USER MOD reduce.3.24.130724 H: found=0, std=0, add=747, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 747 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 96 ASN : amide:sc= -0.317 K(o=0.75,f=-5.7!) USER MOD Set 1.2: A 101 ASN : amide:sc= 1.06 K(o=0.75,f=-3.3!) USER MOD Set 2.1: A 85 LYS NZ :NH3+ 163:sc= -0.0996 (180deg=-0.215) USER MOD Set 2.2: A 92 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 80 LYS NZ :NH3+ 166:sc= 1.26 (180deg=0) USER MOD Set 3.2: A 103 GLN : amide:sc= 0.654 K(o=1.9,f=-9.2!) USER MOD Set 4.1: A 75 SER OG : rot 178:sc= 0.644 USER MOD Set 4.2: A 77 LYS NZ :NH3+ -128:sc= 0.419 (180deg=-0.103) USER MOD Set 5.1: A 59 SER OG : rot -160:sc= 1 USER MOD Set 5.2: A 71 THR OG1 : rot -76:sc= 1.27 USER MOD Set 6.1: A 29 ASN : amide:sc= 0.678 K(o=2.1,f=-11!) USER MOD Set 6.2: A 34 LYS NZ :NH3+ -162:sc= 1.39 (180deg=-0.532!) USER MOD Set 7.1: A 28 LYS NZ :NH3+ -156:sc= -0.529! (180deg=-1.92!) USER MOD Set 7.2: A 66 ASN : amide:sc= 0.255 K(o=-0.27,f=-3.3) USER MOD Set 8.1: A 16 TYR OH : rot -119:sc= 0.458 USER MOD Set 8.2: A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 142:sc= -0.748 USER MOD Single : A 10 GLN : amide:sc= -1.29! K(o=-1.3!,f=-0.012) USER MOD Single : A 13 SER OG : rot 103:sc= 0.684 USER MOD Single : A 14 TYR OH : rot 30:sc= -0.907 USER MOD Single : A 15 ASN : amide:sc= 0.141 X(o=0.14,f=0) USER MOD Single : A 20 THR OG1 : rot 91:sc= 1.21 USER MOD Single : A 22 SER OG : rot 180:sc= -0.146 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot -5:sc= 0.845 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ -174:sc= 1.24 (180deg=1.14) USER MOD Single : A 37 THR OG1 : rot 180:sc= -1.15 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot -92:sc= 1.26 USER MOD Single : A 46 ASN : amide:sc= -0.0045 X(o=-0.0045,f=-0.24) USER MOD Single : A 48 ASN : amide:sc= -0.0567 K(o=-0.057,f=-0.95) USER MOD Single : A 49 ASN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 50 ASN : amide:sc= -1.87 K(o=-1.9,f=-1.3) USER MOD Single : A 52 ASN : amide:sc= -0.945 K(o=-0.95,f=-3!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= -0.0509 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 180:sc= -0.811 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot 74:sc= -2.07! USER MOD Single : A 89 SER OG : rot -35:sc= 1.11 USER MOD Single : A 91 LYS NZ :NH3+ 168:sc= -0.0194 (180deg=-0.194) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= 0.039 K(o=0.039,f=-15!) USER MOD Single : A 98 ASN : amide:sc= 0 X(o=0,f=-0.0027) USER MOD Single : A 99 SER OG : rot -14:sc= 1 USER MOD Single : A 102 TYR OH : rot -144:sc= 1.22 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 THR OG1 : rot 180:sc= 0.00195 USER MOD ----------------------------------------------------------------- ATOM 43 N PRO A 4 -2.693 11.081 8.472 1.00 0.00 N ATOM 44 CA PRO A 4 -1.380 10.773 8.995 1.00 0.00 C ATOM 45 C PRO A 4 -1.388 10.734 10.520 1.00 0.00 C ATOM 46 O PRO A 4 -1.996 11.586 11.173 1.00 0.00 O ATOM 47 CB PRO A 4 -0.523 11.931 8.488 1.00 0.00 C ATOM 48 CG PRO A 4 -1.469 13.071 8.243 1.00 