902 1.00 21.32 H new ATOM 0 HG2 GLN A 95 -25.569 -11.160 18.086 1.00 55.40 H new ATOM 0 HG3 GLN A 95 -26.187 -12.795 17.962 1.00 55.40 H new ATOM 0 HE21 GLN A 95 -25.219 -13.767 19.686 1.00 52.14 H new ATOM 0 HE22 GLN A 95 -23.469 -13.897 19.892 1.00 52.14 H new ATOM 1552 N MET A 96 -26.886 -10.849 13.764 1.00 43.41 N ATOM 1553 CA MET A 96 -27.280 -10.918 12.362 1.00 75.13 C ATOM 1554 C MET A 96 -26.838 -9.667 11.610 1.00 41.04 C ATOM 1555 O MET A 96 -26.315 -9.751 10.498 1.00 62.34 O ATOM 1556 CB MET A 96 -28.796 -11.088 12.244 1.00 33.43 C ATOM 1557 CG MET A 96 -29.362 -10.601 10.920 1.00 22.21 C ATOM 1558 SD MET A 96 -31.165 -10.602 10.892 1.00 23.14 S ATOM 1559 CE MET A 96 -31.517 -9.056 11.725 1.00 42.33 C ATOM 0 H MET A 96 -27.663 -10.891 14.423 1.00 43.41 H new ATOM 0 HA MET A 96 -26.788 -11.782 11.915 1.00 75.13 H new ATOM 0 HB2 MET A 96 -29.046 -12.141 12.371 1.00 33.43 H new ATOM 0 HB3 MET A 96 -29.278 -10.546 13.057 1.00 33.43 H new ATOM 0 HG2 MET A 96 -29.000 -9.592 10.724 1.00 22.21 H new ATOM 0 HG3 MET A 96 -28.990 -11.235 10.115 1.00 22.21 H new ATOM 0 HE1 MET A 96 -32.553 -8.771 11.541 1.00 42.33 H new ATOM 0 HE2 MET A 96 -31.358 -9.176 12.797 1.00 42.33 H new ATOM 0 HE3 MET A 96 -30.854 -8.279 11.345 1.00 42.33 H new ATOM 1569 N LEU A 97 -27.051 -8.508 12.222 1.00 2.32 N ATOM 1570 CA LEU A 97 -26.674 -7.238 11.610 1.00 22.31 C ATOM 1571 C LEU A 97 -25.182 -7.209 11.291 1.00 34.14 C ATOM 1572 O LEU A 97 -24.772 -6.741 10.229 1.00 13.22 O ATOM 1573 CB LEU A 97 -27.032 -6.076 12.538 1.00 45.11 C ATOM 1574 CG LEU A 97 -28.494 -5.993 12.977 1.00 22.54 C ATOM 1575 CD1 LEU A 97 -28.651 -5.013 14.129 1.00 44.51 C ATOM 1576 CD2 LEU A 97 -29.380 -5.592 11.808 1.00 54.34 C ATOM 0 H LEU A 97 -27.483 -8.421 13.142 1.00 2.32 H new ATOM 0 HA LEU A 97 -27.228 -7.133 10.677 1.00 22.31 H new ATOM 0 HB2 LEU A 97 -26.409 -6.145 13.430 1.00 45.11 H new ATOM 0 HB3 LEU A 97 -26.770 -5.144 12.037 1.00 45.11 H new ATOM 0 HG LEU A 97 -28.806 -6.979 13.321 1.00 22.54 H new ATOM 0 HD11 LEU A 97 -29.698 -4.967 14.428 1.00 44.51 H new ATOM 0 HD12 LEU A 97 -28.047 -5.344 14.974 1.00 44.51 H new ATOM 0 HD13 LEU A 97 -28.321 -4.024 13.813 1.00 44.51 H new ATOM 0 HD21 LEU A 97 -30.417 -5.538 12.139 1.00 54.34 H new ATOM 0 HD22 LEU A 97 -29.068 -4.618 11.432 1.00 54.34 H new ATOM 0 HD23 LEU A 97 -29.291 -6.333 11.013 1.00 54.34 H new ATOM 1588 N LYS A 98 -24.375 -7.714 12.218 1.00 62.44 N ATOM 1589 CA LYS A 98 -22.929 -7.750 12.035 1.00 24.24 C ATOM 1590 C LYS A 98 -22.562 -8.456 10.734 1.00 25.31 C ATOM 1591 O LYS A 98 -21.618 -8.063 10.049 1.00 62.35 O ATOM 1592 CB LYS A 98 -22.262 -8.458 13.218 1.00 54.25 C ATOM 1593 CG LYS A 98 -22.570 -7.819 14.561 1.00 40.02 C ATOM 1594 CD LYS A 98 -22.190 -6.348 14.579 1.00 42.13 C ATOM 1595 CE LYS A 98 -21.398 -5.992 15.828 1.00 53.02 C ATOM 1596 NZ LYS A 98 -22.013 -6.567 17.056 1.00 23.04 N ATOM 0 H LYS A 98 -24.698 -8.104 13.103 1.00 62.44 H new ATOM 0 HA LYS A 98 -22.569 -6.722 11.984 1.00 24.24 H new ATOM 0 HB2 LYS A 98 -22.586 -9.499 13.237 1.00 54.25 H new ATOM 0 HB3 LYS A 98 -21.183 -8.463 13.066 1.00 54.25 H new ATOM 0 HG2 LYS A 98 -23.633 -7.924 14.780 1.00 40.02 H new ATOM 0 HG3 LYS A 98 -22.029 -8.345 15.348 1.00 40.02 H new ATOM 0 HD2 LYS A 98 -21.600 -6.113 13.693 1.00 42.13 H new ATOM 0 HD3 LYS A 98 -23.092 -5.738 14.532 1.00 42.13 H new ATOM 0 HE2 LYS A 98 -20.376 -6.359 15.727 1.00 53.02 H new ATOM 0 HE3 LYS A 98 -21.339 -4.908 15.924 1.00 53.02 H new ATOM 0 HZ1 LYS A 98 -21.335 -6.511 17.843 1.00 23.04 H new ATOM 0 HZ2 LYS A 98 -22.871 -6.031 17.299 1.00 23.04 H new ATOM 0 HZ3 LYS A 98 -22.263 -7.562 16.886 1.00 23.04 H new ATOM 1610 N SER A 99 -23.314 -9.499 10.399 1.00 33.43 N ATOM 1611 CA SER A 99 -23.066 -10.261 9.181 1.00 32.51 C ATOM 1612 C SER A 99 -23.395 -9.431 7.944 1.00 2.23 C ATOM 1613 O SER A 99 -22.659 -9.449 6.958 1.00 23.05 O ATOM 1614 CB SER A 99 -23.895 -11.547 9.181 1.00 73.21 C ATOM 1615 OG SER A 99 -23.070 -12.686 9.356 1.00 73.15 O ATOM 0 H SER A 99 -24.101 -9.836 10.954 1.00 33.43 H new ATOM 0 HA SER A 99 -22.007 -10.519 9.153 1.00 32.51 H new ATOM 0 HB2 SER A 99 -24.637 -11.505 9.979 1.00 73.21 H new ATOM 0 HB3 SER A 99 -24.442 -11.631 8.242 1.00 73.21 H new ATOM 0 HG SER A 99 -23.624 -13.494 9.354 1.00 73.15 H new ATOM 1621 N GLU A 100 -24.506 -8.704 8.006 1.00 40.53 N ATOM 1622 CA GLU A 100 -24.933 -7.867 6.890 1.00 1.35 C ATOM 1623 C GLU A 100 -23.990 -6.681 6.708 1.00 12.31 C ATOM 1624 O GLU A 100 -23.861 -6.139 5.610 1.00 30.10 O ATOM 1625 CB GLU A 100 -26.361 -7.367 7.117 1.00 53.24 C ATOM 1626 CG GLU A 100 -27.378 -8.484 7.284 1.00 4.25 C ATOM 1627 CD GLU A 100 -27.114 -9.656 6.360 1.00 62.41 C ATOM 1628 OE1 GLU A 100 -26.059 -10.307 6.512 1.00 41.22 O ATOM 1629 OE2 GLU A 100 -27.963 -9.923 5.484 1.00 34.32 O ATOM 0 H GLU A 100 -25.126 -8.677 8.816 1.00 40.53 H new ATOM 0 HA GLU A 100 -24.907 -8.472 5.984 1.00 1.35 H new ATOM 0 HB2 GLU A 100 -26.379 -6.735 8.005 1.00 53.24 H new ATOM 0 HB3 GLU A 100 -26.656 -6.741 6.275 1.00 53.24 H new ATOM 0 HG2 GLU A 100 -27.365 -8.831 8.317 1.00 4.25 H new ATOM 0 HG3 GLU A 100 -28.377 -8.092 7.092 1.00 4.25 H new ATOM 1636 N PHE A 101 -23.334 -6.282 7.793 1.00 41.13 N ATOM 1637 CA PHE A 101 -22.404 -5.159 7.754 1.00 70.30 C ATOM 1638 C PHE A 101 -21.272 -5.424 6.766 1.00 60.52 C ATOM 1639 O PHE A 101 -20.760 -4.504 6.129 1.00 41.15 O ATOM 1640 CB PHE A 101 -21.829 -4.898 9.148 1.00 41.35 C ATOM 1641 CG PHE A 101 -22.819 -4.290 10.100 1.00 24.21 C ATOM 1642 CD1 PHE A 101 -24.142 -4.118 9.728 1.00 11.50 C ATOM 1643 CD2 PHE A 101 -22.426 -3.892 11.368 1.00 63.32 C ATOM 1644 CE1 PHE A 101 -25.054 -3.558 10.602 1.00 35.04 C ATOM 1645 CE2 PHE A 101 -23.334 -3.333 12.247 1.00 42.52 C ATOM 1646 CZ PHE A 101 -24.650 -3.166 11.864 1.00 72.23 C ATOM 0 H PHE A 101 -23.429 -6.719 8.710 1.00 41.13 H new ATOM 0 HA PHE A 101 -22.952 -4.277 7.423 1.00 70.30 H new ATOM 0 HB2 PHE A 101 -21.466 -5.838 9.565 1.00 41.35 H new ATOM 0 HB3 PHE A 101 -20.968 -4.235 9.059 1.00 41.35 H new ATOM 0 HD1 PHE A 101 -24.464 -4.425 8.744 1.00 11.50 H new ATOM 0 HD2 PHE A 101 -21.398 -4.020 11.673 1.00 63.32 H new ATOM 0 HE1 PHE A 101 -26.082 -3.427 10.299 1.00 35.04 H new ATOM 0 HE2 PHE A 101 -23.015 -3.027 13.232 1.00 42.52 H new ATOM 0 HZ PHE A 101 -25.362 -2.730 12.549 1.00 72.23 H new ATOM 1656 N LYS A 102 -20.885 -6.690 6.644 1.00 14.11 N ATOM 1657 CA LYS A 102 -19.815 -7.079 5.734 1.00 22.21 C ATOM 1658 C LYS A 102 -20.204 -6.800 4.286 1.00 65.23 C ATOM 1659 O LYS A 102 -19.405 -6.279 3.507 1.00 62.42 O ATOM 1660 CB LYS A 102 -19.484 -8.563 5.908 1.00 73.33 C ATOM 1661 CG LYS A 102 -18.056 -8.917 5.530 1.00 52.32 C ATOM 1662 CD LYS A 102 -17.088 -8.608 6.659 1.00 21.04 C ATOM 1663 CE LYS A 102 -17.388 -9.443 7.895 1.00 52.22 C ATOM 1664 NZ LYS A 102 -16.145 -9.963 8.528 1.00 30.32 N ATOM 0 H LYS A 102 -21.297 -7.464 7.165 1.00 14.11 H new ATOM 0 HA LYS A 102 -18.933 -6.486 5.975 1.00 22.21 H new ATOM 0 HB2 LYS A 102 -19.657 -8.846 6.946 1.00 73.33 H new ATOM 0 HB3 LYS A 102 -20.169 -9.153 5.299 1.00 73.33 H new ATOM 0 HG2 LYS A 102 -17.997 -9.976 5.278 1.00 52.32 H new ATOM 0 HG3 LYS A 102 -17.766 -8.361 4.638 1.00 52.32 H new ATOM 0 HD2 LYS A 102 -16.068 -8.800 6.328 1.00 21.04 H new ATOM 0 HD3 LYS A 102 -17.147 -7.549 6.911 1.00 21.04 H new ATOM 0 HE2 LYS A 102 -17.938 -8.839 8.617 1.00 52.22 H new ATOM 0 HE3 LYS A 102 -18.033 -10.278 7.621 1.00 52.22 H new ATOM 0 HZ1 LYS A 102 -16.392 -10.527 9.366 1.00 30.32 H new ATOM 0 HZ2 LYS A 102 -15.633 -10.560 7.848 1.00 30.32 H new ATOM 0 HZ3 LYS A 102 -15.541 -9.166 8.812 1.00 30.32 H new ATOM 1678 N LYS A 103 -21.436 -7.149 3.931 1.00 3.40 N ATOM 1679 CA LYS A 103 -21.932 -6.933 2.577 1.00 33.51 C ATOM 1680 C LYS A 103 -22.108 -5.445 2.292 1.00 63.41 C ATOM 1681 O LYS A 103 -21.865 -4.985 1.176 1.00 65.10 O ATOM 1682 CB LYS A 103 -23.263 -7.662 2.378 1.00 34.13 C ATOM 1683 CG LYS A 103 -24.459 -6.730 2.282 1.00 44.34 C ATOM 1684 CD LYS A 103 -25.754 -7.502 2.098 1.00 55.41 C ATOM 1685 CE LYS A 103 -26.287 -8.020 3.425 1.00 73.01 C ATOM 1686 NZ LYS A 103 -26.678 -9.455 3.343 1.00 3.24 N ATOM 0 H LYS A 103 -22.109 -7.583 