USER MOD reduce.3.24.130724 H: found=0, std=0, add=897, rem=0, adj=30 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 26 TYR OH : rot 30:sc= 0.666 USER MOD Set 1.2: A 118 THR OG1 : rot 132:sc= 0.648 USER MOD Set 2.1: A 90 MET CE :methyl -162:sc= -0.217 (180deg=-0.106) USER MOD Set 2.2: A 93 GLN : amide:sc= -3.94! C(o=-4.2!,f=-9.8!) USER MOD Set 3.1: A 62 SER OG : rot -104:sc= -0.0884 USER MOD Set 3.2: A 88 ASN :FLIP amide:sc= -10.8! C(o=-13!,f=-11!) USER MOD Set 4.1: A 63 SER OG : rot -3:sc= 0.549! USER MOD Set 4.2: A 87 GLN : amide:sc= 0 X(o=0.55,f=0.41) USER MOD Set 5.1: A 71 THR OG1 : rot 127:sc= 1.15 USER MOD Set 5.2: A 77 THR OG1 : rot -165:sc= 1.08 USER MOD Set 6.1: A 65 THR OG1 : rot 180:sc= 0 USER MOD Set 6.2: A 85 ASN :FLIP amide:sc= -0.559 F(o=-4.7!,f=-0.56) USER MOD Set 7.1: A 31 THR OG1 : rot 180:sc= 0 USER MOD Set 7.2: A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -0.969 K(o=-0.97,f=-4.4!) 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=-0.00649 K(o=-0.0065,f=-1.2) USER MOD Single : A 16 CYS SG : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -0.608 K(o=-0.61,f=-5.7!) USER MOD Single : A 24 SER OG : rot -71:sc= 1.32 USER MOD Single : A 27 MET CE :methyl 142:sc= -1.93 (180deg=-2.2) USER MOD Single : A 34 THR OG1 : rot -65:sc= 0.921 USER MOD Single : A 45 GLN : amide:sc= -0.377 X(o=-0.38,f=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 HIS : no HD1:sc= -4.39! C(o=-4.4!,f=-5!) USER MOD Single : A 70 MET CE :methyl -139:sc= -8.97! (180deg=-14.1!) USER MOD Single : A 73 MET CE :methyl -116:sc= -2.69 (180deg=-5.56!) USER MOD Single : A 74 TYR OH : rot -151:sc= 0.0659 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 96 MET CE :methyl 165:sc= 0 (180deg=-0.27) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 HIS : no HD1:sc= -0.658 K(o=-0.66,f=-1.4) USER MOD Single : A 106 ASN : amide:sc= 0.076 X(o=0.076,f=0) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot -90:sc= -1.34! USER MOD Single : A 111 GLN : amide:sc= -0.474 K(o=-0.47,f=-2.3!) USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 121 THR OG1 : rot -82:sc=-0.00789 USER MOD Single : A 122 GLN : amide:sc= -0.748 K(o=-0.75,f=-1.8) USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 109 N LEU A 8 -2.863 10.604 6.470 1.00 22.23 N ATOM 110 CA LEU A 8 -4.154 10.253 7.052 1.00 62.51 C ATOM 111 C LEU A 8 -5.033 11.488 7.212 1.00 55.35 C ATOM 112 O LEU A 8 -6.260 11.388 7.255 1.00 42.21 O ATOM 113 CB LEU A 8 -3.956 9.574 8.409 1.00 54.33 C ATOM 114 CG LEU A 8 -3.017 8.368 8.426 1.00 61.02 C ATOM 115 CD1 LEU A 8 -3.008 7.718 9.800 1.00 33.54 C ATOM 116 CD2 LEU A 8 -3.423 7.361 7.360 1.00 62.23 C ATOM 0 HA LEU A 8 -4.654 9.560 6.375 1.00 62.51 H new ATOM 0 HB2 LEU A 8 -3.575 10.315 9.111 1.00 54.33 H new ATOM 0 HB3 LEU A 8 -4.931 9.255 8.779 1.00 54.33 H new ATOM 0 HG LEU A 8 -2.008 8.715 8.204 1.00 61.02 H new ATOM 0 HD11 LEU A 8 -2.334 6.861 9.793 1.00 33.54 H new ATOM 0 HD12 LEU A 8 -2.669 8.441 10.542 1.00 33.54 H new ATOM 0 HD13 LEU A 8 -4.015 7.385 10.052 1.00 33.54 H new ATOM 0 HD21 LEU A 8 -2.744 6.509 7.387 1.00 62.23 H new ATOM 0 HD22 LEU A 8 -4.441 7.020 7.551 1.00 62.23 H new ATOM 0 HD23 LEU A 8 -3.376 7.832 6.378 1.00 62.23 H new ATOM 128 N ASP A 9 -4.399 12.653 7.296 1.00 33.53 N ATOM 129 CA ASP A 9 -5.124 13.909 7.448 1.00 71.24 C ATOM 130 C ASP A 9 -6.236 14.023 6.410 1.00 73.14 C ATOM 131 O ASP A 9 -7.268 14.645 6.659 1.00 54.02 O ATOM 132 CB ASP A 9 -4.166 15.094 7.319 1.00 61.12 C ATOM 133 CG ASP A 9 -3.893 15.765 8.650 1.00 0.24 C ATOM 134 OD1 ASP A 9 -4.713 16.609 9.069 1.00 51.21 O ATOM 135 OD2 ASP A 9 -2.860 15.446 9.275 1.00 62.14 O ATOM 0 H ASP A 9 -3.385 12.753 7.261 1.00 33.53 H new ATOM 0 HA ASP A 9 -5.575 13.922 8.440 1.00 71.24 H new ATOM 0 HB2 ASP A 9 -3.225 14.752 6.888 1.00 61.12 H new ATOM 0 HB3 ASP A 9 -4.586 15.824 6.627 1.00 61.12 H new ATOM 140 N GLN A 10 -6.017 13.419 5.246 1.00 10.20 N ATOM 141 CA GLN A 10 -7.000 13.455 4.170 1.00 14.11 C ATOM 142 C GLN A 10 -8.244 12.655 4.543 1.00 73.05 C ATOM 143 O GLN A 10 -9.368 13.065 4.253 1.00 54.33 O ATOM 144 CB GLN A 10 -6.394 12.905 2.878 1.00 50.52 C ATOM 145 CG GLN A 10 -5.142 13.643 2.432 1.00 64.41 C ATOM 146 CD GLN A 10 -5.314 15.149 2.446 1.00 34.35 C ATOM 147 OE1 GLN A 10 -5.477 15.756 3.505 1.00 1.21 O ATOM 148 NE2 GLN A 10 -5.280 15.760 1.268 1.00 11.23 N ATOM 0 H GLN A 10 -5.168 12.899 5.024 1.00 10.20 H new ATOM 0 HA GLN A 10 -7.291 14.493 4.013 1.00 14.11 H new ATOM 0 HB2 GLN A 10 -6.154 11.851 3.019 1.00 50.52 H new ATOM 0 HB3 GLN A 10 -7.140 12.959 2.085 1.00 50.52 H new ATOM 0 HG2 GLN A 10 -4.313 13.370 3.085 1.00 64.41 H new ATOM 0 HG3 GLN A 10 -4.875 13.321 1.425 1.00 64.41 H new ATOM 0 HE21 GLN A 10 -5.143 15.217 0.416 1.00 11.23 H new ATOM 0 HE22 GLN A 10 -5.391 16.773 1.215 1.00 11.23 H new ATOM 157 N TYR A 11 -8.035 11.512 5.186 1.00 74.33 N ATOM 158 CA TYR A 11 -9.140 10.652 5.595 1.00 2.33 C ATOM 159 C TYR A 11 -10.054 11.373 6.581 1.00 54.21 C ATOM 160 O TYR A 11 -11.245 11.073 6.674 1.00 2.23 O ATOM 161 CB TYR A 11 -8.605 9.365 6.226 1.00 53.30 C ATOM 162 CG TYR A 11 -7.811 8.506 5.268 1.00 2.43 C ATOM 163 CD1 TYR A 11 -8.217 8.344 3.949 1.00 10.24 C ATOM 164 CD2 TYR A 11 -6.655 7.856 5.682 1.00 1.23 C ATOM 165 CE1 TYR A 11 -7.495 7.560 3.071 1.00 62.21 C ATOM 166 CE2 TYR A 11 -5.926 7.071 4.810 1.00 3.24 C ATOM 167 CZ TYR A 11 -6.350 6.926 3.506 1.00 63.20 C ATOM 168 OH TYR A 11 -5.627 6.144 2.635 1.00 62.52 O ATOM 0 H TYR A 11 -7.111 11.159 5.435 1.00 74.33 H new ATOM 0 HA TYR A 11 -9.720 10.400 4.707 1.00 2.33 H new ATOM 0 HB2 TYR A 11 -7.975 9.622 7.078 1.00 53.30 H new ATOM 0 HB3 TYR A 11 -9.443 8.784 6.613 1.00 53.30 H new ATOM 0 HD1 TYR A 11 -9.113 8.840 3.605 1.00 10.24 H new ATOM 0 HD2 TYR A 11 -6.321 7.966 6.703 1.00 1.23 H new ATOM 0 HE1 TYR A 11 -7.825 7.444 2.049 1.00 62.21 H new ATOM 0 HE2 TYR A 11 -5.029 6.574 5.148 1.00 3.24 H new ATOM 0 HH TYR A 11 -4.849 5.771 3.099 1.00 62.52 H new ATOM 178 N TYR A 12 -9.489 12.326 7.314 1.00 71.20 N ATOM 179 CA TYR A 12 -10.252 13.090 8.294 1.00 24.54 C ATOM 180 C TYR A 12 -11.417 13.817 7.631 1.00 34.35 C ATOM 181 O TYR A 12 -12.503 13.921 8.202 1.00 5.12 O ATOM 182 CB TYR A 12 -9.345 14.097 9.004 1.00 32.33 C ATOM 183 CG TYR A 12 -9.047 13.735 10.442 1.00 72.11 C ATOM 184 CD1 TYR A 12 -10.062 13.338 11.304 1.00 61.22 C ATOM 185 CD2 TYR A 12 -7.750 13.789 10.938 1.00 53.22 C ATOM 186 CE1 TYR A 12 -9.794 13.007 12.618 1.00 11.10 C ATOM 187 CE2 TYR A 12 -7.473 13.459 12.250 1.00 30.03 C ATOM 188 CZ TYR A 12 -8.498 13.069 13.087 1.00 53.05 C ATOM 189 OH TYR A 12 -8.227 12.739 14.395 1.00 52.13 O ATOM 0 H TYR A 12 -8.505 12.588 7.248 1.00 71.20 H new ATOM 0 HA TYR A 12 -10.654 12.392 9.028 1.00 24.54 H new ATOM 0 HB2 TYR A 12 -8.406 14.177 8.456 1.00 32.33 H new ATOM 0 HB3 TYR A 12 -9.815 15.080 8.976 1.00 32.33 H new ATOM 0 HD1 TYR A 12 -11.078 13.287 10.940 1.00 61.22 H new ATOM 0 HD2 TYR A 12 -6.945 14.094 10.286 1.00 53.22 H new ATOM 0 HE1 TYR A 12 -10.595 12.701 13.275 1.00 11.10 H new ATOM 0 HE2 TYR A 12 -6.459 13.506 12.619 1.00 30.03 H new ATOM 0 HH TYR A 12 -7.266 12.834 14.564 1.00 52.13 H new ATOM 199 N GLU A 13 -11.184 14.317 6.422 1.00 3.02 N ATOM 200 CA GLU A 13 -12.214 15.035 5.681 1.00 71.31 C ATOM 201 C GLU A 13 -13.395 14.121 5.367 1.00 20.51 C ATOM 202 O GLU A 13 -14.553 14.519 5.497 1.00 60.44 O ATOM 203 CB GLU A 13 -11.637 15.604 4.383 1.00 1.23 C ATOM 204 CG GLU A 13 -10.382 16.435 4.589 1.00 43.43 C ATOM 205 CD GLU A 13 -10.566 17.882 4.174 1.00 43.32 C ATOM 206 OE1 GLU A 13 -11.539 18.513 4.638 1.00 21.41 O ATOM 207 OE2 GLU A 13 -9.738 18.384 3.385 1.00 24.14 O ATOM 0 H GLU A 13 -10.291 14.238 5.935 1.00 3.02 H new ATOM 0 HA GLU A 13 -12.568 15.857 6.304 1.00 71.31 H new ATOM 0 HB2 GLU A 13 -11.411 14.782 3.704 1.00 1.23 H new ATOM 0 HB3 GLU A 13 -12.394 16.219 3.897 1.00 1.23 H new ATOM 0 HG2 GLU A 13 -10.093 16.396 5.639 1.00 43.43 H new ATOM 0 HG3 GLU A 13 -9.563 15.998 4.017 1.00 43.43 H new ATOM 214 N ILE A 14 -13.093 12.894 4.954 1.00 42.55 N ATOM 215 CA ILE A 14 -14.128 11.924 4.622 1.00 73.23 C ATOM 216 C ILE A 14 -14.932 11.534 5.857 1.00 35.13 C ATOM 217 O ILE A 14 -16.156 11.418 5.802 1.00 54.35 O ATOM 218 CB ILE A 14 -13.528 10.653 3.992 1.00 41.23 C ATOM 219 CG1 ILE A 14 -12.813 10.995 2.683 1.00 41.50 C ATOM 220 CG2 ILE A 14 -14.615 9.616 3.752 1.00 10.22 C ATOM 221 CD1 ILE A 14 -11.309 11.075 2.819 1.00 5.42 C ATOM 0 H ILE A 14 -12.140 12.549 4.842 1.00 42.55 H new ATOM 0 HA ILE A 14 -14.787 12.402 3.898 1.00 73.23 H new ATOM 0 HB ILE A 14 -12.798 10.232 4.684 1.00 41.23 H new ATOM 0 HG12 ILE A 14 -13.062 10.243 1.935 1.00 41.50 H new ATOM 0 HG13 ILE A 14 -13.187 11.949 2.313 1.00 41.50 H new ATOM 0 HG21 ILE A 14 -14.175 8.724 3.306 1.00 10.22 H new ATOM 0 HG22 ILE A 14 -15.084 9.354 4.701 1.00 10.22 H new ATOM 0 HG23 ILE A 14 -15.366 10.026 3.077 1.00 10.22 H new ATOM 0 HD11 ILE A 14 -10.869 11.321 1.853 1.00 5.42 H new ATOM 0 HD12 ILE A 14 -11.050 11.847 3.543 1.00 5.42 H new ATOM 0 HD13 ILE A 14 -10.923 10.114 3.159 1.00 5.42 H new ATOM 233 N GLN A 15 -14.236 11.334 6.971 1.00 3.33 N ATOM 234 CA GLN A 15 -14.886 10.958 8.221 1.00 3.53 C ATOM 235 C GLN A 15 -15.788 12.080 8.724 1.00 11.44 C ATOM 236 O GLN A 15 -16.915 11.837 9.157 1.00 73.23 O ATOM 237 CB GLN A 15 -13.839 10.616 9.282 1.00 25.43 C ATOM 238 CG GLN A 15 -12.842 9.559 8.834 1.00 31.43 C ATOM 239 CD GLN A 15 -11.571 9.568 9.660 1.00 21.42 C ATOM 240 OE1 GLN A 15 -11.473 10.276 10.663 1.00 51.04 O ATOM 241 NE2 GLN A 15 -10.588 8.778 9.243 1.00 1.30 N ATOM 0 H GLN A 15 -13.222 11.426 7.034 1.00 3.33 H new ATOM 0 HA GLN A 15 -15.501 10.079 8.031 1.00 3.53 H new ATOM 0 HB2 GLN A 15 -13.298 11.523 9.552 1.00 25.43 H new ATOM 0 HB3 GLN A 15 -14.346 10.267 10.182 1.00 25.43 H new ATOM 0 HG2 GLN A 15 -13.307 8.575 8.900 1.00 31.43 H new ATOM 0 HG3 GLN A 15 -12.591 9.723 7.786 1.00 31.43 H new ATOM 0 HE21 GLN A 15 -10.712 8.208 8.406 1.00 1.30 H new ATOM 0 HE22 GLN A 15 -9.709 8.741 9.759 1.00 1.30 H new ATOM 250 N CYS A 16 -15.285 13.308 8.665 1.00 13.45 N ATOM 251 CA CYS A 16 -16.046 14.468 9.116 1.00 0.55 C ATOM 252 C CYS A 16 -17.312 14.646 8.284 1.00 65.00 C ATOM 253 O CYS A 16 -18.364 15.011 8.806 1.00 21.44 O ATOM 254 CB CYS A 16 -15.186 15.731 9.036 1.00 75.15 C ATOM 255 SG CYS A 16 -15.583 16.975 10.286 1.00 5.03 S ATOM 0 H CYS A 16 -14.354 13.526 8.310 1.00 13.45 H new ATOM 0 HA CYS A 16 -16.336 14.300 10.153 1.00 0.55 H new ATOM 0 HB2 CYS A 16 -14.138 15.451 9.138 1.00 75.15 H new ATOM 0 HB3 CYS A 16 -15.303 16.175 8.047 1.00 75.15 H new ATOM 0 HG CYS A 16 -14.802 18.003 10.138 1.00 5.03 H new ATOM 261 N ASN A 17 -17.200 14.387 6.985 1.00 33.01 N ATOM 262 CA ASN A 17 -18.335 14.520 6.079 1.00 14.32 C ATOM 263 C ASN A 17 -19.492 13.630 6.522 1.00 34.20 C ATOM 264 O ASN A 17 -20.659 13.983 6.355 1.00 51.22 O ATOM 265 CB ASN A 17 -17.920 14.163 4.651 1.00 65.41 C ATOM 266 CG ASN A 17 -17.946 15.362 3.723 1.00 2.25 C ATOM 267 OD1 ASN A 17 -18.378 16.449 4.108 1.00 21.12 O ATOM 268 ND2 ASN A 17 -17.482 15.169 2.494 1.00 54.50 N ATOM 0 H ASN A 17 -16.335 14.084 6.537 1.00 33.01 H new ATOM 0 HA ASN A 17 -18.668 15.558 6.104 1.00 14.32 H new ATOM 0 HB2 ASN A 17 -16.916 13.738 4.663 1.00 65.41 H new ATOM 0 HB3 ASN A 17 -18.587 13.393 4.264 1.00 65.41 H new ATOM 0 HD21 ASN A 17 -17.474 15.939 1.825 1.00 54.50 H new ATOM 0 HD22 ASN A 17 -17.134 14.251 2.219 1.00 54.50 H new ATOM 275 N GLU A 18 -19.159 12.474 7.088 1.00 73.11 N ATOM 276 CA GLU A 18 -20.171 11.533 7.554 1.00 10.15 C ATOM 277 C GLU A 18 -20.942 12.107 8.739 1.00 14.05 C ATOM 278 O GLU A 18 -22.156 11.930 8.849 1.00 34.43 O ATOM 279 CB GLU A 18 -19.521 10.205 7.950 1.00 51.52 C ATOM 280 CG GLU A 18 -19.438 9.205 6.809 1.00 3.21 C ATOM 281 CD GLU A 18 -18.255 8.265 6.943 1.00 54.11 C ATOM 282 OE1 GLU A 18 -17.155 8.741 7.290 1.00 45.01 O ATOM 283 OE2 GLU A 18 -18.432 7.053 6.700 1.00 30.34 O ATOM 0 H GLU A 18 -18.197 12.167 7.235 1.00 73.11 H new ATOM 0 HA GLU A 18 -20.871 11.357 6.737 1.00 10.15 H new ATOM 0 HB2 GLU A 18 -18.516 10.399 8.326 1.00 51.52 H new ATOM 0 HB3 GLU A 18 -20.088 9.763 8.769 1.00 51.52 H new ATOM 0 HG2 GLU A 18 -20.358 8.622 6.774 1.00 3.21 H new ATOM 0 HG3 GLU A 18 -19.365 9.743 5.864 1.00 3.21 H new ATOM 290 N LEU A 19 -20.230 12.795 9.624 1.00 4.14 N ATOM 291 CA LEU A 19 -20.846 13.395 10.803 1.00 42.55 C ATOM 292 C LEU A 19 -21.852 14.470 10.403 1.00 45.30 C ATOM 293 O LEU A 19 -22.997 14.459 10.852 1.00 0.13 O ATOM 294 CB LEU A 19 -19.773 13.997 11.712 1.00 15.25 C ATOM 295 CG LEU A 19 -19.077 13.024 12.663 1.00 25.54 C ATOM 296 CD1 LEU A 19 -18.536 11.825 11.899 1.00 53.13 C ATOM 297 CD2 LEU A 19 -17.957 13.725 13.419 1.00 13.10 C ATOM 0 H LEU A 19 -19.225 12.952 9.548 1.00 4.14 H new ATOM 0 HA LEU A 19 -21.375 12.612 11.346 1.00 42.55 H new ATOM 0 HB2 LEU A 19 -19.015 14.466 11.085 1.00 15.25 H new ATOM 0 HB3 LEU A 19 -20.230 14.789 12.305 1.00 15.25 H new ATOM 0 HG LEU A 19 -19.810 12.668 13.387 1.00 25.54 H new ATOM 0 HD11 LEU A 19 -18.044 11.143 12.593 1.00 53.13 H new ATOM 0 HD12 LEU A 19 -19.358 11.308 11.404 1.00 53.13 H new ATOM 0 HD13 LEU A 19 -17.818 12.163 11.152 1.00 53.13 H new ATOM 0 HD21 LEU A 19 -17.473 13.017 14.091 1.00 13.10 H new ATOM 0 HD22 LEU A 19 -17.225 14.110 12.709 1.00 13.10 H new ATOM 0 HD23 LEU A 