0.00 C ATOM 49 CD PRO A 4 -2.880 12.536 8.360 1.00 0.00 C ATOM 0 HA PRO A 4 -1.016 9.795 8.679 1.00 0.00 H new ATOM 0 HB2 PRO A 4 0.236 12.205 9.221 1.00 0.00 H new ATOM 0 HB3 PRO A 4 0.002 11.656 7.573 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -1.302 13.868 8.967 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -1.304 13.499 7.254 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -3.391 12.942 9.233 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -3.481 12.797 7.489 1.00 0.00 H new ATOM 57 N SER A 5 -0.721 9.750 11.089 1.00 0.00 N ATOM 58 CA SER A 5 -0.664 9.617 12.534 1.00 0.00 C ATOM 59 C SER A 5 0.692 9.064 12.948 1.00 0.00 C ATOM 60 O SER A 5 1.485 9.754 13.588 1.00 0.00 O ATOM 61 CB SER A 5 -1.799 8.716 13.037 1.00 0.00 C ATOM 62 OG SER A 5 -1.882 8.738 14.451 1.00 0.00 O ATOM 0 H SER A 5 -0.211 9.031 10.576 1.00 0.00 H new ATOM 0 HA SER A 5 -0.792 10.600 12.986 1.00 0.00 H new ATOM 0 HB2 SER A 5 -2.746 9.046 12.609 1.00 0.00 H new ATOM 0 HB3 SER A 5 -1.634 7.694 12.696 1.00 0.00 H new ATOM 0 HG SER A 5 -2.614 8.157 14.745 1.00 0.00 H new ATOM 68 N SER A 6 0.953 7.823 12.579 1.00 0.00 N ATOM 69 CA SER A 6 2.257 7.229 12.780 1.00 0.00 C ATOM 70 C SER A 6 2.993 7.195 11.448 1.00 0.00 C ATOM 71 O SER A 6 4.218 7.297 11.386 1.00 0.00 O ATOM 72 CB SER A 6 2.098 5.820 13.344 1.00 0.00 C ATOM 73 OG SER A 6 1.249 5.829 14.480 1.00 0.00 O ATOM 0 H SER A 6 0.273 7.206 12.136 1.00 0.00 H new ATOM 0 HA SER A 6 2.833 7.820 13.492 1.00 0.00 H new ATOM 0 HB2 SER A 6 1.685 5.161 12.580 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.074 5.419 13.616 1.00 0.00 H new ATOM 0 HG SER A 6 1.157 4.917 14.827 1.00 0.00 H new ATOM 79 N ALA A 7 2.216 7.063 10.386 1.00 0.00 N ATOM 80 CA ALA A 7 2.731 7.078 9.036 1.00 0.00 C ATOM 81 C ALA A 7 2.061 8.181 8.227 1.00 0.00 C ATOM 82 O ALA A 7 1.135 8.843 8.700 1.00 0.00 O ATOM 83 CB ALA A 7 2.492 5.730 8.383 1.00 0.00 C ATOM 0 H ALA A 7 1.205 6.942 10.441 1.00 0.00 H new ATOM 0 HA ALA A 7 3.803 7.275 9.067 1.00 0.00 H new ATOM 0 HB1 ALA A 7 2.881 5.745 7.365 1.00 0.00 H new ATOM 0 HB2 ALA A 7 3.000 4.954 8.955 1.00 0.00 H new ATOM 0 HB3 ALA A 7 1.422 5.522 8.359 1.00 0.00 H new ATOM 89 N SER A 8 2.534 8.356 7.008 1.00 0.00 N ATOM 90 CA SER A 8 2.017 9.372 6.104 1.00 0.00 C ATOM 91 C SER A 8 0.991 8.771 5.155 1.00 0.00 C ATOM 92 O SER A 8 0.587 9.395 4.171 1.00 0.00 O ATOM 93 CB SER A 8 3.174 9.961 5.304 1.00 0.00 C ATOM 94 OG SER A 8 4.108 10.601 6.160 1.00 0.00 O ATOM 0 H SER A 8 3.290 7.797 6.613 1.00 0.00 H new ATOM 0 HA SER A 8 1.531 10.154 6.687 1.00 0.00 H new ATOM 0 HB2 SER A 8 3.672 9.171 4.742 1.00 0.00 H new ATOM 0 HB3 SER A 8 2.791 10.677 4.577 1.00 0.00 H new ATOM 0 HG SER A 8 5.017 10.434 5.835 1.00 0.00 H new ATOM 100 N VAL A 9 0.582 7.553 5.451 1.00 0.00 N ATOM 101 CA VAL A 9 -0.308 6.819 4.584 1.00 0.00 C ATOM 102 C VAL A 9 -1.182 5.866 5.390 1.00 0.00 C ATOM 103 O VAL A 9 -0.813 5.427 6.482 1.00 0.00 O ATOM 104 CB VAL A 9 0.507 6.050 3.515 1.00 0.00 C ATOM 105 CG1 VAL A 9 1.762 5.477 4.127 1.00 0.00 C ATOM 106 CG2 VAL A 9 -0.299 