4.562 1.00 3.40 H new ATOM 0 HA LYS A 103 -21.197 -7.333 1.879 1.00 33.51 H new ATOM 0 HB2 LYS A 103 -23.207 -8.262 1.470 1.00 34.13 H new ATOM 0 HB3 LYS A 103 -23.417 -8.353 3.207 1.00 34.13 H new ATOM 0 HG2 LYS A 103 -24.522 -6.123 3.185 1.00 44.34 H new ATOM 0 HG3 LYS A 103 -24.321 -6.045 1.446 1.00 44.34 H new ATOM 0 HD2 LYS A 103 -26.500 -6.858 1.632 1.00 55.41 H new ATOM 0 HD3 LYS A 103 -25.587 -8.339 1.420 1.00 55.41 H new ATOM 0 HE2 LYS A 103 -25.527 -7.894 4.196 1.00 73.01 H new ATOM 0 HE3 LYS A 103 -27.149 -7.425 3.727 1.00 73.01 H new ATOM 0 HZ1 LYS A 103 -27.487 -9.631 3.972 1.00 3.24 H new ATOM 0 HZ2 LYS A 103 -26.943 -9.687 2.365 1.00 3.24 H new ATOM 0 HZ3 LYS A 103 -25.877 -10.050 3.635 1.00 3.24 H new ATOM 1700 N ILE A 104 -22.529 -4.699 3.307 1.00 54.21 N ATOM 1701 CA ILE A 104 -22.734 -3.263 3.165 1.00 52.42 C ATOM 1702 C ILE A 104 -21.425 -2.550 2.846 1.00 43.54 C ATOM 1703 O ILE A 104 -21.360 -1.726 1.932 1.00 31.31 O ATOM 1704 CB ILE A 104 -23.341 -2.651 4.442 1.00 64.42 C ATOM 1705 CG1 ILE A 104 -24.832 -2.983 4.534 1.00 44.54 C ATOM 1706 CG2 ILE A 104 -23.125 -1.146 4.462 1.00 4.53 C ATOM 1707 CD1 ILE A 104 -25.287 -3.335 5.932 1.00 12.02 C ATOM 0 H ILE A 104 -22.735 -5.065 4.237 1.00 54.21 H new ATOM 0 HA ILE A 104 -23.431 -3.124 2.339 1.00 52.42 H new ATOM 0 HB ILE A 104 -22.839 -3.082 5.308 1.00 64.42 H new ATOM 0 HG12 ILE A 104 -25.409 -2.130 4.177 1.00 44.54 H new ATOM 0 HG13 ILE A 104 -25.052 -3.817 3.868 1.00 44.54 H new ATOM 0 HG21 ILE A 104 -23.559 -0.728 5.370 1.00 4.53 H new ATOM 0 HG22 ILE A 104 -22.057 -0.931 4.439 1.00 4.53 H new ATOM 0 HG23 ILE A 104 -23.604 -0.698 3.591 1.00 4.53 H new ATOM 0 HD11 ILE A 104 -26.354 -3.559 5.922 1.00 12.02 H new ATOM 0 HD12 ILE A 104 -24.737 -4.207 6.285 1.00 12.02 H new ATOM 0 HD13 ILE A 104 -25.099 -2.493 6.599 1.00 12.02 H new ATOM 1719 N HIS A 105 -20.381 -2.872 3.604 1.00 74.35 N ATOM 1720 CA HIS A 105 -19.071 -2.264 3.400 1.00 73.31 C ATOM 1721 C HIS A 105 -18.518 -2.614 2.022 1.00 54.35 C ATOM 1722 O HIS A 105 -17.950 -1.764 1.337 1.00 61.41 O ATOM 1723 CB HIS A 105 -18.097 -2.725 4.485 1.00 75.43 C ATOM 1724 CG HIS A 105 -16.661 -2.459 4.153 1.00 15.32 C ATOM 1725 ND1 HIS A 105 -16.220 -1.263 3.628 1.00 1.53 N ATOM 1726 CD2 HIS A 105 -15.564 -3.242 4.276 1.00 13.34 C ATOM 1727 CE1 HIS A 105 -14.913 -1.322 3.441 1.00 14.13 C ATOM 1728 NE2 HIS A 105 -14.491 -2.512 3.827 1.00 20.42 N ATOM 0 H HIS A 105 -20.417 -3.550 4.365 1.00 74.35 H new ATOM 0 HA HIS A 105 -19.187 -1.182 3.462 1.00 73.31 H new ATOM 0 HB2 HIS A 105 -18.344 -2.223 5.421 1.00 75.43 H new ATOM 0 HB3 HIS A 105 -18.231 -3.794 4.652 1.00 75.43 H new ATOM 0 HD2 HIS A 105 -15.537 -4.252 4.656 1.00 13.34 H new ATOM 0 HE1 HIS A 105 -14.295 -0.532 3.041 1.00 14.13 H new ATOM 0 HE2 HIS A 105 -13.524 -2.837 3.797 1.00 20.42 H new ATOM 1736 N ASN A 106 -18.689 -3.870 1.622 1.00 51.32 N ATOM 1737 CA ASN A 106 -18.206 -4.332 0.326 1.00 42.44 C ATOM 1738 C ASN A 106 -18.832 -3.524 -0.808 1.00 31.54 C ATOM 1739 O ASN A 106 -18.150 -3.127 -1.753 1.00 72.31 O ATOM 1740 CB ASN A 106 -18.519 -5.818 0.141 1.00 3.15 C ATOM 1741 CG ASN A 106 -17.268 -6.651 -0.061 1.00 61.23 C ATOM 1742 OD1 ASN A 106 -16.591 -6.536 -1.083 1.00 3.11 O ATOM 1743 ND2 ASN A 106 -16.956 -7.497 0.914 1.00 50.20 N ATOM 0 H ASN A 106 -19.158 -4.586 2.177 1.00 51.32 H new ATOM 0 HA ASN A 106 -17.126 -4.189 0.297 1.00 42.44 H new ATOM 0 HB2 ASN A 106 -19.059 -6.184 1.014 1.00 3.15 H new ATOM 0 HB3 ASN A 106 -19.179 -5.944 -0.718 1.00 3.15 H new ATOM 0 HD21 ASN A 106 -16.126 -8.085 0.833 1.00 50.20 H new ATOM 0 HD22 ASN A 106 -17.546 -7.559 1.744 1.00 50.20 H new ATOM 1750 N THR A 107 -20.136 -3.284 -0.706 1.00 23.43 N ATOM 1751 CA THR A 107 -20.855 -2.525 -1.721 1.00 63.51 C ATOM 1752 C THR A 107 -20.581 -1.032 -1.588 1.00 13.25 C ATOM 1753 O THR A 107 -20.641 -0.290 -2.568 1.00 71.00 O ATOM 1754 CB THR A 107 -22.373 -2.768 -1.633 1.00 54.31 C ATOM 1755 OG1 THR A 107 -23.046 -2.038 -2.665 1.00 74.33 O ATOM 1756 CG2 THR A 107 -22.911 -2.346 -0.274 1.00 2.40 C ATOM 0 H THR A 107 -20.715 -3.605 0.070 1.00 23.43 H new ATOM 0 HA THR A 107 -20.495 -2.872 -2.690 1.00 63.51 H new ATOM 0 HB THR A 107 -22.556 -3.835 -1.763 1.00 54.31 H new ATOM 0 HG1 THR A 107 -24.011 -2.199 -2.604 1.00 74.33 H new ATOM 0 HG21 THR A 107 -23.985 -2.527 -0.236 1.00 2.40 H new ATOM 0 HG22 THR A 107 -22.418 -2.923 0.508 1.00 2.40 H new ATOM 0 HG23 THR A 107 -22.716 -1.285 -0.119 1.00 2.40 H new ATOM 1764 N SER A 108 -20.280 -0.597 -0.368 1.00 53.31 N ATOM 1765 CA SER A 108 -20.000 0.810 -0.106 1.00 14.20 C ATOM 1766 C SER A 108 -18.549 1.005 0.323 1.00 71.44 C ATOM 1767 O SER A 108 -18.251 1.830 1.186 1.00 43.01 O ATOM 1768 CB SER A 108 -20.940 1.346 0.976 1.00 22.12 C ATOM 1769 OG SER A 108 -22.276 1.405 0.508 1.00 70.00 O ATOM 0 H SER A 108 -20.224 -1.198 0.454 1.00 53.31 H new ATOM 0 HA SER A 108 -20.165 1.366 -1.029 1.00 14.20 H new ATOM 0 HB2 SER A 108 -20.888 0.706 1.857 1.00 22.12 H new ATOM 0 HB3 SER A 108 -20.615 2.340 1.284 1.00 22.12 H new ATOM 0 HG SER A 108 -22.597 2.330 0.549 1.00 70.00 H new ATOM 1775 N ARG A 109 -17.651 0.238 -0.287 1.00 41.12 N ATOM 1776 CA ARG A 109 -16.231 0.324 0.031 1.00 2.22 C ATOM 1777 C ARG A 109 -15.578 1.489 -0.707 1.00 2.11 C ATOM 1778 O ARG A 109 -14.891 1.295 -1.709 1.00 2.50 O ATOM 1779 CB ARG A 109 -15.525 -0.984 -0.332 1.00 2.53 C ATOM 1780 CG ARG A 109 -14.029 -0.964 -0.060 1.00 54.14 C ATOM 1781 CD ARG A 109 -13.472 -2.371 0.090 1.00 40.24 C ATOM 1782 NE ARG A 109 -12.085 -2.461 -0.360 1.00 54.01 N ATOM 1783 CZ ARG A 109 -11.460 -3.611 -0.586 1.00 44.44 C ATOM 1784 NH1 ARG A 109 -12.094 -4.761 -0.406 1.00 64.04 N ATOM 1785 NH2 ARG A 109 -10.197 -3.611 -0.994 1.00 41.13 N ATOM 0 H ARG A 109 -17.882 -0.450 -1.004 1.00 41.12 H new ATOM 0 HA ARG A 109 -16.134 0.496 1.103 1.00 2.22 H new ATOM 0 HB2 ARG A 109 -15.977 -1.800 0.232 1.00 2.53 H new ATOM 0 HB3 ARG A 109 -15.691 -1.196 -1.388 1.00 2.53 H new ATOM 0 HG2 ARG A 109 -13.516 -0.453 -0.875 1.00 54.14 H new ATOM 0 HG3 ARG A 109 -13.831 -0.394 0.848 1.00 54.14 H new ATOM 0 HD2 ARG A 109 -13.535 -2.676 1.134 1.00 40.24 H new ATOM 0 HD3 ARG A 109 -14.085 -3.067 -0.483 1.00 40.24 H new ATOM 0 HE ARG A 109 -11.569 -1.594 -0.509 1.00 54.01 H new ATOM 0 HH11 ARG A 109 -13.065 -4.765 -0.093 1.00 64.04 H new ATOM 0 HH12 ARG A 109 -11.611 -5.642 -0.580 1.00 64.04 H new ATOM 0 HH21 ARG A 109 -9.706 -2.728 -1.134 1.00 41.13 H new ATOM 0 HH22 ARG A 109 -9.717 -4.494 -1.168 1.00 41.13 H new ATOM 1799 N GLY A 110 -15.798 2.700 -0.204 1.00 11.11 N ATOM 1800 CA GLY A 110 -15.225 3.878 -0.828 1.00 50.22 C ATOM 1801 C GLY A 110 -16.032 5.131 -0.552 1.00 51.22 C ATOM 1802 O GLY A 110 -15.553 6.244 -0.766 1.00 0.54 O ATOM 0 H GLY A 110 -16.363 2.886 0.625 1.00 11.11 H new ATOM 0 HA2 GLY A 110 -14.207 4.018 -0.466 1.00 50.22 H new ATOM 0 HA3 GLY A 110 -15.161 3.720 -1.905 1.00 50.22 H new ATOM 1806 N GLN A 111 -17.260 4.950 -0.078 1.00 74.41 N ATOM 1807 CA GLN A 111 -18.136 6.076 0.225 1.00 70.43 C ATOM 1808 C GLN A 111 -18.729 5.943 1.624 1.00 44.42 C ATOM 1809 O GLN A 111 -18.269 5.133 2.428 1.00 11.41 O ATOM 1810 CB GLN A 111 -19.258 6.169 -0.811 1.00 12.04 C ATOM 1811 CG GLN A 111 -20.267 5.035 -0.719 1.00 4.21 C ATOM 1812 CD GLN A 111 -21.311 5.093 -1.816 1.00 70.11 C ATOM 1813 OE1 GLN A 111 -20.994 5.347 -2.978 1.00 43.24 O ATOM 1814 NE2 GLN A 111 -22.566 4.856 -1.452 1.00 40.13 N ATOM 0 H GLN A 111 -17.671 4.035 0.105 1.00 74.41 H new ATOM 0 HA GLN A 111 -17.540 6.988 0.188 1.00 70.43 H new ATOM 0 HB2 GLN A 111 -19.779 7.118 -0.686 1.00 12.04 H new ATOM 0 HB3 GLN A 111 -18.820 6.174 -1.809 1.00 12.04 H new ATOM 0 HG2 GLN A 111 -19.742 4.081 -0.772 1.00 4.21 H new ATOM 0 HG3 GLN A 111 -20.762 5.072 0.251 1.00 4.21 H new ATOM 0 HE21 GLN A 111 -22.784 4.649 -0.477 1.00 40.13 H new ATOM 0 HE22 GLN A 111 -23.312 4.880 -2.147 1.00 40.13 H new ATOM 1823 N GLU A 112 -19.751 6.745 1.906 1.00 3.04 N ATOM 1824 CA GLU A 112 -20.405 6.717 3.209 1.00 3.44 C ATOM 1825 C GLU A 112 -21.019 5.347 3.481 1.00 40.20 C ATOM 1826 O GLU A 112 -21.716 4.789 2.633 1.00 65.40 O ATOM 1827 CB GLU A 112 -21.486 7.797 3.285 1.00 