19 -18.370 14.551 13.998 1.00 13.10 H new ATOM 309 N GLU A 20 -21.415 15.396 9.555 1.00 50.15 N ATOM 310 CA GLU A 20 -22.279 16.477 9.094 1.00 64.13 C ATOM 311 C GLU A 20 -23.386 15.941 8.190 1.00 3.33 C ATOM 312 O GLU A 20 -24.513 16.434 8.214 1.00 71.22 O ATOM 313 CB GLU A 20 -21.459 17.530 8.345 1.00 13.21 C ATOM 314 CG GLU A 20 -20.245 16.962 7.630 1.00 73.33 C ATOM 315 CD GLU A 20 -19.823 17.801 6.439 1.00 14.04 C ATOM 316 OE1 GLU A 20 -20.427 17.643 5.358 1.00 44.23 O ATOM 317 OE2 GLU A 20 -18.889 18.616 6.591 1.00 54.45 O ATOM 0 H GLU A 20 -20.469 15.419 9.174 1.00 50.15 H new ATOM 0 HA GLU A 20 -22.739 16.938 9.968 1.00 64.13 H new ATOM 0 HB2 GLU A 20 -22.100 18.026 7.616 1.00 13.21 H new ATOM 0 HB3 GLU A 20 -21.130 18.292 9.052 1.00 13.21 H new ATOM 0 HG2 GLU A 20 -19.414 16.892 8.332 1.00 73.33 H new ATOM 0 HG3 GLU A 20 -20.466 15.949 7.295 1.00 73.33 H new ATOM 324 N ALA A 21 -23.054 14.930 7.395 1.00 74.43 N ATOM 325 CA ALA A 21 -24.020 14.326 6.485 1.00 63.24 C ATOM 326 C ALA A 21 -25.127 13.612 7.253 1.00 1.41 C ATOM 327 O ALA A 21 -26.312 13.827 6.995 1.00 3.34 O ATOM 328 CB ALA A 21 -23.321 13.358 5.541 1.00 74.20 C ATOM 0 H ALA A 21 -22.124 14.512 7.362 1.00 74.43 H new ATOM 0 HA ALA A 21 -24.477 15.123 5.899 1.00 63.24 H new ATOM 0 HB1 ALA A 21 -24.054 12.914 4.867 1.00 74.20 H new ATOM 0 HB2 ALA A 21 -22.571 13.894 4.959 1.00 74.20 H new ATOM 0 HB3 ALA A 21 -22.837 12.571 6.120 1.00 74.20 H new ATOM 334 N ILE A 22 -24.734 12.763 8.196 1.00 4.23 N ATOM 335 CA ILE A 22 -25.694 12.019 9.002 1.00 64.11 C ATOM 336 C ILE A 22 -26.381 12.927 10.016 1.00 23.34 C ATOM 337 O ILE A 22 -27.559 12.749 10.326 1.00 22.52 O ATOM 338 CB ILE A 22 -25.018 10.853 9.748 1.00 74.12 C ATOM 339 CG1 ILE A 22 -24.918 9.627 8.838 1.00 61.21 C ATOM 340 CG2 ILE A 22 -25.790 10.517 11.015 1.00 32.00 C ATOM 341 CD1 ILE A 22 -24.641 9.969 7.391 1.00 51.32 C ATOM 0 H ILE A 22 -23.757 12.573 8.421 1.00 4.23 H new ATOM 0 HA ILE A 22 -26.439 11.617 8.315 1.00 64.11 H new ATOM 0 HB ILE A 22 -24.010 11.157 10.030 1.00 74.12 H new ATOM 0 HG12 ILE A 22 -24.126 8.975 9.207 1.00 61.21 H new ATOM 0 HG13 ILE A 22 -25.849 9.063 8.898 1.00 61.21 H new ATOM 0 HG21 ILE A 22 -25.300 9.691 11.531 1.00 32.00 H new ATOM 0 HG22 ILE A 22 -25.815 11.389 11.668 1.00 32.00 H new ATOM 0 HG23 ILE A 22 -26.809 10.229 10.755 1.00 32.00 H new ATOM 0 HD11 ILE A 22 -24.583 9.052 6.805 1.00 51.32 H new ATOM 0 HD12 ILE A 22 -25.445 10.596 7.005 1.00 51.32 H new ATOM 0 HD13 ILE A 22 -23.695 10.506 7.319 1.00 51.32 H new ATOM 353 N ARG A 23 -25.637 13.901 10.529 1.00 1.42 N ATOM 354 CA ARG A 23 -26.174 14.838 11.508 1.00 15.15 C ATOM 355 C ARG A 23 -27.462 15.478 10.999 1.00 55.13 C ATOM 356 O ARG A 23 -28.383 15.745 11.771 1.00 30.42 O ATOM 357 CB ARG A 23 -25.144 15.923 11.827 1.00 54.43 C ATOM 358 CG ARG A 23 -24.268 15.598 13.025 1.00 2.51 C ATOM 359 CD ARG A 23 -22.896 16.242 12.902 1.00 5.24 C ATOM 360 NE ARG A 23 -22.496 16.919 14.133 1.00 33.14 N ATOM 361 CZ ARG A 23 -23.111 17.994 14.613 1.00 3.52 C ATOM 362 NH1 ARG A 23 -24.147 18.512 13.969 1.00 15.41 N ATOM 363 NH2 ARG A 23 -22.689 18.554 15.740 1.00 64.11 N ATOM 0 H ARG A 23 -24.660 14.062 10.283 1.00 1.42 H new ATOM 0 HA ARG A 23 -26.400 14.283 12.418 1.00 15.15 H new ATOM 0 HB2 ARG A 23 -24.509 16.077 10.955 1.00 54.43 H new ATOM 0 HB3 ARG A 23 -25.664 16.863 12.012 1.00 54.43 H new ATOM 0 HG2 ARG A 23 -24.754 15.945 13.937 1.00 2.51 H new ATOM 0 HG3 ARG A 23 -24.157 14.517 13.114 1.00 2.51 H new ATOM 0 HD2 ARG A 23 -22.159 15.479 12.652 1.00 5.24 H new ATOM 0 HD3 ARG A 23 -22.904 16.959 12.081 1.00 5.24 H new ATOM 0 HE ARG A 23 -21.701 16.546 14.652 1.00 33.14 H new ATOM 0 HH11 ARG A 23 -24.474 18.085 13.102 1.00 15.41 H new ATOM 0 HH12 ARG A 23 -24.617 19.338 14.340 1.00 15.41 H new ATOM 0 HH21 ARG A 23 -21.892 18.159 16.238 1.00 64.11 H new ATOM 0 HH22 ARG A 23 -23.162 19.380 16.108 1.00 64.11 H new ATOM 377 N SER A 24 -27.519 15.722 9.693 1.00 14.44 N ATOM 378 CA SER A 24 -28.692 16.335 9.081 1.00 54.12 C ATOM 379 C SER A 24 -29.893 15.396 9.148 1.00 12.42 C ATOM 380 O SER A 24 -31.038 15.841 9.243 1.00 24.05 O ATOM 381 CB SER A 24 -28.400 16.704 7.625 1.00 21.41 C ATOM 382 OG SER A 24 -28.380 15.551 6.801 1.00 21.23 O ATOM 0 H SER A 24 -26.767 15.505 9.039 1.00 14.44 H new ATOM 0 HA SER A 24 -28.930 17.242 9.638 1.00 54.12 H new ATOM 0 HB2 SER A 24 -29.157 17.400 7.264 1.00 21.41 H new ATOM 0 HB3 SER A 24 -27.440 17.217 7.562 1.00 21.41 H new ATOM 0 HG SER A 24 -27.579 15.022 6.998 1.00 21.23 H new ATOM 388 N ILE A 25 -29.623 14.096 9.098 1.00 54.40 N ATOM 389 CA ILE A 25 -30.681 13.095 9.154 1.00 24.53 C ATOM 390 C ILE A 25 -31.079 12.796 10.596 1.00 65.32 C ATOM 391 O ILE A 25 -32.264 12.706 10.918 1.00 45.22 O ATOM 392 CB ILE A 25 -30.251 11.783 8.470 1.00 41.51 C ATOM 393 CG1 ILE A 25 -29.924 12.035 6.997 1.00 43.24 C ATOM 394 CG2 ILE A 25 -31.344 10.733 8.604 1.00 44.34 C ATOM 395 CD1 ILE A 25 -28.555 11.537 6.588 1.00 51.31 C ATOM 0 H ILE A 25 -28.682 13.712 9.019 1.00 54.40 H new ATOM 0 HA ILE A 25 -31.537 13.510 8.622 1.00 24.53 H new ATOM 0 HB ILE A 25 -29.354 11.410 8.963 1.00 41.51 H new ATOM 0 HG12 ILE A 25 -30.678 11.550 6.378 1.00 43.24 H new ATOM 0 HG13 ILE A 25 -29.987 13.105 6.797 1.00 43.24 H new ATOM 0 HG21 ILE A 25 -31.025 9.812 8.116 1.00 44.34 H new ATOM 0 HG22 ILE A 25 -31.533 10.538 9.659 1.00 44.34 H new ATOM 0 HG23 ILE A 25 -32.257 11.096 8.133 1.00 44.34 H new ATOM 0 HD11 ILE A 25 -28.391 11.749 5.531 1.00 51.31 H new ATOM 0 HD12 ILE A 25 -27.792 12.041 7.182 1.00 51.31 H new ATOM 0 HD13 ILE A 25 -28.494 10.462 6.756 1.00 51.31 H new ATOM 407 N TYR A 26 -30.081 12.644 11.460 1.00 61.04 N ATOM 408 CA TYR A 26 -30.326 12.355 12.867 1.00 33.34 C ATOM 409 C TYR A 26 -30.044 13.579 13.732 1.00 1.25 C ATOM 410 O TYR A 26 -29.395 13.481 14.773 1.00 3.23 O ATOM 411 CB TYR A 26 -29.460 11.181 13.327 1.00 21.11 C ATOM 412 CG TYR A 26 -29.656 9.926 12.507 1.00 60.10 C ATOM 413 CD1 TYR A 26 -30.920 9.545 12.075 1.00 52.13 C ATOM 414 CD2 TYR A 26 -28.576 9.121 12.164 1.00 54.35 C ATOM 415 CE1 TYR A 26 -31.104 8.399 11.326 1.00 61.20 C ATOM 416 CE2 TYR A 26 -28.750 7.974 11.414 1.00 55.12 C ATOM 417 CZ TYR A 26 -30.016 7.617 10.998 1.00 71.11 C ATOM 418 OH TYR A 26 -30.195 6.475 10.251 1.00 42.00 O ATOM 0 H TYR A 26 -29.095 12.716 11.210 1.00 61.04 H new ATOM 0 HA TYR A 26 -31.377 12.088 12.979 1.00 33.34 H new ATOM 0 HB2 TYR A 26 -28.411 11.474 13.282 1.00 21.11 H new ATOM 0 HB3 TYR A 26 -29.685 10.962 14.371 1.00 21.11 H new ATOM 0 HD1 TYR A 26 -31.774 10.155 12.329 1.00 52.13 H new ATOM 0 HD2 TYR A 26 -27.584 9.397 12.489 1.00 54.35 H new ATOM 0 HE1 TYR A 26 -32.094 8.117 10.999 1.00 61.20 H new ATOM 0 HE2 TYR A 26 -27.900 7.360 11.155 1.00 55.12 H new ATOM 0 HH TYR A 26 -30.966 6.590 9.657 1.00 42.00 H new ATOM 428 N MET A 27 -30.538 14.732 13.293 1.00 4.33 N ATOM 429 CA MET A 27 -30.341 15.977 14.028 1.00 65.33 C ATOM 430 C MET A 27 -30.635 15.785 15.512 1.00 74.41 C ATOM 431 O MET A 27 -29.797 16.079 16.364 1.00 21.41 O ATOM 432 CB MET A 27 -31.235 17.078 13.456 1.00 15.24 C ATOM 433 CG MET A 27 -31.093 17.259 11.954 1.00 45.11 C ATOM 434 SD MET A 27 -32.683 17.308 11.106 1.00 60.02 S ATOM 435 CE MET A 27 -33.361 15.716 11.566 1.00 34.45 C ATOM 0 H MET A 27 -31.077 14.831 12.433 1.00 4.33 H new ATOM 0 HA MET A 27 -29.298 16.273 13.919 1.00 65.33 H new ATOM 0 HB2 MET A 27 -32.275 16.848 13.689 1.00 15.24 H new ATOM 0 HB3 MET A 27 -30.999 18.020 13.951 1.00 15.24 H new ATOM 0 HG2 MET A 27 -30.550 18.183 11.753 1.00 45.11 H new ATOM 0 HG3 MET A 27 -30.495 16.443 11.549 1.00 45.11 H new ATOM 0 HE1 MET A 27 -34.432 15.814 11.743 1.00 34.45 H new ATOM 0 HE2 MET A 27 -33.191 15.002 10.761 1.00 34.45 H new ATOM 0 HE3 MET A 27 -32.874 15.362 12.474 1.00 34.45 H new ATOM 445 N ASP A 28 -31.831 15.290 15.814 1.00 40.33 N ATOM 446 CA ASP A 28 -32.236 15.058 17.195 1.00 1.44 C ATOM 447 C ASP A 28 -32.003 13.604 17.593 1.00 3.21 C ATOM 448 O ASP A 28 -32.076 13.253 18.771 1.00 73.02 O ATOM 449 CB ASP A 28 -33.709 15.422 17.385 1.00 12.14 C ATOM 450 CG ASP A 28 -33.902 16.561 18.368 1.00 75.43 C ATOM 451 OD1 ASP A 28 -33.300 16.510 19.461 1.00 51.32 O ATOM 452 OD2 ASP A 28 -34.655 17.502 18.043 1.00 13.32 O ATOM 0 H ASP A 28 -32.537 15.042 15.120 1.00 40.33 H new ATOM 0 HA ASP A 28 -31.627 15.694 17.838 1.00 1.44 H new ATOM 0 HB2 ASP A 28 -34.139 15.700 16.423 1.00 12.14 H new ATOM 0 HB3 ASP A 28 -34.254 14.546 17.737 1.00 12.14 H new ATOM 457 N ASP A 29 -31.723 12.763 16.604 1.00 45.34 N ATOM 458 CA ASP A 29 -31.479 11.347 16.850 1.00 64.20 C ATOM 459 C ASP A 29 -29.985 11.039 16.817 1.00 22.05 C ATOM 460 O ASP A 29 -29.579 9.912 16.532 1.00 44.31 O ATOM 461 CB ASP A 29 -32.210 10.494 15.813 1.00 75.51 C ATOM 462 CG ASP A 29 -33.665 10.266 16.173 1.00 15.20 C ATOM 463 OD1 ASP A 29 -34.391 11.264 16.368 1.00 23.43 O ATOM 464 OD2 ASP A 29 -34.079 9.091 16.260 1.00 22.34 O ATOM 0 H ASP A 29 -31.659 13.038 15.624 1.00 45.34 H new ATOM 0 HA ASP A 29 -31.860 11.105 17.842 1.00 64.20 H new ATOM 0 HB2 ASP A 29 -32.152 10.981 14.840 1.00 75.51 H new ATOM 0 HB3 ASP A 29 -31.707 9.532 15.719 1.00 75.51 H new ATOM 469 N PHE A 30 -29.171 12.048 17.111 1.00 54.00 N ATOM 470 CA PHE A 30 -27.722 11.886 17.113 1.00 32.14 C ATOM 471 C PHE A 30 -27.166 11.984 18.531 1.00 13.00 C ATOM 472 O PHE A 30 -27.540 12.873 19.297 1.00 30.34 O ATOM 473 CB PHE A 30 -27.068 12.944 16.223 1.00 61.15 C ATOM 474 CG PHE A 30 -25.613 13.164 16.523 1.00 62.00 C ATOM 475 CD1 PHE A 30 -25.224 14.012 17.548 1.00 62.35 C ATOM 476 CD2 PHE A 30 -24.634 12.523 15.780 1.00 0.43 C ATOM 477 CE1 PHE A 30 -23.886 14.216 17.827 1.00 44.11 C ATOM 478 CE2 PHE A 30 -23.294 12.724 16.055 1.00 34.43 C ATOM 479 CZ PHE A 30 -22.920 13.572 17.079 1.00 63.10 C ATOM 0 H PHE A 30 -29.491 12.986 17.351 1.00 54.00 H new ATOM 0 HA PHE A 30 -27.492 10.896 16.718 1.00 32.14 H new ATOM 0 HB2 PHE A 30 -27.175 12.646 15.180 1.00 61.15 H new ATOM 0 HB3 PHE A 30 -27.602 13.887 16.341 1.00 61.15 H new ATOM 0 HD1 PHE A 30 -25.975 14.519 18.135 1.00 62.35 H new ATOM 0 HD2 PHE A 30 -24.921 11.859 14.978 1.00 0.43 H new ATOM 0 HE1 PHE A 30 -23.596 14.878 18.629 1.00 44.11 H new ATOM 0 HE2 PHE A 30 -22.540 12.218 15.470 1.00 34.43 H new ATOM 0 HZ PHE A 30 -21.874 13.731 17.294 1.00 63.10 H new ATOM 489 N THR A 31 -26.271 11.063 18.874 1.00 4.52 N ATOM 490 CA THR A 31 -25.664 11.044 20.199 1.00 22.11 C ATOM 491 C THR A 31 -24.188 11.420 20.134 1.00 50.14 C ATOM 492 O THR A 31 -23.442 10.902 19.302 1.00 0.43 O ATOM 493 CB THR A 31 -25.800 9.659 20.859 1.00 70.30 C ATOM 494 OG1 THR A 31 -27.172 9.401 21.177 1.00 30.53 O ATOM 495 CG2 THR A 31 -24.957 9.576 22.122 1.00 23.14 C ATOM 0 H THR A 31 -25.950 10.320 18.252 1.00 4.52 H new ATOM 0 HA THR A 31 -26.197 11.780 20.801 1.00 22.11 H new ATOM 0 HB THR A 31 -25.443 8.908 20.154 1.00 70.30 H new ATOM 0 HG1 THR A 31 -27.251 8.518 21.595 1.00 30.53 H new ATOM 0 HG21 THR A 31 -25.069 8.589 22.570 1.00 23.14 H new ATOM 0 HG22 THR A 31 -23.909 9.744 21.872 1.00 23.14 H new ATOM 0 HG23 THR A 31 -25.287 10.336 22.830 1.00 23.14 H new ATOM 503 N ASP A 32 -23.773 12.323 21.015 1.00 1.01 N ATOM 504 CA ASP A 32 -22.385 12.767 21.058 1.00 4.35 C ATOM 505 C ASP A 32 -21.595 11.983 22.102 1.00 34.00 C ATOM 506 O ASP A 32 -21.857 12.087 23.301 1.00 31.22 O ATOM 507 CB ASP A 32 -22.315 14.264 21.367 1.00 71.20 C ATOM 508 CG ASP A 32 -21.452 15.020 20.376 1.00 24.43 C ATOM 509 OD1 ASP A 32 -20.480 14.426 19.863 1.00 12.41 O ATOM 510 OD2 ASP A 32 -21.747 16.205 20.115 1.00 63.22 O ATOM 0 H ASP A 32 -24.378 12.762 21.709 1.00 1.01 H new ATOM 0 HA ASP A 32 -21.941 12.584 20.079 1.00 4.35 H new ATOM 0 HB2 ASP A 32 -23.322 14.681 21.360 1.00 71.20 H new ATOM 0 HB3 ASP A 32 -21.918 14.406 22.372 1.00 71.20 H new ATOM 515 N LEU A 33 -20.629 11.198 21.638 1.00 34.34 N ATOM 516 CA LEU A 33 -19.802 10.394 22.532 1.00 41.14 C ATOM 517 C LEU A 33 -18.321 10.687 22.313 1.00 51.41 C ATOM 518 O LEU A 33 -17.458 10.111 22.976 1.00 42.32 O ATOM 519 CB LEU A 33 -20.077 8.905 22.312 1.00 45.43 C ATOM 520 CG LEU A 33 -19.978 8.411 20.868 1.00 32.22 C ATOM 521 CD1 LEU A 33 -18.735 8.972 20.195 1.00 14.20 C ATOM 522 CD2 LEU A 33 -19.969 6.890 20.825 1.00 34.31 C ATOM 0 H LEU A 33 -20.399 11.101 20.649 1.00 34.34 H new ATOM 0 HA LEU A 33 -20.058 10.656 23.558 1.00 41.14 H new ATOM 0 HB2 LEU A 33 -19.376 8.333 22.920 1.00 45.43 H new ATOM 0 HB3 LEU A 33 -21.077 8.682 22.684 1.00 45.43 H new ATOM 0 HG LEU A 33 -20.852 8.766 20.322 1.00 32.22 H new ATOM 0 HD11 LEU A 33 -18.682 8.609 19.168 1.00 14.20 H new ATOM 0 HD12 LEU A 33 -18.782 10.061 20.193 1.00 14.20 H new ATOM 0 HD13 LEU A 33 -17.848 8.648 20.740 1.00 14.20 H new ATOM 0 HD21 LEU A 33 -19.898 6.556 19.790 1.00 34.31 H new ATOM 0 HD22 LEU A 33 -19.113 6.515 21.387 1.00 34.31 H new ATOM 0 HD23 LEU A 33 -20.889 6.508 21.267 1.00 34.31 H new ATOM 534 N THR A 34 -18.033 11.589 21.379 1.00 12.45 N ATOM 535 CA THR A 34 -16.657 11.960 21.074 1.00 53.51 C ATOM 536 C THR A 34 -15.958 12.536 22.300 1.00 23.40 C ATOM 537 O THR A 34 -16.606 12.939 23.266 1.00 71.40 O ATOM 538 CB THR A 34 -16.594 12.991 19.930 1.00 31.34 C ATOM 539 OG1 THR A 34 -17.638 12.737 18.984 1.00 35.11 O ATOM 540 CG2 THR A 34 -15.245 12.940 19.230 1.00 63.50 C ATOM 0 H THR A 34 -18.735 12.076 20.821 