USER MOD reduce.3.24.130724 H: found=0, std=0, add=701, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 602 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 60 THR OG1 : rot -169:sc= 0.102 USER MOD Set 1.2: A 68 LYS NZ :NH3+ -132:sc= 0.117 (180deg=0) USER MOD Set 2.1: A 9 THR OG1 : rot -170:sc= 0.748 USER MOD Set 2.2: A 49 SER OG : rot -139:sc= 0.849 USER MOD Set 3.1: A 37 ASN : amide:sc= -0.147 X(o=0.015,f=-0.39) USER MOD Set 3.2: A 38 THR OG1 : rot 103:sc= 0.161 USER MOD Single : A 8 THR OG1 : rot -26:sc= 0.191 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= 0.454 K(o=0.45,f=-0.92) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 THR OG1 : rot 147:sc= 1.61 USER MOD Single : A 18 TYR OH : rot 165:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -0.0262 K(o=-0.026,f=-2.4!) USER MOD Single : A 22 LYS NZ :NH3+ 171:sc= 0.0632 (180deg=0.0487) USER MOD Single : A 23 ASN :FLIP amide:sc= -0.345 F(o=-1.9,f=-0.35) USER MOD Single : A 25 LYS NZ :NH3+ -140:sc= 1.09 (180deg=-0.634) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= 1.18 K(o=1.2,f=-0.066) USER MOD Single : A 32 LYS NZ :NH3+ 169:sc= 1.25 (180deg=1.2) USER MOD Single : A 34 GLN : amide:sc= -1.42 K(o=-1.4,f=-5.6!) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0.00436 USER MOD Single : A 42 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 44 SER OG : rot -150:sc= 0.311 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 168:sc= 1.24 (180deg=1.18) USER MOD Single : A 57 MET CE :methyl 170:sc= -0.643 (180deg=-0.858) USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.074 USER MOD Single : A 63 THR OG1 : rot 165:sc= 1.68 USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=-0.065) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 HIS : no HE2:sc= 0.184 K(o=0.18,f=-2.6) USER MOD Single : A 74 LYS NZ :NH3+ -149:sc= 0.235 (180deg=-0.421) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= -0.148 X(o=-0.15,f=-0.15) USER MOD Single : A 94 GLN :FLIP amide:sc= -0.111 F(o=-0.78,f=-0.11) USER MOD Single : A 99 GLN : amide:sc= 0.265 K(o=0.27,f=-0.93) USER MOD ----------------------------------------------------------------- ATOM 82 N THR A 8 0.480 17.830 0.572 1.00 5.35 N ATOM 83 CA THR A 8 0.077 16.691 -0.227 1.00 31.24 C ATOM 84 C THR A 8 -0.114 15.461 0.673 1.00 13.24 C ATOM 85 O THR A 8 0.141 15.516 1.882 1.00 63.24 O ATOM 86 CB THR A 8 1.115 16.491 -1.348 1.00 65.30 C ATOM 87 OG1 THR A 8 2.444 16.503 -0.862 1.00 63.24 O ATOM 88 CG2 THR A 8 1.027 17.634 -2.362 1.00 3.34 C ATOM 0 HA THR A 8 -0.888 16.859 -0.705 1.00 31.24 H new ATOM 0 HB THR A 8 0.888 15.523 -1.795 1.00 65.30 H new ATOM 0 HG1 THR A 8 2.486 17.030 -0.037 1.00 63.24 H new ATOM 0 HG21 THR A 8 1.766 17.480 -3.149 1.00 3.34 H new ATOM 0 HG22 THR A 8 0.029 17.655 -2.800 1.00 3.34 H new ATOM 0 HG23 THR A 8 1.223 18.582 -1.860 1.00 3.34 H new ATOM 96 N THR A 9 -0.553 14.346 0.090 1.00 31.43 N ATOM 97 CA THR A 9 -0.417 13.050 0.738 1.00 72.10 C ATOM 98 C THR A 9 0.909 12.413 0.322 1.00 32.13 C ATOM 99 O THR A 9 1.415 12.644 -0.779 1.00 22.22 O ATOM 100 CB THR A 9 -1.632 12.147 0.421 1.00 33.43 C ATOM 101 OG1 THR A 9 -2.291 12.459 -0.794 1.00 50.51 O ATOM 102 CG2 THR A 9 -2.682 12.234 1.521 1.00 5.42 C ATOM 0 H THR A 9 -1.003 14.318 -0.825 1.00 31.43 H new ATOM 0 HA THR A 9 -0.403 13.179 1.820 1.00 72.10 H new ATOM 0 HB THR A 9 -1.204 11.148 0.340 1.00 33.43 H new ATOM 0 HG1 THR A 9 -3.131 11.958 -0.848 1.00 50.51 H new ATOM 0 HG21 THR A 9 -3.525 11.589 1.272 1.00 5.42 H new ATOM 0 HG22 THR A 9 -2.246 11.912 2.467 1.00 5.42 H new ATOM 0 HG23 THR A 9 -3.028 13.264 1.613 1.00 5.42 H new ATOM 110 N THR A 10 1.397 11.520 1.176 1.00 41.30 N ATOM 111 CA THR A 10 2.448 10.557 0.896 1.00 41.22 C ATOM 112 C THR A 10 1.836 9.187 1.217 1.00 34.04 C ATOM 113 O THR A 10 0.845 9.087 1.954 1.00 31.04 O ATOM 114 CB THR A 10 3.705 10.930 1.711 1.00 43.20 C ATOM 115 OG1 THR A 10 4.054 12.270 1.409 1.00 13.33 O ATOM 116 CG2 THR A 10 4.940 10.064 1.418 1.00 62.40 C ATOM 0 H THR A 10 1.049 11.447 2.132 1.00 41.30 H new ATOM 0 HA THR A 10 2.791 10.544 -0.139 1.00 41.22 H new ATOM 0 HB THR A 10 3.440 10.773 2.757 1.00 43.20 H new ATOM 0 HG1 THR A 10 4.851 12.524 1.920 1.00 13.33 H new ATOM 0 HG21 THR A 10 5.774 10.398 2.036 1.00 62.40 H new ATOM 0 HG22 THR A 10 4.716 9.022 1.645 1.00 62.40 H new ATOM 0 HG23 THR A 10 5.208 10.157 0.366 1.00 62.40 H new ATOM 124 N ILE A 11 2.356 8.138 0.599 1.00 24.23 N ATOM 125 CA ILE A 11 1.919 6.757 0.696 1.00 72.02 C ATOM 126 C ILE A 11 3.171 5.993 1.104 1.00 25.12 C ATOM 127 O ILE A 11 4.271 6.331 0.662 1.00 12.14 O ATOM 128 CB ILE A 11 1.355 6.288 -0.666 1.00 24.04 C ATOM 129 CG1 ILE A 11 0.103 7.098 -1.069 1.00 64.13 C ATOM 130 CG2 ILE A 11 1.036 4.780 -0.630 1.00 34.22 C ATOM 131 CD1 ILE A 11 -0.293 6.940 -2.544 1.00 1.54 C ATOM 0 H ILE A 11 3.153 8.239 -0.029 1.00 24.23 H new ATOM 0 HA ILE A 11 1.115 6.602 1.416 1.00 72.02 H new ATOM 0 HB ILE A 11 2.121 6.465 -1.421 1.00 24.04 H new ATOM 0 HG12 ILE A 11 -0.734 6.789 -0.443 1.00 64.13 H new ATOM 0 HG13 ILE A 11 0.283 8.153 -0.862 1.00 64.13 H new ATOM 0 HG21 ILE A 11 0.640 4.469 -1.597 1.00 34.22 H new ATOM 0 HG22 ILE A 11 1.946 4.221 -0.413 1.00 34.22 H new ATOM 0 HG23 ILE A 11 0.296 4.583 0.145 1.00 34.22 H new ATOM 0 HD11 ILE A 11 -1.180 7.539 -2.749 1.00 1.54 H new ATOM 0 HD12 ILE A 11 0.527 7.277 -3.179 1.00 1.54 H new ATOM 0 HD13 ILE A 11 -0.507 5.892 -2.753 1.00 1.54 H new ATOM 142 N ARG A 12 3.028 4.974 1.952 1.00 72.11 N ATOM 143 CA ARG A 12 4.183 4.284 2.514 1.00 25.31 C ATOM 144 C ARG A 12 3.914 2.793 2.575 1.00 64.34 C ATOM 145 O ARG A 12 2.978 2.348 3.238 1.00 45.54 O ATOM 146 CB ARG A 12 4.554 4.925 3.859 1.00 21.23 C ATOM 147 CG ARG A 12 6.006 4.655 4.270 1.00 63.14 C ATOM 148 CD ARG A 12 6.223 3.289 4.917 1.00 13.13 C ATOM 149 NE ARG A 12 7.585 3.166 5.456 1.00 21.35 N ATOM 150 CZ ARG A 12 7.983 3.288 6.724 1.00 75.40 C ATOM 151 NH1 ARG A 12 7.180 3.796 7.654 1.00 61.43 N ATOM 152 NH2 ARG A 12 9.199 2.888 7.049 1.00 74.00 N ATOM 0 H ARG A 12 2.126 4.611 2.262 1.00 72.11 H new ATOM 0 HA ARG A 12 5.059 4.395 1.875 1.00 25.31 H new ATOM 0 HB2 ARG A 12 4.393 6.001 3.799 1.00 21.23 H new ATOM 0 HB3 ARG A 12 3.886 4.546 4.633 1.00 21.23 H new ATOM 0 HG2 ARG A 12 6.643 4.734 3.389 1.00 63.14 H new ATOM 0 HG3 ARG A 12 6.326 5.430 4.966 1.00 63.14 H new ATOM 0 HD2 ARG A 12 5.498 3.144 5.718 1.00 13.13 H new ATOM 0 HD3 ARG A 12 6.048 2.504 4.182 1.00 13.13 H new ATOM 0 HE ARG A 12 8.317 2.962 4.776 1.00 21.35 H new ATOM 0 HH11 ARG A 12 6.239 4.101 7.404 1.00 61.43 H new ATOM 0 HH12 ARG A 12 7.505 3.880 8.617 1.00 61.43 H new ATOM 0 HH21 ARG A 12 9.814 2.495 6.337 1.00 74.00 H new ATOM 0 HH22 ARG A 12 9.523 2.972 8.012 1.00 74.00 H new ATOM 163 N LEU A 13 4.703 2.018 1.844 1.00 11.45 N ATOM 164 CA LEU A 13 4.545 0.574 1.709 1.00 54.11 C ATOM 165 C LEU A 13 5.519 -0.132 2.640 1.00 25.14 C ATOM 166 O LEU A 13 6.676 0.281 2.711 1.00 41.24 O ATOM 167 CB LEU A 13 4.811 0.165 0.245 1.00 65.14 C ATOM 168 CG LEU A 13 3.597 0.142 -0.697 1.00 1.31 C ATOM 169 CD1 LEU A 13 2.794 -1.135 -0.472 1.00 74.22 C ATOM 170 CD2 LEU A 13 2.714 1.387 -0.561 1.00 2.51 C ATOM 0 H LEU A 13 5.493 2.385 1.313 1.00 11.45 H new ATOM 0 HA LEU A 13 3.529 0.286 1.978 1.00 54.11 H new ATOM 0 HB2 LEU A 13 5.551 0.849 -0.170 1.00 65.14 H new ATOM 0 HB3 LEU A 13 5.260 -0.828 0.245 1.00 65.14 H new ATOM 0 HG LEU A 13 3.974 0.154 -1.720 1.00 1.31 H new ATOM 0 HD11 LEU A 13 1.934 -1.147 -1.142 1.00 74.22 H new ATOM 0 HD12 LEU A 13 3.424 -2.001 -0.674 1.00 74.22 H new ATOM 0 HD13 LEU A 13 2.449 -1.171 0.561 1.00 74.22 H new ATOM 0 HD21 LEU A 13 1.873 1.314 -1.251 1.00 2.51 H new ATOM 0 HD22 LEU A 13 2.340 1.458 0.460 1.00 2.51 H new ATOM 0 HD23 LEU A 13 3.300 2.276 -0.796 1.00 2.51 H new ATOM 181 N ILE A 14 5.086 -1.200 3.316 1.00 23.44 N ATOM 182 CA ILE A 14 5.892 -2.003 4.227 1.00 12.11 C ATOM 183 C ILE A 14 5.692 -3.484 3.869 1.00 32.04 C ATOM 184 O ILE A 14 4.558 -3.938 3.696 1.00 42.32 O ATOM 185 CB ILE A 14 5.468 -1.716 5.685 1.00 50.21 C ATOM 186 CG1 ILE A 14 5.418 -0.213 6.056 1.00 4.42 C ATOM 187 CG2 ILE A 14 6.448 -2.390 6.657 1.00 22.31 C ATOM 188 CD1 ILE A 14 4.079 0.493 5.824 1.00 1.35 C ATOM 0 H ILE A 14 4.127 -1.538 3.238 1.00 23.44 H new ATOM 0 HA ILE A 14 6.949 -1.752 4.133 1.00 12.11 H new ATOM 0 HB ILE A 14 4.456 -2.114 5.767 1.00 50.21 H new ATOM 0 HG12 ILE A 14 5.682 -0.110 7.108 1.00 4.42 H new ATOM 0 HG13 ILE A 14 6.185 0.308 5.482 1.00 4.42 H new ATOM 0 HG21 ILE A 14 6.143 -2.183 7.683 1.00 22.31 H new ATOM 0 HG22 ILE A 14 6.446 -3.467 6.488 1.00 22.31 H new ATOM 0 HG23 ILE A 14 7.452 -1.999 6.491 1.00 22.31 H new ATOM 0 HD11 ILE A 14 4.163 1.539 6.119 1.00 1.35 H new ATOM 0 HD12 ILE A 14 3.815 0.434 4.768 1.00 1.35 H new ATOM 0 HD13 ILE A 14 3.305 0.009 6.420 1.00 1.35 H new ATOM 199 N ASN A 15 6.790 -4.240 3.783 1.00 5.41 N ATOM 200 CA ASN A 15 6.822 -5.616 3.292 1.00 5.21 C ATOM 201 C ASN A 15 7.028 -6.604 4.449 1.00 34.33 C ATOM 202 O ASN A 15 8.091 -7.208 4.563 1.00 3.35 O ATOM 203 CB ASN A 15 7.925 -5.739 2.219 1.00 13.44 C ATOM 204 CG ASN A 15 7.717 -6.935 1.309 1.00 44.30 C ATOM 205 OD1 ASN A 15 6.604 -7.231 0.893 1.00 44.42 O ATOM 206 ND2 ASN A 15 8.791 -7.570 0.888 1.00 30.15 N ATOM 0 H ASN A 15 7.709 -3.898 4.063 1.00 5.41 H new ATOM 0 HA ASN A 15 5.865 -5.869 2.835 1.00 5.21 H new ATOM 0 HB2 ASN A 15 7.947 -4.829 1.619 1.00 13.44 H new ATOM 0 HB3 ASN A 15 8.896 -5.822 2.708 1.00 13.44 H new ATOM 0 HD21 ASN A 15 8.704 -8.322 0.204 1.00 30.15 H new ATOM 0 HD22 ASN A 15 9.710 -7.310 1.246 1.00 30.15 H new ATOM 212 N GLN A 16 6.059 -6.730 5.365 1.00 52.42 N ATOM 213 CA GLN A 16 6.225 -7.401 6.669 1.00 54.20 C ATOM 214 C GLN A 16 6.126 -8.933 6.577 1.00 70.24 C ATOM 215 O GLN A 16 5.790 -9.606 7.553 1.00 45.12 O ATOM 216 CB GLN A 16 5.233 -6.828 7.707 1.00 61.01 C ATOM 217 CG GLN A 16 5.309 -5.298 7.767 1.00 2.43 C ATOM 218 CD GLN A 16 4.549 -4.667 8.924 1.00 74.32 C ATOM 219 OE1 GLN A 16 5.117 -3.919 9.722 1.00 21.41 O ATOM 220 NE2 GLN A 16 3.251 -4.869 9.010 1.00 23.34 N ATOM 0 H GLN A 16 5.118 -6.363 5.221 1.00 52.42 H new ATOM 0 HA GLN A 16 7.240 -7.189 7.006 1.00 54.20 H new ATOM 0 HB2 GLN A 16 4.219 -7.134 7.451 1.00 61.01 H new ATOM 0 HB3 GLN A 16 5.452 -7.244 8.690 1.00 61.01 H new ATOM 0 HG2 GLN A 16 6.356 -5.003 7.834 1.00 2.43 H new ATOM 0 HG3 GLN A 16 4.923 -4.892 6.832 1.00 2.43 H new ATOM 0 HE21 GLN A 16 2.786 -5.489 8.347 1.00 23.34 H new ATOM 0 HE22 GLN A 16 2.710 -4.405 9.740 1.00 23.34 H new ATOM 227 N THR A 17 6.407 -9.500 5.410 1.00 62.01 N ATOM 228 CA THR A 17 6.226 -10.902 5.076 1.00 3.25 C ATOM 229 C THR A 17 7.568 -11.642 4.989 1.00 54.52 C ATOM 230 O THR A 17 8.647 -11.057 5.157 1.00 25.04 O ATOM 231 CB THR A 17 5.406 -10.973 3.769 1.00 45.23 C ATOM 232 OG1 THR A 17 5.651 -9.876 2.902 1.00 70.10 O ATOM 233 CG2 THR A 17 3.920 -10.921 4.084 1.00 2.41 C ATOM 0 H THR A 17 6.788 -8.962 4.631 1.00 62.01 H new ATOM 0 HA THR A 17 5.677 -11.415 5.866 1.00 3.25 H new ATOM 0 HB THR A 17 5.705 -11.903 3.286 1.00 45.23 H new ATOM 0 HG1 THR A 17 5.571 -10.171 1.971 1.00 70.10 H new ATOM 0 HG21 THR A 17 3.349 -10.972 3.157 1.00 2.41 H new ATOM 0 HG22 THR A 17 3.653 -11.765 4.721 1.00 2.41 H new ATOM 0 HG23 THR A 17 3.690 -9.989 4.601 1.00 2.41 H new ATOM 241 N TYR A 18 7.494 -12.935 4.673 1.00 64.01 N ATOM 242 CA TYR A 18 8.636 -13.842 4.612 1.00 24.15 C ATOM 243 C TYR A 18 9.165 -14.131 3.195 1.00 64.30 C ATOM 244 O TYR A 18 9.876 -15.119 2.997 1.00 32.45 O ATOM 245 CB TYR A 18 8.313 -15.105 5.419 1.00 10.55 C ATOM 246 CG TYR A 18 7.050 -15.895 5.122 1.00 11.33 C ATOM 247 CD1 TYR A 18 6.568 -16.100 3.812 1.00 61.33 C ATOM 248 CD2 TYR A 18 6.403 -16.526 6.200 1.00 73.32 C ATOM 249 CE1 TYR A 18 5.422 -16.887 3.594 1.00 64.24 C ATOM 250 CE2 TYR A 18 5.273 -17.327 5.986 1.00 53.20 C ATOM 251 CZ TYR A 18 4.758 -17.498 4.683 1.00 32.24 C ATOM 252 OH TYR A 18 3.639 -18.251 4.503 1.00 72.42 O ATOM 0 H TYR A 18 6.611 -13.392 4.446 1.00 64.01 H new ATOM 0 HA TYR A 18 9.483 -13.333 5.071 1.00 24.15 H new ATOM 0 HB2 TYR A 18 9.156 -15.787 5.305 1.00 10.55 H new ATOM 0 HB3 TYR A 18 8.276 -14.817 6.470 1.00 10.55 H new ATOM 0 HD1 TYR A 18 7.080 -15.651 2.974 1.00 61.33 H new ATOM 0 HD2 TYR A 18 6.781 -16.392 7.203 1.00 73.32 H new ATOM 0 HE1 TYR A 18 5.048 -17.025 2.590 1.00 64.24 H new ATOM 0 HE2 TYR A 18 4.794 -17.816 6.822 1.00 53.20 H new ATOM 0 HH TYR A 18 3.465 -18.777 5.311 1.00 72.42 H new ATOM 261 N PHE A 19 8.830 -13.302 2.204 1.00 54.24 N ATOM 262 CA PHE A 19 9.319 -13.419 0.828 1.00 12.45 C ATOM 263 C PHE A 19 9.917 -12.075 0.378 1.00 14.52 C ATOM 264 O PHE A 19 9.888 -11.083 1.105 1.00 40.51 O ATOM 265 CB PHE A 19 8.185 -13.939 -0.081 1.00 25.24 C ATOM 266 CG PHE A 19 6.861 -13.222 0.096 1.00 22.45 C ATOM 267 CD1 PHE A 19 6.759 -11.854 -0.213 1.00 73.04 C ATOM 268 CD2 PHE A 19 5.760 -13.889 0.672 1.00 32.01 C ATOM 269 CE1 PHE A 19 5.583 -11.151 0.088 1.00 32.25 C ATOM 270 CE2 PHE A 19 4.596 -13.177 0.990 1.00 23.23 C ATOM 271 CZ PHE A 19 4.504 -11.811 0.689 1.00 34.33 C ATOM 0 H PHE A 19 8.197 -12.513 2.338 1.00 54.24 H new ATOM 0 HA PHE A 19 10.125 -14.150 0.759 1.00 12.45 H new ATOM 0 HB2 PHE A 19 8.498 -13.846 -1.121 1.00 25.24 H new ATOM 0 HB3 PHE A 19 8.038 -15.001 0.114 1.00 25.24 H new ATOM 0 HD1 PHE A 19 7.587 -11.344 -0.683 1.00 73.04 H new ATOM 0 HD2 PHE A 19 5.814 -14.950 0.868 1.00 32.01 H new ATOM 0 HE1 PHE A 19 5.510 -10.099 -0.144 1.00 32.25 H new ATOM 0 HE2 PHE A 19 3.769 -13.681 1.468 1.00 23.23 H new ATOM 0 HZ PHE A 19 3.600 -11.267 0.921 1.00 34.33 H new ATOM 280 N ASN A 20 10.431 -12.004 -0.849 1.00 24.35 N ATOM 281 CA ASN A 20 10.836 -10.761 -1.518 1.00 75.34 C ATOM 282 C ASN A 20 9.737 -10.362 -2.506 1.00 2.15 C ATOM 283 O ASN A 20 9.111 -11.257 -3.084 1.00 32.31 O ATOM 284 CB ASN A 20 12.171 -10.999 -2.236 1.00 44.43 C ATOM 285 CG ASN A 20 12.513 -9.923 -3.262 1.00 60.20 C ATOM 286 OD1 ASN A 20 12.459 -8.734 -2.981 1.00 41.53 O ATOM 287 ND2 ASN A 20 12.836 -10.315 -4.486 1.00 74.32 N ATOM 0 H ASN A 20 10.583 -12.832 -1.425 1.00 24.35 H new ATOM 0 HA ASN A 20 10.971 -9.952 -0.800 1.00 75.34 H new ATOM 0 HB2 ASN A 20 12.969 -11.049 -1.495 1.00 44.43 H new ATOM 0 HB3 ASN A 20 12.138 -11.968 -2.735 1.00 44.43 H new ATOM 0 HD21 ASN A 20 13.043 -9.622 -5.205 1.00 74.32 H new ATOM 0 HD22 ASN A 20 12.878 -11.310 -4.709 1.00 74.32 H new ATOM 293 N VAL A 21 9.515 -9.063 -2.750 1.00 5.31 N ATOM 294 CA VAL A 21 8.570 -8.597 -3.776 1.00 65.12 C ATOM 295 C VAL A 21 9.259 -7.632 -4.744 1.00 42.52 C ATOM 296 O VAL A 21 9.973 -6.718 -4.344 1.00 40.51 O ATOM 297 CB VAL A 21 7.335 -7.954 -3.128 1.00 72.44 C ATOM 298 CG1 VAL A 21 6.569 -8.952 -2.271 1.00 41.32 C ATOM 299 CG2 VAL A 21 7.670 -6.726 -2.282 1.00 3.51 C ATOM 0 H VAL A 21 9.982 -8.309 -2.246 1.00 5.31 H new ATOM 0 HA VAL A 21 8.230 -9.459 -4.350 1.00 65.12 H new ATOM 0 HB VAL A 21 6.711 -7.629 -3.961 1.00 72.44 H new ATOM 0 HG11 VAL A 21 5.702 -8.462 -1.829 1.00 41.32 H new ATOM 0 HG12 VAL A 21 6.238 -9.785 -2.891 1.00 41.32 H new ATOM 0 HG13 VAL A 21 7.218 -9.325 -1.479 1.00 41.32 H new ATOM 0 HG21 VAL A 21 6.754 -6.319 -1.853 1.00 3.51 H new ATOM 0 HG22 VAL A 21 8.351 -7.011 -1.480 1.00 3.51 H new ATOM 0 HG23 VAL A 21 8.144 -5.970 -2.909 1.00 3.51 H new ATOM 309 N LYS A 22 9.036 -7.816 -6.045 1.00 22.04 N ATOM 310 CA LYS A 22 9.830 -7.194 -7.121 1.00 53.33 C ATOM 311 C LYS A 22 8.962 -6.569 -8.209 1.00 71.04 C ATOM 312 O LYS A 22 9.285 -6.645 -9.396 1.00 10.15 O ATOM 313 CB LYS A 22 10.843 -8.209 -7.676 1.00 42.33 C ATOM 314 CG LYS A 22 10.165 -9.511 -8.158 1.00 10.34 C ATOM 315 CD LYS A 22 10.288 -10.624 -7.103 1.00 2.11 C ATOM 316 CE LYS A 22 9.059 -11.531 -7.115 1.00 10.13 C ATOM 317 NZ LYS A 22 8.935 -12.352 -8.332 1.00 45.22 N ATOM 0 H LYS A 22 8.285 -8.412 -6.394 1.00 22.04 H new ATOM 0 HA LYS A 22 10.387 -6.360 -6.694 1.00 53.33 H new ATOM 0 HB2 LYS A 22 11.389 -7.758 -8.505 1.00 42.33 H new ATOM 0 HB3 LYS A 22 11.575 -8.447 -6.904 1.00 42.33 H new ATOM 0 HG2 LYS A 22 9.113 -9.320 -8.368 1.00 10.34 H new ATOM 0 HG3 LYS A 22 10.622 -9.839 -9.092 1.00 10.34 H new ATOM 0 HD2 LYS A 22 11.183 -11.216 -7.297 1.00 2.11 H new ATOM 0 HD3 LYS A 22 10.407 -10.181 -6.114 1.00 2.11 H new ATOM 0 HE2 LYS A 22 9.097 -12.189 -6.247 1.00 10.13 H new ATOM 0 HE3 LYS A 22 8.165 -10.916 -7.010 1.00 10.13 H new ATOM 0 HZ1 LYS A 22 8.171 -13.047 -8.206 1.00 45.22 H new ATOM 0 HZ2 LYS A 22 8.715 -11.739 -9.143 1.00 45.22 H new ATOM 0 HZ3 LYS A 22 9.831 -12.850 -8.507 1.00 45.22 H new ATOM 327 N ASN A 23 7.797 -6.059 -7.812 1.00 31.14 N ATOM 328 CA ASN A 23 6.741 -5.511 -8.642 1.00 73.10 C ATOM 329 C ASN A 23 5.604 -5.221 -7.673 1.00 51.20 C ATOM 330 O ASN A 23 4.665 -6.016 -7.583 1.00 41.32 O ATOM 331 CB ASN A 23 6.283 -6.462 -9.784 1.00 64.14 C ATOM 332 CG ASN A 23 6.256 -7.964 -9.486 1.00 52.32 C ATOM 333 OD1 ASN A 23 6.113 -8.378 -8.240 1.00 62.11 O flip ATOM 334 ND2 ASN A 23 6.381 -8.789 -10.384 1.00 21.12 N flip ATOM 0 H ASN A 23 7.554 -6.018 -6.822 1.00 31.14 H new ATOM 0 HA ASN A 23 7.090 -4.623 -9.169 1.00 73.10 H new ATOM 0 HB2 ASN A 23 5.281 -6.162 -10.090 1.00 64.14 H new ATOM 0 HB3 ASN A 23 6.939 -6.301 -10.639 1.00 64.14 H new ATOM 0 HD21 ASN A 23 6.492 -8.479 -11.349 1.00 21.12 H new ATOM 0 HD22 ASN A 23 6.374 -9.785 -10.166 1.00 21.12 H new ATOM 340 N ILE A 24 5.682 -4.139 -6.886 1.00 74.11 N ATOM 341 CA ILE A 24 4.449 -3.618 -6.310 1.00 73.33 C ATOM 342 C ILE A 24 3.861 -2.648 -7.324 1.00 13.41 C ATOM 343 O ILE A 24 4.594 -1.869 -7.942 1.00 73.23 O ATOM 344 CB ILE A 24 4.662 -2.981 -4.923 1.00 52.14 C ATOM 345 CG1 ILE A 24 5.514 -3.835 -3.973 1.00 65.13 C ATOM 346 CG2 ILE A 24 3.317 -2.721 -4.243 1.00 24.22 C ATOM 347 CD1 ILE A 24 5.077 -5.298 -3.933 1.00 31.22 C ATOM 0 H ILE A 24 6.536 -3.636 -6.647 1.00 74.11 H new ATOM 0 HA ILE A 24 3.748 -4.431 -6.120 1.00 73.33 H new ATOM 0 HB ILE A 24 5.200 -2.052 -5.113 1.00 52.14 H new ATOM 0 HG12 ILE A 24 6.558 -3.782 -4.282 1.00 65.13 H new ATOM 0 HG13 ILE A 24 5.458 -3.417 -2.968 1.00 65.13 H new ATOM 0 HG21 ILE A 24 3.485 -2.271 -3.265 1.00 24.22 H new ATOM 0 HG22 ILE A 24 2.724 -2.043 -4.857 1.00 24.22 H new ATOM 0 HG23 ILE A 24 2.782 -3.663 -4.122 1.00 24.22 H new ATOM 0 HD11 ILE A 24 5.717 -5.850 -3.244 1.00 31.22 H new ATOM 0 HD12 ILE A 24 4.042 -5.360 -3.596 1.00 31.22 H new ATOM 0 HD13 ILE A 24 5.160 -5.730 -4.930 1.00 31.22 H new ATOM 358 N LYS A 25 2.542 -2.689 -7.485 1.00 23.12 N ATOM 359 CA LYS A 25 1.742 -1.609 -8.031 1.00 33.15 C ATOM 360 C LYS A 25 0.940 -1.050 -6.864 1.00 51.51 C ATOM 361 O LYS A 25 0.478 -1.817 -6.004 1.00 5.11 O ATOM 362 CB LYS A 25 0.811 -2.188 -9.110 1.00 14.54 C ATOM 363 CG LYS A 25 -0.239 -1.226 -9.656 1.00 32.25 C ATOM 364 CD LYS A 25 0.185 -0.403 -10.856 1.00 52.32 C ATOM 365 CE LYS A 25 -1.003 0.486 -11.182 1.00 72.32 C ATOM 366 NZ LYS A 25 -2.008 -0.160 -12.049 1.00 51.51 N ATOM 0 H LYS A 25 1.986 -3.505 -7.229 1.00 23.12 H new ATOM 0 HA LYS A 25 2.345 -0.826 -8.490 1.00 33.15 H new ATOM 0 HB2 LYS A 25 1.422 -2.541 -9.941 1.00 14.54 H new ATOM 0 HB3 LYS A 25 0.301 -3.058 -8.696 1.00 14.54 H new ATOM 0 HG2 LYS A 25 -1.125 -1.800 -9.927 1.00 32.25 H new ATOM 0 HG3 LYS A 25 -0.532 -0.545 -8.857 1.00 32.25 H new ATOM 0 HD2 LYS A 25 1.070 0.192 -10.630 1.00 52.32 H new ATOM 0 HD3 LYS A 25 0.439 -1.043 -11.701 1.00 52.32 H new ATOM 0 HE2 LYS A 25 -1.482 0.793 -10.252 1.00 72.32 H new ATOM 0 HE3 LYS A 25 -0.644 1.392 -11.670 1.00 72.32 H new ATOM 0 HZ1 LYS A 25 -2.360 0.528 -12.745 1.00 51.51 H new ATOM 0 HZ2 LYS A 25 -1.573 -0.963 -12.546 1.00 51.51 H new ATOM 0 HZ3 LYS A 25 -2.800 -0.501 -11.468 1.00 51.51 H new ATOM 376 N VAL A 26 0.724 0.258 -6.875 1.00 44.22 N ATOM 377 CA VAL A 26 -0.195 0.924 -5.980 1.00 33.42 C ATOM 378 C VAL A 26 -1.185 1.719 -6.842 1.00 2.14 C ATOM 379 O VAL A 26 -0.830 2.197 -7.925 1.00 65.01 O ATOM 380 CB VAL A 26 0.644 1.781 -5.007 1.00 54.40 C ATOM 381 CG1 VAL A 26 0.975 3.154 -5.556 1.00 43.51 C ATOM 382 CG2 VAL A 26 -0.005 2.008 -3.655 1.00 11.43 C ATOM 0 H VAL A 26 1.194 0.892 -7.521 1.00 44.22 H new ATOM 0 HA VAL A 26 -0.788 0.244 -5.368 1.00 33.42 H new ATOM 0 HB VAL A 26 1.546 1.181 -4.886 1.00 54.40 H new ATOM 0 HG11 VAL A 26 1.566 3.706 -4.825 1.00 43.51 H new ATOM 0 HG12 VAL A 26 1.546 3.049 -6.479 1.00 43.51 H new ATOM 0 HG13 VAL A 26 0.052 3.696 -5.760 1.00 43.51 H new ATOM 0 HG21 VAL A 26 0.651 2.619 -3.035 1.00 11.43 H