4.937 2.856 1.00 0.00 C ATOM 0 H VAL A 9 0.857 7.050 6.295 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.965 7.526 4.077 1.00 0.00 H new ATOM 0 HB VAL A 9 0.769 6.768 2.738 1.00 0.00 H new ATOM 0 HG11 VAL A 9 2.326 4.939 3.365 1.00 0.00 H new ATOM 0 HG12 VAL A 9 2.374 6.286 4.527 1.00 0.00 H new ATOM 0 HG13 VAL A 9 1.494 4.792 4.932 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.319 4.430 2.115 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -0.618 4.221 3.614 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -1.175 5.363 2.367 1.00 0.00 H new ATOM 116 N GLN A 10 -2.347 5.592 4.842 1.00 0.00 N ATOM 117 CA GLN A 10 -3.300 4.664 5.419 1.00 0.00 C ATOM 118 C GLN A 10 -4.089 4.033 4.287 1.00 0.00 C ATOM 119 O GLN A 10 -4.844 4.720 3.603 1.00 0.00 O ATOM 120 CB GLN A 10 -4.248 5.395 6.381 1.00 0.00 C ATOM 121 CG GLN A 10 -5.317 4.500 6.995 1.00 0.00 C ATOM 122 CD GLN A 10 -6.314 5.269 7.849 1.00 0.00 C ATOM 123 OE1 GLN A 10 -6.872 4.737 8.809 1.00 0.00 O ATOM 124 NE2 GLN A 10 -6.549 6.526 7.503 1.00 0.00 N ATOM 0 H GLN A 10 -2.665 6.014 3.969 1.00 0.00 H new ATOM 0 HA GLN A 10 -2.774 3.896 5.986 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -3.661 5.845 7.182 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -4.735 6.210 5.846 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -5.852 3.982 6.199 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -4.837 3.735 7.606 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -6.067 6.933 6.701 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -7.211 7.087 8.039 1.00 0.00 H new ATOM 133 N LEU A 11 -3.905 2.745 4.052 1.00 0.00 N ATOM 134 CA LEU A 11 -4.617 2.103 2.964 1.00 0.00 C ATOM 135 C LEU A 11 -6.094 2.050 3.274 1.00 0.00 C ATOM 136 O LEU A 11 -6.508 1.674 4.373 1.00 0.00 O ATOM 137 CB LEU A 11 -4.091 0.697 2.681 1.00 0.00 C ATOM 138 CG LEU A 11 -4.665 0.049 1.415 1.00 0.00 C ATOM 139 CD1 LEU A 11 -3.603 -0.772 0.711 1.00 0.00 C ATOM 140 CD2 LEU A 11 -5.830 -0.842 1.720 1.00 0.00 C ATOM 0 H LEU A 11 -3.284 2.137 4.586 1.00 0.00 H new ATOM 0 HA LEU A 11 -4.451 2.700 2.067 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -3.005 0.739 2.593 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -4.317 0.059 3.535 1.00 0.00 H new ATOM 0 HG LEU A 11 -5.003 0.862 0.772 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -4.028 -1.225 -0.185 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.770 -0.127 0.432 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -3.247 -1.556 1.379 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -6.205 -1.280 0.795 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -5.513 -1.637 2.395 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -6.621 -0.259 2.192 1.00 0.00 H new ATOM 152 N ASP A 12 -6.872 2.450 2.284 1.00 0.00 N ATOM 153 CA ASP A 12 -8.310 2.519 2.408 1.00 0.00 C ATOM 154 C ASP A 12 -8.894 1.131 2.507 1.00 0.00 C ATOM 155 O ASP A 12 -9.474 0.763 3.523 1.00 0.00 O ATOM 156 CB ASP A 12 -8.907 3.232 1.195 1.00 0.00 C ATOM 157 CG ASP A 12 -10.394 3.496 1.347 1.00 0.00 C ATOM 158 