1.00 12.45 H new ATOM 0 HA THR A 34 -16.146 11.049 20.762 1.00 53.51 H new ATOM 0 HB THR A 34 -16.726 13.985 20.358 1.00 31.34 H new ATOM 0 HG1 THR A 34 -17.484 11.871 18.552 1.00 35.11 H new ATOM 0 HG21 THR A 34 -15.224 13.676 18.426 1.00 63.50 H new ATOM 0 HG22 THR A 34 -14.455 13.162 19.947 1.00 63.50 H new ATOM 0 HG23 THR A 34 -15.088 11.945 18.814 1.00 63.50 H new ATOM 727 N GLN A 45 -11.786 11.488 17.994 1.00 62.30 N ATOM 728 CA GLN A 45 -11.498 10.672 16.820 1.00 24.34 C ATOM 729 C GLN A 45 -12.630 10.763 15.802 1.00 4.24 C ATOM 730 O GLN A 45 -12.674 9.997 14.839 1.00 13.33 O ATOM 731 CB GLN A 45 -11.279 9.214 17.228 1.00 32.42 C ATOM 732 CG GLN A 45 -10.993 8.290 16.055 1.00 1.20 C ATOM 733 CD GLN A 45 -10.338 6.991 16.481 1.00 11.02 C ATOM 734 OE1 GLN A 45 -9.113 6.899 16.567 1.00 32.15 O ATOM 735 NE2 GLN A 45 -11.153 5.978 16.751 1.00 62.32 N ATOM 0 HA GLN A 45 -10.588 11.054 16.358 1.00 24.34 H new ATOM 0 HB2 GLN A 45 -10.447 9.163 17.931 1.00 32.42 H new ATOM 0 HB3 GLN A 45 -12.164 8.856 17.754 1.00 32.42 H new ATOM 0 HG2 GLN A 45 -11.926 8.069 15.536 1.00 1.20 H new ATOM 0 HG3 GLN A 45 -10.346 8.802 15.343 1.00 1.20 H new ATOM 0 HE21 GLN A 45 -12.162 6.099 16.666 1.00 62.32 H new ATOM 0 HE22 GLN A 45 -10.770 5.079 17.043 1.00 62.32 H new ATOM 744 N ILE A 46 -13.542 11.704 16.022 1.00 22.15 N ATOM 745 CA ILE A 46 -14.673 11.895 15.124 1.00 52.34 C ATOM 746 C ILE A 46 -15.797 10.914 15.438 1.00 14.33 C ATOM 747 O ILE A 46 -16.977 11.242 15.302 1.00 24.31 O ATOM 748 CB ILE A 46 -14.257 11.726 13.651 1.00 43.24 C ATOM 749 CG1 ILE A 46 -14.785 12.891 12.811 1.00 0.55 C ATOM 750 CG2 ILE A 46 -14.766 10.400 13.105 1.00 4.22 C ATOM 751 CD1 ILE A 46 -13.709 13.867 12.387 1.00 74.31 C ATOM 0 H ILE A 46 -13.519 12.346 16.814 1.00 22.15 H new ATOM 0 HA ILE A 46 -15.029 12.913 15.278 1.00 52.34 H new ATOM 0 HB ILE A 46 -13.168 11.726 13.595 1.00 43.24 H new ATOM 0 HG12 ILE A 46 -15.275 12.494 11.922 1.00 0.55 H new ATOM 0 HG13 ILE A 46 -15.544 13.425 13.382 1.00 0.55 H new ATOM 0 HG21 ILE A 46 -14.464 10.296 12.063 1.00 4.22 H new ATOM 0 HG22 ILE A 46 -14.346 9.581 13.689 1.00 4.22 H new ATOM 0 HG23 ILE A 46 -15.854 10.372 13.172 1.00 4.22 H new ATOM 0 HD11 ILE A 46 -14.155 14.666 11.795 1.00 74.31 H new ATOM 0 HD12 ILE A 46 -13.234 14.292 13.271 1.00 74.31 H new ATOM 0 HD13 ILE A 46 -12.961 13.347 11.789 1.00 74.31 H new ATOM 763 N ILE A 47 -15.424 9.711 15.861 1.00 12.21 N ATOM 764 CA ILE A 47 -16.401 8.683 16.198 1.00 13.52 C ATOM 765 C ILE A 47 -17.649 9.296 16.825 1.00 31.15 C ATOM 766 O ILE A 47 -17.577 10.320 17.505 1.00 23.00 O ATOM 767 CB ILE A 47 -15.811 7.642 17.167 1.00 14.14 C ATOM 768 CG1 ILE A 47 -15.717 8.224 18.579 1.00 23.35 C ATOM 769 CG2 ILE A 47 -14.443 7.184 16.684 1.00 14.24 C ATOM 770 CD1 ILE A 47 -14.573 9.198 18.756 1.00 21.44 C ATOM 0 H ILE A 47 -14.452 9.424 15.979 1.00 12.21 H new ATOM 0 HA ILE A 47 -16.672 8.187 15.266 1.00 13.52 H new ATOM 0 HB ILE A 47 -16.473 6.776 17.195 1.00 14.14 H new ATOM 0 HG12 ILE A 47 -16.653 8.728 18.819 1.00 23.35 H new ATOM 0 HG13 ILE A 47 -15.603 7.408 19.293 1.00 23.35 H new ATOM 0 HG21 ILE A 47 -14.039 6.448 17.380 1.00 14.24 H new ATOM 0 HG22 ILE A 47 -14.538 6.735 15.695 1.00 14.24 H new ATOM 0 HG23 ILE A 47 -13.771 8.040 16.631 1.00 14.24 H new ATOM 0 HD11 ILE A 47 -14.567 9.570 19.780 1.00 21.44 H new ATOM 0 HD12 ILE A 47 -13.630 8.693 18.548 1.00 21.44 H new ATOM 0 HD13 ILE A 47 -14.697 10.033 18.067 1.00 21.44 H new ATOM 782 N PHE A 48 -18.793 8.661 16.594 1.00 33.24 N ATOM 783 CA PHE A 48 -20.058 9.142 17.138 1.00 51.34 C ATOM 784 C PHE A 48 -21.096 8.024 17.173 1.00 3.10 C ATOM 785 O PHE A 48 -20.988 7.040 16.442 1.00 43.54 O ATOM 786 CB PHE A 48 -20.582 10.314 16.304 1.00 34.43 C ATOM 787 CG PHE A 48 -20.959 9.930 14.902 1.00 53.32 C ATOM 788 CD1 PHE A 48 -19.984 9.621 13.968 1.00 25.01 C ATOM 789 CD2 PHE A 48 -22.289 9.880 14.517 1.00 35.21 C ATOM 790 CE1 PHE A 48 -20.327 9.267 12.677 1.00 41.43 C ATOM 791 CE2 PHE A 48 -22.639 9.527 13.227 1.00 21.54 C ATOM 792 CZ PHE A 48 -21.656 9.221 12.306 1.00 54.22 C ATOM 0 H PHE A 48 -18.870 7.812 16.034 1.00 33.24 H new ATOM 0 HA PHE A 48 -19.881 9.481 18.159 1.00 51.34 H new ATOM 0 HB2 PHE A 48 -21.452 10.743 16.801 1.00 34.43 H new ATOM 0 HB3 PHE A 48 -19.820 11.092 16.267 1.00 34.43 H new ATOM 0 HD1 PHE A 48 -18.943 9.657 14.252 1.00 25.01 H new ATOM 0 HD2 PHE A 48 -23.061 10.120 15.233 1.00 35.21 H new ATOM 0 HE1 PHE A 48 -19.557 9.027 11.959 1.00 41.43 H new ATOM 0 HE2 PHE A 48 -23.679 9.491 12.940 1.00 21.54 H new ATOM 0 HZ PHE A 48 -21.927 8.946 11.297 1.00 54.22 H new ATOM 802 N GLU A 49 -22.100 8.183 18.030 1.00 42.44 N ATOM 803 CA GLU A 49 -23.156 7.187 18.161 1.00 21.35 C ATOM 804 C GLU A 49 -24.473 7.711 17.596 1.00 64.02 C ATOM 805 O GLU A 49 -24.655 8.918 17.437 1.00 43.44 O ATOM 806 CB GLU A 49 -23.338 6.796 19.630 1.00 75.04 C ATOM 807 CG GLU A 49 -22.711 5.459 19.986 1.00 21.12 C ATOM 808 CD GLU A 49 -22.887 5.104 21.450 1.00 61.32 C ATOM 809 OE1 GLU A 49 -23.207 6.010 22.247 1.00 40.24 O ATOM 810 OE2 GLU A 49 -22.704 3.918 21.798 1.00 55.20 O ATOM 0 H GLU A 49 -22.204 8.992 18.643 1.00 42.44 H new ATOM 0 HA GLU A 49 -22.862 6.306 17.591 1.00 21.35 H new ATOM 0 HB2 GLU A 49 -22.902 7.571 20.260 1.00 75.04 H new ATOM 0 HB3 GLU A 49 -24.403 6.761 19.859 1.00 75.04 H new ATOM 0 HG2 GLU A 49 -23.156 4.678 19.370 1.00 21.12 H new ATOM 0 HG3 GLU A 49 -21.648 5.485 19.748 1.00 21.12 H new ATOM 817 N ILE A 50 -25.386 6.795 17.294 1.00 74.12 N ATOM 818 CA ILE A 50 -26.686 7.164 16.747 1.00 41.34 C ATOM 819 C ILE A 50 -27.804 6.352 17.390 1.00 75.31 C ATOM 820 O ILE A 50 -27.663 5.149 17.616 1.00 54.33 O ATOM 821 CB ILE A 50 -26.732 6.962 15.220 1.00 11.25 C ATOM 822 CG1 ILE A 50 -25.919 8.050 14.515 1.00 33.22 C ATOM 823 CG2 ILE A 50 -28.172 6.967 14.729 1.00 21.30 C ATOM 824 CD1 ILE A 50 -26.462 9.445 14.730 1.00 13.24 C ATOM 0 H ILE A 50 -25.250 5.792 17.419 1.00 74.12 H new ATOM 0 HA ILE A 50 -26.834 8.221 16.970 1.00 41.34 H new ATOM 0 HB ILE A 50 -26.291 5.994 14.982 1.00 11.25 H new ATOM 0 HG12 ILE A 50 -24.889 8.011 14.871 1.00 33.22 H new ATOM 0 HG13 ILE A 50 -25.895 7.839 13.446 1.00 33.22 H new ATOM 0 HG21 ILE A 50 -28.189 6.823 13.649 1.00 21.30 H new ATOM 0 HG22 ILE A 50 -28.724 6.160 15.211 1.00 21.30 H new ATOM 0 HG23 ILE A 50 -28.637 7.922 14.975 1.00 21.30 H new ATOM 0 HD11 ILE A 50 -25.836 10.164 14.202 1.00 13.24 H new ATOM 0 HD12 ILE A 50 -27.481 9.501 14.348 1.00 13.24 H new ATOM 0 HD13 ILE A 50 -26.460 9.676 15.795 1.00 13.24 H new ATOM 836 N THR A 51 -28.918 7.016 17.682 1.00 75.10 N ATOM 837 CA THR A 51 -30.062 6.356 18.299 1.00 54.14 C ATOM 838 C THR A 51 -30.952 5.702 17.248 1.00 53.44 C ATOM 839 O THR A 51 -31.523 6.382 16.393 1.00 32.52 O ATOM 840 CB THR A 51 -30.905 7.347 19.124 1.00 62.12 C ATOM 841 OG1 THR A 51 -30.062 8.078 20.021 1.00 43.43 O ATOM 842 CG2 THR A 51 -31.980 6.616 19.913 1.00 14.13 C ATOM 0 H THR A 51 -29.052 8.011 17.501 1.00 75.10 H new ATOM 0 HA THR A 51 -29.664 5.589 18.963 1.00 54.14 H new ATOM 0 HB THR A 51 -31.389 8.039 18.436 1.00 62.12 H new ATOM 0 HG1 THR A 51 -30.605 8.707 20.541 1.00 43.43 H new ATOM 0 HG21 THR A 51 -32.562 7.336 20.488 1.00 14.13 H new ATOM 0 HG22 THR A 51 -32.637 6.084 19.225 1.00 14.13 H new ATOM 0 HG23 THR A 51 -31.512 5.904 20.592 1.00 14.13 H new ATOM 850 N LEU A 52 -31.067 4.381 17.316 1.00 73.31 N ATOM 851 CA LEU A 52 -31.890 3.634 16.370 1.00 44.41 C ATOM 852 C LEU A 52 -32.970 2.840 17.096 1.00 20.42 C ATOM 853 O LEU A 52 -32.869 2.591 18.298 1.00 75.13 O ATOM 854 CB LEU A 52 -31.018 2.691 15.540 1.00 65.14 C ATOM 855 CG LEU A 52 -30.231 3.335 14.397 1.00 33.31 C ATOM 856 CD1 LEU A 52 -29.548 2.270 13.553 1.00 52.02 C ATOM 857 CD2 LEU A 52 -31.147 4.193 13.537 1.00 11.41 C ATOM 0 H LEU A 52 -30.601 3.804 18.016 1.00 73.31 H new ATOM 0 HA LEU A 52 -32.376 4.349 15.706 1.00 44.41 H new ATOM 0 HB2 LEU A 52 -30.312 2.199 16.209 1.00 65.14 H new ATOM 0 HB3 LEU A 52 -31.656 1.913 15.122 1.00 65.14 H new ATOM 0 HG LEU A 52 -29.462 3.977 14.827 1.00 33.31 H new ATOM 0 HD11 LEU A 52 -28.993 2.747 12.745 1.00 52.02 H new ATOM 0 HD12 LEU A 52 -28.861 1.697 14.176 1.00 52.02 H new ATOM 0 HD13 LEU A 52 -30.299 1.602 13.132 1.00 52.02 H new ATOM 0 HD21 LEU A 52 -30.571 4.643 12.729 1.00 11.41 H new ATOM 0 HD22 LEU A 52 -31.938 3.572 13.116 1.00 11.41 H new ATOM 0 HD23 LEU A 52 -31.590 4.979 14.149 1.00 11.41 H new ATOM 869 N ARG A 53 -34.002 2.442 16.359 1.00 44.14 N ATOM 870 CA ARG A 53 -35.100 1.674 16.932 1.00 12.33 C ATOM 871 C ARG A 53 -36.118 1.296 15.860 1.00 45.33 C ATOM 872 O ARG A 53 -35.966 1.655 14.692 1.00 64.10 O ATOM 873 CB ARG A 53 -35.786 2.475 18.041 1.00 63.00 C ATOM 874 CG ARG A 53 -36.427 3.764 17.554 1.00 40.10 C ATOM 875 CD ARG A 53 -35.756 4.985 18.164 1.00 35.01 C ATOM 876 NE ARG A 53 -35.735 6.116 17.241 1.00 41.32 N ATOM 877 CZ ARG A 53 -36.750 6.959 17.088 1.00 50.25 C ATOM 878 NH1 ARG A 53 -37.861 6.799 17.793 1.00 11.41 N ATOM 879 NH2 ARG A 53 -36.655 7.965 16.227 1.00 3.03 N ATOM 0 H ARG A 53 -34.100 2.639 15.363 1.00 44.14 H new ATOM 0 HA ARG A 53 -34.687 0.758 17.355 1.00 12.33 H new ATOM 0 HB2 ARG A 53 -36.550 1.853 18.507 1.00 63.00 H new ATOM 0 HB3 ARG A 53 -35.053 2.712 18.812 1.00 63.00 H new ATOM 0 HG2 ARG A 53 -36.361 3.816 16.467 1.00 40.10 H new ATOM 0 HG3 ARG A 53 -37.487 3.764 17.810 1.00 40.10 H new ATOM 0 HD2 ARG A 53 -36.282 5.270 19.075 1.00 35.01 H new ATOM 0 HD3 ARG A 53 -34.735 4.732 18.451 1.00 35.01 H new ATOM 0 HE ARG A 53 -34.895 6.267 16.683 1.00 41.32 H new ATOM 0 HH11 ARG A 53 -37.938 6.027 18.455 1.00 11.41 H new ATOM 0 HH12 ARG A 53 -38.639 7.448 17.673 1.00 11.41 H new ATOM 0 HH21 ARG A 53 -35.802 8.091 15.682 1.00 3.03 H new ATOM 0 HH22 ARG A 53 -37.435 8.612 16.110 1.00 3.03 H new ATOM 893 N SER A 54 -37.154 0.570 16.265 1.00 73.44 N ATOM 894 CA SER A 54 -38.194 0.139 15.338 1.00 55.13 C ATOM 895 C SER A 54 -38.956 1.338 14.781 1.00 14.02 C ATOM 896 O SER A 54 -38.723 2.478 15.184 1.00 74.21 O ATOM 897 CB SER A 54 -39.164 -0.817 16.035 1.00 73.02 C ATOM 898 OG SER A 54 -38.905 -2.162 15.670 1.00 12.33 O ATOM 0 H SER A 54 -37.296 0.268 17.229 1.00 73.44 H new ATOM 0 HA SER A 54 -37.714 -0.382 14.509 1.00 55.13 H new ATOM 0 HB2 SER A 54 -39.075 -0.707 17.116 1.00 73.02 H new ATOM 0 HB3 SER A 54 -40.189 -0.556 15.771 1.00 73.02 H new ATOM 0 HG SER A 54 -39.537 -2.753 16.130 1.00 12.33 H new ATOM 904 N VAL A 55 -39.869 1.072 13.852 1.00 62.12 N ATOM 905 CA VAL A 55 -40.667 2.127 13.239 1.00 3.45 C ATOM 906 C VAL A 55 -41.832 2.526 14.138 1.00 53.35 C ATOM 907 O VAL A 55 -42.285 3.671 14.113 1.00 61.12 O ATOM 908 CB VAL A 55 -41.215 1.692 11.868 1.00 54.03 C ATOM 909 CG1 VAL A 55 -40.088 1.578 10.853 1.00 21.32 C ATOM 910 CG2 VAL A 55 -41.970 0.377 11.989 1.00 22.42 C ATOM 0 H VAL A 55 -40.074 0.134 13.507 1.00 62.12 H new ATOM 0 HA VAL A 55 -40.008 2.984 13.102 1.00 3.45 H new ATOM 0 HB VAL A 55 -41.911 2.453 11.517 1.00 54.03 H new ATOM 0 HG11 VAL A 55 -40.495 1.269 9.890 1.00 21.32 H new ATOM 0 HG12 VAL A 55 -39.596 2.545 10.746 1.00 21.32 H new ATOM 0 HG13 VAL A 55 -39.364 0.838 11.195 1.00 21.32 H new ATOM 0 HG21 VAL A 55 -42.351 0.085 11.010 1.00 22.42 H new ATOM 0 HG22 VAL A 55 -41.298 -0.395 12.363 1.00 22.42 H new ATOM 0 HG23 VAL A 55 -42.803 0.498 12.681 1.00 22.42 H new ATOM 920 N ASP A 56 -42.314 1.575 14.930 1.00 3.00 N ATOM 921 CA ASP A 56 -43.426 1.827 15.838 1.00 14.13 C ATOM 922 C ASP A 56 -42.994 1.649 17.290 1.00 3.03 C ATOM 923 O ASP A 56 -41.804 1.530 17.585 1.00 12.51 O ATOM 924 CB ASP A 56 -44.593 0.890 15.522 1.00 20.22 C ATOM 925 CG ASP A 56 -45.934 1.594 15.583 1.00 32.23 C ATOM 926 OD1 ASP A 56 -46.108 2.464 16.462 1.00 22.52 O ATOM 927 OD2 ASP A 56 -46.811 1.274 14.753 1.00 43.53 O ATOM 0 H ASP A 56 -41.952 0.622 14.961 1.00 3.00 H new ATOM 0 HA ASP A 56 -43.750 2.858 15.698 1.00 14.13 H new ATOM 0 HB2 ASP A 56 -44.454 0.464 14.528 1.00 20.22 H new ATOM 0 HB3 ASP A 56 -44.590 0.059 16.228 1.00 20.22 H new ATOM 932 N LYS A 57 -43.967 1.632 18.195 1.00 51.34 N ATOM 933 CA LYS A 57 -43.688 1.469 19.616 1.00 35.34 C ATOM 934 C LYS A 57 -44.324 0.189 20.152 1.00 43.43 C ATOM 935 O LYS A 57 -44.017 -0.249 21.260 1.00 71.34 O ATOM 936 CB LYS A 57 -44.208 2.676 20.401 1.00 21.40 C ATOM 937 CG LYS A 57 -43.763 4.010 19.829 1.00 51.43 C ATOM 938 CD LYS A 57 -44.498 4.337 18.539 1.00 0.15 C ATOM 939 CE LYS A 57 -45.214 5.676 18.630 1.00 42.11 C ATOM 940 NZ LYS A 57 -45.923 6.013 17.364 1.00 23.43 N ATOM 0 H LYS A 57 -44.957 1.729 17.969 1.00 51.34 H new ATOM 0 HA LYS A 57 -42.608 1.399 19.743 1.00 35.34 H new ATOM 0 HB2 LYS A 57 -45.297 2.644 20.421 1.00 21.40 H new ATOM 0 HB3 LYS A 57 -43.868 2.601 21.434 1.00 21.40 H new ATOM 0 HG2 LYS A 57 -43.942 4.798 20.560 1.00 51.43 H new ATOM 0 HG3 LYS A 57 -42.690 3.987 19.641 1.00 51.43 H new ATOM 0 HD2 LYS A 57 -43.790 4.357 17.711 1.00 0.15 H new ATOM 0 HD3 LYS A 57 -45.221 3.551 18.321 1.00 0.15 H new ATOM 0 HE2 LYS A 57 -45.930 5.650 19.451 1.00 42.11 H new ATOM 0 HE3 LYS A 57 -44.492 6.459 18.861 1.00 42.11 H new ATOM 0 HZ1 LYS A 57 -46.398 6.932 17.466 1.00 23.43 H new ATOM 0 HZ2 LYS A 57 -45.236 6.063 16.584 1.00 23.43 H new ATOM 0 HZ3 LYS A 57 -46.630 5.279 17.156 1.00 23.43 H new ATOM 954 N GLU A 58 -45.209 -0.404 19.357 1.00 65.33 N ATOM 955 CA GLU A 58 -45.885 -1.634 19.752 1.00 54.20 C ATOM 956 C GLU A 58 -45.709 -2.717 18.692 1.00 63.21 C ATOM 957 O GLU A 58 -45.561 -2.438 17.502 1.00 73.42 O ATOM 958 CB GLU A 58 -47.375 -1.370 19.984 1.00 23.33 C ATOM 959 CG GLU A 58 -48.064 -0.698 18.809 1.00 14.22 C ATOM 960 CD GLU A 58 -49.386 -0.062 19.194 1.00 30.04 C ATOM 961 OE1 GLU A 58 -50.220 -0.755 19.814 1.00 1.42 O ATOM 962 OE2 GLU A 58 -49.586 1.129 18.876 1.00 62.01 O ATOM 0 H GLU A 58 -45.474 -0.053 18.437 1.00 65.33 H new ATOM 0 HA GLU A 58 -45.435 -1.983 20.681 1.00 54.20 H new ATOM 0 HB2 GLU A 58 -47.874 -2.316 20.195 1.00 23.33 H new ATOM 0 HB3 GLU A 58 -47.491 -0.744 20.869 1.00 23.33 H new ATOM 0 HG2 GLU A 58 -47.405 0.065 18.394 1.00 14.22 H new ATOM 0 HG3 GLU A 58 -48.234 -1.434 18.023 1.00 14.22 H new ATOM 969 N PRO A 59 -45.723 -3.984 19.133 1.00 51.21 N ATOM 970 CA PRO A 59 -45.897 -4.328 20.547 1.00 13.32 C ATOM 971 C PRO A 59 -44.686 -3.945 21.390 1.00 0.54 C ATOM 972 O PRO A 59 -44.707 -4.062 22.616 1.00 75.23 O ATOM 973 CB PRO A 59 -46.073 -5.848 20.524 1.00 70.14 C ATOM 974 CG PRO A 59 -45.383 -6.290 19.280 1.00 44.15 C ATOM 975 CD PRO A 59 -45.570 -5.178 18.285 1.00 42.22 C ATOM 0 HA PRO A 59 -46.735 -3.795 20.995 1.00 13.32 H new ATOM 0 HB2 PRO A 59 -45.632 -6.311 21.407 1.00 70.14 H new ATOM 0 HB3 PRO A 59 -47.127 -6.124 20.512 1.00 70.14 H new ATOM 0 HG2 PRO A 59 -44.325 -6.474 19.465 1.00 44.15 H new ATOM 0 HG3 PRO A 59 -45.808 -7.222 18.908 1.00 44.15 H new ATOM 0 HD2 PRO A 59 -44.714 -5.089 17.616 1.00 42.22 H new ATOM 0 HD3 PRO A 59 -46.447 -5.342 17.659 1.00 42.22 H new ATOM 983 N VAL A 60 -43.630 -3.485 20.727 1.00 40.14 N ATOM 984 CA VAL A 60 -42.410 -3.083 21.415 1.00 4.45 C ATOM 985 C VAL A 60 -41.808 -1.832 20.783 1.00 33.35 C ATOM 986 O VAL A 60 -42.264 -1.374 19.737 1.00 74.14 O ATOM 987 CB VAL A 60 -41.359 -4.209 21.399 1.00 2.34 C ATOM 988 CG1 VAL A 60 -41.872 -5.429 22.149 1.00 4.44 C ATOM 989 CG2 VAL A 60 -40.987 -4.569 19.969 1.00 30.41 C ATOM 0 H VAL A 60 -43.595 -3.382 19.713 1.00 40.14 H new ATOM 0 HA VAL A 60 -42.686 -2.868 22.447 1.00 4.45 H new ATOM 0 HB VAL A 60 -40.462 -3.853 21.905 1.00 2.34 H new ATOM 0 HG11 VAL A 60 -41.116 -6.214 22.127 1.00 4.44 H new ATOM 0 HG12 VAL A 60 -42.084 -5.158 23.183 1.00 4.44 H new ATOM 0 HG13 VAL A 60 -42.784 -5.791 21.675 1.00 4.44 H new ATOM 0 HG21 VAL A 60 -40.243 -5.366 19.976 1.00 30.41 H new ATOM 0 HG22 VAL A 60 -41.876 -4.907 19.436 1.00 30.41 H new ATOM 0 HG23 VAL A 60 -40.575 -3.693 19.469 1.00 30.41 H new ATOM 999 N GLU A 61 -40.782 -1.286 21.427 1.00 5.21 N ATOM 1000 CA GLU A 61 -40.118 -0.087 20.927 1.00 20.41 C ATOM 1001 C GLU A 61 -38.797 -0.440 20.249 1.00 1.34 C ATOM 1002 O GLU A 61 -38.284 0.324 19.431 1.00 21.51 O ATOM 1003 CB GLU A 61 -39.870 0.900 22.070 1.00 73.42 C ATOM 1004 CG GLU A 61 -38.893 2.008 21.716 1.00 60.14 C ATOM 1005 CD GLU A 61 -39.194 3.305 22.441 1.00 21.01 C ATOM 1006 OE1 GLU A 61 -40.388 3.592 22.671 1.00 45.33 O ATOM 1007 OE2 GLU A 61 -38.237 4.032 22.779 1.00 40.53 O ATOM 0 H GLU A 61 -40.392 -1.654 22.295 1.00 5.21 H new ATOM 0 HA GLU A 61 -40.772 0.379 20.190 1.00 20.41 H new ATOM 0 HB2 GLU A 61 -40.820 1.345 22.367 1.00 73.42 H new ATOM 0 HB3 GLU A 61 -39.490 0.355 22.934 1.00 73.42 H new ATOM 0 HG2 GLU A 61 -37.881 1.686 21.960 1.00 60.14 H new ATOM 0 HG3 GLU A 61 -38.921 2.182 20.640 1.00 60.14 H new ATOM 1014 N SER A 62 -38.251 -1.601 20.597 1.00 55.01 N ATOM 1015 CA SER A 62 -36.988 -2.053 20.026 1.00 32.42 C ATOM 1016 C SER A 62 -36.061 -0.873 19.754 1.00 10.45 C ATOM 1017 O SER A 62 -36.093 -0.279 18.676 1.00 20.34 O ATOM 1018 CB SER A 62 -37.238 -2.829 18.731 1.00 1.22 C ATOM 1019 OG SER A 62 -38.103 -3.929 18.954 1.00 11.32 O ATOM 0 H SER A 62 -38.664 -2.245 21.271 1.00 55.01 H new ATOM 0 HA SER A 62 -36.506 -2.712 20.749 1.00 32.42 H new ATOM 0 HB2 SER A 62 -37.674 -2.165 17.984 1.00 1.22 H new ATOM 0 HB3 SER A 62 -36.290 -3.184 18.327 1.00 1.22 H new ATOM 0 HG SER A 62 -37.580 -4.758 18.971 1.00 11.32 H new ATOM 1025 N SER A 63 -35.236 -0.537 20.741 1.00 64.21 N ATOM 1026 CA SER A 63 -34.301 0.575 20.611 1.00 34.11 C ATOM 1027 C SER A 63 -32.860 0.091 20.738 1.00 40.15 C ATOM 1028 O SER A 63 -32.484 -0.519 21.739 1.00 12.41 O ATOM 1029 CB SER A 63 -34.590 1.637 21.673 1.00 3.44 C ATOM 1030 OG SER A 63 -33.969 1.309 22.904 1.00 1.53 O ATOM 0 H SER A 63 -35.196 -1.019 21.639 1.00 64.21 H new ATOM 0 HA SER A 63 -34.432 1.015 19.622 1.00 34.11 H new ATOM 0 HB2 SER A 63 -34.232 2.607 21.329 1.00 3.44 H new ATOM 0 HB3 SER A 63 -35.667 1.728 21.818 1.00 3.44 H new ATOM 0 HG SER A 63 -33.527 0.438 22.826 1.00 1.53 H new ATOM 1036 N ILE A 64 -32.058 0.368 19.715 1.00 70.42 N ATOM 1037 CA ILE A 64 -30.658 -0.038 19.711 1.00 0.12 C ATOM 1038 C ILE A 64 -29.753 1.113 19.283 1.00 35.30 C ATOM 1039 O ILE A 64 -30.078 1.864 18.363 1.00 73.23 O ATOM 1040 CB ILE A 64 -30.422 -1.238 18.775 1.00 42.42 C ATOM 1041 CG1 ILE A 64 -31.333 -2.404 19.164 1.00 4.44 C ATOM 1042 CG2 ILE A 64 -28.961 -1.662 18.816 1.00 35.33 C ATOM 1043 CD1 ILE A 64 -31.066 -3.668 18.378 1.00 42.23 C ATOM 0 H ILE A 64 -32.354 0.872 18.879 1.00 70.42 H new ATOM 0 HA ILE A 64 -30.411 -0.331 20.732 1.00 0.12 H new ATOM 0 HB ILE A 64 -30.664 -0.938 17.755 1.00 42.42 H new ATOM 0 HG12 ILE A 64 -31.208 -2.613 20.226 1.00 4.44 H new ATOM 0 HG13 ILE A 64 -32.372 -2.107 19.018 1.00 4.44 H new ATOM 0 HG21 ILE A 64 -28.810 -2.511 18.149 1.00 35.33 H new ATOM 0 HG22 ILE A 64 -28.332 -0.832 18.495 1.00 35.33 H new ATOM 0 HG23 ILE A 64 -28.693 -1.947 19.833 1.00 35.33 H new ATOM 0 HD11 ILE A 64 -31.748 -4.452 18.707 1.00 42.23 H new ATOM 0 HD12 ILE A 64 -31.219 -3.475 17.316 1.00 42.23 H new ATOM 0 HD13 ILE A 64 -30.038 -3.989 18.544 1.00 42.23 H new ATOM 1055 N THR A 65 -28.614 1.245 19.956 1.00 74.02 N ATOM 1056 CA THR A 65 -27.662 2.303 19.645 1.00 3.22 C ATOM 1057 C THR A 65 -26.459 1.755 18.886 1.00 70.31 C ATOM 1058 O THR A 65 -25.706 0.930 19.407 1.00 55.14 O ATOM 1059 CB THR A 65 -27.170 3.009 20.923 1.00 64.11 C ATOM 1060 OG1 THR A 65 -28.287 3.383 21.737 1.00 24.11 O ATOM 1061 CG2 THR A 65 -26.351 4.244 20.578 1.00 70.21 C ATOM 0 H THR A 65 -28.329 0.632 20.720 1.00 74.02 H new ATOM 0 HA THR A 65 -28.185 3.025 19.018 1.00 3.22 H new ATOM 0 HB THR A 65 -26.536 2.314 21.474 1.00 64.11 H new ATOM 0 HG1 THR A 65 -27.966 3.830 22.548 1.00 24.11 H new ATOM 0 HG21 THR A 65 -26.015 4.726 21.496 1.00 70.21 H new ATOM 0 HG22 THR A 65 -25.485 3.952 19.983 1.00 70.21 H new ATOM 0 HG23 THR A 65 -26.965 4.940 20.007 1.00 70.21 H new ATOM 1069 N LEU A 66 -26.282 2.217 17.653 1.00 15.22 N ATOM 1070 CA LEU A 66 -25.169 1.773 16.822 1.00 53.24 C ATOM 1071 C LEU A 66 -23.986 2.729 16.940 1.00 73.24 C ATOM 1072 O LEU A 66 -24.039 3.861 16.458 1.00 64.13 O ATOM 1073 CB LEU A 66 -25.609 1.666 15.360 1.00 14.45 C ATOM 1074 CG LEU A 66 -25.827 0.250 14.827 1.00 53.11 C ATOM 1075 CD1 LEU A 66 -26.607 -0.584 15.831 1.00 75.41 C ATOM 1076 CD2 LEU A 66 -26.549 0.290 13.488 1.00 35.21 C ATOM 0 H LEU A 66 -26.895 2.899 17.207 1.00 15.22 H new ATOM 0 HA LEU A 66 -24.855 0.790 17.173 1.00 53.24 H new ATOM 0 HB2 LEU A 66 -26.537 2.225 15.239 1.00 14.45 H new ATOM 0 HB3 LEU A 66 -24.859 2.155 14.739 1.00 14.45 H new ATOM 0 HG LEU A 66 -24.853 -0.216 14.678 1.00 53.11 H new ATOM 0 HD11 LEU A 66 -26.753 -1.589 15.434 1.00 75.41 H new ATOM 0 HD12 LEU A 66 -26.051 -0.640 16.767 1.00 75.41 H new ATOM 0 HD13 LEU A 66 -27.577 -0.122 16.012 1.00 75.41 H new ATOM 0 HD21 LEU A 66 -26.696 -0.727 13.123 1.00 35.21 H new ATOM 0 HD22 LEU A 66 -27.517 0.775 13.611 1.00 35.21 H new ATOM 0 HD23 LEU A 66 -25.952 0.851 12.769 1.00 35.21 H new ATOM 1088 N HIS A 67 -22.919 2.265 17.582 1.00 30.21 N ATOM 1089 CA HIS A 67 -21.721 3.078 17.761 1.00 71.51 C ATOM 1090 C HIS A 67 -20.677 2.747 16.699 1.00 62.11 C ATOM 1091 O HIS A 67 -20.084 1.668 16.711 1.00 20.23 O ATOM 1092 CB HIS A 67 -21.134 2.859 19.156 1.00 72.53 C ATOM 1093 CG HIS A 67 -19.822 3.549 19.369 1.00 73.14 C ATOM 1094 ND1 HIS A 67 -19.423 4.648 18.638 1.00 62.23 N ATOM 1095 CD2 HIS A 67 -18.817 3.292 20.238 1.00 34.32 C ATOM 1096 CE1 HIS A 67 -18.228 5.036 19.047 1.00 32.42 C ATOM 1097 NE2 HIS A 67 -17.839 4.229 20.018 1.00 4.52 N ATOM 0 H HIS A 67 -22.859 1.331 17.987 1.00 30.21 H new ATOM 0 HA HIS A 67 -22.003 4.125 17.654 1.00 71.51 H new ATOM 0 HB2 HIS A 67 -21.847 3.213 19.901 1.00 72.53 H new ATOM 0 HB3 HIS A 67 -21.004 1.790 19.323 1.00 72.53 H new ATOM 0 HD2 HIS A 67 -18.790 2.497 20.969 1.00 34.32 H new ATOM 0 HE1 HIS A 67 -17.665 5.870 18.655 1.00 32.42 H new ATOM 0 HE2 HIS A 67 -16.955 4.292 20.522 1.00 4.52 H new ATOM 1105 N PHE A 68 -20.457 3.682 15.781 1.00 50.13 N ATOM 1106 CA PHE A 68 -19.486 3.489 14.710 1.00 4.24 C ATOM 1107 C PHE A 68 -18.221 4.302 14.971 1.00 41.32 C ATOM 1108 O PHE A 68 -18.287 5.442 15.429 1.00 4.41 O ATOM 1109 CB PHE A 68 -20.093 3.887 13.364 1.00 51.33 C ATOM 1110 CG PHE A 68 -21.579 4.100 13.416 1.00 40.32 C ATOM 1111 CD1 PHE A 68 -22.106 5.273 13.931 1.00 54.31 C ATOM 1112 CD2 PHE A 68 -22.448 3.127 12.950 1.00 33.12 C ATOM 1113 CE1 PHE A 68 -23.473 5.473 13.980 1.00 73.30 C ATOM 1114 CE2 PHE A 68 -23.816 3.321 12.996 1.00 21.23 C ATOM 1115 CZ PHE A 68 -24.329 4.494 13.513 1.00 51.50 C ATOM 0 H PHE A 68 -20.938 4.581 15.757 1.00 50.13 H new ATOM 0 HA PHE A 68 -19.219 2.433 14.681 1.00 4.24 H new ATOM 0 HB2 PHE A 68 -19.615 4.802 13.015 1.00 51.33 H new ATOM 0 HB3 PHE A 68 -19.871 3.112 12.631 1.00 51.33 H new ATOM 0 HD1 PHE A 68 -21.441 6.040 14.299 1.00 54.31 H new ATOM 0 HD2 PHE A 68 -22.052 2.207 12.546 1.00 33.12 H new ATOM 0 HE1 PHE A 68 -23.871 6.393 14.383 1.00 73.30 H new ATOM 0 HE2 PHE A 68 -24.483 2.556 12.628 1.00 21.23 H new ATOM 0 HZ PHE A 68 -25.398 4.646 13.552 1.00 51.50 H new ATOM 1125 N ALA A 69 -17.070 3.706 14.675 1.00 13.35 N ATOM 1126 CA ALA A 69 -15.790 4.374 14.876 1.00 54.41 C ATOM 1127 C ALA A 69 -14.987 4.421 13.581 1.00 42.23 C ATOM 1128 O ALA A 69 -14.791 3.399 12.924 1.00 43.21 O ATOM 1129 CB ALA A 69 -14.995 3.675 15.968 1.00 61.42 C ATOM 0 H ALA A 69 -16.998 2.762 14.295 1.00 13.35 H new ATOM 0 HA ALA A 69 -15.988 5.400 15.187 1.00 54.41 H new ATOM 0 HB1 ALA A 69 -14.042 4.185 16.107 1.00 61.42 H new ATOM 0 HB2 ALA A 69 -15.559 3.699 16.901 1.00 61.42 H new ATOM 0 HB3 ALA A 69 -14.814 2.639 15.680 1.00 61.42 H new ATOM 1135 N MET A 70 -14.525 5.614 13.219 1.00 20.21 N ATOM 1136 CA MET A 70 -13.742 5.793 12.002 1.00 60.42 C ATOM 1137 C MET A 70 -12.248 5.774 12.309 1.00 61.42 C ATOM 1138 O MET A 70 -11.694 6.751 12.814 1.00 54.13 O ATOM 1139 CB MET A 70 -14.117 7.108 11.317 1.00 12.33 C ATOM 1140 CG MET A 70 -15.613 7.375 11.292 1.00 14.35 C ATOM 1141 SD MET A 70 -16.283 7.425 9.619 1.00 65.21 S ATOM 1142 CE MET A 70 -18.041 7.464 9.958 1.00 22.41 C ATOM 0 H MET A 70 -14.679 6.470 13.751 1.00 20.21 H new ATOM 0 HA MET A 70 -13.967 4.965 11.330 1.00 60.42 H new ATOM 0 HB2 MET A 70 -13.618 7.930 11.830 1.00 12.33 H new ATOM 0 HB3 MET A 70 -13.741 7.095 10.294 1.00 12.33 H new ATOM 0 HG2 MET A 70 -16.126 6.600 11.861 1.00 14.35 H new ATOM 0 HG3 MET A 70 -15.817 8.323 11.789 1.00 14.35 H new ATOM 0 HE1 MET A 70 -18.562 6.817 9.253 1.00 22.41 H new ATOM 0 HE2 MET A 70 -18.223 7.114 10.974 1.00 22.41 H new ATOM 0 HE3 MET A 70 -18.409 8.485 9.854 1.00 22.41 H new ATOM 1152 N THR A 71 -11.599 4.655 12.001 1.00 31.21 N ATOM 1153 CA THR A 71 -10.170 4.508 12.245 1.00 2.34 C ATOM 1154 C THR A 71 -9.376 5.598 11.534 1.00 62.33 C ATOM 1155 O THR A 71 -9.857 6.241 10.601 1.00 11.52 O ATOM 1156 CB THR A 71 -9.659 3.131 11.782 1.00 21.12 C ATOM 1157 OG1 THR A 71 -10.515 2.610 10.759 1.00 21.54 O ATOM 1158 CG2 THR A 71 -9.601 2.155 12.948 1.00 43.31 C ATOM 0 H THR A 71 -12.041 3.837 11.582 1.00 31.21 H new ATOM 0 HA THR A 71 -10.023 4.598 13.321 1.00 2.34 H new ATOM 0 HB THR A 71 -8.652 3.256 11.384 1.00 21.12 H new ATOM 0 HG1 THR A 71 -9.979 2.369 9.975 1.00 21.54 H new ATOM 0 HG21 THR A 71 -9.237 1.189 12.597 1.00 43.31 H new ATOM 0 HG22 THR A 71 -8.926 2.541 13.712 1.00 43.31 H new ATOM 0 HG23 THR A 71 -10.598 2.035 13.372 1.00 43.31 H new ATOM 1166 N PRO A 72 -8.129 5.811 11.981 1.00 34.22 N ATOM 1167 CA PRO A 72 -7.242 6.822 11.400 1.00 64.03 C ATOM 1168 C PRO A 72 -6.779 6.449 9.996 1.00 63.54 C ATOM 1169 O PRO A 72 -6.090 7.223 9.333 1.00 40.44 O ATOM 1170 CB PRO A 72 -6.054 6.849 12.365 1.00 61.50 C ATOM 1171 CG PRO A 72 -6.049 5.500 12.997 1.00 35.43 C ATOM 1172 CD PRO A 72 -7.491 5.080 13.089 1.00 43.50 C ATOM 0 HA PRO A 72 -7.740 7.785 11.289 1.00 64.03 H new ATOM 0 HB2 PRO A 72 -5.120 7.043 11.838 1.00 61.50 H new ATOM 0 HB3 PRO A 72 -6.168 7.635 13.111 1.00 61.50 H new ATOM 0 HG2 PRO A 72 -5.474 4.792 12.401 1.00 35.43 H new ATOM 0 HG3 PRO A 72 -5.589 5.533 13.984 1.00 35.43 H new ATOM 0 HD2 PRO A 72 -7.604 4.002 12.977 1.00 43.50 H new ATOM 0 HD3 PRO A 72 -7.927 5.348 14.051 1.00 43.50 H new ATOM 1180 N MET A 73 -7.162 5.257 9.549 1.00 40.15 N ATOM 1181 CA MET A 73 -6.787 4.782 8.222 1.00 41.44 C ATOM 1182 C MET A 73 -8.007 4.694 7.311 1.00 73.02 C ATOM 1183 O MET A 73 -7.886 4.752 6.087 1.00 61.01 O ATOM 1184 CB MET A 73 -6.108 3.415 8.319 1.00 74.32 C ATOM 1185 CG MET A 73 -4.703 3.473 8.896 1.00 34.02 C ATOM 1186 SD MET A 73 -3.447 2.935 7.721 1.00 64.33 S ATOM 1187 CE MET A 73 -3.635 4.167 6.435 1.00 55.40 C ATOM 0 H MET A 73 -7.731 4.603 10.086 1.00 