new ATOM 0 HG22 VAL A 26 -0.957 2.521 -3.790 1.00 11.43 H new ATOM 0 HG23 VAL A 26 -0.175 1.048 -3.167 1.00 11.43 H new ATOM 392 N THR A 27 -2.394 1.904 -6.333 1.00 51.52 N ATOM 393 CA THR A 27 -3.437 2.754 -6.882 1.00 13.44 C ATOM 394 C THR A 27 -4.088 3.468 -5.692 1.00 42.51 C ATOM 395 O THR A 27 -4.219 2.867 -4.620 1.00 2.25 O ATOM 396 CB THR A 27 -4.426 1.885 -7.681 1.00 33.13 C ATOM 397 OG1 THR A 27 -3.738 0.996 -8.547 1.00 13.54 O ATOM 398 CG2 THR A 27 -5.336 2.784 -8.515 1.00 23.11 C ATOM 0 H THR A 27 -2.689 1.437 -5.476 1.00 51.52 H new ATOM 0 HA THR A 27 -3.055 3.502 -7.577 1.00 13.44 H new ATOM 0 HB THR A 27 -5.015 1.301 -6.974 1.00 33.13 H new ATOM 0 HG1 THR A 27 -4.387 0.454 -9.042 1.00 13.54 H new ATOM 0 HG21 THR A 27 -6.036 2.169 -9.081 1.00 23.11 H new ATOM 0 HG22 THR A 27 -5.890 3.452 -7.856 1.00 23.11 H new ATOM 0 HG23 THR A 27 -4.732 3.374 -9.205 1.00 23.11 H new ATOM 406 N TRP A 28 -4.437 4.749 -5.831 1.00 30.02 N ATOM 407 CA TRP A 28 -4.999 5.548 -4.738 1.00 61.41 C ATOM 408 C TRP A 28 -6.146 6.443 -5.186 1.00 3.34 C ATOM 409 O TRP A 28 -6.625 7.274 -4.432 1.00 64.31 O ATOM 410 CB TRP A 28 -3.891 6.349 -4.046 1.00 22.23 C ATOM 411 CG TRP A 28 -3.191 7.433 -4.815 1.00 31.43 C ATOM 412 CD1 TRP A 28 -3.433 8.766 -4.794 1.00 45.54 C ATOM 413 CD2 TRP A 28 -2.005 7.270 -5.623 1.00 11.54 C ATOM 414 NE1 TRP A 28 -2.450 9.427 -5.519 1.00 34.21 N ATOM 415 CE2 TRP A 28 -1.477 8.547 -5.958 1.00 5.13 C ATOM 416 CE3 TRP A 28 -1.293 6.136 -6.031 1.00 73.32 C ATOM 417 CZ2 TRP A 28 -0.223 8.677 -6.587 1.00 63.24 C ATOM 418 CZ3 TRP A 28 -0.091 6.260 -6.740 1.00 4.14 C ATOM 419 CH2 TRP A 28 0.466 7.523 -6.992 1.00 2.42 C ATOM 0 H TRP A 28 -4.338 5.263 -6.706 1.00 30.02 H new ATOM 0 HA TRP A 28 -5.432 4.855 -4.017 1.00 61.41 H new ATOM 0 HB2 TRP A 28 -4.321 6.803 -3.153 1.00 22.23 H new ATOM 0 HB3 TRP A 28 -3.133 5.641 -3.710 1.00 22.23 H new ATOM 0 HD1 TRP A 28 -4.262 9.241 -4.291 1.00 45.54 H new ATOM 0 HE1 TRP A 28 -2.446 10.430 -5.704 1.00 34.21 H new ATOM 0 HE3 TRP A 28 -1.675 5.153 -5.796 1.00 73.32 H new ATOM 0 HZ2 TRP A 28 0.204 9.655 -6.756 1.00 63.24 H new ATOM 0 HZ3 TRP A 28 0.412 5.374 -7.097 1.00 4.14 H new ATOM 0 HH2 TRP A 28 1.418 7.607 -7.494 1.00 2.42 H new ATOM 429 N ASN A 29 -6.592 6.341 -6.423 1.00 42.52 N ATOM 430 CA ASN A 29 -7.714 7.089 -6.974 1.00 34.15 C ATOM 431 C ASN A 29 -8.249 6.291 -8.150 1.00 41.34 C ATOM 432 O ASN A 29 -7.764 5.192 -8.427 1.00 72.42 O ATOM 433 CB ASN A 29 -7.270 8.517 -7.371 1.00 22.42 C ATOM 434 CG ASN A 29 -7.950 9.604 -6.546 1.00 44.51 C ATOM 435 OD1 ASN A 29 -8.490 10.561 -7.072 1.00 34.45 O ATOM 436 ND2 ASN A 29 -7.963 9.501 -5.229 1.00 51.40 N ATOM 0 H ASN A 29 -6.167 5.710 -7.102 1.00 42.52 H new ATOM 0 HA ASN A 29 -8.508 7.220 -6.239 1.00 34.15 H new ATOM 0 HB2 ASN A 29 -6.190 8.601 -7.253 1.00 22.42 H new ATOM 0 HB3 ASN A 29 -7.489 8.679 -8.426 1.00 22.42 H new ATOM 0 HD21 ASN A 29 -8.421 10.217 -4.666 1.00 51.40 H new ATOM 0 HD22 ASN A 29 -7.515 8.705 -4.775 1.00 51.40 H new ATOM 442 N ASP A 30 -9.240 6.819 -8.859 1.00 42.51 N ATOM 443 CA ASP A 30 -9.879 6.147 -9.992 1.00 71.44 C ATOM 444 C ASP A 30 -9.022 6.135 -11.269 1.00 3.34 C ATOM 445 O ASP A 30 -9.544 6.050 -12.378 1.00 61.21 O ATOM 446 CB ASP A 30 -11.296 6.714 -10.201 1.00 14.15 C ATOM 447 CG ASP A 30 -12.280 5.617 -10.589 1.00 30.13 C ATOM 448 OD1 ASP A 30 -12.254 4.546 -9.941 1.00 45.10 O ATOM 449 OD2 ASP A 30 -13.172 5.841 -11.429 1.00 12.11 O ATOM 0 H ASP A 30 -9.631 7.740 -8.662 1.00 42.51 H new ATOM 0 HA ASP A 30 -9.974 5.090 -9.744 1.00 71.44 H new ATOM 0 HB2 ASP A 30 -11.634 7.201 -9.286 1.00 14.15 H new ATOM 0 HB3 ASP A 30 -11.274 7.477 -10.979 1.00 14.15 H new ATOM 453 N GLY A 31 -7.695 6.194 -11.113 1.00 13.35 N ATOM 454 CA GLY A 31 -6.698 6.158 -12.175 1.00 43.31 C ATOM 455 C GLY A 31 -5.315 6.640 -11.716 1.00 33.04 C ATOM 456 O GLY A 31 -4.327 6.420 -12.413 1.00 12.32 O ATOM 0 H GLY A 31 -7.270 6.272 -10.189 1.00 13.35 H new ATOM 0 HA2 GLY A 31 -6.615 5.139 -12.553 1.00 43.31 H new ATOM 0 HA3 GLY A 31 -7.036 6.779 -13.005 1.00 43.31 H new ATOM 460 N LYS A 32 -5.195 7.287 -10.547 1.00 53.32 N ATOM 461 CA LYS A 32 -3.897 7.701 -10.028 1.00 61.33 C ATOM 462 C LYS A 32 -3.191 6.472 -9.460 1.00 23.11 C ATOM 463 O LYS A 32 -3.634 5.918 -8.449 1.00 22.12 O ATOM 464 CB LYS A 32 -4.036 8.838 -8.999 1.00 32.42 C ATOM 465 CG LYS A 32 -2.983 9.945 -9.175 1.00 51.12 C ATOM 466 CD LYS A 32 -1.530 9.453 -9.311 1.00 32.43 C ATOM 467 CE LYS A 32 -1.005 9.562 -10.741 1.00 51.11 C ATOM 468 NZ LYS A 32 0.290 8.870 -10.932 1.00 3.51 N ATOM 0 H LYS A 32 -5.984 7.531 -9.949 1.00 53.32 H new ATOM 0 HA LYS A 32 -3.288 8.113 -10.832 1.00 61.33 H new ATOM 0 HB2 LYS A 32 -5.031 9.275 -9.082 1.00 32.42 H new ATOM 0 HB3 LYS A 32 -3.953 8.423 -7.995 1.00 32.42 H new ATOM 0 HG2 LYS A 32 -3.237 10.528 -10.060 1.00 51.12 H new ATOM 0 HG3 LYS A 32 -3.043 10.620 -8.321 1.00 51.12 H new ATOM 0 HD2 LYS A 32 -0.890 10.034 -8.647 1.00 32.43 H new ATOM 0 HD3 LYS A 32 -1.470 8.415 -8.984 1.00 32.43 H new ATOM 0 HE2 LYS A 32 -1.741 9.141 -11.426 1.00 51.11 H new ATOM 0 HE3 LYS A 32 -0.891 10.614 -11.002 1.00 51.11 H new ATOM 0 HZ1 LYS A 32 0.507 8.814 -11.947 1.00 3.51 H new ATOM 0 HZ2 LYS A 32 1.041 9.399 -10.445 1.00 3.51 H new ATOM 0 HZ3 LYS A 32 0.232 7.910 -10.537 1.00 3.51 H new ATOM 478 N GLU A 33 -2.109 6.056 -10.115 1.00 1.24 N ATOM 479 CA GLU A 33 -1.360 4.846 -9.802 1.00 43.51 C ATOM 480 C GLU A 33 0.156 5.112 -9.851 1.00 43.14 C ATOM 481 O GLU A 33 0.563 6.169 -10.343 1.00 13.21 O ATOM 482 CB GLU A 33 -1.696 3.774 -10.843 1.00 22.13 C ATOM 483 CG GLU A 33 -3.162 3.450 -11.146 1.00 24.45 C ATOM 484 CD GLU A 33 -3.398 2.785 -12.501 1.00 34.01 C ATOM 485 OE1 GLU A 33 -2.432 2.300 -13.130 1.00 11.53 O ATOM 486 OE2 GLU A 33 -4.562 2.608 -12.917 1.00 4.51 O ATOM 0 H GLU A 33 -1.719 6.571 -10.904 1.00 1.24 H new ATOM 0 HA GLU A 33 -1.632 4.518 -8.799 1.00 43.51 H new ATOM 0 HB2 GLU A 33 -1.227 4.071 -11.781 1.00 22.13 H new ATOM 0 HB3 GLU A 33 -1.216 2.848 -10.525 1.00 22.13 H new ATOM 0 HG2 GLU A 33 -3.545 2.796 -10.363 1.00 24.45 H new ATOM 0 HG3 GLU A 33 -3.741 4.372 -11.103 1.00 24.45 H new ATOM 491 N GLN A 34 0.983 4.160 -9.387 1.00 44.24 N ATOM 492 CA GLN A 34 2.434 4.058 -9.650 1.00 41.42 C ATOM 493 C GLN A 34 2.932 2.617 -9.394 1.00 10.35 C ATOM 494 O GLN A 34 2.139 1.771 -8.968 1.00 53.52 O ATOM 495 CB GLN A 34 3.257 5.134 -8.895 1.00 62.31 C ATOM 496 CG GLN A 34 3.395 4.981 -7.369 1.00 21.31 C ATOM 497 CD GLN A 34 4.361 3.873 -6.953 1.00 23.35 C ATOM 498 OE1 GLN A 34 3.989 2.800 -6.494 1.00 61.41 O ATOM 499 NE2 GLN A 34 5.631 4.075 -7.226 1.00 63.34 N ATOM 0 H GLN A 34 0.646 3.404 -8.791 1.00 44.24 H new ATOM 0 HA GLN A 34 2.598 4.273 -10.706 1.00 41.42 H new ATOM 0 HB2 GLN A 34 4.259 5.153 -9.323 1.00 62.31 H new ATOM 0 HB3 GLN A 34 2.806 6.106 -9.096 1.00 62.31 H new ATOM 0 HG2 GLN A 34 3.735 5.926 -6.946 1.00 21.31 H new ATOM 0 HG3 GLN A 34 2.413 4.776 -6.942 1.00 21.31 H new ATOM 0 HE21 GLN A 34 5.934 4.971 -7.608 1.00 63.34 H new ATOM 0 HE22 GLN A 34 6.313 3.336 -7.056 1.00 63.34 H new ATOM 506 N THR A 35 4.224 2.322 -9.621 1.00 1.12 N ATOM 507 CA THR A 35 4.841 1.033 -9.272 1.00 70.31 C ATOM 508 C THR A 35 6.241 1.213 -8.668 1.00 71.31 C ATOM 509 O THR A 35 6.894 2.232 -8.926 1.00 53.14 O ATOM 510 CB THR A 35 4.967 0.137 -10.515 1.00 73.04 C ATOM 511 OG1 THR A 35 5.792 0.693 -11.524 1.00 33.34 O ATOM 512 CG2 THR A 35 3.632 -0.149 -11.160 1.00 33.13 C ATOM 0 H THR A 35 4.873 2.978 -10.055 1.00 1.12 H new ATOM 0 HA THR A 35 4.190 0.567 -8.532 1.00 70.31 H new ATOM 0 HB THR A 35 5.414 -0.779 -10.129 1.00 73.04 H new ATOM 0 HG1 THR A 35 5.835 0.079 -12.286 1.00 33.34 H new ATOM 0 HG21 THR A 35 3.778 -0.785 -12.033 1.00 33.13 H new ATOM 0 HG22 THR A 35 2.984 -0.656 -10.445 1.00 33.13 H new ATOM 0 HG23 THR A 35 3.169 0.788 -11.468 1.00 33.13 H new ATOM 520 N VAL A 36 6.754 0.214 -7.942 1.00 22.21 N ATOM 521 CA VAL A 36 8.055 0.225 -7.310 1.00 73.24 C ATOM 522 C VAL A 36 8.978 -0.825 -7.946 1.00 43.50 C ATOM 523 O VAL A 36 8.503 -1.748 -8.620 1.00 74.32 O ATOM 524 CB VAL A 36 7.846 0.010 -5.802 1.00 1.42 C ATOM 525 CG1 VAL A 36 6.701 0.841 -5.189 1.00 2.51 C ATOM 526 CG2 VAL A 36 7.794 -1.440 -5.344 1.00 33.24 C ATOM 0 H VAL A 36 6.245 -0.654 -7.779 1.00 22.21 H new ATOM 0 HA VAL A 36 8.555 1.182 -7.459 1.00 73.24 H new ATOM 0 HB VAL A 36 8.775 0.407 -5.393 1.00 1.42 H new ATOM 0 HG11 VAL A 36 6.626 0.626 -4.123 1.00 2.51 H new ATOM 0 HG12 VAL A 36 6.905 1.902 -5.332 1.00 2.51 H new ATOM 0 HG13 VAL A 36 5.762 0.583 -5.678 1.00 2.51 H new ATOM 0 HG21 VAL A 36 7.644 -1.476 -4.265 1.00 33.24 H new ATOM 0 HG22 VAL A 36 6.969 -1.950 -5.842 1.00 33.24 H new ATOM 0 HG23 VAL A 36 8.732 -1.935 -5.596 1.00 33.24 H new ATOM 536 N ASN A 37 10.287 -0.726 -7.682 1.00 61.31 N ATOM 537 CA ASN A 37 11.273 -1.732 -8.072 1.00 3.34 C ATOM 538 C ASN A 37 11.088 -3.006 -7.237 1.00 32.24 C ATOM 539 O ASN A 37 10.343 -3.906 -7.631 1.00 2.34 O ATOM 540 CB ASN A 37 12.707 -1.169 -7.935 1.00 31.33 C ATOM 541 CG ASN A 37 13.773 -2.259 -8.023 1.00 62.31 C ATOM 542 OD1 ASN A 37 13.707 -3.135 -8.876 1.00 12.41 O ATOM 543 ND2 ASN A 37 14.716 -2.303 -7.100 1.00 55.20 N ATOM 0 H ASN A 37 10.693 0.067 -7.185 1.00 61.31 H new ATOM 0 HA ASN A 37 11.119 -1.991 -9.120 1.00 3.34 H new ATOM 0 HB2 ASN A 37 12.881 -0.431 -8.718 1.00 31.33 H new ATOM 0 HB3 ASN A 37 12.801 -0.650 -6.981 1.00 31.33 H new ATOM 0 HD21 ASN A 37 15.391 -3.068 -7.097 1.00 55.20 H new ATOM 0 HD22 ASN A 37 14.769 -1.572 -6.390 1.00 55.20 H new ATOM 549 N THR A 38 11.699 -3.073 -6.056 1.00 51.43 N ATOM 550 CA THR A 38 11.879 -4.281 -5.269 1.00 74.32 C ATOM 551 C THR A 38 11.856 -3.878 -3.794 1.00 22.14 C ATOM 552 O THR A 38 12.233 -2.758 -3.443 1.00 52.51 O ATOM 553 CB THR A 38 13.160 -5.023 -5.709 1.00 43.12 C ATOM 554 OG1 THR A 38 13.107 -5.368 -7.091 1.00 14.24 O ATOM 555 CG2 THR A 38 13.410 -6.328 -4.950 1.00 31.32 C ATOM 0 H THR A 38 12.098 -2.249 -5.606 1.00 51.43 H new ATOM 0 HA THR A 38 11.074 -4.998 -5.430 1.00 74.32 H new ATOM 0 HB THR A 38 13.965 -4.320 -5.493 1.00 43.12 H new ATOM 0 HG1 THR A 38 13.662 -4.745 -7.605 1.00 14.24 H new ATOM 0 HG21 THR A 38 14.327 -6.791 -5.315 