OD1 ASP A 12 -11.200 2.589 1.049 1.00 0.00 O ATOM 159 OD2 ASP A 12 -10.764 4.611 1.765 1.00 0.00 O ATOM 0 H ASP A 12 -6.520 2.736 1.371 1.00 0.00 H new ATOM 0 HA ASP A 12 -8.552 3.076 3.313 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -8.388 4.178 1.042 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -8.738 2.628 0.304 1.00 0.00 H new ATOM 164 N SER A 13 -8.682 0.348 1.462 1.00 0.00 N ATOM 165 CA SER A 13 -9.398 -0.932 1.311 1.00 0.00 C ATOM 166 C SER A 13 -8.809 -1.786 0.214 1.00 0.00 C ATOM 167 O SER A 13 -8.190 -1.288 -0.724 1.00 0.00 O ATOM 168 CB SER A 13 -10.889 -0.704 0.997 1.00 0.00 C ATOM 169 OG SER A 13 -11.536 0.098 1.970 1.00 0.00 O ATOM 0 H SER A 13 -8.030 0.562 0.707 1.00 0.00 H new ATOM 0 HA SER A 13 -9.292 -1.451 2.264 1.00 0.00 H new ATOM 0 HB2 SER A 13 -10.982 -0.229 0.020 1.00 0.00 H new ATOM 0 HB3 SER A 13 -11.394 -1.668 0.932 1.00 0.00 H new ATOM 0 HG SER A 13 -11.648 1.008 1.623 1.00 0.00 H new ATOM 175 N TYR A 14 -9.016 -3.082 0.361 1.00 0.00 N ATOM 176 CA TYR A 14 -8.579 -4.054 -0.611 1.00 0.00 C ATOM 177 C TYR A 14 -9.422 -5.319 -0.470 1.00 0.00 C ATOM 178 O TYR A 14 -9.945 -5.603 0.610 1.00 0.00 O ATOM 179 CB TYR A 14 -7.094 -4.353 -0.405 1.00 0.00 C ATOM 180 CG TYR A 14 -6.786 -5.035 0.907 1.00 0.00 C ATOM 181 CD1 TYR A 14 -6.905 -6.400 1.006 1.00 0.00 C ATOM 182 CD2 TYR A 14 -6.369 -4.330 2.027 1.00 0.00 C ATOM 183 CE1 TYR A 14 -6.627 -7.068 2.173 1.00 0.00 C ATOM 184 CE2 TYR A 14 -6.087 -4.985 3.212 1.00 0.00 C ATOM 185 CZ TYR A 14 -6.219 -6.360 3.280 1.00 0.00 C ATOM 186 OH TYR A 14 -5.942 -7.025 4.454 1.00 0.00 O ATOM 0 H TYR A 14 -9.496 -3.487 1.165 1.00 0.00 H new ATOM 0 HA TYR A 14 -8.709 -3.662 -1.620 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -6.743 -4.983 -1.222 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -6.534 -3.419 -0.459 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -7.226 -6.963 0.142 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -6.263 -3.257 1.973 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -6.728 -8.142 2.222 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -5.766 -4.426 4.079 1.00 0.00 H new ATOM 0 HH TYR A 14 -5.618 -7.927 4.250 1.00 0.00 H new ATOM 196 N ASN A 15 -9.567 -6.058 -1.556 1.00 0.00 N ATOM 197 CA ASN A 15 -10.363 -7.278 -1.554 1.00 0.00 C ATOM 198 C ASN A 15 -9.572 -8.440 -2.112 1.00 0.00 C ATOM 199 O ASN A 15 -8.542 -8.254 -2.769 1.00 0.00 O ATOM 200 CB ASN A 15 -11.636 -7.115 -2.391 1.00 0.00 C ATOM 201 CG ASN A 15 -12.542 -6.010 -1.898 1.00 0.00 C ATOM 202 OD1 ASN A 15 -13.394 -6.227 -1.037 1.00 0.00 O ATOM 203 ND2 ASN A 15 -12.372 -4.823 -2.450 1.00 0.00 N ATOM 0 H ASN A 15 -9.142 -5.835 -2.456 1.00 0.00 H new ATOM 0 HA ASN A 15 -10.633 -7.477 -0.517 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -11.358 -6.912 -3.425 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -12.187 -8.055 -2.387 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -12.960 -4.040 -2.166 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -11.653 -4.689 -3.161 1.00 0.00 H new ATOM 210 N TYR A 16 -10.085 -9.632 -1.862 1.00 0.00 N ATOM 211 CA TYR A 16 -9.506 -10.855 -2.382 1.00 0.00 C ATOM 212 C TYR A 16 -10.625 -11.838 -2.684 1.00 0.00 C ATOM 213 O TYR A 16 -11.681 -11.799 -2.049 1.00 0.00 O ATOM 214 CB TYR A 16 -8.533 -11.473 -1.376 1.00 0.00 C ATOM 215 CG TYR A 16 -7.706 -12.619 -1.928 1.00 0.00 C ATOM 216 CD1 TYR A 16 -6.655 -12.389 -2.807 1.00 0.00 C ATOM 217 CD2 TYR A 16 -7.976 -13.930 -1.560 1.00 0.00 C ATOM 218 CE1 TYR A 16 -5.899 -13.433 -3.304 1.00 0.00 C ATOM 219 CE2 TYR A 16 -7.223 -14.980 -2.053 1.00 0.00 C ATOM 220 CZ TYR A 16 -6.187 -14.726 -2.925 1.00 0.00 C ATOM 221 OH TYR A 16 -5.433 -15.766 -3.418 1.00 0.00 O ATOM 0 H TYR A 16 -10.917 -9.778 -1.291 1.00 0.00 H new ATOM 0 HA TYR A 16 -8.950 -10.625 -3.291 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -7.860 -10.696 -1.015 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -9.098 -11.830 -0.515 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -6.425 -11.377 -3.107 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -8.788 -14.133 -0.877 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -5.086 -13.236 -3.987 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -7.446 -15.994 -1.756 1.00 0.00 H new ATOM 0 HH TYR A 16 -6.009 -16.377 -3.923 1.00 0.00 H new ATOM 231 N ASP A 17 -10.383 -12.711 -3.643 1.00 0.00 N ATOM 232 CA ASP A 17 -11.368 -13.701 -4.071 1.00 0.00 C ATOM 233 C ASP A 17 -10.733 -14.663 -5.058 1.00 0.00 C ATOM 234 O ASP A 17 -10.236 -14.234 -6.099 1.00 0.00 O ATOM 235 CB ASP A 17 -12.575 -13.022 -4.719 1.00 0.00 C ATOM 236 CG ASP A 17 -13.652 -14.013 -5.103 1.00 0.00 C ATOM 237 OD1 ASP A 17 -14.346 -14.518 -4.195 1.00 0.00 O ATOM 238 OD2 ASP A 17 -13.813 -14.285 -6.312 1.00 0.00 O ATOM 0 H ASP A 17 -9.500 -12.759 -4.151 1.00 0.00 H new ATOM 0 HA ASP A 17 -11.709 -14.249 -3.193 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -12.990 -12.287 -4.029 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -12.251 -12.479 -5.607 1.00 0.00 H new ATOM 243 N GLY A 18 -10.755 -15.952 -4.733 1.00 0.00 N ATOM 244 CA GLY A 18 -10.028 -16.931 -5.522 1.00 0.00 C ATOM 245 C GLY A 18 -8.555 -16.600 -5.532 1.00 0.00 C ATOM 246 O GLY A 18 -7.826 -16.930 -4.596 1.00 0.00 O ATOM 0 H GLY A 18 -11.264 -16.337 -3.937 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -10.182 -17.928 -5.110 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -10.412 -16.945 -6.542 1.00 0.00 H new ATOM 250 N SER A 19 -8.111 -15.952 -6.590 1.00 0.00 N ATOM 251 CA SER A 19 -6.853 -15.246 -6.571 1.00 0.00 C ATOM 252 C SER A 19 -7.028 -13.928 -7.319 1.00 0.00 C ATOM 253 O SER A 19 -6.748 -13.824 -8.515 1.00 0.00 O ATOM 254 CB SER A 19 -5.777 -16.113 -7.217 1.00 0.00 C ATOM 255 OG SER A 19 -5.639 -17.345 -6.524 1.00 0.00 O ATOM 0 H SER A 19 -8.610 -15.902 -7.478 1.00 0.00 H new ATOM 0 HA SER A 19 -6.543 -15.032 -5.548 1.00 0.00 H new ATOM 0 HB2 SER A 19 -6.034 -16.303 -8.259 1.00 0.00 H new ATOM 0 HB3 SER A 19 -4.826 -15.581 -7.216 1.00 0.00 H new ATOM 0 HG SER A 19 -4.945 -17.887 -6.955 1.00 0.00 H new ATOM 261 N THR A 20 -7.493 -12.922 -6.591 