40.15 H new ATOM 0 HA MET A 73 -6.086 5.498 7.792 1.00 41.44 H new ATOM 0 HB2 MET A 73 -6.719 2.758 8.938 1.00 74.32 H new ATOM 0 HB3 MET A 73 -6.066 2.968 7.326 1.00 74.32 H new ATOM 0 HG2 MET A 73 -4.486 4.493 9.212 1.00 34.02 H new ATOM 0 HG3 MET A 73 -4.654 2.846 9.787 1.00 34.02 H new ATOM 0 HE1 MET A 73 -3.968 3.685 5.516 1.00 55.40 H new ATOM 0 HE2 MET A 73 -4.373 4.907 6.745 1.00 55.40 H new ATOM 0 HE3 MET A 73 -2.679 4.660 6.261 1.00 55.40 H new ATOM 1197 N TYR A 74 -9.182 4.553 7.915 1.00 2.11 N ATOM 1198 CA TYR A 74 -10.424 4.454 7.158 1.00 61.12 C ATOM 1199 C TYR A 74 -10.505 5.549 6.098 1.00 21.43 C ATOM 1200 O TYR A 74 -9.967 6.645 6.259 1.00 75.44 O ATOM 1201 CB TYR A 74 -11.627 4.548 8.097 1.00 33.23 C ATOM 1202 CG TYR A 74 -12.851 5.160 7.454 1.00 32.12 C ATOM 1203 CD1 TYR A 74 -12.855 6.489 7.047 1.00 20.50 C ATOM 1204 CD2 TYR A 74 -14.004 4.410 7.255 1.00 41.55 C ATOM 1205 CE1 TYR A 74 -13.971 7.052 6.460 1.00 50.44 C ATOM 1206 CE2 TYR A 74 -15.124 4.966 6.667 1.00 61.44 C ATOM 1207 CZ TYR A 74 -15.103 6.287 6.271 1.00 23.21 C ATOM 1208 OH TYR A 74 -16.217 6.844 5.686 1.00 21.24 O ATOM 0 H TYR A 74 -9.300 4.505 8.927 1.00 2.11 H new ATOM 0 HA TYR A 74 -10.438 3.486 6.657 1.00 61.12 H new ATOM 0 HB2 TYR A 74 -11.876 3.549 8.455 1.00 33.23 H new ATOM 0 HB3 TYR A 74 -11.351 5.140 8.969 1.00 33.23 H new ATOM 0 HD1 TYR A 74 -11.970 7.091 7.192 1.00 20.50 H new ATOM 0 HD2 TYR A 74 -14.025 3.376 7.565 1.00 41.55 H new ATOM 0 HE1 TYR A 74 -13.957 8.087 6.150 1.00 50.44 H new ATOM 0 HE2 TYR A 74 -16.012 4.369 6.518 1.00 61.44 H new ATOM 0 HH TYR A 74 -17.022 6.400 6.026 1.00 21.24 H new ATOM 1218 N PRO A 75 -11.194 5.246 4.988 1.00 31.01 N ATOM 1219 CA PRO A 75 -11.838 3.944 4.786 1.00 44.51 C ATOM 1220 C PRO A 75 -10.825 2.823 4.581 1.00 31.21 C ATOM 1221 O PRO A 75 -11.174 1.643 4.623 1.00 75.12 O ATOM 1222 CB PRO A 75 -12.669 4.153 3.517 1.00 24.14 C ATOM 1223 CG PRO A 75 -11.976 5.252 2.787 1.00 34.43 C ATOM 1224 CD PRO A 75 -11.398 6.151 3.844 1.00 24.14 C ATOM 0 HA PRO A 75 -12.426 3.641 5.652 1.00 44.51 H new ATOM 0 HB2 PRO A 75 -12.711 3.244 2.917 1.00 24.14 H new ATOM 0 HB3 PRO A 75 -13.697 4.424 3.757 1.00 24.14 H new ATOM 0 HG2 PRO A 75 -11.193 4.857 2.140 1.00 34.43 H new ATOM 0 HG3 PRO A 75 -12.672 5.797 2.149 1.00 34.43 H new ATOM 0 HD2 PRO A 75 -10.462 6.604 3.518 1.00 24.14 H new ATOM 0 HD3 PRO A 75 -12.077 6.967 4.093 1.00 24.14 H new ATOM 1232 N TYR A 76 -9.570 3.198 4.360 1.00 12.03 N ATOM 1233 CA TYR A 76 -8.507 2.223 4.147 1.00 12.11 C ATOM 1234 C TYR A 76 -8.748 0.964 4.975 1.00 54.33 C ATOM 1235 O TYR A 76 -8.649 -0.155 4.470 1.00 41.41 O ATOM 1236 CB TYR A 76 -7.150 2.830 4.506 1.00 40.52 C ATOM 1237 CG TYR A 76 -5.982 2.137 3.842 1.00 42.22 C ATOM 1238 CD1 TYR A 76 -5.871 2.091 2.458 1.00 41.33 C ATOM 1239 CD2 TYR A 76 -4.988 1.529 4.599 1.00 32.31 C ATOM 1240 CE1 TYR A 76 -4.806 1.458 1.847 1.00 3.30 C ATOM 1241 CE2 TYR A 76 -3.919 0.895 3.997 1.00 64.30 C ATOM 1242 CZ TYR A 76 -3.832 0.862 2.621 1.00 71.32 C ATOM 1243 OH TYR A 76 -2.769 0.231 2.016 1.00 3.33 O ATOM 0 H TYR A 76 -9.264 4.170 4.324 1.00 12.03 H new ATOM 0 HA TYR A 76 -8.507 1.948 3.092 1.00 12.11 H new ATOM 0 HB2 TYR A 76 -7.146 3.883 4.223 1.00 40.52 H new ATOM 0 HB3 TYR A 76 -7.018 2.790 5.587 1.00 40.52 H new ATOM 0 HD1 TYR A 76 -6.631 2.558 1.849 1.00 41.33 H new ATOM 0 HD2 TYR A 76 -5.053 1.553 5.677 1.00 32.31 H new ATOM 0 HE1 TYR A 76 -4.736 1.430 0.770 1.00 3.30 H new ATOM 0 HE2 TYR A 76 -3.155 0.427 4.601 1.00 64.30 H new ATOM 0 HH TYR A 76 -2.173 -0.135 2.702 1.00 3.33 H new ATOM 1253 N THR A 77 -9.067 1.155 6.251 1.00 11.33 N ATOM 1254 CA THR A 77 -9.322 0.037 7.151 1.00 55.42 C ATOM 1255 C THR A 77 -10.812 -0.104 7.443 1.00 2.22 C ATOM 1256 O THR A 77 -11.628 0.673 6.948 1.00 64.01 O ATOM 1257 CB THR A 77 -8.563 0.202 8.481 1.00 70.32 C ATOM 1258 OG1 THR A 77 -9.033 1.364 9.173 1.00 43.13 O ATOM 1259 CG2 THR A 77 -7.066 0.320 8.238 1.00 0.10 C ATOM 0 H THR A 77 -9.155 2.074 6.685 1.00 11.33 H new ATOM 0 HA THR A 77 -8.966 -0.862 6.648 1.00 55.42 H new ATOM 0 HB THR A 77 -8.747 -0.682 9.091 1.00 70.32 H new ATOM 0 HG1 THR A 77 -8.401 1.599 9.884 1.00 43.13 H new ATOM 0 HG21 THR A 77 -6.551 0.436 9.191 1.00 0.10 H new ATOM 0 HG22 THR A 77 -6.707 -0.579 7.738 1.00 0.10 H new ATOM 0 HG23 THR A 77 -6.867 1.188 7.610 1.00 0.10 H new ATOM 1267 N ALA A 78 -11.160 -1.100 8.251 1.00 4.15 N ATOM 1268 CA ALA A 78 -12.551 -1.341 8.612 1.00 12.20 C ATOM 1269 C ALA A 78 -12.861 -0.792 10.000 1.00 15.24 C ATOM 1270 O ALA A 78 -12.150 -1.052 10.971 1.00 45.04 O ATOM 1271 CB ALA A 78 -12.863 -2.829 8.549 1.00 42.31 C ATOM 0 H ALA A 78 -10.497 -1.753 8.668 1.00 4.15 H new ATOM 0 HA ALA A 78 -13.182 -0.818 7.894 1.00 12.20 H new ATOM 0 HB1 ALA A 78 -13.905 -2.994 8.821 1.00 42.31 H new ATOM 0 HB2 ALA A 78 -12.690 -3.194 7.537 1.00 42.31 H new ATOM 0 HB3 ALA A 78 -12.217 -3.366 9.244 1.00 42.31 H new ATOM 1277 N PRO A 79 -13.949 -0.013 10.100 1.00 30.13 N ATOM 1278 CA PRO A 79 -14.378 0.589 11.366 1.00 0.11 C ATOM 1279 C PRO A 79 -14.909 -0.447 12.350 1.00 34.33 C ATOM 1280 O PRO A 79 -14.865 -1.648 12.085 1.00 52.04 O ATOM 1281 CB PRO A 79 -15.495 1.547 10.943 1.00 62.41 C ATOM 1282 CG PRO A 79 -16.021 0.977 9.671 1.00 64.31 C ATOM 1283 CD PRO A 79 -14.844 0.339 8.985 1.00 1.22 C ATOM 0 HA PRO A 79 -13.553 1.077 11.885 1.00 0.11 H new ATOM 0 HB2 PRO A 79 -16.275 1.606 11.703 1.00 62.41 H new ATOM 0 HB3 PRO A 79 -15.115 2.558 10.797 1.00 62.41 H new ATOM 0 HG2 PRO A 79 -16.804 0.244 9.866 1.00 64.31 H new ATOM 0 HG3 PRO A 79 -16.462 1.755 9.047 1.00 64.31 H new ATOM 0 HD2 PRO A 79 -15.140 -0.541 8.414 1.00 1.22 H new ATOM 0 HD3 PRO A 79 -14.365 1.026 8.287 1.00 1.22 H new ATOM 1291 N GLU A 80 -15.412 0.025 13.487 1.00 44.32 N ATOM 1292 CA GLU A 80 -15.951 -0.862 14.510 1.00 32.23 C ATOM 1293 C GLU A 80 -17.391 -0.489 14.849 1.00 35.45 C ATOM 1294 O GLU A 80 -17.740 0.690 14.911 1.00 32.05 O ATOM 1295 CB GLU A 80 -15.088 -0.806 15.772 1.00 24.32 C ATOM 1296 CG GLU A 80 -15.860 -1.083 17.051 1.00 11.31 C ATOM 1297 CD GLU A 80 -15.037 -1.834 18.079 1.00 4.22 C ATOM 1298 OE1 GLU A 80 -14.846 -3.056 17.910 1.00 73.13 O ATOM 1299 OE2 GLU A 80 -14.582 -1.198 19.054 1.00 73.23 O ATOM 0 H GLU A 80 -15.457 1.017 13.722 1.00 44.32 H new ATOM 0 HA GLU A 80 -15.940 -1.878 14.116 1.00 32.23 H new ATOM 0 HB2 GLU A 80 -14.280 -1.531 15.681 1.00 24.32 H new ATOM 0 HB3 GLU A 80 -14.626 0.179 15.843 1.00 24.32 H new ATOM 0 HG2 GLU A 80 -16.196 -0.139 17.480 1.00 11.31 H new ATOM 0 HG3 GLU A 80 -16.753 -1.661 16.814 1.00 11.31 H new ATOM 1306 N ILE A 81 -18.223 -1.503 15.067 1.00 0.43 N ATOM 1307 CA ILE A 81 -19.625 -1.282 15.400 1.00 3.25 C ATOM 1308 C ILE A 81 -20.049 -2.140 16.587 1.00 14.24 C ATOM 1309 O ILE A 81 -19.602 -3.276 16.735 1.00 20.52 O ATOM 1310 CB ILE A 81 -20.543 -1.591 14.203 1.00 13.45 C ATOM 1311 CG1 ILE A 81 -19.923 -1.064 12.908 1.00 61.54 C ATOM 1312 CG2 ILE A 81 -21.921 -0.983 14.422 1.00 22.25 C ATOM 1313 CD1 ILE A 81 -19.872 0.445 12.832 1.00 50.45 C ATOM 0 H ILE A 81 -17.950 -2.485 15.019 1.00 0.43 H new ATOM 0 HA ILE A 81 -19.726 -0.229 15.662 1.00 3.25 H new ATOM 0 HB ILE A 81 -20.653 -2.672 14.118 1.00 13.45 H new ATOM 0 HG12 ILE A 81 -18.911 -1.459 12.812 1.00 61.54 H new ATOM 0 HG13 ILE A 81 -20.495 -1.443 12.061 1.00 61.54 H new ATOM 0 HG21 ILE A 81 -22.559 -1.210 13.568 1.00 22.25 H new ATOM 0 HG22 ILE A 81 -22.364 -1.401 15.326 1.00 22.25 H new ATOM 0 HG23 ILE A 81 -21.829 0.098 14.529 1.00 22.25 H new ATOM 0 HD11 ILE A 81 -19.420 0.747 11.887 1.00 50.45 H new ATOM 0 HD12 ILE A 81 -20.883 0.847 12.896 1.00 50.45 H new ATOM 0 HD13 ILE A 81 -19.276 0.831 13.659 1.00 50.45 H new ATOM 1325 N GLU A 82 -20.917 -1.587 17.430 1.00 70.43 N ATOM 1326 CA GLU A 82 -21.403 -2.303 18.603 1.00 21.44 C ATOM 1327 C GLU A 82 -22.826 -1.876 18.951 1.00 40.00 C ATOM 1328 O GLU A 82 -23.189 -0.708 18.805 1.00 25.42 O ATOM 1329 CB GLU A 82 -20.479 -2.057 19.798 1.00 44.24 C ATOM 1330 CG GLU A 82 -20.926 -0.909 20.687 1.00 40.23 C ATOM 1331 CD GLU A 82 -19.887 -0.537 21.726 1.00 4.42 C ATOM 1332 OE1 GLU A 82 -19.340 -1.453 22.374 1.00 62.40 O ATOM 1333 OE2 GLU A 82 -19.620 0.672 21.891 1.00 0.32 O ATOM 0 H GLU A 82 -21.297 -0.647 17.322 1.00 70.43 H new ATOM 0 HA GLU A 82 -21.408 -3.368 18.370 1.00 21.44 H new ATOM 0 HB2 GLU A 82 -20.422 -2.967 20.395 1.00 44.24 H new ATOM 0 HB3 GLU A 82 -19.473 -1.852 19.432 1.00 44.24 H new ATOM 0 HG2 GLU A 82 -21.143 -0.038 20.068 1.00 40.23 H new ATOM 0 HG3 GLU A 82 -21.854 -1.183 21.189 1.00 40.23 H new ATOM 1340 N PHE A 83 -23.628 -2.830 19.411 1.00 74.22 N ATOM 1341 CA PHE A 83 -25.012 -2.554 19.778 1.00 74.10 C ATOM 1342 C PHE A 83 -25.138 -2.305 21.278 1.00 21.32 C ATOM 1343 O PHE A 83 -24.543 -3.015 22.089 1.00 21.32 O ATOM 1344 CB PHE A 83 -25.914 -3.720 19.366 1.00 41.33 C ATOM 1345 CG PHE A 83 -25.592 -4.275 18.008 1.00 72.22 C ATOM 1346 CD1 PHE A 83 -26.043 -3.642 16.861 1.00 1.30 C ATOM 1347 CD2 PHE A 83 -24.839 -5.431 17.878 1.00 34.23 C ATOM 1348 CE1 PHE A 83 -25.748 -4.150 15.610 1.00 73.02 C ATOM 1349 CE2 PHE A 83 -24.541 -5.944 16.630 1.00 54.11 C ATOM 1350 CZ PHE A 83 -24.997 -5.303 15.494 1.00 34.34 C ATOM 0 H PHE A 83 -23.343 -3.801 19.539 1.00 74.22 H new ATOM 0 HA PHE A 83 -25.329 -1.654 19.250 1.00 74.10 H new ATOM 0 HB2 PHE A 83 -25.826 -4.516 20.105 1.00 41.33 H new ATOM 0 HB3 PHE A 83 -26.952 -3.388 19.377 1.00 41.33 H new ATOM 0 HD1 PHE A 83 -26.632 -2.741 16.946 1.00 1.30 H new ATOM 0 HD2 PHE A 83 -24.481 -5.937 18.762 1.00 34.23 H new ATOM 0 HE1 PHE A 83 -26.104 -3.646 14.724 1.00 73.02 H new ATOM 0 HE2 PHE A 83 -23.952 -6.845 16.543 1.00 54.11 H new ATOM 0 HZ PHE A 83 -24.767 -5.703 14.518 1.00 34.34 H new ATOM 1360 N LYS A 84 -25.916 -1.291 21.641 1.00 72.25 N ATOM 1361 CA LYS A 84 -26.122 -0.947 23.042 1.00 0.13 C ATOM 1362 C LYS A 84 -27.607 -0.948 23.391 1.00 70.34 C ATOM 1363 O LYS A 84 -28.461 -1.016 22.508 1.00 61.23 O ATOM 1364 CB LYS A 84 -25.518 0.426 23.346 1.00 65.13 C ATOM 1365 CG LYS A 84 -24.232 0.706 22.586 1.00 32.23 C ATOM 1366 CD LYS A 84 -23.141 -0.286 22.953 1.00 4.52 C ATOM 1367 CE LYS A 84 -23.086 -0.524 24.454 1.00 21.04 C ATOM 1368 NZ LYS A 84 -21.965 -1.429 24.832 1.00 73.33 N ATOM 0 H LYS A 84 -26.415 -0.692 20.983 1.00 72.25 H new ATOM 0 HA LYS A 84 -25.623 -1.700 23.651 1.00 0.13 H new ATOM 0 HB2 LYS A 84 -26.249 1.197 23.103 1.00 65.13 H new ATOM 0 HB3 LYS A 84 -25.321 0.499 24.416 1.00 65.13 H new ATOM 0 HG2 LYS A 84 -24.424 0.658 21.514 1.00 32.23 H new ATOM 0 HG3 LYS A 84 -23.893 1.719 22.804 1.00 32.23 H new ATOM 0 HD2 LYS A 84 -23.320 -1.231 22.440 1.00 4.52 H new ATOM 0 HD3 LYS A 84 -22.177 0.087 22.607 1.00 4.52 H new ATOM 0 HE2 LYS A 84 -22.972 0.430 24.969 1.00 21.04 H new ATOM 0 HE3 LYS A 84 -24.030 -0.956 24.788 1.00 21.04 H new ATOM 0 HZ1 LYS A 84 -21.962 -1.566 25.863 1.00 73.33 H new ATOM 0 HZ2 LYS A 84 -22.087 -2.348 24.361 1.00 73.33 H new ATOM 0 HZ3 LYS A 84 -21.062 -1.006 24.536 1.00 73.33 H new ATOM 1382 N ASN A 85 -27.907 -0.872 24.683 1.00 12.41 N ATOM 1383 CA ASN A 85 -29.290 -0.863 25.147 1.00 23.25 C ATOM 1384 C ASN A 85 -29.984 -2.180 24.814 1.00 64.30 C ATOM 1385 O ASN A 85 -30.244 -2.998 25.696 1.00 25.44 O ATOM 1386 CB ASN A 85 -30.054 0.303 24.517 1.00 31.23 C ATOM 1387 CG ASN A 85 -29.490 1.651 24.923 1.00 63.31 C ATOM 1388 OD1 ASN A 85 -28.179 1.811 24.779 1.00 15.15 O flip ATOM 1389 ND2 ASN A 85 -30.223 2.537 25.360 1.00 74.05 N flip ATOM 0 H ASN A 85 -27.212 -0.816 25.427 1.00 12.41 H new ATOM 0 HA ASN A 85 -29.283 -0.740 26.230 1.00 23.25 H new ATOM 0 HB2 ASN A 85 -30.021 0.211 23.431 1.00 31.23 H new ATOM 0 HB3 ASN A 85 -31.102 0.248 24.810 1.00 31.23 H new ATOM 0 HD21 ASN A 85 -31.225 2.370 25.454 1.00 74.05 H new ATOM 0 HD22 ASN A 85 -29.829 3.439 25.629 1.00 74.05 H new ATOM 1396 N VAL A 86 -30.281 -2.379 23.534 1.00 43.24 N ATOM 1397 CA VAL A 86 -30.943 -3.597 23.082 1.00 3.13 C ATOM 1398 C VAL A 86 -31.917 -4.115 24.134 1.00 22.04 C ATOM 1399 O VAL A 86 -31.543 -4.897 25.008 1.00 2.43 O ATOM 1400 CB VAL A 86 -29.922 -4.703 22.755 1.00 5.42 C ATOM 1401 CG1 VAL A 86 -29.203 -4.397 21.450 1.00 74.14 C ATOM 1402 CG2 VAL A 86 -28.927 -4.863 23.895 1.00 32.12 C ATOM 0 H VAL A 86 -30.073 -1.712 22.791 1.00 43.24 H new ATOM 0 HA VAL A 86 -31.493 -3.341 22.176 1.00 3.13 H new ATOM 0 HB VAL A 86 -30.458 -5.644 22.635 1.00 5.42 H new ATOM 0 HG11 VAL A 86 -28.486 -5.189 21.235 1.00 74.14 H new ATOM 0 HG12 VAL A 86 -29.930 -4.336 20.640 1.00 74.14 H new ATOM 0 HG13 VAL A 86 -28.678 -3.446 21.538 1.00 74.14 H new ATOM 0 HG21 VAL A 86 -28.213 -5.648 23.647 1.00 32.12 H new ATOM 0 HG22 VAL A 86 -28.395 -3.924 24.048 1.00 32.12 H new ATOM 0 HG23 VAL A 86 -29.459 -5.131 24.808 1.00 32.12 H new ATOM 1412 N GLN A 87 -33.167 -3.674 24.043 1.00 34.32 N ATOM 1413 CA GLN A 87 -34.195 -4.094 24.988 1.00 15.02 C ATOM 1414 C GLN A 87 -35.066 -5.195 24.392 1.00 71.21 C ATOM 1415 O GLN A 87 -35.233 -6.259 24.987 1.00 4.33 O ATOM 1416 CB GLN A 87 -35.065 -2.902 25.391 1.00 52.22 C ATOM 1417 CG GLN A 87 -35.003 -1.744 24.408 1.00 51.13 C ATOM 1418 CD GLN A 87 -36.094 -0.718 24.645 1.00 62.14 C ATOM 1419 OE1 GLN A 87 -35.826 0.397 25.092 1.00 14.34 O ATOM 1420 NE2 GLN A 87 -37.333 -1.091 24.344 1.00 5.34 N ATOM 0 H GLN A 87 -33.492 -3.026 23.325 1.00 34.32 H new ATOM 0 HA GLN A 87 -33.698 -4.489 25.874 1.00 15.02 H new ATOM 0 HB2 GLN A 87 -36.099 -3.233 25.485 1.00 52.22 H new ATOM 0 HB3 GLN A 87 -34.752 -2.550 26.374 1.00 52.22 H new ATOM 0 HG2 GLN A 87 -34.030 -1.259 24.485 1.00 51.13 H new ATOM 0 HG3 GLN A 87 -35.087 -2.130 23.392 1.00 51.13 H new ATOM 0 HE21 GLN A 87 -37.509 -2.026 23.976 1.00 5.34 H new ATOM 0 HE22 GLN A 87 -38.108 -0.443 24.481 1.00 5.34 H new ATOM 1429 N ASN A 88 -35.619 -4.932 23.212 1.00 14.15 N ATOM 1430 CA ASN A 88 -36.474 -5.901 22.536 1.00 51.31 C ATOM 1431 C ASN A 88 -35.641 -6.882 21.716 1.00 54.51 C ATOM 1432 O ASN A 88 -36.146 -7.519 20.791 1.00 5.20 O ATOM 1433 CB ASN A 88 -37.476 -5.183 21.629 1.00 1.34 C ATOM 1434 CG ASN A 88 -38.453 -6.140 20.975 1.00 63.34 C ATOM 1435 OD1 ASN A 88 -38.226 -6.437 19.700 1.00 4.34 O flip ATOM 1436 ND2 ASN A 88 -39.400 -6.608 21.607 1.00 2.12 N flip ATOM 0 H ASN A 88 -35.490 -4.057 22.705 1.00 14.15 H new ATOM 0 HA ASN A 88 -37.019 -6.461 23.296 1.00 51.31 H new ATOM 0 HB2 ASN A 88 -38.028 -4.447 22.213 1.00 1.34 H new ATOM 0 HB3 ASN A 88 -36.935 -4.636 20.857 1.00 1.34 H new ATOM 0 HD21 ASN A 88 -39.537 -6.352 22.585 1.00 2.12 H new ATOM 0 HD22 ASN A 88 -40.048 -7.251 21.153 1.00 2.12 H new ATOM 1443 N VAL A 89 -34.363 -6.998 22.062 1.00 53.10 N ATOM 1444 CA VAL A 89 -33.460 -7.902 21.360 1.00 74.02 C ATOM 1445 C VAL A 89 -32.682 -8.772 22.340 1.00 22.01 C ATOM 1446 O VAL A 89 -32.478 -8.395 23.494 1.00 43.24 O ATOM 1447 CB VAL A 89 -32.465 -7.127 20.476 1.00 52.10 C ATOM 1448 CG1 VAL A 89 -31.860 -8.043 19.424 1.00 64.05 C ATOM 1449 CG2 VAL A 89 -33.148 -5.933 19.826 1.00 32.02 C ATOM 0 H VAL A 89 -33.930 -6.477 22.824 1.00 53.10 H new ATOM 0 HA VAL A 89 -34.078 -8.538 20.726 1.00 74.02 H new ATOM 0 HB VAL A 89 -31.658 -6.755 21.107 1.00 52.10 H new ATOM 0 HG11 VAL A 89 -31.160 -7.478 18.809 1.00 64.05 H new ATOM 0 HG12 VAL A 89 -31.334 -8.862 19.914 1.00 64.05 H new ATOM 0 HG13 VAL A 89 -32.652 -8.447 18.794 1.00 64.05 H new ATOM 0 HG21 VAL A 89 -32.430 -5.397 19.205 1.00 32.02 H new ATOM 0 HG22 VAL A 89 -33.976 -6.280 19.207 1.00 32.02 H new ATOM 0 HG23 VAL A 89 -33.528 -5.266 20.600 1.00 32.02 H new ATOM 1459 N MET A 90 -32.249 -9.938 21.873 1.00 63.32 N ATOM 1460 CA MET A 90 -31.490 -10.862 22.708 1.00 13.05 C ATOM 1461 C MET A 90 -30.027 -10.907 22.280 1.00 72.15 C ATOM 1462 O MET A 90 -29.145 -10.436 22.998 1.00 72.30 O ATOM 1463 CB MET A 90 -32.098 -12.264 22.638 1.00 72.14 C ATOM 1464 CG MET A 90 -33.618 -12.270 22.676 1.00 63.44 C ATOM 1465 SD MET A 90 -34.335 -13.495 21.564 1.00 33.41 S ATOM 1466 CE MET A 90 -34.021 -12.735 19.973 1.00 1.43 C ATOM 0 H MET A 90 -32.411 -10.266 20.921 1.00 63.32 H new ATOM 0 HA MET A 90 -31.537 -10.504 23.737 1.00 13.05 H new ATOM 0 HB2 MET A 90 -31.764 -12.751 21.722 1.00 72.14 H new ATOM 0 HB3 MET A 90 -31.720 -12.857 23.470 1.00 72.14 H new ATOM 0 HG2 MET A 90 -33.951 -12.470 23.694 1.00 63.44 H new ATOM 0 HG3 MET A 90 -33.988 -11.281 22.408 1.00 63.44 H new ATOM 0 HE1 MET A 90 -34.666 -13.188 19.220 1.00 1.43 H new ATOM 0 HE2 MET A 90 -34.228 -11.666 20.033 1.00 1.43 H new ATOM 0 HE3 MET A 90 -32.978 -12.888 19.696 1.00 1.43 H new ATOM 1476 N ASP A 91 -29.777 -11.476 21.106 1.00 61.24 N ATOM 1477 CA ASP A 91 -28.420 -11.582 20.581 1.00 53.11 C ATOM 1478 C ASP A 91 -28.433 -12.065 19.134 1.00 55.21 C ATOM 1479 O ASP A 91 -27.585 -11.675 18.331 1.00 34.33 O ATOM 1480 CB ASP A 91 -27.590 -12.535 21.442 1.00 34.12 C ATOM 1481 CG ASP A 91 -27.973 -13.987 21.232 1.00 2.00 C ATOM 1482 OD1 ASP A 91 -29.170 -14.258 20.999 1.00 44.12 O ATOM 1483 OD2 ASP A 91 -27.075 -14.852 21.300 1.00 72.31 O ATOM 0 H ASP A 91 -30.496 -11.871 20.500 1.00 61.24 H new ATOM 0 HA ASP A 91 -27.967 -10.591 20.610 1.00 53.11 H new ATOM 0 HB2 ASP A 91 -26.533 -12.404 21.209 1.00 34.12 H new ATOM 0 HB3 ASP A 91 -27.719 -12.276 22.493 1.00 34.12 H new ATOM 1488 N SER A 92 -29.401 -12.916 18.808 1.00 21.23 N ATOM 1489 CA SER A 92 -29.522 -13.456 17.459 1.00 23.42 C ATOM 1490 C SER A 92 -29.581 -12.334 16.428 1.00 41.23 C ATOM 1491 O SER A 92 -28.896 -12.379 15.406 1.00 20.14 O ATOM 1492 CB SER A 92 -30.771 -14.333 17.348 1.00 64.10 C ATOM 1493 OG SER A 92 -30.521 -15.640 17.835 1.00 33.14 O ATOM 0 H SER A 92 -30.113 -13.246 19.460 1.00 21.23 H new ATOM 0 HA SER A 92 -28.641 -14.065 17.257 1.00 23.42 H new ATOM 0 HB2 SER A 92 -31.588 -13.882 17.912 1.00 64.10 H new ATOM 0 HB3 SER A 92 -31.092 -14.384 16.308 1.00 64.10 H new ATOM 0 HG SER A 92 -31.335 -16.180 17.755 1.00 33.14 H new ATOM 1499 N GLN A 93 -30.405 -11.328 16.704 1.00 62.12 N ATOM 1500 CA GLN A 93 -30.555 -10.194 15.800 1.00 44.22 C ATOM 1501 C GLN A 93 -29.284 -9.350 15.770 1.00 74.21 C ATOM 1502 O GLN A 93 -28.880 -8.856 14.717 1.00 44.51 O ATOM 1503 CB GLN A 93 -31.744 -9.331 16.223 1.00 14.23 C ATOM 1504 CG GLN A 93 -33.091 -9.918 15.833 1.00 12.31 C ATOM 1505 CD GLN A 93 -33.571 -10.976 16.806 1.00 24.45 C ATOM 1506 OE1 GLN A 93 -32.909 -11.995 17.009 1.00 74.32 O ATOM 1507 NE2 GLN A 93 -34.727 -10.741 17.416 1.00 5.41 N ATOM 0 H GLN A 93 -30.978 -11.275 17.546 1.00 62.12 H new ATOM 0 HA GLN A 93 -30.736 -10.582 14.798 1.00 44.22 H new ATOM 0 HB2 GLN A 93 -31.716 -9.194 17.304 1.00 14.23 H new ATOM 0 HB3 GLN A 93 -31.644 -8.343 15.773 1.00 14.23 H new ATOM 0 HG2 GLN A 93 -33.829 -9.118 15.779 1.00 12.31 H new ATOM 0 HG3 GLN A 93 -33.018 -10.353 14.836 1.00 12.31 H new ATOM 0 HE21 GLN A 93 -35.243 -9.884 17.218 1.00 5.41 H new ATOM 0 HE22 GLN A 93 -35.099 -11.418 18.082 1.00 5.41 H new ATOM 1516 N LEU A 94 -28.660 -9.189 16.931 1.00 24.31 N ATOM 1517 CA LEU A 94 -27.434 -8.405 17.039 1.00 55.45 C ATOM 1518 C LEU A 94 -26.349 -8.961 16.122 1.00 34.23 C ATOM 1519 O LEU A 94 -25.722 -8.220 15.367 1.00 40.52 O ATOM 1520 CB LEU A 94 -26.939 -8.392 18.486 1.00 41.23 C ATOM 1521 CG LEU A 94 -27.390 -7.206 19.339 1.00 43.20 C ATOM 1522 CD1 LEU A 94 -28.908 -7.117 19.371 1.00 64.34 C ATOM 1523 CD2 LEU A 94 -26.831 -7.321 20.750 1.00 41.23 C ATOM 0 H LEU A 94 -28.982 -9.591 17.811 1.00 24.31 H new ATOM 0 HA LEU A 94 -27.657 -7.384 16.729 1.00 55.45 H new ATOM 0 HB2 LEU A 94 -27.271 -9.310 18.971 1.00 41.23 H new ATOM 0 HB3 LEU A 94 -25.849 -8.413 18.476 1.00 41.23 H new ATOM 0 HG LEU A 94 -27.003 -6.292 18.889 1.00 43.20 H new ATOM 0 HD11 LEU A 94 -29.210 -6.267 19.983 1.00 64.34 H new ATOM 0 HD12 LEU A 94 -29.286 -6.987 18.357 1.00 64.34 H new ATOM 0 HD13 LEU A 94 -29.317 -8.033 19.796 1.00 64.34 H new ATOM 0 HD21 LEU A 94 -27.162 -6.469 21.343 1.00 41.23 H new ATOM 0 HD22 LEU A 94 -27.188 -8.243 21.209 1.00 41.23 H new ATOM 0 HD23 LEU A 94 -25.742 -7.334 20.710 1.00 41.23 H new ATOM 1535 N GLN A 95 -26.136 -10.271 16.194 1.00 20.01 N ATOM 1536 CA GLN A 95 -25.128 -10.927 15.370 1.00 43.53 C ATOM 1537 C GLN A 95 -25.504 -10.859 13.893 1.00 3.22 C ATOM 1538 O GLN A 95 -24.642 -10.695 13.030 1.00 23.23 O ATOM 1539 CB GLN A 95 -24.957 -12.385 15.798 1.00 14.04 C ATOM 1540 CG GLN A 95 -24.605 -12.550 17.268 1.00 50.01 C ATOM 1541 CD GLN A 95 -24.522 -14.004 17.688 1.00 20.14 C ATOM 1542 OE1 GLN A 95 -24.455 -14.902 16.849 1.00 61.32 O ATOM 1543 NE2 GLN A 95 -24.526 -14.244 18.994 1.00 22.15 N ATOM 0 H GLN A 95 -26.648 -10.899 16.814 1.00 20.01 H new ATOM 0 HA GLN A 95 -24.183 -10.402 15.511 1.00 43.53 H new ATOM 0 HB2 GLN A 95 -25.880 -12.926 15.591 1.00 14.04 H new ATOM 0 HB3 GLN A 95 -24.176 -12.844 15.192 1.00 14.04 H new ATOM 0 HG2 GLN A 95 -23.650 -12.063 17.466 1.00 50.01 H new ATOM 0 HG3 GLN A 95 -25.353 -12.042 17.876 1.00 50.01 H new ATOM 0 HE21 GLN A 95 -24.583 -13.469 19.655 1.00 22.15 H new ATOM 0 HE22 GLN A 95 -24.472 -15.203 19.336 1.00 22.15 H new ATOM 1552 N MET A 96 -26.796 -10.986 13.610 1.00 20.13 N ATOM 1553 CA MET A 96 -27.286 -10.938 12.237 1.00 23.45 C ATOM 1554 C MET A 96 -26.938 -9.606 11.582 1.00 4.42 C ATOM 1555 O MET A 96 -26.545 -9.560 10.416 1.00 50.35 O ATOM 1556 CB MET A 96 -28.800 -11.156 12.206 1.00 43.34 C ATOM 1557 CG MET A 96 -29.441 -10.773 10.882 1.00 42.04 C ATOM 1558 SD MET A 96 -31.241 -10.735 10.967 1.00 15.11 S ATOM 1559 CE MET A 96 -31.516 -9.079 11.593 1.00 62.24 C ATOM 0 H MET A 96 -27.523 -11.123 14.313 1.00 20.13 H new ATOM 0 HA MET A 96 -26.800 -11.736 11.676 1.00 23.45 H new ATOM 0 HB2 MET A 96 -29.012 -12.205 12.413 1.00 43.34 H new ATOM 0 HB3 MET A 96 -29.259 -10.574 13.005 1.00 43.34 H new ATOM 0 HG2 MET A 96 -29.075 -9.793 10.576 1.00 42.04 H new ATOM 0 HG3 MET A 96 -29.132 -11.483 10.115 1.00 42.04 H new ATOM 0 HE1 MET A 96 -32.562 -8.806 11.452 1.00 62.24 H new ATOM 0 HE2 MET A 96 -31.273 -9.046 12.655 1.00 62.24 H new ATOM 0 HE3 MET A 96 -30.881 -8.376 11.054 1.00 62.24 H new ATOM 1569 N LEU A 97 -27.084 -8.524 12.339 1.00 51.54 N ATOM 1570 CA LEU A 97 -26.785 -7.189 11.831 1.00 53.10 C ATOM 1571 C LEU A 97 -25.316 -7.071 11.440 1.00 24.51 C ATOM 1572 O LEU A 97 -24.984 -6.538 10.381 1.00 31.01 O ATOM 1573 CB LEU A 97 -27.131 -6.133 12.882 1.00 53.30 C ATOM 1574 CG LEU A 97 -28.618 -5.953 13.189 1.00 75.13 C ATOM 1575 CD1 LEU A 97 -28.815 -4.926 14.293 1.00 55.02 C ATOM 1576 CD2 LEU A 97 -29.376 -5.542 11.934 1.00 21.44 C ATOM 0 H LEU A 97 -27.407 -8.545 13.306 1.00 51.54 H new ATOM 0 HA LEU A 97 -27.393 -7.021 10.942 1.00 53.10 H new ATOM 0 HB2 LEU A 97 -26.618 -6.390 13.809 1.00 53.30 H new ATOM 0 HB3 LEU A 97 -26.730 -5.175 12.551 1.00 53.30 H new ATOM 0 HG LEU A 97 -29.016 -6.907 13.534 1.00 75.13 H new ATOM 0 HD11 LEU A 97 -29.879 -4.811 14.498 1.00 55.02 H new ATOM 0 HD12 LEU A 97 -28.306 -5.261 15.197 1.00 55.02 H new ATOM 0 HD13 LEU A 97 -28.401 -3.968 13.977 1.00 55.02 H new ATOM 0 HD21 LEU A 97 -30.433 -5.418 12.171 1.00 21.44 H new ATOM 0 HD22 LEU A 97 -28.976 -4.600 11.559 1.00 21.44 H new ATOM 0 HD23 LEU A 97 -29.263 -6.313 11.172 1.00 21.44 H new ATOM 1588 N LYS A 98 -24.438 -7.575 12.301 1.00 63.20 N ATOM 1589 CA LYS A 98 -23.003 -7.531 12.046 1.00 41.35 C ATOM 1590 C LYS A 98 -22.660 -8.244 10.741 1.00 11.34 C ATOM 1591 O LYS A 98 -21.751 -7.834 10.020 1.00 61.35 O ATOM 1592 CB LYS A 98 -22.237 -8.171 13.206 1.00 74.03 C ATOM 1593 CG LYS A 98 -22.554 -7.554 14.557 1.00 24.11 C ATOM 1594 CD LYS A 98 -21.923 -6.179 14.704 1.00 74.24 C ATOM 1595 CE LYS A 98 -21.140 -6.061 16.002 1.00 41.31 C ATOM 1596 NZ LYS A 98 -19.697 -6.377 15.810 1.00 35.32 N ATOM 0 H LYS A 98 -24.696 -8.019 13.182 1.00 63.20 H new ATOM 0 HA LYS A 98 -22.707 -6.486 11.957 1.00 41.35 H new ATOM 0 HB2 LYS A 98 -22.467 -9.236 13.239 1.00 74.03 H new ATOM 0 HB3 LYS A 98 -21.167 -8.082 13.017 1.00 74.03 H new ATOM 0 HG2 LYS A 98 -23.634 -7.474 14.677 1.00 24.11 H new ATOM 0 HG3 LYS A 98 -22.192 -8.208 15.351 1.00 24.11 H new ATOM 0 HD2 LYS A 98 -21.260 -5.990 13.860 1.00 74.24 H new ATOM 0 HD3 LYS A 98 -22.701 -5.416 14.676 1.00 74.24 H new ATOM 0 HE2 LYS A 98 -21.241 -5.050 16.396 1.00 41.31 H new ATOM 0 HE3 LYS A 98 -21.564 -6.737 16.745 1.00 41.31 H new ATOM 0 HZ1 LYS A 98 -19.198 -6.285 16.718 1.00 35.32 H new ATOM 0 HZ2 LYS A 98 -19.599 -7.351 15.458 1.00 35.32 H new ATOM 0 HZ3 LYS A 98 -19.286 -5.716 15.120 1.00 35.32 H new ATOM 1610 N SER A 99 -23.395 -9.311 10.445 1.00 25.30 N ATOM 1611 CA SER A 99 -23.166 -10.082 9.229 1.00 73.44 C ATOM 1612 C SER A 99 -23.442 -9.236 7.989 1.00 31.33 C ATOM 1613 O SER A 99 -22.688 -9.276 7.018 1.00 4.52 O ATOM 1614 CB SER A 99 -24.052 -11.329 9.216 1.00 35.43 C ATOM 1615 OG SER A 99 -23.273 -12.510 9.295 1.00 23.03 O ATOM 0 H SER A 99 -24.154 -9.661 11.030 1.00 25.30 H new ATOM 0 HA SER A 99 -22.120 -10.388 9.214 1.00 73.44 H new ATOM 0 HB2 SER A 99 -24.749 -11.293 10.054 1.00 35.43 H new ATOM 0 HB3 SER A 99 -24.650 -11.344 8.305 1.00 35.43 H new ATOM 0 HG SER A 99 -23.863 -13.292 9.287 1.00 23.03 H new ATOM 1621 N GLU A 100 -24.529 -8.472 8.032 1.00 72.30 N ATOM 1622 CA GLU A 100 -24.906 -7.617 6.912 1.00 25.33 C ATOM 1623 C GLU A 100 -23.946 -6.438 6.782 1.00 11.20 C ATOM 1624 O GLU A 100 -23.790 -5.866 5.703 1.00 73.22 O ATOM 1625 CB GLU A 100 -26.337 -7.107 7.090 1.00 31.20 C ATOM 1626 CG GLU A 100 -27.394 -8.182 6.901 1.00 32.23 C ATOM 1627 CD GLU A 100 -27.272 -8.893 5.567 1.00 24.05 C ATOM 1628 OE1 GLU A 100 -27.296 -8.205 4.525 1.00 24.41 O ATOM 1629 OE2 GLU A 100 -27.152 -10.136 5.566 1.00 50.13 O ATOM 0 H GLU A 100 -25.164 -8.427 8.829 1.00 72.30 H new ATOM 0 HA GLU A 100 -24.851 -8.211 6.000 1.00 25.33 H new ATOM 0 HB2 GLU A 100 -26.440 -6.679 8.087 1.00 31.20 H new ATOM 0 HB3 GLU A 100 -26.518 -6.302 6.378 1.00 31.20 H new ATOM 0 HG2 GLU A 100 -27.312 -8.912 7.706 1.00 32.23 H new ATOM 0 HG3 GLU A 100 -28.383 -7.731 6.979 1.00 32.23 H new ATOM 1636 N PHE A 101 -23.306 -6.079 7.890 1.00 44.44 N ATOM 1637 CA PHE A 101 -22.362 -4.966 7.901 1.00 75.52 C ATOM 1638 C PHE A 101 -21.217 -5.215 6.924 1.00 23.23 C ATOM 1639 O PHE A 101 -20.745 -4.296 6.255 1.00 5.44 O ATOM 1640 CB PHE A 101 -21.808 -4.754 9.311 1.00 35.02 C ATOM 1641 CG PHE A 101 -22.848 -4.319 10.304 1.00 1.52 C ATOM 1642 CD1 PHE A 101 -24.166 -4.141 9.915 1.00 64.02 C ATOM 1643 CD2 PHE A 101 -22.507 -4.086 11.627 1.00 61.21 C ATOM 1644 CE1 PHE A 101 -25.125 -3.741 10.826 1.00 3.32 C ATOM 1645 CE2 PHE A 101 -23.462 -3.686 12.543 1.00 64.23 C ATOM 1646 CZ PHE A 101 -24.772 -3.512 12.142 1.00 62.03 C ATOM 0 H PHE A 101 -23.423 -6.542 8.791 1.00 44.44 H new ATOM 0 HA PHE A 101 -22.894 -4.067 7.588 1.00 75.52 H new ATOM 0 HB2 PHE A 101 -21.352 -5.682 9.657 1.00 35.02 H new ATOM 