1.00 31.32 H new ATOM 0 HG22 THR A 38 13.509 -6.116 -3.885 1.00 31.32 H new ATOM 0 HG23 THR A 38 12.573 -7.007 -5.109 1.00 31.32 H new ATOM 563 N LEU A 39 11.357 -4.777 -2.947 1.00 54.31 N ATOM 564 CA LEU A 39 11.141 -4.588 -1.531 1.00 61.21 C ATOM 565 C LEU A 39 11.578 -5.869 -0.852 1.00 40.51 C ATOM 566 O LEU A 39 11.032 -6.951 -1.078 1.00 22.13 O ATOM 567 CB LEU A 39 9.664 -4.280 -1.237 1.00 4.54 C ATOM 568 CG LEU A 39 9.378 -2.959 -0.535 1.00 22.03 C ATOM 569 CD1 LEU A 39 9.611 -2.987 0.956 1.00 44.12 C ATOM 570 CD2 LEU A 39 10.111 -1.730 -1.073 1.00 71.01 C ATOM 0 H LEU A 39 11.080 -5.708 -3.259 1.00 54.31 H new ATOM 0 HA LEU A 39 11.713 -3.738 -1.158 1.00 61.21 H new ATOM 0 HB2 LEU A 39 9.118 -4.292 -2.180 1.00 4.54 H new ATOM 0 HB3 LEU A 39 9.261 -5.087 -0.625 1.00 4.54 H new ATOM 0 HG LEU A 39 8.317 -2.853 -0.761 1.00 22.03 H new ATOM 0 HD11 LEU A 39 9.384 -2.008 1.378 1.00 44.12 H new ATOM 0 HD12 LEU A 39 8.964 -3.737 1.411 1.00 44.12 H new ATOM 0 HD13 LEU A 39 10.653 -3.236 1.157 1.00 44.12 H new ATOM 0 HD21 LEU A 39 9.825 -0.853 -0.493 1.00 71.01 H new ATOM 0 HD22 LEU A 39 11.187 -1.884 -0.992 1.00 71.01 H new ATOM 0 HD23 LEU A 39 9.844 -1.576 -2.119 1.00 71.01 H new ATOM 581 N GLY A 40 12.582 -5.694 -0.017 1.00 14.52 N ATOM 582 CA GLY A 40 13.214 -6.729 0.762 1.00 40.53 C ATOM 583 C GLY A 40 12.321 -7.182 1.911 1.00 34.41 C ATOM 584 O GLY A 40 11.206 -6.684 2.096 1.00 73.24 O ATOM 0 H GLY A 40 12.998 -4.776 0.142 1.00 14.52 H new ATOM 0 HA2 GLY A 40 13.445 -7.580 0.121 1.00 40.53 H new ATOM 0 HA3 GLY A 40 14.161 -6.362 1.158 1.00 40.53 H new ATOM 588 N SER A 41 12.796 -8.143 2.691 1.00 72.02 N ATOM 589 CA SER A 41 12.050 -8.698 3.806 1.00 72.41 C ATOM 590 C SER A 41 12.004 -7.674 4.941 1.00 13.31 C ATOM 591 O SER A 41 13.061 -7.257 5.414 1.00 40.23 O ATOM 592 CB SER A 41 12.724 -9.998 4.245 1.00 21.32 C ATOM 593 OG SER A 41 13.134 -10.748 3.110 1.00 21.24 O ATOM 0 H SER A 41 13.718 -8.561 2.565 1.00 72.02 H new ATOM 0 HA SER A 41 11.023 -8.922 3.516 1.00 72.41 H new ATOM 0 HB2 SER A 41 13.587 -9.775 4.873 1.00 21.32 H new ATOM 0 HB3 SER A 41 12.034 -10.587 4.849 1.00 21.32 H new ATOM 0 HG SER A 41 13.566 -11.577 3.404 1.00 21.24 H new ATOM 598 N HIS A 42 10.794 -7.271 5.352 1.00 23.44 N ATOM 599 CA HIS A 42 10.528 -6.171 6.283 1.00 2.31 C ATOM 600 C HIS A 42 11.042 -4.817 5.776 1.00 64.13 C ATOM 601 O HIS A 42 11.144 -3.866 6.554 1.00 52.34 O ATOM 602 CB HIS A 42 10.976 -6.527 7.712 1.00 13.14 C ATOM 603 CG HIS A 42 9.969 -7.372 8.447 1.00 15.32 C ATOM 604 ND1 HIS A 42 9.231 -6.955 9.532 1.00 15.22 N ATOM 605 CD2 HIS A 42 9.638 -8.675 8.194 1.00 35.01 C ATOM 606 CE1 HIS A 42 8.491 -7.995 9.955 1.00 12.15 C ATOM 607 NE2 HIS A 42 8.728 -9.070 9.182 1.00 22.15 N ATOM 0 H HIS A 42 9.939 -7.723 5.030 1.00 23.44 H new ATOM 0 HA HIS A 42 9.447 -6.038 6.333 1.00 2.31 H new ATOM 0 HB2 HIS A 42 11.926 -7.059 7.668 1.00 13.14 H new ATOM 0 HB3 HIS A 42 11.151 -5.609 8.272 1.00 13.14 H new ATOM 0 HD2 HIS A 42 10.009 -9.285 7.384 1.00 35.01 H new ATOM 0 HE1 HIS A 42 7.808 -7.971 10.791 1.00 12.15 H new ATOM 0 HE2 HIS A 42 8.321 -9.999 9.294 1.00 22.15 H new ATOM 614 N ASP A 43 11.317 -4.687 4.477 1.00 42.50 N ATOM 615 CA ASP A 43 11.673 -3.411 3.871 1.00 41.11 C ATOM 616 C ASP A 43 10.467 -2.481 3.838 1.00 43.42 C ATOM 617 O ASP A 43 9.324 -2.890 4.083 1.00 71.22 O ATOM 618 CB ASP A 43 12.373 -3.607 2.521 1.00 74.32 C ATOM 619 CG ASP A 43 13.824 -4.064 2.611 1.00 74.33 C ATOM 620 OD1 ASP A 43 14.209 -4.839 3.506 1.00 71.12 O ATOM 621 OD2 ASP A 43 14.567 -3.731 1.667 1.00 34.23 O ATOM 0 H ASP A 43 11.298 -5.466 3.819 1.00 42.50 H new ATOM 0 HA ASP A 43 12.414 -2.908 4.493 1.00 41.11 H new ATOM 0 HB2 ASP A 43 11.812 -4.339 1.940 1.00 74.32 H new ATOM 0 HB3 ASP A 43 12.337 -2.667 1.970 1.00 74.32 H new ATOM 625 N SER A 44 10.719 -1.218 3.491 1.00 2.24 N ATOM 626 CA SER A 44 9.653 -0.267 3.215 1.00 60.33 C ATOM 627 C SER A 44 10.089 0.836 2.237 1.00 64.13 C ATOM 628 O SER A 44 11.280 1.059 2.007 1.00 55.11 O ATOM 629 CB SER A 44 9.102 0.265 4.547 1.00 24.41 C ATOM 630 OG SER A 44 10.099 0.607 5.498 1.00 12.14 O ATOM 0 H SER A 44 11.659 -0.833 3.395 1.00 2.24 H new ATOM 0 HA SER A 44 8.840 -0.774 2.695 1.00 60.33 H new ATOM 0 HB2 SER A 44 8.490 1.145 4.348 1.00 24.41 H new ATOM 0 HB3 SER A 44 8.445 -0.489 4.982 1.00 24.41 H new ATOM 0 HG SER A 44 9.747 0.474 6.403 1.00 12.14 H new ATOM 635 N ILE A 45 9.122 1.546 1.653 1.00 61.11 N ATOM 636 CA ILE A 45 9.316 2.631 0.688 1.00 64.21 C ATOM 637 C ILE A 45 8.226 3.677 0.946 1.00 13.23 C ATOM 638 O ILE A 45 7.149 3.325 1.422 1.00 43.24 O ATOM 639 CB ILE A 45 9.326 2.054 -0.753 1.00 55.20 C ATOM 640 CG1 ILE A 45 9.613 3.130 -1.822 1.00 74.14 C ATOM 641 CG2 ILE A 45 8.038 1.281 -1.093 1.00 44.10 C ATOM 642 CD1 ILE A 45 9.822 2.543 -3.225 1.00 14.11 C ATOM 0 H ILE A 45 8.136 1.372 1.849 1.00 61.11 H new ATOM 0 HA ILE A 45 10.280 3.126 0.805 1.00 64.21 H new ATOM 0 HB ILE A 45 10.151 1.342 -0.772 1.00 55.20 H new ATOM 0 HG12 ILE A 45 8.783 3.836 -1.850 1.00 74.14 H new ATOM 0 HG13 ILE A 45 10.501 3.692 -1.534 1.00 74.14 H new ATOM 0 HG21 ILE A 45 8.101 0.900 -2.112 1.00 44.10 H new ATOM 0 HG22 ILE A 45 7.921 0.447 -0.401 1.00 44.10 H new ATOM 0 HG23 ILE A 45 7.180 1.948 -1.007 1.00 44.10 H new ATOM 0 HD11 ILE A 45 10.020 3.350 -3.931 1.00 14.11 H new ATOM 0 HD12 ILE A 45 10.670 1.858 -3.210 1.00 14.11 H new ATOM 0 HD13 ILE A 45 8.925 2.004 -3.531 1.00 14.11 H new ATOM 653 N ASP A 46 8.490 4.947 0.630 1.00 4.11 N ATOM 654 CA ASP A 46 7.614 6.102 0.863 1.00 60.23 C ATOM 655 C ASP A 46 7.631 6.910 -0.420 1.00 11.42 C ATOM 656 O ASP A 46 8.701 7.085 -1.012 1.00 42.11 O ATOM 657 CB ASP A 46 8.155 6.934 2.033 1.00 24.13 C ATOM 658 CG ASP A 46 7.328 8.096 2.554 1.00 2.31 C ATOM 659 OD1 ASP A 46 6.307 7.865 3.237 1.00 44.20 O ATOM 660 OD2 ASP A 46 7.881 9.222 2.580 1.00 4.22 O ATOM 0 H ASP A 46 9.366 5.213 0.181 1.00 4.11 H new ATOM 0 HA ASP A 46 6.599 5.797 1.119 1.00 60.23 H new ATOM 0 HB2 ASP A 46 8.330 6.254 2.867 1.00 24.13 H new ATOM 0 HB3 ASP A 46 9.126 7.329 1.735 1.00 24.13 H new ATOM 664 N PHE A 47 6.469 7.336 -0.892 1.00 40.24 N ATOM 665 CA PHE A 47 6.343 8.120 -2.120 1.00 20.15 C ATOM 666 C PHE A 47 5.129 9.043 -2.076 1.00 31.14 C ATOM 667 O PHE A 47 4.094 8.713 -1.498 1.00 12.22 O ATOM 668 CB PHE A 47 6.295 7.212 -3.353 1.00 44.21 C ATOM 669 CG PHE A 47 5.322 6.063 -3.266 1.00 52.11 C ATOM 670 CD1 PHE A 47 3.990 6.242 -3.666 1.00 71.10 C ATOM 671 CD2 PHE A 47 5.758 4.817 -2.779 1.00 31.33 C ATOM 672 CE1 PHE A 47 3.089 5.173 -3.563 1.00 5.32 C ATOM 673 CE2 PHE A 47 4.855 3.748 -2.672 1.00 72.12 C ATOM 674 CZ PHE A 47 3.518 3.932 -3.055 1.00 71.44 C ATOM 0 H PHE A 47 5.578 7.148 -0.433 1.00 40.24 H new ATOM 0 HA PHE A 47 7.231 8.748 -2.196 1.00 20.15 H new ATOM 0 HB2 PHE A 47 6.039 7.819 -4.222 1.00 44.21 H new ATOM 0 HB3 PHE A 47 7.293 6.810 -3.528 1.00 44.21 H new ATOM 0 HD1 PHE A 47 3.661 7.196 -4.050 1.00 71.10 H new ATOM 0 HD2 PHE A 47 6.789 4.683 -2.487 1.00 31.33 H new ATOM 0 HE1 PHE A 47 2.063 5.302 -3.874 1.00 5.32 H new ATOM 0 HE2 PHE A 47 5.187 2.791 -2.298 1.00 72.12 H new ATOM 0 HZ PHE A 47 2.815 3.118 -2.960 1.00 71.44 H new ATOM 683 N SER A 48 5.246 10.207 -2.708 1.00 43.51 N ATOM 684 CA SER A 48 4.199 11.208 -2.791 1.00 64.34 C ATOM 685 C SER A 48 2.997 10.651 -3.561 1.00 22.33 C ATOM 686 O SER A 48 3.150 10.000 -4.599 1.00 1.22 O ATOM 687 CB SER A 48 4.760 12.469 -3.466 1.00 14.54 C ATOM 688 OG SER A 48 4.685 13.577 -2.589 1.00 31.45 O ATOM 0 H SER A 48 6.101 10.484 -3.190 1.00 43.51 H new ATOM 0 HA SER A 48 3.857 11.471 -1.790 1.00 64.34 H new ATOM 0 HB2 SER A 48 5.796 12.301 -3.760 1.00 14.54 H new ATOM 0 HB3 SER A 48 4.200 12.680 -4.377 1.00 14.54 H new ATOM 0 HG SER A 48 5.048 14.371 -3.034 1.00 31.45 H new ATOM 693 N SER A 49 1.800 10.967 -3.072 1.00 63.41 N ATOM 694 CA SER A 49 0.563 10.887 -3.822 1.00 11.54 C ATOM 695 C SER A 49 0.491 12.166 -4.651 1.00 70.14 C ATOM 696 O SER A 49 0.849 13.244 -4.169 1.00 2.14 O ATOM 697 CB SER A 49 -0.591 10.786 -2.817 1.00 14.14 C ATOM 698 OG SER A 49 -1.819 11.302 -3.286 1.00 70.40 O ATOM 0 H SER A 49 1.667 11.294 -2.115 1.00 63.41 H new ATOM 0 HA SER A 49 0.506 10.021 -4.481 1.00 11.54 H new ATOM 0 HB2 SER A 49 -0.730 9.739 -2.546 1.00 14.14 H new ATOM 0 HB3 SER A 49 -0.312 11.317 -1.907 1.00 14.14 H new ATOM 0 HG SER A 49 -2.259 11.803 -2.568 1.00 70.40 H new ATOM 703 N ASP A 50 -0.040 12.081 -5.870 1.00 53.30 N ATOM 704 CA ASP A 50 -0.255 13.228 -6.756 1.00 4.43 C ATOM 705 C ASP A 50 -1.546 13.981 -6.427 1.00 72.04 C ATOM 706 O ASP A 50 -2.208 14.538 -7.306 1.00 12.22 O ATOM 707 CB ASP A 50 -0.200 12.800 -8.226 1.00 41.44 C ATOM 708 CG ASP A 50 0.019 14.010 -9.136 1.00 61.01 C ATOM 709 OD1 ASP A 50 0.915 14.834 -8.839 1.00 43.32 O ATOM 710 OD2 ASP A 50 -0.685 14.114 -10.165 1.00 24.35 O ATOM 0 H ASP A 50 -0.339 11.196 -6.279 1.00 53.30 H new ATOM 0 HA ASP A 50 0.560 13.931 -6.584 1.00 4.43 H new ATOM 0 HB2 ASP A 50 0.606 12.080 -8.370 1.00 41.44 H new ATOM 0 HB3 ASP A 50 -1.128 12.298 -8.498 1.00 41.44 H new ATOM 714 N ALA A 51 -1.950 13.960 -5.154 1.00 50.34 N ATOM 715 CA ALA A 51 -3.114 14.672 -4.666 1.00 53.51 C ATOM 716 C ALA A 51 -2.879 15.179 -3.242 1.00 23.34 C ATOM 717 O ALA A 51 -1.947 14.746 -2.553 1.00 30.23 O ATOM 718 CB ALA A 51 -4.325 13.743 -4.726 1.00 65.00 C ATOM 0 H ALA A 51 -1.462 13.436 -4.428 1.00 50.34 H new ATOM 0 HA ALA A 51 -3.300 15.543 -5.295 1.00 53.51 H new ATOM 0 HB1 ALA A 51 -5.206 14.270 -4.361 1.00 65.00 H new ATOM 0 HB2 ALA A 51 -4.492 13.428 -5.756 1.00 65.00 H new ATOM 0 HB3 ALA A 51 -4.142 12.867 -4.104 1.00 65.00 H new ATOM 724 N GLY A 52 -3.761 16.062 -2.788 1.00 71.44 N ATOM 725 CA GLY A 52 -3.808 16.565 -1.426 1.00 13.23 C ATOM 726 C GLY A 52 -4.467 15.586 -0.465 1.00 50.12 C ATOM 727 O GLY A 52 -4.101 15.505 0.706 1.00 34.21 O ATOM 0 H GLY A 52 -4.488 16.460 -3.382 1.00 71.44 H new ATOM 0 HA2 GLY A 52 -2.795 16.777 -1.085 1.00 13.23 H new ATOM 0 HA3 GLY A 52 -4.354 17.508 -1.409 1.00 13.23 H new ATOM 731 N SER A 53 -5.436 14.825 -0.955 1.00 31.11 N ATOM 732 CA SER A 53 -6.410 14.099 -0.159 1.00 62.23 C ATOM 733 C SER A 53 -6.747 12.801 -0.897 1.00 71.34 C ATOM 734 O SER