1.00 0.00 N ATOM 262 CA THR A 20 -7.748 -11.605 -7.153 1.00 0.00 C ATOM 263 C THR A 20 -7.440 -10.526 -6.121 1.00 0.00 C ATOM 264 O THR A 20 -7.750 -10.696 -4.946 1.00 0.00 O ATOM 265 CB THR A 20 -9.220 -11.457 -7.597 1.00 0.00 C ATOM 266 OG1 THR A 20 -9.670 -12.653 -8.251 1.00 0.00 O ATOM 267 CG2 THR A 20 -9.382 -10.278 -8.547 1.00 0.00 C ATOM 0 H THR A 20 -7.703 -12.997 -5.596 1.00 0.00 H new ATOM 0 HA THR A 20 -7.102 -11.491 -8.024 1.00 0.00 H new ATOM 0 HB THR A 20 -9.821 -11.283 -6.704 1.00 0.00 H new ATOM 0 HG1 THR A 20 -10.059 -13.262 -7.589 1.00 0.00 H new ATOM 0 HG21 THR A 20 -10.427 -10.193 -8.847 1.00 0.00 H new ATOM 0 HG22 THR A 20 -9.073 -9.361 -8.045 1.00 0.00 H new ATOM 0 HG23 THR A 20 -8.763 -10.435 -9.430 1.00 0.00 H new ATOM 275 N PHE A 21 -6.842 -9.431 -6.551 1.00 0.00 N ATOM 276 CA PHE A 21 -6.659 -8.278 -5.684 1.00 0.00 C ATOM 277 C PHE A 21 -7.405 -7.097 -6.277 1.00 0.00 C ATOM 278 O PHE A 21 -7.413 -6.909 -7.490 1.00 0.00 O ATOM 279 CB PHE A 21 -5.172 -7.932 -5.527 1.00 0.00 C ATOM 280 CG PHE A 21 -4.884 -6.882 -4.480 1.00 0.00 C ATOM 281 CD1 PHE A 21 -5.116 -5.537 -4.729 1.00 0.00 C ATOM 282 CD2 PHE A 21 -4.383 -7.247 -3.242 1.00 0.00 C ATOM 283 CE1 PHE A 21 -4.855 -4.580 -3.767 1.00 0.00 C ATOM 284 CE2 PHE A 21 -4.118 -6.292 -2.271 1.00 0.00 C ATOM 285 CZ PHE A 21 -4.355 -4.958 -2.538 1.00 0.00 C ATOM 0 H PHE A 21 -6.474 -9.314 -7.495 1.00 0.00 H new ATOM 0 HA PHE A 21 -7.052 -8.514 -4.695 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -4.625 -8.840 -5.274 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -4.788 -7.586 -6.487 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -5.506 -5.233 -5.689 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -4.196 -8.289 -3.029 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -5.042 -3.537 -3.977 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -3.728 -6.591 -1.309 1.00 0.00 H new ATOM 0 HZ PHE A 21 -4.149 -4.211 -1.785 1.00 0.00 H new ATOM 295 N SER A 22 -8.048 -6.323 -5.434 1.00 0.00 N ATOM 296 CA SER A 22 -8.727 -5.116 -5.885 1.00 0.00 C ATOM 297 C SER A 22 -8.963 -4.168 -4.723 1.00 0.00 C ATOM 298 O SER A 22 -9.528 -4.556 -3.706 1.00 0.00 O ATOM 299 CB SER A 22 -10.054 -5.465 -6.560 1.00 0.00 C ATOM 300 OG SER A 22 -10.852 -6.301 -5.733 1.00 0.00 O ATOM 0 H SER A 22 -8.119 -6.501 -4.432 1.00 0.00 H new ATOM 0 HA SER A 22 -8.087 -4.619 -6.614 1.00 0.00 H new ATOM 0 HB2 SER A 22 -10.599 -4.549 -6.789 1.00 0.00 H new ATOM 0 HB3 SER A 22 -9.861 -5.966 -7.508 1.00 0.00 H new ATOM 0 HG SER A 22 -11.694 -6.506 -6.190 1.00 0.00 H new ATOM 306 N GLY A 23 -8.527 -2.932 -4.863 1.00 0.00 N ATOM 307 CA GLY A 23 -8.694 -1.988 -3.788 1.00 0.00 C ATOM 308 C GLY A 23 -8.096 -0.643 -4.092 1.00 0.00 C ATOM 309 O GLY A 23 -7.876 -0.293 -5.255 1.00 0.00 O ATOM 0 H GLY A 23 -8.064 -2.567 -5.695 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -9.757 -1.868 -3.578 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -8.234 -2.389 -2.885 1.00 0.00 H new ATOM 313 N LYS A 24 -7.830 0.109 -3.040 1.00 0.00 N ATOM 314 CA LYS A 24 -7.283 