0 HB3 PHE A 101 -21.017 -4.005 9.273 1.00 35.02 H new ATOM 0 HD1 PHE A 101 -24.447 -4.317 8.887 1.00 64.02 H new ATOM 0 HD2 PHE A 101 -21.484 -4.218 11.946 1.00 61.21 H new ATOM 0 HE1 PHE A 101 -26.149 -3.608 10.510 1.00 3.32 H new ATOM 0 HE2 PHE A 101 -23.184 -3.510 13.572 1.00 64.23 H new ATOM 0 HZ PHE A 101 -25.519 -3.198 12.856 1.00 62.03 H new ATOM 1656 N LYS A 102 -20.773 -6.465 6.848 1.00 32.40 N ATOM 1657 CA LYS A 102 -19.683 -6.838 5.954 1.00 75.02 C ATOM 1658 C LYS A 102 -20.046 -6.543 4.502 1.00 72.42 C ATOM 1659 O LYS A 102 -19.235 -6.011 3.744 1.00 62.10 O ATOM 1660 CB LYS A 102 -19.348 -8.322 6.116 1.00 74.42 C ATOM 1661 CG LYS A 102 -18.057 -8.733 5.430 1.00 41.24 C ATOM 1662 CD LYS A 102 -16.920 -8.887 6.426 1.00 14.53 C ATOM 1663 CE LYS A 102 -16.285 -7.545 6.759 1.00 72.13 C ATOM 1664 NZ LYS A 102 -14.873 -7.469 6.293 1.00 61.44 N ATOM 0 H LYS A 102 -21.152 -7.238 7.395 1.00 32.40 H new ATOM 0 HA LYS A 102 -18.809 -6.244 6.220 1.00 75.02 H new ATOM 0 HB2 LYS A 102 -19.275 -8.555 7.178 1.00 74.42 H new ATOM 0 HB3 LYS A 102 -20.168 -8.917 5.714 1.00 74.42 H new ATOM 0 HG2 LYS A 102 -18.209 -9.674 4.901 1.00 41.24 H new ATOM 0 HG3 LYS A 102 -17.788 -7.987 4.682 1.00 41.24 H new ATOM 0 HD2 LYS A 102 -17.295 -9.350 7.339 1.00 14.53 H new ATOM 0 HD3 LYS A 102 -16.164 -9.557 6.016 1.00 14.53 H new ATOM 0 HE2 LYS A 102 -16.863 -6.745 6.297 1.00 72.13 H new ATOM 0 HE3 LYS A 102 -16.321 -7.383 7.836 1.00 72.13 H new ATOM 0 HZ1 LYS A 102 -14.476 -6.540 6.539 1.00 61.44 H new ATOM 0 HZ2 LYS A 102 -14.315 -8.216 6.753 1.00 61.44 H new ATOM 0 HZ3 LYS A 102 -14.840 -7.598 5.262 1.00 61.44 H new ATOM 1678 N LYS A 103 -21.270 -6.891 4.120 1.00 34.43 N ATOM 1679 CA LYS A 103 -21.743 -6.662 2.760 1.00 65.11 C ATOM 1680 C LYS A 103 -21.883 -5.170 2.477 1.00 2.20 C ATOM 1681 O LYS A 103 -21.501 -4.693 1.408 1.00 50.11 O ATOM 1682 CB LYS A 103 -23.085 -7.362 2.539 1.00 33.23 C ATOM 1683 CG LYS A 103 -22.951 -8.805 2.083 1.00 54.44 C ATOM 1684 CD LYS A 103 -23.183 -9.776 3.228 1.00 73.02 C ATOM 1685 CE LYS A 103 -24.666 -10.023 3.458 1.00 54.24 C ATOM 1686 NZ LYS A 103 -24.971 -11.473 3.608 1.00 4.34 N ATOM 0 H LYS A 103 -21.953 -7.333 4.734 1.00 34.43 H new ATOM 0 HA LYS A 103 -21.007 -7.077 2.072 1.00 65.11 H new ATOM 0 HB2 LYS A 103 -23.657 -7.335 3.467 1.00 33.23 H new ATOM 0 HB3 LYS A 103 -23.657 -6.807 1.796 1.00 33.23 H new ATOM 0 HG2 LYS A 103 -23.667 -9.003 1.286 1.00 54.44 H new ATOM 0 HG3 LYS A 103 -21.957 -8.965 1.665 1.00 54.44 H new ATOM 0 HD2 LYS A 103 -22.685 -10.721 3.011 1.00 73.02 H new ATOM 0 HD3 LYS A 103 -22.734 -9.380 4.139 1.00 73.02 H new ATOM 0 HE2 LYS A 103 -24.988 -9.490 4.352 1.00 54.24 H new ATOM 0 HE3 LYS A 103 -25.236 -9.617 2.622 1.00 54.24 H new ATOM 0 HZ1 LYS A 103 -25.992 -11.599 3.763 1.00 4.34 H new ATOM 0 HZ2 LYS A 103 -24.687 -11.979 2.745 1.00 4.34 H new ATOM 0 HZ3 LYS A 103 -24.448 -11.856 4.421 1.00 4.34 H new ATOM 1700 N ILE A 104 -22.431 -4.438 3.441 1.00 22.45 N ATOM 1701 CA ILE A 104 -22.618 -3.000 3.296 1.00 33.20 C ATOM 1702 C ILE A 104 -21.282 -2.286 3.123 1.00 60.42 C ATOM 1703 O ILE A 104 -21.122 -1.453 2.230 1.00 21.31 O ATOM 1704 CB ILE A 104 -23.353 -2.403 4.510 1.00 12.44 C ATOM 1705 CG1 ILE A 104 -24.846 -2.732 4.443 1.00 1.33 C ATOM 1706 CG2 ILE A 104 -23.139 -0.898 4.571 1.00 52.41 C ATOM 1707 CD1 ILE A 104 -25.400 -3.291 5.735 1.00 11.51 C ATOM 0 H ILE A 104 -22.753 -4.817 4.331 1.00 22.45 H new ATOM 0 HA ILE A 104 -23.225 -2.849 2.404 1.00 33.20 H new ATOM 0 HB ILE A 104 -22.943 -2.846 5.418 1.00 12.44 H new ATOM 0 HG12 ILE A 104 -25.397 -1.829 4.181 1.00 1.33 H new ATOM 0 HG13 ILE A 104 -25.016 -3.452 3.643 1.00 1.33 H new ATOM 0 HG21 ILE A 104 -23.665 -0.490 5.434 1.00 52.41 H new ATOM 0 HG22 ILE A 104 -22.074 -0.685 4.661 1.00 52.41 H new ATOM 0 HG23 ILE A 104 -23.525 -0.438 3.661 1.00 52.41 H new ATOM 0 HD11 ILE A 104 -26.463 -3.501 5.614 1.00 11.51 H new ATOM 0 HD12 ILE A 104 -24.875 -4.212 5.988 1.00 11.51 H new ATOM 0 HD13 ILE A 104 -25.262 -2.563 6.535 1.00 11.51 H new ATOM 1719 N HIS A 105 -20.324 -2.620 3.982 1.00 44.54 N ATOM 1720 CA HIS A 105 -18.999 -2.012 3.922 1.00 1.02 C ATOM 1721 C HIS A 105 -18.306 -2.347 2.605 1.00 61.21 C ATOM 1722 O HIS A 105 -17.659 -1.495 1.999 1.00 43.33 O ATOM 1723 CB HIS A 105 -18.144 -2.487 5.097 1.00 24.22 C ATOM 1724 CG HIS A 105 -16.842 -1.757 5.225 1.00 53.32 C ATOM 1725 ND1 HIS A 105 -15.774 -1.970 4.380 1.00 44.11 N ATOM 1726 CD2 HIS A 105 -16.441 -0.810 6.105 1.00 53.44 C ATOM 1727 CE1 HIS A 105 -14.771 -1.187 4.736 1.00 41.24 C ATOM 1728 NE2 HIS A 105 -15.151 -0.472 5.780 1.00 65.15 N ATOM 0 H HIS A 105 -20.440 -3.307 4.727 1.00 44.54 H new ATOM 0 HA HIS A 105 -19.119 -0.930 3.983 1.00 1.02 H new ATOM 0 HB2 HIS A 105 -18.711 -2.366 6.020 1.00 24.22 H new ATOM 0 HB3 HIS A 105 -17.944 -3.552 4.983 1.00 24.22 H new ATOM 0 HD2 HIS A 105 -17.027 -0.397 6.913 1.00 53.44 H new ATOM 0 HE1 HIS A 105 -13.805 -1.140 4.255 1.00 41.24 H new ATOM 0 HE2 HIS A 105 -14.579 0.219 6.266 1.00 65.15 H new ATOM 1736 N ASN A 106 -18.446 -3.595 2.169 1.00 52.12 N ATOM 1737 CA ASN A 106 -17.832 -4.043 0.924 1.00 34.01 C ATOM 1738 C ASN A 106 -18.286 -3.178 -0.248 1.00 61.22 C ATOM 1739 O ASN A 106 -17.492 -2.834 -1.124 1.00 40.24 O ATOM 1740 CB ASN A 106 -18.183 -5.508 0.657 1.00 62.21 C ATOM 1741 CG ASN A 106 -16.980 -6.423 0.786 1.00 51.05 C ATOM 1742 OD1 ASN A 106 -16.111 -6.451 -0.086 1.00 52.41 O ATOM 1743 ND2 ASN A 106 -16.925 -7.178 1.877 1.00 52.23 N ATOM 0 H ASN A 106 -18.979 -4.314 2.659 1.00 52.12 H new ATOM 0 HA ASN A 106 -16.751 -3.948 1.026 1.00 34.01 H new ATOM 0 HB2 ASN A 106 -18.956 -5.827 1.357 1.00 62.21 H new ATOM 0 HB3 ASN A 106 -18.602 -5.602 -0.345 1.00 62.21 H new ATOM 0 HD21 ASN A 106 -16.140 -7.814 2.018 1.00 52.23 H new ATOM 0 HD22 ASN A 106 -17.668 -7.122 2.574 1.00 52.23 H new ATOM 1750 N THR A 107 -19.569 -2.829 -0.258 1.00 23.31 N ATOM 1751 CA THR A 107 -20.129 -2.005 -1.322 1.00 22.53 C ATOM 1752 C THR A 107 -19.837 -0.528 -1.084 1.00 72.23 C ATOM 1753 O THR A 107 -19.777 0.262 -2.027 1.00 23.44 O ATOM 1754 CB THR A 107 -21.652 -2.203 -1.443 1.00 65.50 C ATOM 1755 OG1 THR A 107 -22.183 -1.318 -2.435 1.00 31.11 O ATOM 1756 CG2 THR A 107 -22.338 -1.950 -0.109 1.00 71.14 C ATOM 0 H THR A 107 -20.240 -3.104 0.459 1.00 23.31 H new ATOM 0 HA THR A 107 -19.654 -2.321 -2.251 1.00 22.53 H new ATOM 0 HB THR A 107 -21.840 -3.235 -1.740 1.00 65.50 H new ATOM 0 HG1 THR A 107 -23.151 -1.451 -2.507 1.00 31.11 H new ATOM 0 HG21 THR A 107 -23.413 -2.096 -0.219 1.00 71.14 H new ATOM 0 HG22 THR A 107 -21.952 -2.645 0.636 1.00 71.14 H new ATOM 0 HG23 THR A 107 -22.142 -0.927 0.213 1.00 71.14 H new ATOM 1764 N SER A 108 -19.656 -0.161 0.180 1.00 35.13 N ATOM 1765 CA SER A 108 -19.374 1.223 0.542 1.00 40.14 C ATOM 1766 C SER A 108 -17.946 1.369 1.058 1.00 1.13 C ATOM 1767 O SER A 108 -17.648 2.267 1.846 1.00 42.44 O ATOM 1768 CB SER A 108 -20.364 1.708 1.602 1.00 32.23 C ATOM 1769 OG SER A 108 -20.386 0.833 2.717 1.00 1.42 O ATOM 0 H SER A 108 -19.700 -0.803 0.971 1.00 35.13 H new ATOM 0 HA SER A 108 -19.483 1.836 -0.353 1.00 40.14 H new ATOM 0 HB2 SER A 108 -20.090 2.711 1.928 1.00 32.23 H new ATOM 0 HB3 SER A 108 -21.362 1.775 1.169 1.00 32.23 H new ATOM 0 HG SER A 108 -21.067 0.142 2.577 1.00 1.42 H new ATOM 1775 N ARG A 109 -17.067 0.479 0.609 1.00 10.11 N ATOM 1776 CA ARG A 109 -15.670 0.507 1.026 1.00 33.02 C ATOM 1777 C ARG A 109 -14.960 1.735 0.465 1.00 63.03 C ATOM 1778 O ARG A 109 -14.197 1.638 -0.496 1.00 0.42 O ATOM 1779 CB ARG A 109 -14.954 -0.764 0.568 1.00 65.42 C ATOM 1780 CG ARG A 109 -13.488 -0.815 0.967 1.00 1.13 C ATOM 1781 CD ARG A 109 -12.831 -2.108 0.511 1.00 24.35 C ATOM 1782 NE ARG A 109 -11.464 -1.892 0.043 1.00 74.24 N ATOM 1783 CZ ARG A 109 -11.163 -1.519 -1.196 1.00 0.30 C ATOM 1784 NH1 ARG A 109 -12.126 -1.320 -2.085 1.00 73.31 N ATOM 1785 NH2 ARG A 109 -9.896 -1.342 -1.547 1.00 64.31 N ATOM 0 H ARG A 109 -17.297 -0.270 -0.044 1.00 10.11 H new ATOM 0 HA ARG A 109 -15.642 0.559 2.114 1.00 33.02 H new ATOM 0 HB2 ARG A 109 -15.466 -1.630 0.987 1.00 65.42 H new ATOM 0 HB3 ARG A 109 -15.030 -0.843 -0.517 1.00 65.42 H new ATOM 0 HG2 ARG A 109 -12.962 0.035 0.532 1.00 1.13 H new ATOM 0 HG3 ARG A 109 -13.401 -0.724 2.050 1.00 1.13 H new ATOM 0 HD2 ARG A 109 -12.824 -2.821 1.335 1.00 24.35 H new ATOM 0 HD3 ARG A 109 -13.422 -2.552 -0.290 1.00 24.35 H new ATOM 0 HE ARG A 109 -10.700 -2.035 0.703 1.00 74.24 H new ATOM 0 HH11 ARG A 109 -13.102 -1.453 -1.819 1.00 73.31 H new ATOM 0 HH12 ARG A 109 -11.891 -1.034 -3.035 1.00 73.31 H new ATOM 0 HH21 ARG A 109 -9.152 -1.492 -0.865 1.00 64.31 H new ATOM 0 HH22 ARG A 109 -9.666 -1.056 -2.498 1.00 64.31 H new ATOM 1799 N GLY A 110 -15.216 2.890 1.071 1.00 15.21 N ATOM 1800 CA GLY A 110 -14.594 4.120 0.618 1.00 55.44 C ATOM 1801 C GLY A 110 -15.510 5.320 0.760 1.00 32.12 C ATOM 1802 O GLY A 110 -15.049 6.461 0.781 1.00 33.30 O ATOM 0 H GLY A 110 -15.844 2.996 1.868 1.00 15.21 H new ATOM 0 HA2 GLY A 110 -13.682 4.294 1.189 1.00 55.44 H new ATOM 0 HA3 GLY A 110 -14.301 4.012 -0.426 1.00 55.44 H new ATOM 1806 N GLN A 111 -16.810 5.062 0.857 1.00 74.42 N ATOM 1807 CA GLN A 111 -17.793 6.130 0.995 1.00 3.24 C ATOM 1808 C GLN A 111 -18.485 6.061 2.353 1.00 64.12 C ATOM 1809 O GLN A 111 -18.072 5.305 3.232 1.00 50.03 O ATOM 1810 CB GLN A 111 -18.831 6.046 -0.125 1.00 32.55 C ATOM 1811 CG GLN A 111 -19.624 4.749 -0.122 1.00 34.32 C ATOM 1812 CD GLN A 111 -20.119 4.364 -1.502 1.00 65.04 C ATOM 1813 OE1 GLN A 111 -19.655 4.897 -2.511 1.00 62.41 O ATOM 1814 NE2 GLN A 111 -21.065 3.434 -1.555 1.00 21.01 N ATOM 0 H GLN A 111 -17.207 4.123 0.843 1.00 74.42 H new ATOM 0 HA GLN A 111 -17.269 7.083 0.923 1.00 3.24 H new ATOM 0 HB2 GLN A 111 -19.521 6.885 -0.033 1.00 32.55 H new ATOM 0 HB3 GLN A 111 -18.327 6.152 -1.085 1.00 32.55 H new ATOM 0 HG2 GLN A 111 -19.000 3.947 0.273 1.00 34.32 H new ATOM 0 HG3 GLN A 111 -20.476 4.850 0.550 1.00 34.32 H new ATOM 0 HE21 GLN A 111 -21.421 3.019 -0.694 1.00 21.01 H new ATOM 0 HE22 GLN A 111 -21.436 3.135 -2.457 1.00 21.01 H new ATOM 1823 N GLU A 112 -19.538 6.855 2.516 1.00 72.02 N ATOM 1824 CA GLU A 112 -20.286 6.884 3.767 1.00 20.43 C ATOM 1825 C GLU A 112 -20.914 5.523 4.057 1.00 2.33 C ATOM 1826 O GLU A 112 -21.590 4.946 3.205 1.00 23.22 O ATOM 1827 CB GLU A 112 -21.374 7.958 3.713 1.00 43.41 C ATOM 1828 CG GLU A 112 -20.858 9.326 3.298 1.00 3.14 C ATOM 1829 CD GLU A 112 -21.976 10.314 3.027 1.00 22.22 C ATOM 1830 OE1 GLU A 112 -22.885 10.429 3.875 1.00 75.42 O ATOM 1831 OE2 GLU A 112 -21.940 10.972 1.967 1.00 55.35 O ATOM 0 H GLU A 112 -19.892 7.487 1.798 1.00 72.02 H new ATOM 0 HA GLU A 112 -19.590 7.123 4.571 1.00 20.43 H new ATOM 0 HB2 GLU A 112 -22.149 7.644 3.014 1.00 43.41 H new ATOM 0 HB3 GLU A 112 -21.843 8.038 4.694 1.00 43.41 H new ATOM 0 HG2 GLU A 112 -20.212 9.720 4.083 1.00 3.14 H new ATOM 0 HG3 GLU A 112 -20.245 9.223 2.403 1.00 3.14 H new ATOM 1838 N ILE A 113 -20.685 5.018 5.265 1.00 63.25 N ATOM 1839 CA ILE A 113 -21.228 3.726 5.667 1.00 3.41 C ATOM 1840 C ILE A 113 -22.126 3.865 6.892 1.00 42.44 C ATOM 1841 O ILE A 113 -22.891 2.958 7.218 1.00 33.15 O ATOM 1842 CB ILE A 113 -20.107 2.717 5.978 1.00 32.31 C ATOM 1843 CG1 ILE A 113 -19.349 3.135 7.240 1.00 54.33 C ATOM 1844 CG2 ILE A 113 -19.156 2.600 4.796 1.00 11.44 C ATOM 1845 CD1 ILE A 113 -18.538 2.017 7.856 1.00 15.25 C ATOM 0 H ILE A 113 -20.128 5.483 5.982 1.00 63.25 H new ATOM 0 HA ILE A 113 -21.817 3.355 4.828 1.00 3.41 H new ATOM 0 HB ILE A 113 -20.557 1.740 6.155 1.00 32.31 H new ATOM 0 HG12 ILE A 113 -18.684 3.964 6.997 1.00 54.33 H new ATOM 0 HG13 ILE A 113 -20.062 3.504 7.977 1.00 54.33 H new ATOM 0 HG21 ILE A 113 -18.369 1.883 5.031 1.00 11.44 H new ATOM 0 HG22 ILE A 113 -19.706 2.260 3.919 1.00 11.44 H new ATOM 0 HG23 ILE A 113 -18.710 3.573 4.590 1.00 11.44 H new ATOM 0 HD11 ILE A 113 -18.028 2.385 8.746 1.00 15.25 H new ATOM 0 HD12 ILE A 113 -19.200 1.196 8.131 1.00 15.25 H new ATOM 0 HD13 ILE A 113 -17.801 1.663 7.136 1.00 15.25 H new ATOM 1857 N ILE A 114 -22.028 5.007 7.564 1.00 41.33 N ATOM 1858 CA ILE A 114 -22.834 5.266 8.750 1.00 3.25 C ATOM 1859 C ILE A 114 -24.323 5.218 8.425 1.00 23.12 C ATOM 1860 O ILE A 114 -25.113 4.638 9.170 1.00 73.43 O ATOM 1861 CB ILE A 114 -22.499 6.636 9.370 1.00 32.23 C ATOM 1862 CG1 ILE A 114 -20.988 6.776 9.567 1.00 73.21 C ATOM 1863 CG2 ILE A 114 -23.229 6.811 10.693 1.00 34.14 C ATOM 1864 CD1 ILE A 114 -20.399 5.730 10.488 1.00 53.15 C ATOM 0 H ILE A 114 -21.398 5.767 7.307 1.00 41.33 H new ATOM 0 HA ILE A 114 -22.597 4.482 9.470 1.00 3.25 H new ATOM 0 HB ILE A 114 -22.831 7.418 8.687 1.00 32.23 H new ATOM 0 HG12 ILE A 114 -20.496 6.712 8.597 1.00 73.21 H new ATOM 0 HG13 ILE A 114 -20.772 7.766 9.970 1.00 73.21 H new ATOM 0 HG21 ILE A 114 -22.982 7.784 11.119 1.00 34.14 H new ATOM 0 HG22 ILE A 114 -24.304 6.750 10.526 1.00 34.14 H new ATOM 0 HG23 ILE A 114 -22.924 6.025 11.384 1.00 34.14 H new ATOM 0 HD11 ILE A 114 -19.325 5.891 10.581 1.00 53.15 H new ATOM 0 HD12 ILE A 114 -20.864 5.807 11.471 1.00 53.15 H new ATOM 0 HD13 ILE A 114 -20.583 4.738 10.076 1.00 53.15 H new ATOM 1876 N PHE A 115 -24.699 5.830 7.307 1.00 3.13 N ATOM 1877 CA PHE A 115 -26.093 5.856 6.882 1.00 53.50 C ATOM 1878 C PHE A 115 -26.535 4.485 6.379 1.00 4.12 C ATOM 1879 O PHE A 115 -27.680 4.080 6.577 