A 53 -6.540 12.725 -2.110 1.00 3.15 O ATOM 735 CB SER A 53 -7.651 14.997 0.039 1.00 13.34 C ATOM 736 OG SER A 53 -7.676 16.174 -0.770 1.00 5.34 O ATOM 0 H SER A 53 -5.568 14.693 -1.958 1.00 31.11 H new ATOM 0 HA SER A 53 -6.024 13.844 0.828 1.00 62.23 H new ATOM 0 HB2 SER A 53 -8.544 14.409 -0.172 1.00 13.34 H new ATOM 0 HB3 SER A 53 -7.704 15.293 1.087 1.00 13.34 H new ATOM 0 HG SER A 53 -8.493 16.682 -0.584 1.00 5.34 H new ATOM 741 N VAL A 54 -7.235 11.774 -0.200 1.00 2.22 N ATOM 742 CA VAL A 54 -7.626 10.488 -0.763 1.00 22.43 C ATOM 743 C VAL A 54 -8.475 9.725 0.262 1.00 25.24 C ATOM 744 O VAL A 54 -8.401 10.002 1.466 1.00 61.41 O ATOM 745 CB VAL A 54 -6.357 9.723 -1.205 1.00 1.51 C ATOM 746 CG1 VAL A 54 -5.229 9.671 -0.168 1.00 25.23 C ATOM 747 CG2 VAL A 54 -6.642 8.312 -1.719 1.00 64.13 C ATOM 0 H VAL A 54 -7.373 11.820 0.810 1.00 2.22 H new ATOM 0 HA VAL A 54 -8.245 10.615 -1.651 1.00 22.43 H new ATOM 0 HB VAL A 54 -5.998 10.334 -2.033 1.00 1.51 H new ATOM 0 HG11 VAL A 54 -4.386 9.113 -0.575 1.00 25.23 H new ATOM 0 HG12 VAL A 54 -4.910 10.685 0.074 1.00 25.23 H new ATOM 0 HG13 VAL A 54 -5.588 9.178 0.736 1.00 25.23 H new ATOM 0 HG21 VAL A 54 -5.706 7.835 -2.011 1.00 64.13 H new ATOM 0 HG22 VAL A 54 -7.117 7.727 -0.931 1.00 64.13 H new ATOM 0 HG23 VAL A 54 -7.306 8.366 -2.582 1.00 64.13 H new ATOM 757 N TYR A 55 -9.268 8.762 -0.223 1.00 24.34 N ATOM 758 CA TYR A 55 -10.164 7.920 0.567 1.00 11.42 C ATOM 759 C TYR A 55 -10.251 6.466 0.071 1.00 12.15 C ATOM 760 O TYR A 55 -11.034 5.697 0.627 1.00 65.13 O ATOM 761 CB TYR A 55 -11.553 8.569 0.618 1.00 11.25 C ATOM 762 CG TYR A 55 -12.075 9.102 -0.714 1.00 52.20 C ATOM 763 CD1 TYR A 55 -12.233 8.250 -1.829 1.00 14.54 C ATOM 764 CD2 TYR A 55 -12.370 10.471 -0.856 1.00 32.33 C ATOM 765 CE1 TYR A 55 -12.642 8.762 -3.074 1.00 11.35 C ATOM 766 CE2 TYR A 55 -12.804 10.983 -2.092 1.00 3.35 C ATOM 767 CZ TYR A 55 -12.921 10.140 -3.214 1.00 1.21 C ATOM 768 OH TYR A 55 -13.305 10.657 -4.412 1.00 23.11 O ATOM 0 H TYR A 55 -9.302 8.542 -1.218 1.00 24.34 H new ATOM 0 HA TYR A 55 -9.742 7.854 1.570 1.00 11.42 H new ATOM 0 HB2 TYR A 55 -12.264 7.837 1.001 1.00 11.25 H new ATOM 0 HB3 TYR A 55 -11.526 9.391 1.333 1.00 11.25 H new ATOM 0 HD1 TYR A 55 -12.038 7.193 -1.725 1.00 14.54 H new ATOM 0 HD2 TYR A 55 -12.262 11.133 -0.010 1.00 32.33 H new ATOM 0 HE1 TYR A 55 -12.743 8.102 -3.923 1.00 11.35 H new ATOM 0 HE2 TYR A 55 -13.049 12.031 -2.181 1.00 3.35 H new ATOM 0 HH TYR A 55 -13.455 11.621 -4.319 1.00 23.11 H new ATOM 777 N LYS A 56 -9.506 6.058 -0.966 1.00 11.34 N ATOM 778 CA LYS A 56 -9.510 4.672 -1.440 1.00 44.22 C ATOM 779 C LYS A 56 -8.129 4.296 -1.952 1.00 74.33 C ATOM 780 O LYS A 56 -7.352 5.179 -2.305 1.00 45.10 O ATOM 781 CB LYS A 56 -10.608 4.450 -2.491 1.00 71.10 C ATOM 782 CG LYS A 56 -10.261 4.909 -3.916 1.00 25.03 C ATOM 783 CD LYS A 56 -11.461 4.743 -4.860 1.00 54.21 C ATOM 784 CE LYS A 56 -11.007 4.683 -6.321 1.00 2.22 C ATOM 785 NZ LYS A 56 -12.152 4.553 -7.244 1.00 1.35 N ATOM 0 H LYS A 56 -8.889 6.676 -1.494 1.00 11.34 H new ATOM 0 HA LYS A 56 -9.745 4.010 -0.607 1.00 44.22 H new ATOM 0 HB2 LYS A 56 -10.851 3.388 -2.519 1.00 71.10 H new ATOM 0 HB3 LYS A 56 -11.507 4.974 -2.168 1.00 71.10 H new ATOM 0 HG2 LYS A 56 -9.950 5.954 -3.899 1.00 25.03 H new ATOM 0 HG3 LYS A 56 -9.417 4.331 -4.292 1.00 25.03 H new ATOM 0 HD2 LYS A 56 -12.004 3.832 -4.607 1.00 54.21 H new ATOM 0 HD3 LYS A 56 -12.152 5.575 -4.724 1.00 54.21 H new ATOM 0 HE2 LYS A 56 -10.444 5.584 -6.564 1.00 2.22 H new ATOM 0 HE3 LYS A 56 -10.332 3.838 -6.458 1.00 2.22 H new ATOM 0 HZ1 LYS A 56 -11.832 4.719 -8.220 1.00 1.35 H new ATOM 0 HZ2 LYS A 56 -12.552 3.596 -7.169 1.00 1.35 H new ATOM 0 HZ3 LYS A 56 -12.880 5.253 -6.995 1.00 1.35 H new ATOM 795 N MET A 57 -7.834 3.002 -1.971 1.00 73.02 N ATOM 796 CA MET A 57 -6.523 2.464 -2.292 1.00 70.10 C ATOM 797 C MET A 57 -6.704 1.015 -2.744 1.00 74.44 C ATOM 798 O MET A 57 -7.556 0.333 -2.190 1.00 1.34 O ATOM 799 CB MET A 57 -5.683 2.617 -1.017 1.00 41.53 C ATOM 800 CG MET A 57 -4.238 2.207 -1.198 1.00 64.11 C ATOM 801 SD MET A 57 -3.113 3.035 -0.041 1.00 45.52 S ATOM 802 CE MET A 57 -2.402 4.255 -1.177 1.00 13.55 C ATOM 0 H MET A 57 -8.522 2.280 -1.757 1.00 73.02 H new ATOM 0 HA MET A 57 -6.013 2.979 -3.106 1.00 70.10 H new ATOM 0 HB2 MET A 57 -5.720 3.656 -0.689 1.00 41.53 H new ATOM 0 HB3 MET A 57 -6.127 2.016 -0.224 1.00 41.53 H new ATOM 0 HG2 MET A 57 -4.154 1.128 -1.068 1.00 64.11 H new ATOM 0 HG3 MET A 57 -3.928 2.430 -2.219 1.00 64.11 H new ATOM 0 HE1 MET A 57 -1.814 4.979 -0.612 1.00 13.55 H new ATOM 0 HE2 MET A 57 -1.760 3.750 -1.898 1.00 13.55 H new ATOM 0 HE3 MET A 57 -3.204 4.772 -1.705 1.00 13.55 H new ATOM 810 N ASP A 58 -5.979 0.541 -3.756 1.00 11.22 N ATOM 811 CA ASP A 58 -6.231 -0.761 -4.391 1.00 71.43 C ATOM 812 C ASP A 58 -4.897 -1.339 -4.855 1.00 73.34 C ATOM 813 O ASP A 58 -4.405 -1.018 -5.945 1.00 41.10 O ATOM 814 CB ASP A 58 -7.195 -0.598 -5.584 1.00 12.21 C ATOM 815 CG ASP A 58 -8.630 -1.125 -5.452 1.00 51.54 C ATOM 816 OD1 ASP A 58 -9.320 -0.968 -4.419 1.00 50.31 O ATOM 817 OD2 ASP A 58 -9.155 -1.537 -6.514 1.00 71.30 O ATOM 0 H ASP A 58 -5.194 1.049 -4.164 1.00 11.22 H new ATOM 0 HA ASP A 58 -6.697 -1.439 -3.676 1.00 71.43 H new ATOM 0 HB2 ASP A 58 -7.254 0.465 -5.818 1.00 12.21 H new ATOM 0 HB3 ASP A 58 -6.741 -1.089 -6.445 1.00 12.21 H new ATOM 821 N VAL A 59 -4.271 -2.144 -4.001 1.00 51.24 N ATOM 822 CA VAL A 59 -2.875 -2.514 -4.190 1.00 73.01 C ATOM 823 C VAL A 59 -2.846 -3.736 -5.116 1.00 30.31 C ATOM 824 O VAL A 59 -3.836 -4.477 -5.183 1.00 51.40 O ATOM 825 CB VAL A 59 -2.224 -2.888 -2.850 1.00 22.21 C ATOM 826 CG1 VAL A 59 -2.603 -2.011 -1.655 1.00 11.25 C ATOM 827 CG2 VAL A 59 -2.119 -4.362 -2.474 1.00 72.32 C ATOM 0 H VAL A 59 -4.708 -2.551 -3.174 1.00 51.24 H new ATOM 0 HA VAL A 59 -2.325 -1.675 -4.615 1.00 73.01 H new ATOM 0 HB VAL A 59 -1.198 -2.633 -3.114 1.00 22.21 H new ATOM 0 HG11 VAL A 59 -2.085 -2.367 -0.764 1.00 11.25 H new ATOM 0 HG12 VAL A 59 -2.314 -0.979 -1.855 1.00 11.25 H new ATOM 0 HG13 VAL A 59 -3.680 -2.062 -1.494 1.00 11.25 H new ATOM 0 HG21 VAL A 59 -1.636 -4.456 -1.501 1.00 72.32 H new ATOM 0 HG22 VAL A 59 -3.117 -4.798 -2.427 1.00 72.32 H new ATOM 0 HG23 VAL A 59 -1.528 -4.888 -3.224 1.00 72.32 H new ATOM 837 N THR A 60 -1.709 -4.053 -5.744 1.00 43.33 N ATOM 838 CA THR A 60 -1.578 -5.330 -6.443 1.00 10.32 C ATOM 839 C THR A 60 -0.091 -5.616 -6.658 1.00 53.40 C ATOM 840 O THR A 60 0.544 -5.083 -7.571 1.00 22.35 O ATOM 841 CB THR A 60 -2.494 -5.379 -7.688 1.00 44.14 C ATOM 842 OG1 THR A 60 -2.030 -6.250 -8.688 1.00 2.42 O ATOM 843 CG2 THR A 60 -2.775 -4.023 -8.319 1.00 64.33 C ATOM 0 H THR A 60 -0.883 -3.455 -5.782 1.00 43.33 H new ATOM 0 HA THR A 60 -1.948 -6.165 -5.847 1.00 10.32 H new ATOM 0 HB THR A 60 -3.429 -5.763 -7.281 1.00 44.14 H new ATOM 0 HG1 THR A 60 -2.546 -6.110 -9.509 1.00 2.42 H new ATOM 0 HG21 THR A 60 -3.425 -4.152 -9.185 1.00 64.33 H new ATOM 0 HG22 THR A 60 -3.265 -3.377 -7.591 1.00 64.33 H new ATOM 0 HG23 THR A 60 -1.837 -3.567 -8.634 1.00 64.33 H new ATOM 851 N GLY A 61 0.498 -6.406 -5.761 1.00 30.02 N ATOM 852 CA GLY A 61 1.911 -6.786 -5.823 1.00 10.51 C ATOM 853 C GLY A 61 2.078 -8.270 -6.140 1.00 74.40 C ATOM 854 O GLY A 61 1.083 -8.988 -6.262 1.00 5.54 O ATOM 0 H GLY A 61 0.004 -6.805 -4.963 1.00 30.02 H new ATOM 0 HA2 GLY A 61 2.416 -6.191 -6.584 1.00 10.51 H new ATOM 0 HA3 GLY A 61 2.392 -6.560 -4.871 1.00 10.51 H new ATOM 858 N THR A 62 3.311 -8.757 -6.325 1.00 64.44 N ATOM 859 CA THR A 62 3.566 -10.191 -6.516 1.00 12.11 C ATOM 860 C THR A 62 4.859 -10.643 -5.797 1.00 2.55 C ATOM 861 O THR A 62 5.842 -9.892 -5.732 1.00 32.13 O ATOM 862 CB THR A 62 3.531 -10.526 -8.027 1.00 54.11 C ATOM 863 OG1 THR A 62 2.398 -9.919 -8.641 1.00 45.43 O ATOM 864 CG2 THR A 62 3.495 -12.018 -8.374 1.00 13.34 C ATOM 0 H THR A 62 4.150 -8.178 -6.347 1.00 64.44 H new ATOM 0 HA THR A 62 2.773 -10.771 -6.043 1.00 12.11 H new ATOM 0 HB THR A 62 4.475 -10.133 -8.405 1.00 54.11 H new ATOM 0 HG1 THR A 62 2.388 -10.137 -9.596 1.00 45.43 H new ATOM 0 HG21 THR A 62 3.472 -12.139 -9.457 1.00 13.34 H new ATOM 0 HG22 THR A 62 4.383 -12.506 -7.973 1.00 13.34 H new ATOM 0 HG23 THR A 62 2.604 -12.471 -7.939 1.00 13.34 H new ATOM 872 N THR A 63 4.825 -11.843 -5.210 1.00 31.32 N ATOM 873 CA THR A 63 5.839 -12.460 -4.354 1.00 10.11 C ATOM 874 C THR A 63 6.952 -13.135 -5.149 1.00 63.44 C ATOM 875 O THR A 63 6.874 -13.311 -6.370 1.00 74.32 O ATOM 876 CB THR A 63 5.180 -13.476 -3.391 1.00 62.44 C ATOM 877 OG1 THR A 63 4.804 -14.645 -4.097 1.00 10.24 O ATOM 878 CG2 THR A 63 3.957 -12.902 -2.677 1.00 53.12 C ATOM 0 H THR A 63 4.020 -12.458 -5.332 1.00 31.32 H new ATOM 0 HA THR A 63 6.301 -11.656 -3.780 1.00 10.11 H new ATOM 0 HB THR A 63 5.924 -13.717 -2.631 1.00 62.44 H new ATOM 0 HG1 THR A 63 4.618 -15.366 -3.460 1.00 10.24 H new ATOM 0 HG21 THR A 63 3.535 -13.657 -2.014 1.00 53.12 H new ATOM 0 HG22 THR A 63 4.253 -12.031 -2.092 1.00 53.12 H new ATOM 0 HG23 THR A 63 3.210 -12.608 -3.414 1.00 53.12 H new ATOM 886 N GLN A 64 7.996 -13.561 -4.436 1.00 12.31 N ATOM 887 CA GLN A 64 9.062 -14.408 -4.944 1.00 51.20 C ATOM 888 C GLN A 64 8.516 -15.687 -5.580 1.00 32.24 C ATOM 889 O GLN A 64 8.968 -16.056 -6.664 1.00 30.31 O ATOM 890 CB GLN A 64 10.059 -14.689 -3.837 1.00 63.41 C ATOM 891 CG GLN A 64 11.392 -15.041 -4.502 1.00 24.34 C ATOM 892 CD GLN A 64 12.309 -15.531 -3.422 1.00 73.24 C ATOM 893 OE1 GLN A 64 13.013 -14.762 -2.780 1.00 53.31 O ATOM 894 NE2 GLN A 64 12.192 -16.789 -3.074 1.00 31.44 N ATOM 0 H GLN A 64 8.121 -13.314 -3.454 1.00 12.31 H new ATOM 0 HA GLN A 64 9.583 -13.880 -5.743 1.00 51.20 H new ATOM 0 HB2 GLN A 64 10.170 -13.819 -3.190 1.00 63.41 H new ATOM 0 HB3 GLN A 64 9.714 -15.511 -3.209 1.00 63.41 H new ATOM 0 HG2 GLN A 64 11.251 -15.807 -5.264 1.00 24.34 H new ATOM 0 HG3 GLN A 64 11.816 -14.169 -5.000 1.00 24.34 H new ATOM 0 HE21 GLN A 64 11.601 -17.416 -3.620 1.00 31.44 H new ATOM 0 HE22 GLN A 64 12.692 -17.141 -2.257 1.00 31.44 H new ATOM 901 N SER A 65 7.525 -16.320 -4.946 1.00 72.04 N ATOM 902 CA SER A 65 6.915 -17.534 -5.473 1.00 73.10 C ATOM 903 C SER A 65 5.906 -17.215 -6.589 1.00 13.32 C ATOM 904 