1.439 -3.169 1.00 0.00 C ATOM 315 C LYS A 24 -6.636 1.886 -1.861 1.00 0.00 C ATOM 316 O LYS A 24 -6.922 1.350 -0.788 1.00 0.00 O ATOM 317 CB LYS A 24 -8.358 2.435 -3.623 1.00 0.00 C ATOM 318 CG LYS A 24 -9.539 2.608 -2.669 1.00 0.00 C ATOM 319 CD LYS A 24 -10.546 1.469 -2.770 1.00 0.00 C ATOM 320 CE LYS A 24 -11.781 1.750 -1.931 1.00 0.00 C ATOM 321 NZ LYS A 24 -12.809 0.686 -2.081 1.00 0.00 N ATOM 0 H LYS A 24 -7.988 -0.187 -2.077 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.509 1.414 -3.937 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -7.888 3.407 -3.772 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -8.740 2.114 -4.592 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -9.169 2.671 -1.646 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -10.040 3.551 -2.885 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -10.835 1.327 -3.811 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -10.082 0.540 -2.439 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -11.496 1.834 -0.882 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -12.207 2.710 -2.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -13.635 0.916 -1.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -13.101 0.623 -3.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -12.411 -0.226 -1.778 1.00 0.00 H new ATOM 335 N ILE A 25 -5.772 2.874 -1.970 1.00 0.00 N ATOM 336 CA ILE A 25 -4.909 3.299 -0.883 1.00 0.00 C ATOM 337 C ILE A 25 -5.031 4.815 -0.691 1.00 0.00 C ATOM 338 O ILE A 25 -5.393 5.534 -1.626 1.00 0.00 O ATOM 339 CB ILE A 25 -3.449 2.937 -1.219 1.00 0.00 C ATOM 340 CG1 ILE A 25 -3.310 1.471 -1.619 1.00 0.00 C ATOM 341 CG2 ILE A 25 -2.498 3.266 -0.078 1.00 0.00 C ATOM 342 CD1 ILE A 25 -1.881 1.072 -1.918 1.00 0.00 C ATOM 0 H ILE A 25 -5.646 3.413 -2.827 1.00 0.00 H new ATOM 0 HA ILE A 25 -5.207 2.795 0.036 1.00 0.00 H new ATOM 0 HB ILE A 25 -3.169 3.554 -2.073 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -3.696 0.843 -0.816 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -3.926 1.280 -2.498 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -1.481 2.993 -0.362 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -2.541 4.334 0.135 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -2.789 2.707 0.811 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -1.848 0.019 -2.196 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -1.499 1.677 -2.740 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -1.266 1.233 -1.033 1.00 0.00 H new ATOM 354 N TYR A 26 -4.723 5.296 0.508 1.00 0.00 N ATOM 355 CA TYR A 26 -4.887 6.704 0.842 1.00 0.00 C ATOM 356 C TYR A 26 -3.604 7.244 1.487 1.00 0.00 C ATOM 357 O TYR A 26 -3.216 6.785 2.559 1.00 0.00 O ATOM 358 CB TYR A 26 -6.060 6.810 1.816 1.00 0.00 C ATOM 359 CG TYR A 26 -6.658 8.183 1.958 1.00 0.00 C ATOM 360 CD1 TYR A 26 -5.938 9.221 2.521 1.00 0.00 C ATOM 361 CD2 TYR A 26 -7.960 8.430 1.542 1.00 0.00 C ATOM 362 CE1 TYR A 26 -6.498 10.474 2.667 1.00 0.00 C ATOM 363 CE2 TYR A 26 -8.527 9.678 1.682 1.00 0.00 C ATOM 364 CZ TYR A 26 -7.792 10.698 2.246 