11.31 C ATOM 1828 CG GLU A 112 -20.991 9.182 2.903 1.00 11.23 C ATOM 1829 CD GLU A 112 -22.111 10.202 2.830 1.00 43.14 C ATOM 1830 OE1 GLU A 112 -23.232 9.885 3.279 1.00 21.13 O ATOM 1831 OE2 GLU A 112 -21.866 11.317 2.322 1.00 34.35 O ATOM 0 H GLU A 112 -20.143 7.421 1.251 1.00 3.04 H new ATOM 0 HA GLU A 112 -19.650 6.915 3.970 1.00 3.44 H new ATOM 0 HB2 GLU A 112 -22.310 7.521 2.627 1.00 11.31 H new ATOM 0 HB3 GLU A 112 -21.884 7.830 4.299 1.00 11.31 H new ATOM 0 HG2 GLU A 112 -20.250 9.513 3.631 1.00 11.23 H new ATOM 0 HG3 GLU A 112 -20.488 9.130 1.937 1.00 11.23 H new ATOM 1838 N ILE A 113 -20.755 4.812 4.668 1.00 30.11 N ATOM 1839 CA ILE A 113 -21.282 3.508 5.052 1.00 42.03 C ATOM 1840 C ILE A 113 -22.134 3.609 6.313 1.00 65.54 C ATOM 1841 O ILE A 113 -22.787 2.644 6.711 1.00 73.15 O ATOM 1842 CB ILE A 113 -20.150 2.491 5.290 1.00 4.53 C ATOM 1843 CG1 ILE A 113 -19.292 2.921 6.482 1.00 3.11 C ATOM 1844 CG2 ILE A 113 -19.295 2.348 4.040 1.00 61.51 C ATOM 1845 CD1 ILE A 113 -18.480 1.793 7.080 1.00 45.54 C ATOM 0 H ILE A 113 -20.180 5.261 5.380 1.00 30.11 H new ATOM 0 HA ILE A 113 -21.902 3.162 4.225 1.00 42.03 H new ATOM 0 HB ILE A 113 -20.594 1.521 5.516 1.00 4.53 H new ATOM 0 HG12 ILE A 113 -18.617 3.716 6.165 1.00 3.11 H new ATOM 0 HG13 ILE A 113 -19.939 3.340 7.253 1.00 3.11 H new ATOM 0 HG21 ILE A 113 -18.499 1.626 4.224 1.00 61.51 H new ATOM 0 HG22 ILE A 113 -19.915 2.002 3.213 1.00 61.51 H new ATOM 0 HG23 ILE A 113 -18.857 3.313 3.786 1.00 61.51 H new ATOM 0 HD11 ILE A 113 -17.897 2.170 7.920 1.00 45.54 H new ATOM 0 HD12 ILE A 113 -19.150 1.007 7.428 1.00 45.54 H new ATOM 0 HD13 ILE A 113 -17.807 1.388 6.324 1.00 45.54 H new ATOM 1857 N ILE A 114 -22.122 4.782 6.935 1.00 13.24 N ATOM 1858 CA ILE A 114 -22.896 5.009 8.149 1.00 13.55 C ATOM 1859 C ILE A 114 -24.393 4.954 7.866 1.00 75.44 C ATOM 1860 O ILE A 114 -25.154 4.333 8.608 1.00 34.22 O ATOM 1861 CB ILE A 114 -22.557 6.370 8.787 1.00 25.53 C ATOM 1862 CG1 ILE A 114 -21.041 6.525 8.933 1.00 54.03 C ATOM 1863 CG2 ILE A 114 -23.241 6.506 10.139 1.00 4.23 C ATOM 1864 CD1 ILE A 114 -20.421 5.530 9.888 1.00 2.23 C ATOM 0 H ILE A 114 -21.585 5.590 6.619 1.00 13.24 H new ATOM 0 HA ILE A 114 -22.630 4.213 8.845 1.00 13.55 H new ATOM 0 HB ILE A 114 -22.924 7.162 8.135 1.00 25.53 H new ATOM 0 HG12 ILE A 114 -20.577 6.414 7.953 1.00 54.03 H new ATOM 0 HG13 ILE A 114 -20.819 7.535 9.278 1.00 54.03 H new ATOM 0 HG21 ILE A 114 -22.992 7.472 10.577 1.00 4.23 H new ATOM 0 HG22 ILE A 114 -24.321 6.434 10.009 1.00 4.23 H new ATOM 0 HG23 ILE A 114 -22.901 5.709 10.801 1.00 4.23 H new ATOM 0 HD11 ILE A 114 -19.345 5.699 9.942 1.00 2.23 H new ATOM 0 HD12 ILE A 114 -20.858 5.656 10.879 1.00 2.23 H new ATOM 0 HD13 ILE A 114 -20.612 4.517 9.533 1.00 2.23 H new ATOM 1876 N PHE A 115 -24.810 5.605 6.785 1.00 42.03 N ATOM 1877 CA PHE A 115 -26.217 5.629 6.401 1.00 4.12 C ATOM 1878 C PHE A 115 -26.682 4.246 5.955 1.00 14.21 C ATOM 1879 O PHE A 115 -27.834 3.870 6.169 1.00 73.24 O ATOM 1880 CB PHE A 115 -26.444 6.643 5.278 1.00 4.10 C ATOM 1881 CG PHE A 115 -27.883 7.036 5.107 1.00 11.12 C ATOM 1882 CD1 PHE A 115 -28.447 8.015 5.909 1.00 14.20 C ATOM 1883 CD2 PHE A 115 -28.672 6.427 4.145 1.00 41.14 C ATOM 1884 CE1 PHE A 115 -29.772 8.378 5.754 1.00 10.14 C ATOM 1885 CE2 PHE A 115 -29.997 6.786 3.985 1.00 11.10 C ATOM 1886 CZ PHE A 115 -30.547 7.764 4.790 1.00 34.24 C ATOM 0 H PHE A 115 -24.193 6.123 6.159 1.00 42.03 H new ATOM 0 HA PHE A 115 -26.801 5.926 7.272 1.00 4.12 H new ATOM 0 HB2 PHE A 115 -25.853 7.536 5.481 1.00 4.10 H new ATOM 0 HB3 PHE A 115 -26.076 6.224 4.341 1.00 4.10 H new ATOM 0 HD1 PHE A 115 -27.845 8.500 6.663 1.00 14.20 H new ATOM 0 HD2 PHE A 115 -28.246 5.662 3.512 1.00 41.14 H new ATOM 0 HE1 PHE A 115 -30.201 9.141 6.386 1.00 10.14 H new ATOM 0 HE2 PHE A 115 -30.601 6.302 3.232 1.00 11.10 H new ATOM 0 HZ PHE A 115 -31.582 8.048 4.666 1.00 34.24 H new ATOM 1896 N GLU A 116 -25.778 3.495 5.334 1.00 10.41 N ATOM 1897 CA GLU A 116 -26.097 2.155 4.857 1.00 41.04 C ATOM 1898 C GLU A 116 -26.340 1.204 6.025 1.00 4.54 C ATOM 