O SER A 65 5.295 -18.132 -7.132 1.00 53.31 O ATOM 905 CB SER A 65 6.286 -18.341 -4.326 1.00 13.33 C ATOM 906 OG SER A 65 6.293 -19.726 -4.610 1.00 41.41 O ATOM 0 H SER A 65 7.129 -16.005 -4.060 1.00 72.04 H new ATOM 0 HA SER A 65 7.689 -18.151 -5.930 1.00 73.10 H new ATOM 0 HB2 SER A 65 6.835 -18.154 -3.403 1.00 13.33 H new ATOM 0 HB3 SER A 65 5.262 -18.006 -4.162 1.00 13.33 H new ATOM 0 HG SER A 65 5.889 -20.215 -3.863 1.00 41.41 H new ATOM 911 N GLY A 66 5.715 -15.946 -6.967 1.00 64.43 N ATOM 912 CA GLY A 66 4.826 -15.588 -8.060 1.00 23.22 C ATOM 913 C GLY A 66 3.364 -15.547 -7.630 1.00 5.44 C ATOM 914 O GLY A 66 2.482 -15.624 -8.488 1.00 73.34 O ATOM 0 H GLY A 66 6.172 -15.149 -6.523 1.00 64.43 H new ATOM 0 HA2 GLY A 66 5.113 -14.613 -8.454 1.00 23.22 H new ATOM 0 HA3 GLY A 66 4.943 -16.307 -8.871 1.00 23.22 H new ATOM 918 N GLU A 67 3.076 -15.444 -6.332 1.00 21.03 N ATOM 919 CA GLU A 67 1.724 -15.160 -5.871 1.00 14.33 C ATOM 920 C GLU A 67 1.475 -13.699 -6.044 1.00 73.13 C ATOM 921 O GLU A 67 2.308 -12.876 -5.686 1.00 42.42 O ATOM 922 CB GLU A 67 1.516 -15.425 -4.384 1.00 24.24 C ATOM 923 CG GLU A 67 1.657 -16.898 -4.068 1.00 23.24 C ATOM 924 CD GLU A 67 2.458 -17.068 -2.774 1.00 70.21 C ATOM 925 OE1 GLU A 67 3.660 -16.704 -2.793 1.00 44.50 O ATOM 926 OE2 GLU A 67 1.872 -17.510 -1.755 1.00 50.54 O ATOM 0 H GLU A 67 3.762 -15.553 -5.585 1.00 21.03 H new ATOM 0 HA GLU A 67 1.062 -15.807 -6.446 1.00 14.33 H new ATOM 0 HB2 GLU A 67 2.242 -14.855 -3.805 1.00 24.24 H new ATOM 0 HB3 GLU A 67 0.527 -15.079 -4.085 1.00 24.24 H new ATOM 0 HG2 GLU A 67 0.673 -17.354 -3.962 1.00 23.24 H new ATOM 0 HG3 GLU A 67 2.159 -17.411 -4.889 1.00 23.24 H new ATOM 931 N LYS A 68 0.308 -13.369 -6.551 1.00 22.44 N ATOM 932 CA LYS A 68 -0.197 -12.027 -6.468 1.00 52.24 C ATOM 933 C LYS A 68 -0.931 -11.890 -5.153 1.00 34.42 C ATOM 934 O LYS A 68 -1.547 -12.840 -4.671 1.00 72.34 O ATOM 935 CB LYS A 68 -1.088 -11.806 -7.678 1.00 3.31 C ATOM 936 CG LYS A 68 -1.809 -10.461 -7.644 1.00 21.44 C ATOM 937 CD LYS A 68 -2.043 -9.988 -9.072 1.00 42.52 C ATOM 938 CE LYS A 68 -0.898 -9.079 -9.523 1.00 23.21 C ATOM 939 NZ LYS A 68 -1.250 -8.329 -10.741 1.00 22.21 N ATOM 0 H LYS A 68 -0.311 -14.024 -7.029 1.00 22.44 H new ATOM 0 HA LYS A 68 0.586 -11.268 -6.484 1.00 52.24 H new ATOM 0 HB2 LYS A 68 -0.485 -11.867 -8.584 1.00 3.31 H new ATOM 0 HB3 LYS A 68 -1.825 -12.607 -7.732 1.00 3.31 H new ATOM 0 HG2 LYS A 68 -2.759 -10.556 -7.118 1.00 21.44 H new ATOM 0 HG3 LYS A 68 -1.215 -9.729 -7.097 1.00 21.44 H new ATOM 0 HD2 LYS A 68 -2.119 -10.847 -9.739 1.00 42.52 H new ATOM 0 HD3 LYS A 68 -2.989 -9.451 -9.134 1.00 42.52 H new ATOM 0 HE2 LYS A 68 -0.650 -8.381 -8.724 1.00 23.21 H new ATOM 0 HE3 LYS A 68 -0.007 -9.679 -9.709 1.00 23.21 H new ATOM 0 HZ1 LYS A 68 -0.476 -8.405 -11.431 1.00 22.21 H new ATOM 0 HZ2 LYS A 68 -2.120 -8.723 -11.152 1.00 22.21 H new ATOM 0 HZ3 LYS A 68 -1.402 -7.329 -10.501 1.00 22.21 H new ATOM 949 N PHE A 69 -0.892 -10.686 -4.609 1.00 45.13 N ATOM 950 CA PHE A 69 -1.726 -10.275 -3.499 1.00 3.44 C ATOM 951 C PHE A 69 -2.411 -8.975 -3.891 1.00 31.02 C ATOM 952 O PHE A 69 -1.780 -8.102 -4.506 1.00 74.22 O ATOM 953 CB PHE A 69 -0.854 -10.164 -2.250 1.00 22.34 C ATOM 954 CG PHE A 69 0.382 -9.291 -2.386 1.00 52.12 C ATOM 955 CD1 PHE A 69 0.300 -7.913 -2.131 1.00 72.01 C ATOM 956 CD2 PHE A 69 1.621 -9.856 -2.746 1.00 21.21 C ATOM 957 CE1 PHE A 69 1.445 -7.109 -2.216 1.00 52.34 C ATOM 958 CE2 PHE A 69 2.772 -9.054 -2.824 1.00 64.14 C ATOM 959 CZ PHE A 69 2.682 -7.678 -2.550 1.00 5.22 C ATOM 0 H PHE A 69 -0.264 -9.952 -4.936 1.00 45.13 H new ATOM 0 HA PHE A 69 -2.508 -10.998 -3.267 1.00 3.44 H new ATOM 0 HB2 PHE A 69 -1.465 -9.773 -1.436 1.00 22.34 H new ATOM 0 HB3 PHE A 69 -0.539 -11.166 -1.959 1.00 22.34 H new ATOM 0 HD1 PHE A 69 -0.649 -7.470 -1.868 1.00 72.01 H new ATOM 0 HD2 PHE A 69 1.687 -10.912 -2.963 1.00 21.21 H new ATOM 0 HE1 PHE A 69 1.374 -6.049 -2.024 1.00 52.34 H new ATOM 0 HE2 PHE A 69 3.722 -9.493 -3.093 1.00 64.14 H new ATOM 0 HZ PHE A 69 3.566 -7.059 -2.597 1.00 5.22 H new ATOM 968 N THR A 70 -3.692 -8.844 -3.550 1.00 45.32 N ATOM 969 CA THR A 70 -4.453 -7.623 -3.739 1.00 41.54 C ATOM 970 C THR A 70 -5.002 -7.156 -2.395 1.00 52.33 C ATOM 971 O THR A 70 -5.201 -7.947 -1.472 1.00 2.42 O ATOM 972 CB THR A 70 -5.572 -7.809 -4.779 1.00 34.41 C ATOM 973 OG1 THR A 70 -6.491 -8.824 -4.426 1.00 33.03 O ATOM 974 CG2 THR A 70 -5.072 -8.091 -6.191 1.00 52.43 C ATOM 0 H THR A 70 -4.233 -9.599 -3.128 1.00 45.32 H new ATOM 0 HA THR A 70 -3.792 -6.852 -4.134 1.00 41.54 H new ATOM 0 HB THR A 70 -6.074 -6.841 -4.778 1.00 34.41 H new ATOM 0 HG1 THR A 70 -7.179 -8.898 -5.120 1.00 33.03 H new ATOM 0 HG21 THR A 70 -5.923 -8.209 -6.862 1.00 52.43 H new ATOM 0 HG22 THR A 70 -4.455 -7.260 -6.531 1.00 52.43 H new ATOM 0 HG23 THR A 70 -4.480 -9.006 -6.191 1.00 52.43 H new ATOM 982 N GLY A 71 -5.271 -5.859 -2.309 1.00 4.52 N ATOM 983 CA GLY A 71 -5.725 -5.176 -1.113 1.00 5.12 C ATOM 984 C GLY A 71 -6.577 -4.022 -1.579 1.00 33.01 C ATOM 985 O GLY A 71 -6.058 -2.931 -1.820 1.00 1.25 O ATOM 0 H GLY A 71 -5.173 -5.231 -3.107 1.00 4.52 H new ATOM 0 HA2 GLY A 71 -6.298 -5.849 -0.475 1.00 5.12 H new ATOM 0 HA3 GLY A 71 -4.879 -4.821 -0.524 1.00 5.12 H new ATOM 989 N HIS A 72 -7.847 -4.317 -1.820 1.00 31.31 N ATOM 990 CA HIS A 72 -8.850 -3.376 -2.264 1.00 34.45 C ATOM 991 C HIS A 72 -9.398 -2.682 -1.012 1.00 41.22 C ATOM 992 O HIS A 72 -9.872 -3.353 -0.088 1.00 11.51 O ATOM 993 CB HIS A 72 -9.934 -4.141 -3.046 1.00 4.22 C ATOM 994 CG HIS A 72 -9.430 -4.794 -4.313 1.00 12.21 C ATOM 995 ND1 HIS A 72 -9.419 -4.238 -5.577 1.00 74.20 N ATOM 996 CD2 HIS A 72 -8.828 -6.021 -4.400 1.00 73.02 C ATOM 997 CE1 HIS A 72 -8.807 -5.103 -6.399 1.00 70.31 C ATOM 998 NE2 HIS A 72 -8.402 -6.190 -5.723 1.00 32.35 N ATOM 0 H HIS A 72 -8.216 -5.261 -1.705 1.00 31.31 H new ATOM 0 HA HIS A 72 -8.449 -2.618 -2.936 1.00 34.45 H new ATOM 0 HB2 HIS A 72 -10.362 -4.907 -2.400 1.00 4.22 H new ATOM 0 HB3 HIS A 72 -10.739 -3.452 -3.300 1.00 4.22 H new ATOM 0 HD1 HIS A 72 -9.807 -3.332 -5.839 1.00 74.20 H new ATOM 0 HD2 HIS A 72 -8.704 -6.730 -3.594 1.00 73.02 H new ATOM 0 HE1 HIS A 72 -8.660 -4.947 -7.458 1.00 70.31 H new ATOM 1005 N PHE A 73 -9.325 -1.353 -0.959 1.00 51.41 N ATOM 1006 CA PHE A 73 -9.678 -0.530 0.195 1.00 12.31 C ATOM 1007 C PHE A 73 -10.476 0.689 -0.254 1.00 34.05 C ATOM 1008 O PHE A 73 -10.185 1.298 -1.290 1.00 51.41 O ATOM 1009 CB PHE A 73 -8.426 -0.092 0.963 1.00 32.12 C ATOM 1010 CG PHE A 73 -7.539 -1.228 1.434 1.00 51.20 C ATOM 1011 CD1 PHE A 73 -8.006 -2.123 2.415 1.00 44.20 C ATOM 1012 CD2 PHE A 73 -6.245 -1.385 0.902 1.00 21.11 C ATOM 1013 CE1 PHE A 73 -7.174 -3.161 2.868 1.00 65.03 C ATOM 1014 CE2 PHE A 73 -5.416 -2.424 1.362 1.00 32.12 C ATOM 1015 CZ PHE A 73 -5.884 -3.313 2.342 1.00 32.02 C ATOM 0 H PHE A 73 -9.005 -0.798 -1.753 1.00 51.41 H new ATOM 0 HA PHE A 73 -10.293 -1.130 0.866 1.00 12.31 H new ATOM 0 HB2 PHE A 73 -7.838 0.569 0.325 1.00 32.12 H new ATOM 0 HB3 PHE A 73 -8.735 0.493 1.830 1.00 32.12 H new ATOM 0 HD1 PHE A 73 -9.002 -2.012 2.819 1.00 44.20 H new ATOM 0 HD2 PHE A 73 -5.889 -0.707 0.140 1.00 21.11 H new ATOM 0 HE1 PHE A 73 -7.530 -3.844 3.625 1.00 65.03 H new ATOM 0 HE2 PHE A 73 -4.420 -2.538 0.961 1.00 32.12 H new ATOM 0 HZ PHE A 73 -5.250 -4.115 2.691 1.00 32.02 H new ATOM 1024 N LYS A 74 -11.463 1.075 0.552 1.00 11.55 N ATOM 1025 CA LYS A 74 -12.295 2.271 0.454 1.00 24.11 C ATOM 1026 C LYS A 74 -12.480 2.760 1.893 1.00 25.43 C ATOM 1027 O LYS A 74 -12.084 2.053 2.825 1.00 44.22 O ATOM 1028 CB LYS A 74 -13.664 1.970 -0.199 1.00 62.42 C ATOM 1029 CG LYS A 74 -13.606 1.671 -1.705 1.00 1.34 C ATOM 1030 CD LYS A 74 -13.395 0.183 -2.020 1.00 24.13 C ATOM 1031 CE LYS A 74 -12.423 0.043 -3.195 1.00 70.31 C ATOM 1032 NZ LYS A 74 -12.100 -1.362 -3.502 1.00 51.40 N ATOM 0 H LYS A 74 -11.723 0.509 1.360 1.00 11.55 H new ATOM 0 HA LYS A 74 -11.823 3.022 -0.179 1.00 24.11 H new ATOM 0 HB2 LYS A 74 -14.114 1.117 0.310 1.00 62.42 H new ATOM 0 HB3 LYS A 74 -14.324 2.822 -0.037 1.00 62.42 H new ATOM 0 HG2 LYS A 74 -14.533 2.006 -2.171 1.00 1.34 H new ATOM 0 HG3 LYS A 74 -12.797 2.248 -2.152 1.00 1.34 H new ATOM 0 HD2 LYS A 74 -13.001 -0.333 -1.144 1.00 24.13 H new ATOM 0 HD3 LYS A 74 -14.348 -0.287 -2.264 1.00 24.13 H new ATOM 0 HE2 LYS A 74 -12.857 0.513 -4.078 1.00 70.31 H new ATOM 0 HE3 LYS A 74 -11.503 0.581 -2.966 1.00 70.31 H new ATOM 0 HZ1 LYS A 74 -11.133 -1.421 -3.880 1.00 51.40 H new ATOM 0 HZ2 LYS A 74 -12.168 -1.931 -2.634 1.00 51.40 H new ATOM 0 HZ3 LYS A 74 -12.771 -1.726 -4.209 1.00 51.40 H new ATOM 1042 N GLY A 75 -13.051 3.949 2.071 1.00 62.04 N ATOM 1043 CA GLY A 75 -13.255 4.550 3.377 1.00 61.23 C ATOM 1044 C GLY A 75 -11.947 4.635 4.145 1.00 74.43 C ATOM 1045 O GLY A 75 -11.730 3.864 5.082 1.00 5.31 O ATOM 0 H GLY A 75 -13.387 4.525 1.300 1.00 62.04 H new ATOM 0 HA2 GLY A 75 -13.678 5.548 3.261 1.00 61.23 H new ATOM 0 HA3 GLY A 75 -13.977 3.962 3.944 1.00 61.23 H new ATOM 1049 N LEU A 76 -11.070 5.527 3.687 1.00 64.12 N ATOM 1050 CA LEU A 76 -9.760 5.819 4.257 1.00 22.25 C ATOM 1051 C LEU A 76 -9.733 7.284 4.698 1.00 62.32 C ATOM 1052 O LEU A 76 -10.412 8.130 4.109 1.00 44.51 O ATOM 1053 CB LEU A 76 -8.676 5.556 3.199 1.00 63.42 C ATOM 1054 CG LEU A 76 -8.588 4.097 2.711 1.00 13.35 C ATOM 1055 CD1 LEU A 76 -7.626 3.948 1.535 1.00 51.24 C ATOM 1056 CD2 LEU A 76 -8.115 3.158 3.812 1.00 24.31 C ATOM 0 H LEU A 76 -11.267 6.095 2.863 1.00 64.12 H new ATOM 0 HA LEU A 76 -9.569 5.180 5.119 1.00 22.25 H new ATOM 0 HB2 LEU A 76 -8.863 6.201 2.340 1.00 63.42 H new ATOM 0 HB3 LEU A 76 -7.709 5.845 3.611 1.00 63.42 H new ATOM 0 HG LEU A 76 -9.599 3.831 2.403 1.00 13.35 H new ATOM 0 HD11 LEU A 76 -7.593 2.905 1.222 1.00 51.24 H new ATOM 0 HD12 LEU A 76 -7.968 4.566 0.705 1.00 51.24 H new ATOM 0 HD13 LEU A 76 -6.629 4.267 1.838 1.00 51.24 H new ATOM 0 HD21 LEU A 76 -8.067 2.140 3.426 1.00 24.31 H new ATOM 0 HD22 LEU A 76 -7.126 3.464 4.151 1.00 24.31 H new ATOM 0 HD23 LEU A 76 -8.813 3.197 4.648 1.00 24.31 H new ATOM 1067 N VAL A 77 -8.924 7.600 5.708 1.00 13.14 N ATOM 1068 CA VAL A 77 -8.941 8.876 6.431 1.00 65.43 C ATOM 1069 C VAL A 77 -7.530 9.470 