1.00 65.34 O ATOM 1880 CB PHE A 115 -26.294 6.903 5.784 1.00 11.54 C ATOM 1881 CG PHE A 115 -27.725 7.328 5.615 1.00 21.15 C ATOM 1882 CD1 PHE A 115 -28.302 8.232 6.493 1.00 25.32 C ATOM 1883 CD2 PHE A 115 -28.494 6.823 4.579 1.00 25.42 C ATOM 1884 CE1 PHE A 115 -29.618 8.625 6.340 1.00 21.24 C ATOM 1885 CE2 PHE A 115 -29.810 7.212 4.421 1.00 11.32 C ATOM 1886 CZ PHE A 115 -30.373 8.113 5.303 1.00 13.45 C ATOM 0 H PHE A 115 -24.058 6.315 6.679 1.00 3.13 H new ATOM 0 HA PHE A 115 -26.704 6.121 7.745 1.00 53.50 H new ATOM 0 HB2 PHE A 115 -25.688 7.779 6.013 1.00 11.54 H new ATOM 0 HB3 PHE A 115 -25.929 6.501 4.839 1.00 11.54 H new ATOM 0 HD1 PHE A 115 -27.716 8.634 7.306 1.00 25.32 H new ATOM 0 HD2 PHE A 115 -28.059 6.117 3.887 1.00 25.42 H new ATOM 0 HE1 PHE A 115 -30.055 9.331 7.030 1.00 21.24 H new ATOM 0 HE2 PHE A 115 -30.398 6.812 3.608 1.00 11.32 H new ATOM 0 HZ PHE A 115 -31.402 8.417 5.182 1.00 13.45 H new ATOM 1896 N GLU A 116 -25.617 3.777 5.728 1.00 33.31 N ATOM 1897 CA GLU A 116 -25.912 2.452 5.196 1.00 74.43 C ATOM 1898 C GLU A 116 -26.135 1.449 6.324 1.00 11.03 C ATOM 1899 O GLU A 116 -27.104 0.689 6.311 1.00 12.44 O ATOM 1900 CB GLU A 116 -24.773 1.975 4.293 1.00 63.02 C ATOM 1901 CG GLU A 116 -24.435 2.947 3.174 1.00 32.54 C ATOM 1902 CD GLU A 116 -25.541 3.055 2.142 1.00 22.13 C ATOM 1903 OE1 GLU A 116 -25.979 2.003 1.630 1.00 4.22 O ATOM 1904 OE2 GLU A 116 -25.968 4.190 1.847 1.00 40.34 O ATOM 0 H GLU A 116 -24.664 4.098 5.557 1.00 33.31 H new ATOM 0 HA GLU A 116 -26.827 2.521 4.608 1.00 74.43 H new ATOM 0 HB2 GLU A 116 -23.883 1.810 4.901 1.00 63.02 H new ATOM 0 HB3 GLU A 116 -25.044 1.013 3.858 1.00 63.02 H new ATOM 0 HG2 GLU A 116 -24.242 3.932 3.599 1.00 32.54 H new ATOM 0 HG3 GLU A 116 -23.516 2.626 2.684 1.00 32.54 H new ATOM 1911 N ILE A 117 -25.231 1.453 7.298 1.00 31.11 N ATOM 1912 CA ILE A 117 -25.329 0.545 8.434 1.00 22.11 C ATOM 1913 C ILE A 117 -26.574 0.835 9.264 1.00 14.24 C ATOM 1914 O ILE A 117 -27.254 -0.082 9.727 1.00 55.35 O ATOM 1915 CB ILE A 117 -24.087 0.641 9.340 1.00 14.54 C ATOM 1916 CG1 ILE A 117 -23.808 -0.708 10.006 1.00 54.13 C ATOM 1917 CG2 ILE A 117 -24.281 1.726 10.390 1.00 61.31 C ATOM 1918 CD1 ILE A 117 -22.336 -1.035 10.115 1.00 5.42 C ATOM 0 H ILE A 117 -24.423 2.075 7.323 1.00 31.11 H new ATOM 0 HA ILE A 117 -25.394 -0.464 8.027 1.00 22.11 H new ATOM 0 HB ILE A 117 -23.227 0.906 8.725 1.00 14.54 H new ATOM 0 HG12 ILE A 117 -24.247 -0.709 11.004 1.00 54.13 H new ATOM 0 HG13 ILE A 117 -24.305 -1.494 9.438 1.00 54.13 H new ATOM 0 HG21 ILE A 117 -23.395 1.782 11.023 1.00 61.31 H new ATOM 0 HG22 ILE A 117 -24.436 2.686 9.897 1.00 61.31 H new ATOM 0 HG23 ILE A 117 -25.150 1.488 11.003 1.00 61.31 H new ATOM 0 HD11 ILE A 117 -22.213 -2.005 10.597 1.00 5.42 H new ATOM 0 HD12 ILE A 117 -21.896 -1.067 9.118 1.00 5.42 H new ATOM 0 HD13 ILE A 117 -21.836 -0.269 10.708 1.00 5.42 H new ATOM 1930 N THR A 118 -26.870 2.118 9.449 1.00 10.24 N ATOM 1931 CA THR A 118 -28.034 2.530 10.223 1.00 12.43 C ATOM 1932 C THR A 118 -29.329 2.151 9.513 1.00 3.13 C ATOM 1933 O THR A 118 -30.269 1.659 10.137 1.00 1.33 O ATOM 1934 CB THR A 118 -28.029 4.049 10.480 1.00 1.12 C ATOM 1935 OG1 THR A 118 -28.160 4.756 9.242 1.00 74.02 O ATOM 1936 CG2 THR A 118 -26.747 4.475 11.179 1.00 1.25 C ATOM 0 H THR A 118 -26.319 2.890 9.073 1.00 10.24 H new ATOM 0 HA THR A 118 -27.980 2.007 11.178 1.00 12.43 H new ATOM 0 HB THR A 118 -28.874 4.288 11.126 1.00 1.12 H new ATOM 0 HG1 THR A 118 -28.847 5.449 9.332 1.00 74.02 H new ATOM 0 HG21 THR A 118 -26.766 5.551 11.350 1.00 1.25 H new ATOM 0 HG22 THR A 118 -26.664 3.957 12.135 1.00 1.25 H new ATOM 0 HG23 THR A 118 -25.891 4.222 10.554 1.00 1.25 H new ATOM 1944 N SER A 119 -29.370 2.382 8.205 1.00 53.10 N ATOM 1945 CA SER A 119 -30.552 2.067 7.410 1.00 3.13 C ATOM 1946 C SER A 119 -30.764 0.559 7.327 1.00 61.42 C ATOM 1947 O SER A 119 -31.897 0.083 7.251 1.00 62.44 O ATOM 1948 CB SER A 119 -30.417 2.653 6.004 1.00 53.34 C ATOM 1949 OG SER A 119 -31.689 2.905 5.432 1.00 14.44 O ATOM 0 H SER A 119 -28.599 2.786 7.673 1.00 53.10 H new ATOM 0 HA SER A 119 -31.419 2.512 7.899 1.00 3.13 H new ATOM 0 HB2 SER A 119 -29.844 3.579 6.046 1.00 53.34 H new ATOM 0 HB3 SER A 119 -29.860 1.962 5.371 1.00 53.34 H new ATOM 0 HG SER A 119 -31.575 3.281 4.534 1.00 14.44 H new ATOM 1955 N PHE A 120 -29.665 -0.189 7.342 1.00 51.33 N ATOM 1956 CA PHE A 120 -29.729 -1.644 7.267 1.00 51.34 C ATOM 1957 C PHE A 120 -30.162 -2.239 8.603 1.00 14.32 C ATOM 1958 O PHE A 120 -30.937 -3.195 8.649 1.00 11.00 O ATOM 1959 CB PHE A 120 -28.370 -2.215 6.858 1.00 4.32 C ATOM 1960 CG PHE A 120 -28.454 -3.239 5.762 1.00 11.55 C ATOM 1961 CD1 PHE A 120 -28.623 -4.581 6.062 1.00 41.31 C ATOM 1962 CD2 PHE A 120 -28.364 -2.859 4.433 1.00 53.30 C ATOM 1963 CE1 PHE A 120 -28.701 -5.525 5.056 1.00 75.50 C ATOM 1964 CE2 PHE A 120 -28.443 -3.799 3.423 1.00 43.21 C ATOM 1965 CZ PHE A 120 -28.610 -5.134 3.735 1.00 52.13 C ATOM 0 H PHE A 120 -28.720 0.189 7.405 1.00 51.33 H new ATOM 0 HA PHE A 120 -30.469 -1.912 6.513 1.00 51.34 H new ATOM 0 HB2 PHE A 120 -27.725 -1.399 6.533 1.00 4.32 H new ATOM 0 HB3 PHE A 120 -27.897 -2.666 7.730 1.00 4.32 H new ATOM 0 HD1 PHE A 120 -28.695 -4.893 7.094 1.00 41.31 H new ATOM 0 HD2 PHE A 120 -28.231 -1.817 4.183 1.00 53.30 H new ATOM 0 HE1 PHE A 120 -28.833 -6.568 5.303 1.00 75.50 H new ATOM 0 HE2 PHE A 120 -28.374 -3.490 2.390 1.00 43.21 H new ATOM 0 HZ PHE A 120 -28.669 -5.871 2.947 1.00 52.13 H new ATOM 1975 N THR A 121 -29.656 -1.666 9.691 1.00 33.12 N ATOM 1976 CA THR A 121 -29.988 -2.139 11.029 1.00 75.51 C ATOM 1977 C THR A 121 -31.441 -1.834 11.375 1.00 12.03 C ATOM 1978 O THR A 121 -32.137 -2.665 11.959 1.00 42.41 O ATOM 1979 CB THR A 121 -29.074 -1.503 12.093 1.00 32.50 C ATOM 1980 OG1 THR A 121 -28.965 -0.094 11.866 1.00 51.11 O ATOM 1981 CG2 THR A 121 -27.691 -2.135 12.065 1.00 23.43 C ATOM 0 H THR A 121 -29.014 -0.873 9.671 1.00 33.12 H new ATOM 0 HA THR A 121 -29.836 -3.218 11.029 1.00 75.51 H new ATOM 0 HB THR A 121 -29.517 -1.679 13.073 1.00 32.50 H new ATOM 0 HG1 THR A 121 -28.293 0.075 11.173 1.00 51.11 H new ATOM 0 HG21 THR A 121 -27.063 -1.670 12.825 1.00 23.43 H new ATOM 0 HG22 THR A 121 -27.775 -3.203 12.267 1.00 23.43 H new ATOM 0 HG23 THR A 121 -27.243 -1.986 11.083 1.00 23.43 H new ATOM 1989 N GLN A 122 -31.893 -0.638 11.011 1.00 24.03 N ATOM 1990 CA GLN A 122 -33.264 -0.224 11.284 1.00 22.14 C ATOM 1991 C GLN A 122 -34.253 -1.034 10.452 1.00 2.25 C ATOM 1992 O GLN A 122 -35.255 -1.527 10.970 1.00 65.15 O ATOM 1993 CB GLN A 122 -33.436 1.268 10.994 1.00 60.24 C ATOM 1994 CG GLN A 122 -33.605 1.584 9.516 1.00 0.23 C ATOM 1995 CD GLN A 122 -33.572 3.073 9.231 1.00 61.43 C ATOM 1996 OE1 GLN A 122 -32.930 3.840 9.949 1.00 54.12 O ATOM 1997 NE2 GLN A 122 -34.265 3.489 8.177 1.00 1.13 N ATOM 0 H GLN A 122 -31.330 0.061 10.526 1.00 24.03 H new ATOM 0 HA GLN A 122 -33.469 -0.407 12.339 1.00 22.14 H new ATOM 0 HB2 GLN A 122 -34.305 1.638 11.538 1.00 60.24 H new ATOM 0 HB3 GLN A 122 -32.568 1.806 11.375 1.00 60.24 H new ATOM 0 HG2 GLN A 122 -32.814 1.092 8.950 1.00 0.23 H new ATOM 0 HG3 GLN A 122 -34.551 1.172 9.166 1.00 0.23 H new ATOM 0 HE21 GLN A 122 -34.783 2.818 7.610 1.00 1.13 H new ATOM 0 HE22 GLN A 122 -34.279 4.480 7.935 1.00 1.13 H new ATOM 2006 N GLU A 123 -33.964 -1.166 9.161 1.00 12.45 N ATOM 2007 CA GLU A 123 -34.830 -1.915 8.258 1.00 1.15 C ATOM 2008 C GLU A 123 -34.954 -3.369 8.705 1.00 44.11 C ATOM 2009 O GLU A 123 -36.016 -3.979 8.586 1.00 54.12 O ATOM 2010 CB GLU A 123 -34.288 -1.853 6.829 1.00 73.22 C ATOM 2011 CG GLU A 123 -33.250 -2.920 6.525 1.00 71.23 C ATOM 2012 CD GLU A 123 -32.931 -3.019 5.046 1.00 73.25 C ATOM 2013 OE1 GLU A 123 -33.834 -3.394 4.268 1.00 15.34 O ATOM 2014 OE2 GLU A 123 -31.780 -2.723 4.665 1.00 5.31 O ATOM 0 H GLU A 123 -33.138 -0.764 8.718 1.00 12.45 H new ATOM 0 HA GLU A 123 -35.820 -1.460 8.283 1.00 1.15 H new ATOM 0 HB2 GLU A 123 -35.118 -1.956 6.130 1.00 73.22 H new ATOM 0 HB3 GLU A 123 -33.848 -0.871 6.659 1.00 73.22 H new ATOM 0 HG2 GLU A 123 -32.336 -2.700 7.076 1.00 71.23 H new ATOM 0 HG3 GLU A 123 -33.612 -3.885 6.880 1.00 71.23 H new ATOM 2021 N LYS A 124 -33.859 -3.919 9.219 1.00 1.23 N ATOM 2022 CA LYS A 124 -33.842 -5.300 9.685 1.00 74.42 C ATOM 2023 C LYS A 124 -34.525 -5.425 11.043 1.00 2.03 C ATOM 2024 O LYS A 124 -35.233 -6.398 11.307 1.00 50.21 O ATOM 2025 CB LYS A 124 -32.403 -5.812 9.776 1.00 31.34 C ATOM 2026 CG LYS A 124 -32.070 -6.879 8.747 1.00 12.24 C ATOM 2027 CD LYS A 124 -32.324 -6.387 7.332 1.00 1.13 C ATOM 2028 CE LYS A 124 -33.704 -6.795 6.840 1.00 41.54 C ATOM 2029 NZ LYS A 124 -33.630 -7.612 5.597 1.00 31.43 N ATOM 0 H LYS A 124 -32.971 -3.428 9.323 1.00 1.23 H new ATOM 0 HA LYS A 124 -34.392 -5.906 8.965 1.00 74.42 H new ATOM 0 HB2 LYS A 124 -31.719 -4.973 9.651 1.00 31.34 H new ATOM 0 HB3 LYS A 124 -32.233 -6.216 10.774 1.00 31.34 H new ATOM 0 HG2 LYS A 124 -31.025 -7.171 8.850 1.00 12.24 H new ATOM 0 HG3 LYS A 124 -32.670 -7.769 8.937 1.00 12.24 H new ATOM 0 HD2 LYS A 124 -32.232 -5.301 7.301 1.00 1.13 H new ATOM 0 HD3 LYS A 124 -31.564 -6.791 6.663 1.00 1.13 H new ATOM 0 HE2 LYS A 124 -34.214 -7.363 7.618 1.00 41.54 H new ATOM 0 HE3 LYS A 124 -34.302 -5.903 6.653 1.00 41.54 H new ATOM 0 HZ1 LYS A 124 -34.591 -7.870 5.294 1.00 31.43 H new ATOM 0 HZ2 LYS A 124 -33.166 -7.061 4.847 1.00 31.43 H new ATOM 0 HZ3 LYS A 124 -33.081 -8.476 5.782 1.00 31.43 H new ATOM 2043 N LEU A 125 -34.309 -4.434 11.902 1.00 62.53 N ATOM 2044 CA LEU A 125 -34.905 -4.432 13.233 1.00 24.43 C ATOM 2045 C LEU A 125 -36.419 -4.266 13.152 1.00 23.41 C ATOM 2046 O LEU A 125 -37.167 -4.949 13.852 1.00 25.32 O ATOM 2047 CB LEU A 125 -34.302 -3.311 14.081 1.00 21.25 C ATOM 2048 CG LEU A 125 -35.182 -2.778 15.213 1.00 61.13 C ATOM 2049 CD1 LEU A 125 -35.682 -3.920 16.084 1.00 64.23 C ATOM 2050 CD2 LEU A 125 -34.418 -1.762 16.049 1.00 0.10 C ATOM 0 H LEU A 125 -33.726 -3.622 11.700 1.00 62.53 H new ATOM 0 HA LEU A 125 -34.688 -5.391 13.703 1.00 24.43 H new ATOM 0 HB2 LEU A 125 -33.368 -3.671 14.513 1.00 21.25 H new ATOM 0 HB3 LEU A 125 -34.049 -2.480 13.422 1.00 21.25 H new ATOM 0 HG LEU A 125 -36.046 -2.280 14.772 1.00 61.13 H new ATOM 0 HD11 LEU A 125 -36.306 -3.521 16.884 1.00 64.23 H new ATOM 0 HD12 LEU A 125 -36.267 -4.611 15.477 1.00 64.23 H new ATOM 0 HD13 LEU A 125 -34.832 -4.447 16.516 1.00 64.23 H new ATOM 0 HD21 LEU A 125 -35.059 -1.393 16.850 1.00 0.10 H new ATOM 0 HD22 LEU A 125 -33.536 -2.235 16.480 1.00 0.10 H new ATOM 0 HD23 LEU A 125 -34.111 -0.928 15.417 1.00 0.10 H new ATOM 2062 N ASP A 126 -36.863 -3.357 12.292 1.00 15.43 N ATOM 2063 CA ASP A 126 -38.289 -3.103 12.117 1.00 42.03 C ATOM 2064 C ASP A 126 -38.999 -4.342 11.581 1.00 33.11 C ATOM 2065 O ASP A 126 -40.086 -4.693 12.040 1.00 4.15 O ATOM 2066 CB ASP A 126 -38.506 -1.925 11.166 1.00 45.30 C ATOM 2067 CG ASP A 126 -38.788 -2.372 9.745 1.00 11.41 C ATOM 2068 OD1 ASP A 126 -39.845 -2.998 9.519 1.00 63.11 O ATOM 2069 OD2 ASP A 126 -37.953 -2.094 8.859 1.00 32.12 O ATOM 0 H ASP A 126 -36.257 -2.784 11.705 1.00 15.43 H new ATOM 0 HA ASP A 126 -38.711 -2.856 13.091 1.00 42.03 H new ATOM 0 HB2 ASP A 126 -39.339 -1.320 11.525 1.00 45.30 H new ATOM 0 HB3 ASP A 126 -37.622 -1.287 11.174 1.00 45.30 H new ATOM 2074 N GLU A 127 -38.378 -4.999 10.607 1.00 73.43 N ATOM 2075 CA GLU A 127 -38.953 -6.198 10.008 1.00 72.22 C ATOM 2076 C GLU A 127 -38.988 -7.346 11.013 1.00 12.43 C ATOM 2077 O GLU A 127 -39.854 -8.218 10.946 1.00 31.33 O ATOM 2078 CB GLU A 127 -38.151 -6.613 8.772 1.00 14.32 C ATOM 2079 CG GLU A 127 -37.023 -7.584 9.076 1.00 1.45 C ATOM 2080 CD GLU A 127 -37.414 -9.028 8.830 1.00 4.11 C ATOM 2081 OE1 GLU A 127 -38.420 -9.478 9.417 1.00 52.12 O ATOM 2082 OE2 GLU A 127 -36.713 -9.708 8.051 1.00 35.04 O ATOM 0 H GLU A 127 -37.478 -4.722 10.216 1.00 73.43 H new ATOM 0 HA GLU A 127 -39.976 -5.968 9.709 1.00 72.22 H new ATOM 0 HB2 GLU A 127 -38.826 -7.069 8.048 1.00 14.32 H new ATOM 0 HB3 GLU A 127 -37.735 -5.721 8.303 1.00 14.32 H new ATOM 0 HG2 GLU A 127 -36.159 -7.336 8.460 1.00 1.45 H new ATOM 0 HG3 GLU A 127 -36.718 -7.466 10.116 1.00 1.45 H new ATOM 2089 N PHE A 128 -38.040 -7.337 11.945 1.00 73.44 N ATOM 2090 CA PHE A 128 -37.961 -8.377 12.964 1.00 62.53 C ATOM 2091 C PHE A 128 -39.062 -8.204 14.005 1.00 12.33 C ATOM 2092 O PHE A 128 -39.892 -9.091 14.199 1.00 32.31 O ATOM 2093 CB PHE A 128 -36.591 -8.351 13.644 1.00 3.43 C ATOM 2094 CG PHE A 128 -35.872 -9.669 13.598 1.00 52.22 C ATOM 2095 CD1 PHE A 128 -36.061 -10.611 14.596 1.00 23.01 C ATOM 2096 CD2 PHE A 128 -35.009 -9.966 12.556 1.00 41.14 C ATOM 2097 CE1 PHE A 128 -35.400 -11.824 14.556 1.00 71.30 C ATOM 2098 CE2 PHE A 128 -34.346 -11.178 12.510 1.00 41.11 C ATOM 2099 CZ PHE A 128 -34.543 -12.109 13.511 1.00 3.31 C ATOM 0 H PHE A 128 -37.316 -6.621 12.015 1.00 73.44 H new ATOM 0 HA PHE A 128 -38.098 -9.341 12.474 1.00 62.53 H new ATOM 0 HB2 PHE A 128 -35.972 -7.592 13.166 1.00 3.43 H new ATOM 0 HB3 PHE A 128 -36.717 -8.051 14.684 1.00 3.43 H new ATOM 0 HD1 PHE A 128 -36.732 -10.395 15.414 1.00 23.01 H new ATOM 0 HD2 PHE A 128 -34.852 -9.242 11.770 1.00 41.14 H new ATOM 0 HE1 PHE A 128 -35.554 -12.549 15.342 1.00 71.30 H new ATOM 0 HE2 PHE A 128 -33.675 -11.397 11.693 1.00 41.11 H new ATOM 0 HZ PHE A 128 -34.028 -13.058 13.477 1.00 3.31 H new