1899 O GLU A 116 -27.317 0.455 6.037 1.00 1.41 O ATOM 1900 CB GLU A 116 -24.965 1.620 3.977 1.00 41.43 C ATOM 1901 CG GLU A 116 -24.560 2.570 2.862 1.00 2.32 C ATOM 1902 CD GLU A 116 -25.535 2.557 1.701 1.00 12.22 C ATOM 1903 OE1 GLU A 116 -26.564 3.260 1.782 1.00 42.52 O ATOM 1904 OE2 GLU A 116 -25.269 1.843 0.712 1.00 40.24 O ATOM 0 H GLU A 116 -24.820 3.792 5.150 1.00 10.41 H new ATOM 0 HA GLU A 116 -27.010 2.216 4.265 1.00 41.04 H new ATOM 0 HB2 GLU A 116 -24.096 1.415 4.602 1.00 41.43 H new ATOM 0 HB3 GLU A 116 -25.274 0.671 3.540 1.00 41.43 H new ATOM 0 HG2 GLU A 116 -24.489 3.582 3.260 1.00 2.32 H new ATOM 0 HG3 GLU A 116 -23.568 2.299 2.501 1.00 2.32 H new ATOM 1911 N ILE A 117 -25.443 1.241 7.006 1.00 74.23 N ATOM 1912 CA ILE A 117 -25.560 0.384 8.179 1.00 72.41 C ATOM 1913 C ILE A 117 -26.810 0.721 8.984 1.00 14.10 C ATOM 1914 O ILE A 117 -27.493 -0.168 9.495 1.00 4.32 O ATOM 1915 CB ILE A 117 -24.326 0.508 9.092 1.00 71.11 C ATOM 1916 CG1 ILE A 117 -23.996 -0.845 9.726 1.00 2.44 C ATOM 1917 CG2 ILE A 117 -24.566 1.559 10.166 1.00 65.42 C ATOM 1918 CD1 ILE A 117 -22.530 -1.208 9.646 1.00 5.32 C ATOM 0 H ILE A 117 -24.628 1.855 7.011 1.00 74.23 H new ATOM 0 HA ILE A 117 -25.631 -0.641 7.815 1.00 72.41 H new ATOM 0 HB ILE A 117 -23.475 0.822 8.488 1.00 71.11 H new ATOM 0 HG12 ILE A 117 -24.302 -0.831 10.772 1.00 2.44 H new ATOM 0 HG13 ILE A 117 -24.582 -1.621 9.233 1.00 2.44 H new ATOM 0 HG21 ILE A 117 -23.685 1.635 10.804 1.00 65.42 H new ATOM 0 HG22 ILE A 117 -24.758 2.523 9.695 1.00 65.42 H new ATOM 0 HG23 ILE A 117 -25.427 1.272 10.770 1.00 65.42 H new ATOM 0 HD11 ILE A 117 -22.369 -2.179 10.115 1.00 5.32 H new ATOM 0 HD12 ILE A 117 -22.223 -1.254 8.601 1.00 5.32 H new ATOM 0 HD13 ILE A 117 -21.939 -0.453 10.164 1.00 5.32 H new ATOM 1930 N THR A 118 -27.107 2.012 9.092 1.00 15.52 N ATOM 1931 CA THR A 118 -28.276 2.468 9.834 1.00 10.43 C ATOM 1932 C THR A 118 -29.566 2.064 9.130 1.00 14.25 C ATOM 1933 O THR A 118 -30.516 1.610 9.768 1.00 73.20 O ATOM 1934 CB THR A 118 -28.263 3.998 10.019 1.00 23.41 C ATOM 1935 OG1 THR A 118 -28.262 4.645 8.742 1.00 1.41 O ATOM 1936 CG2 THR A 118 -27.043 4.436 10.816 1.00 35.34 C ATOM 0 H THR A 118 -26.554 2.761 8.675 1.00 15.52 H new ATOM 0 HA THR A 118 -28.235 1.991 10.813 1.00 10.43 H new ATOM 0 HB THR A 118 -29.159 4.283 10.570 1.00 23.41 H new ATOM 0 HG1 THR A 118 -27.915 4.029 8.063 1.00 1.41 H new ATOM 0 HG21 THR A 118 -27.055 5.520 10.934 1.00 35.34 H new ATOM 0 HG22 THR A 118 -27.061 3.964 11.798 1.00 35.34 H new ATOM 0 HG23 THR A 118 -26.137 4.139 10.288 1.00 35.34 H new ATOM 1944 N SER A 119 -29.594 2.232 7.812 1.00 24.02 N ATOM 1945 CA SER A 119 -30.769 1.887 7.022 1.00 55.22 C ATOM 1946 C SER A 119 -31.061 0.392 7.105 1.00 21.14 C ATOM 1947 O SER A 119 -32.209 -0.020 7.271 1.00 72.32 O ATOM 1948 CB SER A 119 -30.567 2.298 5.562 1.00 14.11 C ATOM 1949 OG SER A 119 -31.706 2.976 5.061 1.00 52.41 O ATOM 0 H SER A 119 -28.816 2.605 7.269 1.00 24.02 H new ATOM 0 HA SER A 119 -31.622 2.429 7.430 1.00 55.22 H new ATOM 0 HB2 SER A 119 -29.691 2.942 5.480 1.00 14.11 H new ATOM 0 HB3 SER A 119 -30.370 1.414 4.956 1.00 14.11 H new ATOM 0 HG SER A 119 -31.551 3.230 4.127 1.00 52.41 H new ATOM 1955 N PHE A 120 -30.012 -0.416 6.990 1.00 72.13 N ATOM 1956 CA PHE A 120 -30.154 -1.866 7.051 1.00 70.21 C ATOM 1957 C PHE A 120 -30.554 -2.315 8.454 1.00 44.15 C ATOM 1958 O PHE A 120 -31.463 -3.128 8.623 1.00 1.11 O ATOM 1959 CB PHE A 120 -28.846 -2.546 6.639 1.00 54.40 C ATOM 1960 CG PHE A 120 -29.036 -3.663 5.654 1.00 70.32 C ATOM 1961 CD1 PHE A 120 -29.292 -4.953 6.090 1.00 20.23 C ATOM 1962 CD2 PHE A 120 -28.959 -3.424 4.291 1.00 21.12 C ATOM 1963 CE1 PHE A 120 -29.466 -5.984 5.186 1.00 51.42 C ATOM 1964 CE2 PHE A 120 -29.133 -4.451 3.382 1.00 44.51 C ATOM 1965 CZ PHE A 120 -29.388 -5.732 3.830 1.00 45.20 C ATOM 0 H PHE A 120 -29.055 -0.091 6.854 1.00 72.13 H new ATOM 0 HA PHE A 120 -30.942 -2.158 6.357 1.00 70.21 H new ATOM 0 HB2 PHE A 120 -28.179 -1.800 6.207 1.00 54.40 H new ATOM 0 HB3 PHE A 120 -28.353 -2.937 7.529 1.00 54.40 H new