6.539 1.00 2.51 C ATOM 1070 O VAL A 77 -6.581 8.924 5.964 1.00 13.12 O ATOM 1071 CB VAL A 77 -9.634 8.681 7.801 1.00 3.12 C ATOM 1072 CG1 VAL A 77 -11.147 8.514 7.625 1.00 10.34 C ATOM 1073 CG2 VAL A 77 -9.074 7.486 8.591 1.00 44.30 C ATOM 0 H VAL A 77 -8.215 6.956 6.059 1.00 13.14 H new ATOM 0 HA VAL A 77 -9.523 9.610 5.874 1.00 65.43 H new ATOM 0 HB VAL A 77 -9.426 9.582 8.378 1.00 3.12 H new ATOM 0 HG11 VAL A 77 -11.614 8.378 8.601 1.00 10.34 H new ATOM 0 HG12 VAL A 77 -11.558 9.403 7.146 1.00 10.34 H new ATOM 0 HG13 VAL A 77 -11.347 7.642 7.003 1.00 10.34 H new ATOM 0 HG21 VAL A 77 -9.599 7.400 9.542 1.00 44.30 H new ATOM 0 HG22 VAL A 77 -9.215 6.571 8.015 1.00 44.30 H new ATOM 0 HG23 VAL A 77 -8.011 7.638 8.776 1.00 44.30 H new ATOM 1083 N GLY A 78 -7.383 10.607 7.229 1.00 72.11 N ATOM 1084 CA GLY A 78 -6.088 11.212 7.521 1.00 65.04 C ATOM 1085 C GLY A 78 -5.454 11.846 6.286 1.00 44.42 C ATOM 1086 O GLY A 78 -6.146 12.124 5.302 1.00 1.13 O ATOM 0 H GLY A 78 -8.172 11.135 7.602 1.00 72.11 H new ATOM 0 HA2 GLY A 78 -6.210 11.971 8.294 1.00 65.04 H new ATOM 0 HA3 GLY A 78 -5.417 10.453 7.922 1.00 65.04 H new ATOM 1090 N LYS A 79 -4.148 12.122 6.345 1.00 45.42 N ATOM 1091 CA LYS A 79 -3.366 12.639 5.224 1.00 5.14 C ATOM 1092 C LYS A 79 -2.074 11.829 5.059 1.00 61.12 C ATOM 1093 O LYS A 79 -1.024 12.358 4.695 1.00 44.21 O ATOM 1094 CB LYS A 79 -3.158 14.161 5.349 1.00 2.42 C ATOM 1095 CG LYS A 79 -3.039 14.769 3.943 1.00 3.44 C ATOM 1096 CD LYS A 79 -2.906 16.294 3.906 1.00 62.13 C ATOM 1097 CE LYS A 79 -1.588 16.832 4.475 1.00 31.14 C ATOM 1098 NZ LYS A 79 -1.697 17.260 5.889 1.00 11.52 N ATOM 0 H LYS A 79 -3.596 11.989 7.192 1.00 45.42 H new ATOM 0 HA LYS A 79 -3.921 12.506 4.295 1.00 5.14 H new ATOM 0 HB2 LYS A 79 -3.994 14.612 5.884 1.00 2.42 H new ATOM 0 HB3 LYS A 79 -2.258 14.371 5.927 1.00 2.42 H new ATOM 0 HG2 LYS A 79 -2.173 14.332 3.447 1.00 3.44 H new ATOM 0 HG3 LYS A 79 -3.917 14.482 3.364 1.00 3.44 H new ATOM 0 HD2 LYS A 79 -3.005 16.630 2.874 1.00 62.13 H new ATOM 0 HD3 LYS A 79 -3.734 16.732 4.464 1.00 62.13 H new ATOM 0 HE2 LYS A 79 -0.822 16.061 4.393 1.00 31.14 H new ATOM 0 HE3 LYS A 79 -1.256 17.676 3.871 1.00 31.14 H new ATOM 0 HZ1 LYS A 79 -0.775 17.613 6.217 1.00 11.52 H new ATOM 0 HZ2 LYS A 79 -2.406 18.016 5.969 1.00 11.52 H new ATOM 0 HZ3 LYS A 79 -1.986 16.451 6.475 1.00 11.52 H new ATOM 1108 N ASP A 80 -2.159 10.524 5.294 1.00 61.02 N ATOM 1109 CA ASP A 80 -1.212 9.519 4.830 1.00 14.51 C ATOM 1110 C ASP A 80 -1.958 8.202 4.695 1.00 63.12 C ATOM 1111 O ASP A 80 -3.055 8.058 5.245 1.00 25.24 O ATOM 1112 CB ASP A 80 -0.041 9.303 5.796 1.00 74.03 C ATOM 1113 CG ASP A 80 -0.451 8.547 7.064 1.00 32.02 C ATOM 1114 OD1 ASP A 80 -1.153 9.125 7.924 1.00 63.41 O ATOM 1115 OD2 ASP A 80 -0.056 7.363 7.183 1.00 34.43 O ATOM 0 H ASP A 80 -2.923 10.121 5.837 1.00 61.02 H new ATOM 0 HA ASP A 80 -0.797 9.868 3.885 1.00 14.51 H new ATOM 0 HB2 ASP A 80 0.747 8.749 5.287 1.00 74.03 H new ATOM 0 HB3 ASP A 80 0.378 10.270 6.074 1.00 74.03 H new ATOM 1119 N THR A 81 -1.337 7.233 4.023 1.00 42.11 N ATOM 1120 CA THR A 81 -1.842 5.879 3.939 1.00 4.31 C ATOM 1121 C THR A 81 -0.648 4.927 3.957 1.00 51.40 C ATOM 1122 O THR A 81 0.229 4.991 3.088 1.00 71.41 O ATOM 1123 CB THR A 81 -2.720 5.674 2.689 1.00 73.01 C ATOM 1124 OG1 THR A 81 -3.452 6.826 2.311 1.00 50.12 O ATOM 1125 CG2 THR A 81 -3.745 4.593 3.017 1.00 14.43 C ATOM 0 H THR A 81 -0.461 7.376 3.520 1.00 42.11 H new ATOM 0 HA THR A 81 -2.488 5.673 4.792 1.00 4.31 H new ATOM 0 HB THR A 81 -2.051 5.417 1.868 1.00 73.01 H new ATOM 0 HG1 THR A 81 -3.985 6.628 1.513 1.00 50.12 H new ATOM 0 HG21 THR A 81 -4.384 4.423 2.151 1.00 14.43 H new ATOM 0 HG22 THR A 81 -3.229 3.668 3.274 1.00 14.43 H new ATOM 0 HG23 THR A 81 -4.355 4.914 3.861 1.00 14.43 H new ATOM 1133 N ARG A 82 -0.581 4.068 4.975 1.00 11.45 N ATOM 1134 CA ARG A 82 0.334 2.932 4.979 1.00 44.10 C ATOM 1135 C ARG A 82 -0.309 1.738 4.306 1.00 33.03 C ATOM 1136 O ARG A 82 -1.499 1.759 4.012 1.00 41.20 O ATOM 1137 CB ARG A 82 0.753 2.587 6.413 1.00 42.31 C ATOM 1138 CG ARG A 82 1.877 3.517 6.860 1.00 73.24 C ATOM 1139 CD ARG A 82 2.453 3.063 8.199 1.00 24.35 C ATOM 1140 NE ARG A 82 1.599 3.464 9.327 1.00 45.30 N ATOM 1141 CZ ARG A 82 2.023 3.482 10.595 1.00 14.23 C ATOM 1142 NH1 ARG A 82 3.114 2.811 10.955 1.00 1.55 N ATOM 1143 NH2 ARG A 82 1.349 4.198 11.490 1.00 50.52 N ATOM 0 H ARG A 82 -1.157 4.141 5.814 1.00 11.45 H new ATOM 0 HA ARG A 82 1.229 3.202 4.418 1.00 44.10 H new ATOM 0 HB2 ARG A 82 -0.100 2.684 7.084 1.00 42.31 H new ATOM 0 HB3 ARG A 82 1.084 1.550 6.466 1.00 42.31 H new ATOM 0 HG2 ARG A 82 2.664 3.532 6.106 1.00 73.24 H new ATOM 0 HG3 ARG A 82 1.500 4.536 6.948 1.00 73.24 H new ATOM 0 HD2 ARG A 82 2.566 1.979 8.197 1.00 24.35 H new ATOM 0 HD3 ARG A 82 3.449 3.487 8.329 1.00 24.35 H new ATOM 0 HE ARG A 82 0.637 3.742 9.133 1.00 45.30 H new ATOM 0 HH11 ARG A 82 3.636 2.276 10.261 1.00 1.55 H new ATOM 0 HH12 ARG A 82 3.429 2.832 11.925 1.00 1.55 H new ATOM 0 HH21 ARG A 82 0.522 4.723 11.205 1.00 50.52 H new ATOM 0 HH22 ARG A 82 1.659 4.223 12.461 1.00 50.52 H new ATOM 1154 N VAL A 83 0.490 0.695 4.113 1.00 62.30 N ATOM 1155 CA VAL A 83 0.092 -0.604 3.617 1.00 65.01 C ATOM 1156 C VAL A 83 0.915 -1.613 4.403 1.00 45.41 C ATOM 1157 O VAL A 83 2.147 -1.567 4.343 1.00 50.50 O ATOM 1158 CB VAL A 83 0.392 -0.694 2.120 1.00 3.52 C ATOM 1159 CG1 VAL A 83 -0.054 -2.050 1.550 1.00 5.22 C ATOM 1160 CG2 VAL A 83 -0.254 0.415 1.290 1.00 54.54 C ATOM 0 H VAL A 83 1.489 0.743 4.312 1.00 62.30 H new ATOM 0 HA VAL A 83 -0.975 -0.789 3.742 1.00 65.01 H new ATOM 0 HB VAL A 83 1.473 -0.578 2.043 1.00 3.52 H new ATOM 0 HG11 VAL A 83 0.171 -2.088 0.484 1.00 5.22 H new ATOM 0 HG12 VAL A 83 0.477 -2.852 2.062 1.00 5.22 H new ATOM 0 HG13 VAL A 83 -1.127 -2.172 1.699 1.00 5.22 H new ATOM 0 HG21 VAL A 83 0.006 0.282 0.240 1.00 54.54 H new ATOM 0 HG22 VAL A 83 -1.337 0.371 1.404 1.00 54.54 H new ATOM 0 HG23 VAL A 83 0.108 1.384 1.633 1.00 54.54 H new ATOM 1170 N PHE A 84 0.251 -2.499 5.138 1.00 44.10 N ATOM 1171 CA PHE A 84 0.885 -3.630 5.792 1.00 24.14 C ATOM 1172 C PHE A 84 0.631 -4.848 4.907 1.00 63.23 C ATOM 1173 O PHE A 84 -0.492 -5.323 4.790 1.00 24.31 O ATOM 1174 CB PHE A 84 0.349 -3.787 7.224 1.00 14.25 C ATOM 1175 CG PHE A 84 0.698 -2.700 8.240 1.00 25.32 C ATOM 1176 CD1 PHE A 84 1.721 -1.765 8.002 1.00 2.51 C ATOM 1177 CD2 PHE A 84 0.026 -2.660 9.478 1.00 11.23 C ATOM 1178 CE1 PHE A 84 2.050 -0.797 8.965 1.00 14.33 C ATOM 1179 CE2 PHE A 84 0.339 -1.681 10.437 1.00 1.12 C ATOM 1180 CZ PHE A 84 1.353 -0.745 10.182 1.00 13.22 C ATOM 0 H PHE A 84 -0.755 -2.448 5.296 1.00 44.10 H new ATOM 0 HA PHE A 84 1.961 -3.493 5.903 1.00 24.14 H new ATOM 0 HB2 PHE A 84 -0.737 -3.857 7.169 1.00 14.25 H new ATOM 0 HB3 PHE A 84 0.711 -4.738 7.614 1.00 14.25 H new ATOM 0 HD1 PHE A 84 2.261 -1.792 7.067 1.00 2.51 H new ATOM 0 HD2 PHE A 84 -0.739 -3.391 9.693 1.00 11.23 H new ATOM 0 HE1 PHE A 84 2.842 -0.090 8.768 1.00 14.33 H new ATOM 0 HE2 PHE A 84 -0.202 -1.649 11.371 1.00 1.12 H new ATOM 0 HZ PHE A 84 1.595 0.009 10.916 1.00 13.22 H new ATOM 1189 N ILE A 85 1.659 -5.299 4.199 1.00 42.54 N ATOM 1190 CA ILE A 85 1.666 -6.592 3.521 1.00 32.01 C ATOM 1191 C ILE A 85 2.043 -7.587 4.612 1.00 25.24 C ATOM 1192 O ILE A 85 3.081 -7.399 5.253 1.00 11.22 O ATOM 1193 CB ILE A 85 2.673 -6.624 2.348 1.00 4.55 C ATOM 1194 CG1 ILE A 85 2.401 -5.495 1.326 1.00 24.03 C ATOM 1195 CG2 ILE A 85 2.599 -7.991 1.641 1.00 44.33 C ATOM 1196 CD1 ILE A 85 3.536 -5.292 0.313 1.00 25.31 C ATOM 0 H ILE A 85 2.523 -4.771 4.077 1.00 42.54 H new ATOM 0 HA ILE A 85 0.702 -6.821 3.066 1.00 32.01 H new ATOM 0 HB ILE A 85 3.670 -6.468 2.759 1.00 4.55 H new ATOM 0 HG12 ILE A 85 1.481 -5.719 0.787 1.00 24.03 H new ATOM 0 HG13 ILE A 85 2.236 -4.562 1.864 1.00 24.03 H new ATOM 0 HG21 ILE A 85 3.309 -8.012 0.814 1.00 44.33 H new ATOM 0 HG22 ILE A 85 2.844 -8.781 2.350 1.00 44.33 H new ATOM 0 HG23 ILE A 85 1.591 -8.148 1.257 1.00 44.33 H new ATOM 0 HD11 ILE A 85 3.274 -4.484 -0.370 1.00 25.31 H new ATOM 0 HD12 ILE A 85 4.454 -5.036 0.842 1.00 25.31 H new ATOM 0 HD13 ILE A 85 3.688 -6.211 -0.253 1.00 25.31 H new ATOM 1207 N GLU A 86 1.186 -8.575 4.851 1.00 30.01 N ATOM 1208 CA GLU A 86 1.266 -9.570 5.914 1.00 52.31 C ATOM 1209 C GLU A 86 0.227 -10.646 5.595 1.00 50.43 C ATOM 1210 O GLU A 86 -0.686 -10.426 4.795 1.00 32.44 O ATOM 1211 CB GLU A 86 1.041 -8.923 7.294 1.00 14.45 C ATOM 1212 CG GLU A 86 -0.204 -8.028 7.380 1.00 11.23 C ATOM 1213 CD GLU A 86 -0.278 -7.260 8.702 1.00 11.32 C ATOM 1214 OE1 GLU A 86 0.725 -6.627 9.110 1.00 34.03 O ATOM 1215 OE2 GLU A 86 -1.370 -7.234 9.314 1.00 63.23 O ATOM 0 H GLU A 86 0.361 -8.710 4.267 1.00 30.01 H new ATOM 0 HA GLU A 86 2.258 -10.019 5.961 1.00 52.31 H new ATOM 0 HB2 GLU A 86 0.959 -9.711 8.042 1.00 14.45 H new ATOM 0 HB3 GLU A 86 1.918 -8.330 7.551 1.00 14.45 H new ATOM 0 HG2 GLU A 86 -0.198 -7.320 6.551 1.00 11.23 H new ATOM 0 HG3 GLU A 86 -1.098 -8.641 7.268 1.00 11.23 H new ATOM 1220 N LEU A 87 0.407 -11.829 6.173 1.00 23.15 N ATOM 1221 CA LEU A 87 -0.392 -13.008 5.848 1.00 50.40 C ATOM 1222 C LEU A 87 -1.662 -13.020 6.692 1.00 41.34 C ATOM 1223 O LEU A 87 -1.658 -12.521 7.822 1.00 13.43 O ATOM 1224 CB LEU A 87 0.390 -14.305 6.130 1.00 72.34 C ATOM 1225 CG LEU A 87 1.802 -14.347 5.514 1.00 2.31 C ATOM 1226 CD1 LEU A 87 2.715 -15.299 6.273 1.00 13.35 C ATOM 1227 CD2 LEU A 87 1.757 -14.753 4.042 1.00 31.43 C ATOM 0 H LEU A 87 1.117 -11.999 6.886 1.00 23.15 H new ATOM 0 HA LEU A 87 -0.637 -12.961 4.787 1.00 50.40 H new ATOM 0 HB2 LEU A 87 0.474 -14.436 7.209 1.00 72.34 H new ATOM 0 HB3 LEU A 87 -0.184 -15.150 5.750 1.00 72.34 H new ATOM 0 HG LEU A 87 2.206 -13.337 5.590 1.00 2.31 H new ATOM 0 HD11 LEU A 87 3.702 -15.303 5.810 1.00 13.35 H new ATOM 0 HD12 LEU A 87 2.801 -14.972 7.309 1.00 13.35 H new ATOM 0 HD13 LEU A 87 2.297 -16.305 6.244 1.00 13.35 H new ATOM 0 HD21 LEU A 87 2.770 -14.773 3.639 1.00 31.43 H new ATOM 0 HD22 LEU A 87 1.311 -15.743 3.951 1.00 31.43 H new ATOM 0 HD23 LEU A 87 1.158 -14.033 3.484 1.00 31.43 H new ATOM 1238 N ASP A 88 -2.702 -13.695 6.212 1.00 12.31 N ATOM 1239 CA ASP A 88 -3.853 -14.110 7.010 1.00 62.31 