ATOM 0 HD1 PHE A 120 -29.356 -5.155 7.149 1.00 20.23 H new ATOM 0 HD2 PHE A 120 -28.761 -2.424 3.935 1.00 21.12 H new ATOM 0 HE1 PHE A 120 -29.663 -6.985 5.539 1.00 51.42 H new ATOM 0 HE2 PHE A 120 -29.070 -4.252 2.322 1.00 44.51 H new ATOM 0 HZ PHE A 120 -29.526 -6.535 3.122 1.00 45.20 H new ATOM 1975 N THR A 121 -29.866 -1.779 9.458 1.00 75.41 N ATOM 1976 CA THR A 121 -30.147 -2.125 10.846 1.00 51.23 C ATOM 1977 C THR A 121 -31.558 -1.707 11.242 1.00 54.42 C ATOM 1978 O THR A 121 -32.248 -2.426 11.964 1.00 53.31 O ATOM 1979 CB THR A 121 -29.140 -1.462 11.804 1.00 25.53 C ATOM 1980 OG1 THR A 121 -28.966 -0.084 11.457 1.00 73.10 O ATOM 1981 CG2 THR A 121 -27.797 -2.176 11.755 1.00 3.32 C ATOM 0 H THR A 121 -29.111 -1.104 9.336 1.00 75.41 H new ATOM 0 HA THR A 121 -30.056 -3.208 10.927 1.00 51.23 H new ATOM 0 HB THR A 121 -29.536 -1.533 12.817 1.00 25.53 H new ATOM 0 HG1 THR A 121 -28.129 0.025 10.959 1.00 73.10 H new ATOM 0 HG21 THR A 121 -27.102 -1.690 12.440 1.00 3.32 H new ATOM 0 HG22 THR A 121 -27.928 -3.217 12.049 1.00 3.32 H new ATOM 0 HG23 THR A 121 -27.398 -2.132 10.741 1.00 3.32 H new ATOM 1989 N GLN A 122 -31.981 -0.541 10.764 1.00 12.41 N ATOM 1990 CA GLN A 122 -33.311 -0.028 11.069 1.00 15.44 C ATOM 1991 C GLN A 122 -34.391 -0.914 10.457 1.00 64.14 C ATOM 1992 O GLN A 122 -35.379 -1.246 11.110 1.00 23.34 O ATOM 1993 CB GLN A 122 -33.459 1.405 10.555 1.00 50.31 C ATOM 1994 CG GLN A 122 -34.895 1.905 10.549 1.00 23.04 C ATOM 1995 CD GLN A 122 -35.478 2.021 11.944 1.00 64.10 C ATOM 1996 OE1 GLN A 122 -34.935 2.720 12.800 1.00 51.30 O ATOM 1997 NE2 GLN A 122 -36.589 1.334 12.180 1.00 13.03 N ATOM 0 H GLN A 122 -31.422 0.066 10.164 1.00 12.41 H new ATOM 0 HA GLN A 122 -33.434 -0.033 12.152 1.00 15.44 H new ATOM 0 HB2 GLN A 122 -32.855 2.068 11.174 1.00 50.31 H new ATOM 0 HB3 GLN A 122 -33.059 1.462 9.543 1.00 50.31 H new ATOM 0 HG2 GLN A 122 -34.935 2.879 10.061 1.00 23.04 H new ATOM 0 HG3 GLN A 122 -35.510 1.226 9.958 1.00 23.04 H new ATOM 0 HE21 GLN A 122 -37.005 0.767 11.441 1.00 13.03 H new ATOM 0 HE22 GLN A 122 -37.027 1.373 13.100 1.00 13.03 H new ATOM 2006 N GLU A 123 -34.194 -1.293 9.198 1.00 61.14 N ATOM 2007 CA GLU A 123 -35.152 -2.140 8.497 1.00 21.30 C ATOM 2008 C GLU A 123 -35.072 -3.580 8.996 1.00 22.12 C ATOM 2009 O GLU A 123 -36.063 -4.310 8.984 1.00 72.14 O ATOM 2010 CB GLU A 123 -34.897 -2.097 6.989 1.00 54.11 C ATOM 2011 CG GLU A 123 -33.886 -3.126 6.512 1.00 2.44 C ATOM 2012 CD GLU A 123 -33.790 -3.193 5.001 1.00 71.04 C ATOM 2013 OE1 GLU A 123 -34.828 -3.002 4.332 1.00 4.30 O ATOM 2014 OE2 GLU A 123 -32.679 -3.437 4.486 1.00 21.12 O ATOM 0 H GLU A 123 -33.380 -1.027 8.643 1.00 61.14 H new ATOM 0 HA GLU A 123 -36.152 -1.758 8.700 1.00 21.30 H new ATOM 0 HB2 GLU A 123 -35.839 -2.256 6.465 1.00 54.11 H new ATOM 0 HB3 GLU A 123 -34.546 -1.102 6.717 1.00 54.11 H new ATOM 0 HG2 GLU A 123 -32.906 -2.885 6.924 1.00 2.44 H new ATOM 0 HG3 GLU A 123 -34.162 -4.107 6.899 1.00 2.44 H new ATOM 2021 N LYS A 124 -33.884 -3.983 9.435 1.00 0.40 N ATOM 2022 CA LYS A 124 -33.672 -5.334 9.939 1.00 21.14 C ATOM 2023 C LYS A 124 -34.262 -5.492 11.337 1.00 5.13 C ATOM 2024 O LYS A 124 -34.938 -6.479 11.629 1.00 30.11 O ATOM 2025 CB LYS A 124 -32.177 -5.662 9.965 1.00 74.53 C ATOM 2026 CG LYS A 124 -31.674 -6.305 8.684 1.00 71.31 C ATOM 2027 CD LYS A 124 -32.362 -7.634 8.419 1.00 55.31 C ATOM 2028 CE LYS A 124 -33.561 -7.466 7.498 1.00 35.21 C ATOM 2029 NZ LYS A 124 -33.539 -8.443 6.374 1.00 24.14 N ATOM 0 H LYS A 124 -33.053 -3.392 9.452 1.00 0.40 H new ATOM 0 HA LYS A 124 -34.179 -6.029 9.269 1.00 21.14 H new ATOM 0 HB2 LYS A 124 -31.615 -4.746 10.147 1.00 74.53 H new ATOM 0 HB3 LYS A 124 -31.975 -6.331 10.801 1.00 74.53 H new ATOM 0 HG2 LYS A 124 -31.847 -5.631 7.845 1.00 71.31 H new ATOM 0 HG3 LYS A 124 -30.597 -6.459 8.752 1.00 71.31 H new ATOM 0 HD2 LYS A 124 -31.652 -8.330 7.971 1.00 55.31 H new ATOM 0 HD3 LYS A 124 -32.685 -8.072 9.363 1.00 55.31 H new ATOM 0 HE2 LYS A 124 -34.480 -7.593 8.071 1.00 35.21 H new ATOM 0 HE3 LYS A 124 -33.572 -6.452 7.098 1.00 35.21 H