C ATOM 1240 C ASP A 88 -4.497 -15.338 6.356 1.00 3.35 C ATOM 1241 O ASP A 88 -3.845 -16.016 5.558 1.00 61.40 O ATOM 1242 CB ASP A 88 -4.842 -12.949 7.228 1.00 4.22 C ATOM 1243 CG ASP A 88 -5.702 -13.194 8.464 1.00 30.12 C ATOM 1244 OD1 ASP A 88 -5.170 -13.147 9.595 1.00 5.21 O ATOM 1245 OD2 ASP A 88 -6.901 -13.524 8.305 1.00 13.54 O ATOM 0 H ASP A 88 -2.770 -13.976 5.234 1.00 12.31 H new ATOM 0 HA ASP A 88 -3.524 -14.395 8.009 1.00 62.31 H new ATOM 0 HB2 ASP A 88 -4.293 -12.014 7.341 1.00 4.22 H new ATOM 0 HB3 ASP A 88 -5.480 -12.840 6.351 1.00 4.22 H new ATOM 1249 N GLU A 89 -5.751 -15.640 6.692 1.00 21.31 N ATOM 1250 CA GLU A 89 -6.547 -16.803 6.337 1.00 51.54 C ATOM 1251 C GLU A 89 -5.809 -18.083 6.745 1.00 5.35 C ATOM 1252 O GLU A 89 -5.988 -18.600 7.848 1.00 53.14 O ATOM 1253 CB GLU A 89 -6.999 -16.782 4.853 1.00 45.44 C ATOM 1254 CG GLU A 89 -7.185 -15.405 4.199 1.00 34.23 C ATOM 1255 CD GLU A 89 -8.219 -14.508 4.879 1.00 52.54 C ATOM 1256 OE1 GLU A 89 -9.345 -14.972 5.166 1.00 43.34 O ATOM 1257 OE2 GLU A 89 -7.963 -13.294 5.024 1.00 73.13 O ATOM 0 H GLU A 89 -6.286 -15.004 7.283 1.00 21.31 H new ATOM 0 HA GLU A 89 -7.479 -16.776 6.901 1.00 51.54 H new ATOM 0 HB2 GLU A 89 -6.267 -17.338 4.268 1.00 45.44 H new ATOM 0 HB3 GLU A 89 -7.943 -17.322 4.779 1.00 45.44 H new ATOM 0 HG2 GLU A 89 -6.225 -14.889 4.192 1.00 34.23 H new ATOM 0 HG3 GLU A 89 -7.477 -15.549 3.159 1.00 34.23 H new ATOM 1262 N ASN A 90 -4.922 -18.560 5.876 1.00 21.45 N ATOM 1263 CA ASN A 90 -4.295 -19.874 5.894 1.00 4.31 C ATOM 1264 C ASN A 90 -2.858 -19.728 5.385 1.00 2.43 C ATOM 1265 O ASN A 90 -2.439 -20.463 4.486 1.00 64.41 O ATOM 1266 CB ASN A 90 -5.121 -20.855 5.037 1.00 71.24 C ATOM 1267 CG ASN A 90 -6.537 -21.040 5.557 1.00 62.33 C ATOM 1268 OD1 ASN A 90 -6.761 -21.677 6.586 1.00 3.31 O ATOM 1269 ND2 ASN A 90 -7.516 -20.506 4.849 1.00 62.34 N ATOM 0 H ASN A 90 -4.602 -17.998 5.087 1.00 21.45 H new ATOM 0 HA ASN A 90 -4.264 -20.280 6.905 1.00 4.31 H new ATOM 0 HB2 ASN A 90 -5.160 -20.490 4.011 1.00 71.24 H new ATOM 0 HB3 ASN A 90 -4.618 -21.822 5.013 1.00 71.24 H new ATOM 0 HD21 ASN A 90 -8.484 -20.617 5.152 1.00 62.34 H new ATOM 0 HD22 ASN A 90 -7.304 -19.982 4.000 1.00 62.34 H new ATOM 1275 N ALA A 91 -2.117 -18.760 5.937 1.00 33.41 N ATOM 1276 CA ALA A 91 -0.847 -18.239 5.432 1.00 22.05 C ATOM 1277 C ALA A 91 -0.958 -17.814 3.958 1.00 32.45 C ATOM 1278 O ALA A 91 -0.047 -18.046 3.158 1.00 14.41 O ATOM 1279 CB ALA A 91 0.303 -19.218 5.707 1.00 23.24 C ATOM 0 H ALA A 91 -2.407 -18.295 6.797 1.00 33.41 H new ATOM 0 HA ALA A 91 -0.605 -17.330 5.982 1.00 22.05 H new ATOM 0 HB1 ALA A 91 1.234 -18.804 5.320 1.00 23.24 H new ATOM 0 HB2 ALA A 91 0.396 -19.378 6.781 1.00 23.24 H new ATOM 0 HB3 ALA A 91 0.097 -20.169 5.215 1.00 23.24 H new ATOM 1285 N ASP A 92 -2.083 -17.194 3.599 1.00 34.14 N ATOM 1286 CA ASP A 92 -2.284 -16.582 2.289 1.00 53.34 C ATOM 1287 C ASP A 92 -1.781 -15.151 2.375 1.00 14.33 C ATOM 1288 O ASP A 92 -1.879 -14.521 3.431 1.00 5.45 O ATOM 1289 CB ASP A 92 -3.770 -16.524 1.904 1.00 45.51 C ATOM 1290 CG ASP A 92 -4.385 -17.860 1.498 1.00 30.34 C ATOM 1291 OD1 ASP A 92 -3.636 -18.766 1.065 1.00 22.14 O ATOM 1292 OD2 ASP A 92 -5.629 -17.982 1.585 1.00 72.00 O ATOM 0 H ASP A 92 -2.888 -17.103 4.218 1.00 34.14 H new ATOM 0 HA ASP A 92 -1.755 -17.176 1.543 1.00 53.34 H new ATOM 0 HB2 ASP A 92 -4.333 -16.124 2.747 1.00 45.51 H new ATOM 0 HB3 ASP A 92 -3.889 -15.821 1.079 1.00 45.51 H new ATOM 1296 N VAL A 93 -1.294 -14.605 1.261 1.00 31.45 N ATOM 1297 CA VAL A 93 -0.773 -13.248 1.241 1.00 52.44 C ATOM 1298 C VAL A 93 -1.934 -12.268 1.091 1.00 61.44 C ATOM 1299 O VAL A 93 -2.403 -12.006 -0.018 1.00 52.52 O ATOM 1300 CB VAL A 93 0.324 -13.094 0.172 1.00 23.21 C ATOM 1301 CG1 VAL A 93 1.022 -11.739 0.351 1.00 22.35 C ATOM 1302 CG2 VAL A 93 1.375 -14.210 0.303 1.00 32.33 C ATOM 0 H VAL A 93 -1.252 -15.086 0.363 1.00 31.45 H new ATOM 0 HA VAL A 93 -0.280 -13.016 2.185 1.00 52.44 H new ATOM 0 HB VAL A 93 -0.143 -13.157 -0.811 1.00 23.21 H new ATOM 0 HG11 VAL A 93 1.799 -11.628 -0.405 1.00 22.35 H new ATOM 0 HG12 VAL A 93 0.292 -10.937 0.242 1.00 22.35 H new ATOM 0 HG13 VAL A 93 1.471 -11.689 1.343 1.00 22.35 H new ATOM 0 HG21 VAL A 93 2.140 -14.081 -0.462 1.00 32.33 H new ATOM 0 HG22 VAL A 93 1.837 -14.161 1.289 1.00 32.33 H new ATOM 0 HG23 VAL A 93 0.894 -15.180 0.175 1.00 32.33 H new ATOM 1312 N GLN A 94 -2.398 -11.753 2.227 1.00 54.24 N ATOM 1313 CA GLN A 94 -3.394 -10.702 2.302 1.00 51.50 C ATOM 1314 C GLN A 94 -2.708 -9.336 2.266 1.00 72.04 C ATOM 1315 O GLN A 94 -1.499 -9.211 2.043 1.00 44.43 O ATOM 1316 CB GLN A 94 -4.238 -10.875 3.579 1.00 43.40 C ATOM 1317 CG GLN A 94 -4.990 -12.204 3.640 1.00 54.44 C ATOM 1318 CD GLN A 94 -5.788 -12.523 2.384 1.00 51.33 C ATOM 1319 OE1 GLN A 94 -5.519 -13.680 1.810 1.00 70.42 O flip ATOM 1320 NE2 GLN A 94 -6.617 -11.736 1.920 1.00 12.11 N flip ATOM 0 H GLN A 94 -2.079 -12.068 3.143 1.00 54.24 H new ATOM 0 HA GLN A 94 -4.063 -10.766 1.444 1.00 51.50 H new ATOM 0 HB2 GLN A 94 -3.586 -10.796 4.449 1.00 43.40 H new ATOM 0 HB3 GLN A 94 -4.956 -10.057 3.643 1.00 43.40 H new ATOM 0 HG2 GLN A 94 -4.274 -13.007 3.817 1.00 54.44 H new ATOM 0 HG3 GLN A 94 -5.667 -12.187 4.494 1.00 54.44 H new ATOM 0 HE21 GLN A 94 -6.799 -10.850 2.392 1.00 12.11 H new ATOM 0 HE22 GLN A 94 -7.121 -11.971 1.065 1.00 12.11 H new ATOM 1327 N VAL A 95 -3.507 -8.289 2.458 1.00 2.34 N ATOM 1328 CA VAL A 95 -3.039 -6.938 2.660 1.00 33.44 C ATOM 1329 C VAL A 95 -3.900 -6.367 3.777 1.00 14.31 C ATOM 1330 O VAL A 95 -5.121 -6.533 3.802 1.00 71.23 O ATOM 1331 CB VAL A 95 -3.148 -6.130 1.357 1.00 64.04 C ATOM 1332 CG1 VAL A 95 -2.529 -4.728 1.509 1.00 61.22 C ATOM 1333 CG2 VAL A 95 -2.454 -6.832 0.176 1.00 1.33 C ATOM 0 H VAL A 95 -4.524 -8.369 2.476 1.00 2.34 H new ATOM 0 HA VAL A 95 -1.986 -6.900 2.938 1.00 33.44 H new ATOM 0 HB VAL A 95 -4.215 -6.048 1.150 1.00 64.04 H new ATOM 0 HG11 VAL A 95 -2.624 -4.185 0.569 1.00 61.22 H new ATOM 0 HG12 VAL A 95 -3.050 -4.184 2.297 1.00 61.22 H new ATOM 0 HG13 VAL A 95 -1.475 -4.822 1.769 1.00 61.22 H new ATOM 0 HG21 VAL A 95 -2.558 -6.223 -0.722 1.00 1.33 H new ATOM 0 HG22 VAL A 95 -1.396 -6.966 0.403 1.00 1.33 H new ATOM 0 HG23 VAL A 95 -2.915 -7.805 0.009 1.00 1.33 H new ATOM 1343 N PHE A 96 -3.257 -5.647 4.679 1.00 3.34 N ATOM 1344 CA PHE A 96 -3.841 -5.019 5.838 1.00 63.32 C ATOM 1345 C PHE A 96 -3.421 -3.554 5.846 1.00 5.45 C ATOM 1346 O PHE A 96 -2.516 -3.135 5.113 1.00 4.53 O ATOM 1347 CB PHE A 96 -3.320 -5.766 7.069 1.00 30.02 C ATOM 1348 CG PHE A 96 -4.090 -5.427 8.331 1.00 73.04 C ATOM 1349 CD1 PHE A 96 -5.385 -5.942 8.528 1.00 24.01 C ATOM 1350 CD2 PHE A 96 -3.540 -4.556 9.286 1.00 45.14 C ATOM 1351 CE1 PHE A 96 -6.109 -5.591 9.680 1.00 14.33 C ATOM 1352 CE2 PHE A 96 -4.259 -4.214 10.444 1.00 51.30 C ATOM 1353 CZ PHE A 96 -5.549 -4.734 10.643 1.00 13.13 C ATOM 0 H PHE A 96 -2.253 -5.479 4.613 1.00 3.34 H new ATOM 0 HA PHE A 96 -4.930 -5.059 5.832 1.00 63.32 H new ATOM 0 HB2 PHE A 96 -3.380 -6.839 6.889 1.00 30.02 H new ATOM 0 HB3 PHE A 96 -2.267 -5.526 7.216 1.00 30.02 H new ATOM 0 HD1 PHE A 96 -5.821 -6.605 7.796 1.00 24.01 H new ATOM 0 HD2 PHE A 96 -2.554 -4.145 9.129 1.00 45.14 H new ATOM 0 HE1 PHE A 96 -7.105 -5.983 9.827 1.00 14.33 H new ATOM 0 HE2 PHE A 96 -3.822 -3.554 11.178 1.00 51.30 H new ATOM 0 HZ PHE A 96 -6.107 -4.477 11.531 1.00 13.13 H new ATOM 1362 N ILE A 97 -4.043 -2.753 6.702 1.00 25.45 N ATOM 1363 CA ILE A 97 -3.702 -1.353 6.864 1.00 54.23 C ATOM 1364 C ILE A 97 -3.960 -0.942 8.311 1.00 12.15 C ATOM 1365 O ILE A 97 -4.954 -1.378 8.891 1.00 13.54 O ATOM 1366 CB ILE A 97 -4.515 -0.480 5.871 1.00 11.13 C ATOM 1367 CG1 ILE A 97 -5.957 -0.983 5.620 1.00 25.34 C ATOM 1368 CG2 ILE A 97 -3.770 -0.373 4.534 1.00 32.35 C ATOM 1369 CD1 ILE A 97 -6.741 -0.041 4.709 1.00 74.14 C ATOM 0 H ILE A 97 -4.804 -3.063 7.306 1.00 25.45 H new ATOM 0 HA ILE A 97 -2.646 -1.201 6.640 1.00 54.23 H new ATOM 0 HB ILE A 97 -4.608 0.498 6.342 1.00 11.13 H new ATOM 0 HG12 ILE A 97 -5.922 -1.976 5.171 1.00 25.34 H new ATOM 0 HG13 ILE A 97 -6.477 -1.082 6.573 1.00 25.34 H new ATOM 0 HG21 ILE A 97 -4.348 0.241 3.844 1.00 32.35 H new ATOM 0 HG22 ILE A 97 -2.794 0.084 4.697 1.00 32.35 H new ATOM 0 HG23 ILE A 97 -3.638 -1.369 4.110 1.00 32.35 H new ATOM 0 HD11 ILE A 97 -7.747 -0.433 4.560 1.00 74.14 H new ATOM 0 HD12 ILE A 97 -6.800 0.945 5.170 1.00 74.14 H new ATOM 0 HD13 ILE A 97 -6.236 0.038 3.746 1.00 74.14 H new ATOM 1380 N PRO A 98 -3.121 -0.056 8.880 1.00 45.21 N ATOM 1381 CA PRO A 98 -3.393 0.534 10.176 1.00 24.14 C ATOM 1382 C PRO A 98 -4.562 1.513 10.025 1.00 23.13 C ATOM 1383 O PRO A 98 -4.441 2.528 9.332 1.00 64.11 O ATOM 1384 CB PRO A 98 -2.085 1.190 10.619 1.00 42.14 C ATOM 1385 CG PRO A 98 -1.383 1.522 9.302 1.00 22.31 C ATOM 1386 CD PRO A 98 -1.866 0.445 8.331 1.00 74.40 C ATOM 0 HA PRO A 98 -3.697 -0.183 10.938 1.00 24.14 H new ATOM 0 HB2 PRO A 98 -2.267 2.086 11.213 1.00 42.14 H new ATOM 0 HB3 PRO A 98 -1.487 0.517 11.233 1.00 42.14 H new ATOM 0 HG2 PRO A 98 -1.647 2.520 8.952 1.00 22.31 H new ATOM 0 HG3 PRO A 98 -0.299 1.499 9.413 1.00 22.31 H new ATOM 0 HD2 PRO A 98 -2.014 0.857 7.333 1.00 74.40 H new ATOM 0 HD3 PRO A 98 -1.132 -0.356 8.240 1.00 74.40 H new ATOM 1391 N GLN A 99 -5.696 1.196 10.641 1.00 70.13 N ATOM 1392 CA GLN A 99 -6.959 1.921 10.559 1.00 74.20 C ATOM 1393 C GLN A 99 -7.523 2.122 11.969 1.00 23.42 C ATOM 1394 O GLN A 99 -6.863 1.798 12.964 1.00 41.34 O ATOM 1395 CB GLN A 99 -7.932 1.142 9.651 1.00 31.05 C ATOM 1396 CG GLN A 99 -7.512 1.117 8.177 1.00 43.41 C ATOM 1397 CD GLN A 99 -7.655 2.484 7.513 1.00 63.14 C ATOM 1398 OE1 GLN A 99 -8.728 2.832 7.040 1.00 51.51 O ATOM 1399 NE2 GLN A 99 -6.604 3.284 7.462 1.00 12.35 N ATOM 0 H GLN A 99 -5.762 0.378 11.247 1.00 70.13 H new ATOM 0 HA GLN A 99 -6.808 2.907 10.120 1.00 74.20 H new ATOM 0 HB2 GLN A 99 -8.013 0.117 10.014 1.00 31.05 H new ATOM 0 HB3 GLN A 99 -8.924 1.587 9.730 1.00 31.05 H new ATOM 0 HG2 GLN A 99 -6.477 0.785 8.102 1.00 43.41 H new ATOM 0 HG3 GLN A 99 -8.120 0.389 7.640 1.00 43.41 H new ATOM 0 HE21 GLN A 99 -5.714 2.983 7.860 1.00 12.35 H new ATOM 0 HE22 GLN A 99 -6.683 4.202 7.025 1.00 12.35 H new