new ATOM 0 HZ1 LYS A 124 -34.372 -8.296 5.770 1.00 24.14 H new ATOM 0 HZ2 LYS A 124 -32.675 -8.306 5.812 1.00 24.14 H new ATOM 0 HZ3 LYS A 124 -33.554 -9.411 6.755 1.00 24.14 H new ATOM 2043 N LEU A 125 -34.002 -4.513 12.198 1.00 73.44 N ATOM 2044 CA LEU A 125 -34.509 -4.543 13.565 1.00 0.13 C ATOM 2045 C LEU A 125 -36.022 -4.352 13.590 1.00 51.23 C ATOM 2046 O LEU A 125 -36.733 -5.040 14.323 1.00 41.34 O ATOM 2047 CB LEU A 125 -33.833 -3.457 14.404 1.00 23.11 C ATOM 2048 CG LEU A 125 -34.686 -2.834 15.509 1.00 30.04 C ATOM 2049 CD1 LEU A 125 -35.783 -1.966 14.912 1.00 23.20 C ATOM 2050 CD2 LEU A 125 -35.284 -3.917 16.396 1.00 2.31 C ATOM 0 H LEU A 125 -33.443 -3.690 11.973 1.00 73.44 H new ATOM 0 HA LEU A 125 -34.278 -5.520 13.990 1.00 0.13 H new ATOM 0 HB2 LEU A 125 -32.938 -3.882 14.859 1.00 23.11 H new ATOM 0 HB3 LEU A 125 -33.503 -2.662 13.735 1.00 23.11 H new ATOM 0 HG LEU A 125 -34.045 -2.202 16.123 1.00 30.04 H new ATOM 0 HD11 LEU A 125 -36.380 -1.531 15.714 1.00 23.20 H new ATOM 0 HD12 LEU A 125 -35.334 -1.168 14.320 1.00 23.20 H new ATOM 0 HD13 LEU A 125 -36.422 -2.576 14.274 1.00 23.20 H new ATOM 0 HD21 LEU A 125 -35.888 -3.455 17.177 1.00 2.31 H new ATOM 0 HD22 LEU A 125 -35.911 -4.575 15.794 1.00 2.31 H new ATOM 0 HD23 LEU A 125 -34.482 -4.497 16.853 1.00 2.31 H new ATOM 2062 N ASP A 126 -36.508 -3.415 12.783 1.00 62.14 N ATOM 2063 CA ASP A 126 -37.937 -3.136 12.709 1.00 52.42 C ATOM 2064 C ASP A 126 -38.710 -4.372 12.261 1.00 73.02 C ATOM 2065 O ASP A 126 -39.741 -4.714 12.840 1.00 63.34 O ATOM 2066 CB ASP A 126 -38.203 -1.976 11.747 1.00 21.41 C ATOM 2067 CG ASP A 126 -39.675 -1.822 11.420 1.00 50.44 C ATOM 2068 OD1 ASP A 126 -40.512 -2.312 12.206 1.00 60.44 O ATOM 2069 OD2 ASP A 126 -39.990 -1.210 10.377 1.00 72.41 O ATOM 0 H ASP A 126 -35.933 -2.836 12.171 1.00 62.14 H new ATOM 0 HA ASP A 126 -38.279 -2.857 13.706 1.00 52.42 H new ATOM 0 HB2 ASP A 126 -37.833 -1.050 12.187 1.00 21.41 H new ATOM 0 HB3 ASP A 126 -37.644 -2.136 10.825 1.00 21.41 H new ATOM 2074 N GLU A 127 -38.206 -5.037 11.226 1.00 44.41 N ATOM 2075 CA GLU A 127 -38.851 -6.234 10.700 1.00 43.34 C ATOM 2076 C GLU A 127 -38.917 -7.327 11.762 1.00 72.53 C ATOM 2077 O GLU A 127 -39.810 -8.175 11.741 1.00 64.45 O ATOM 2078 CB GLU A 127 -38.098 -6.747 9.470 1.00 54.31 C ATOM 2079 CG GLU A 127 -36.872 -7.577 9.809 1.00 31.12 C ATOM 2080 CD GLU A 127 -37.022 -9.031 9.405 1.00 44.25 C ATOM 2081 OE1 GLU A 127 -38.169 -9.469 9.178 1.00 64.13 O ATOM 2082 OE2 GLU A 127 -35.991 -9.730 9.315 1.00 44.04 O ATOM 0 H GLU A 127 -37.353 -4.767 10.736 1.00 44.41 H new ATOM 0 HA GLU A 127 -39.868 -5.971 10.411 1.00 43.34 H new ATOM 0 HB2 GLU A 127 -38.776 -7.347 8.864 1.00 54.31 H new ATOM 0 HB3 GLU A 127 -37.793 -5.896 8.860 1.00 54.31 H new ATOM 0 HG2 GLU A 127 -36.001 -7.153 9.309 1.00 31.12 H new ATOM 0 HG3 GLU A 127 -36.684 -7.519 10.881 1.00 31.12 H new ATOM 2089 N PHE A 128 -37.966 -7.302 12.689 1.00 10.23 N ATOM 2090 CA PHE A 128 -37.915 -8.291 13.759 1.00 24.32 C ATOM 2091 C PHE A 128 -39.002 -8.028 14.796 1.00 14.14 C ATOM 2092 O PHE A 128 -39.754 -8.930 15.164 1.00 14.01 O ATOM 2093 CB PHE A 128 -36.540 -8.277 14.431 1.00 42.34 C ATOM 2094 CG PHE A 128 -35.849 -9.610 14.411 1.00 31.33 C ATOM 2095 CD1 PHE A 128 -36.544 -10.770 14.716 1.00 1.33 C ATOM 2096 CD2 PHE A 128 -34.505 -9.705 14.088 1.00 52.23 C ATOM 2097 CE1 PHE A 128 -35.910 -11.998 14.700 1.00 55.10 C ATOM 2098 CE2 PHE A 128 -33.866 -10.930 14.069 1.00 34.44 C ATOM 2099 CZ PHE A 128 -34.570 -12.079 14.375 1.00 54.41 C ATOM 0 H PHE A 128 -37.220 -6.607 12.721 1.00 10.23 H new ATOM 0 HA PHE A 128 -38.087 -9.273 13.319 1.00 24.32 H new ATOM 0 HB2 PHE A 128 -35.908 -7.542 13.932 1.00 42.34 H new ATOM 0 HB3 PHE A 128 -36.653 -7.951 15.465 1.00 42.34 H new ATOM 0 HD1 PHE A 128 -37.592 -10.714 14.969 1.00 1.33 H new ATOM 0 HD2 PHE A 128 -33.950 -8.810 13.848 1.00 52.23 H new ATOM 0 HE1 PHE A 128 -36.462 -12.894 14.942 1.00 55.10 H new ATOM 0 HE2 PHE A 128 -32.818 -10.989 13.815 1.00 34.44 H new ATOM 0 HZ PHE A 128 -34.074 -13.038 14.360 1.00 54.41 H new