1.00 0.00 C ATOM 365 OH TYR A 26 -8.351 11.946 2.383 1.00 0.00 O ATOM 0 H TYR A 26 -4.356 4.726 1.270 1.00 0.00 H new ATOM 0 HA TYR A 26 -5.083 7.294 -0.054 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -6.842 6.123 1.493 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -5.727 6.474 2.798 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -4.924 9.049 2.851 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -8.537 7.631 1.102 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -5.925 11.276 3.109 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -9.540 9.855 1.352 1.00 0.00 H new ATOM 0 HH TYR A 26 -7.733 12.530 2.870 1.00 0.00 H new ATOM 375 N VAL A 27 -2.925 8.198 0.846 1.00 0.00 N ATOM 376 CA VAL A 27 -1.660 8.708 1.404 1.00 0.00 C ATOM 377 C VAL A 27 -1.549 10.229 1.247 1.00 0.00 C ATOM 378 O VAL A 27 -2.081 10.808 0.297 1.00 0.00 O ATOM 379 CB VAL A 27 -0.409 8.010 0.773 1.00 0.00 C ATOM 380 CG1 VAL A 27 -0.793 6.717 0.068 1.00 0.00 C ATOM 381 CG2 VAL A 27 0.353 8.922 -0.177 1.00 0.00 C ATOM 0 H VAL A 27 -3.214 8.626 -0.034 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.676 8.467 2.467 1.00 0.00 H new ATOM 0 HB VAL A 27 0.258 7.773 1.602 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.098 6.257 -0.359 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.246 6.033 0.785 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.506 6.934 -0.727 1.00 0.00 H new ATOM 0 HG21 VAL A 27 1.210 8.387 -0.586 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.304 9.230 -0.991 1.00 0.00 H new ATOM 0 HG23 VAL A 27 0.699 9.803 0.364 1.00 0.00 H new ATOM 391 N LYS A 28 -0.858 10.869 2.193 1.00 0.00 N ATOM 392 CA LYS A 28 -0.641 12.311 2.154 1.00 0.00 C ATOM 393 C LYS A 28 0.685 12.611 1.470 1.00 0.00 C ATOM 394 O LYS A 28 1.590 11.779 1.468 1.00 0.00 O ATOM 395 CB LYS A 28 -0.690 12.924 3.570 1.00 0.00 C ATOM 396 CG LYS A 28 0.439 12.514 4.510 1.00 0.00 C ATOM 397 CD LYS A 28 1.693 13.375 4.350 1.00 0.00 C ATOM 398 CE LYS A 28 1.503 14.801 4.859 1.00 0.00 C ATOM 399 NZ LYS A 28 0.918 15.714 3.834 1.00 0.00 N ATOM 0 H LYS A 28 -0.438 10.405 2.999 1.00 0.00 H new ATOM 0 HA LYS A 28 -1.445 12.770 1.578 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -0.683 14.010 3.476 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -1.639 12.650 4.031 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.089 12.580 5.540 1.00 0.00 H new ATOM 0 HG3 LYS A 28 0.696 11.471 4.327 1.00 0.00 H new ATOM 0 HD2 LYS A 28 2.518 12.909 4.888 1.00 0.00 H new ATOM 0 HD3 LYS A 28 1.975 13.405 3.298 1.00 0.00 H new ATOM 0 HE2 LYS A 28 0.855 14.785 5.735 1.00 0.00 H new ATOM 0 HE3 LYS A 28 2.466 15.197 5.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 1.177 16.697 4.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 1.287 15.463 2.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -0.118 15.620 3.836 1.00 0.00 H new ATOM 413 N ASN A 29 0.779 13.783 0.866 1.00 0.00 N ATOM 414 CA ASN A 29 1.970 14.166 0.108 1.00 0.00 C ATOM 415 C ASN A 29 3.098 14.641 1.025 1.00 0.00 C ATOM 416 O ASN A 29 2.893 15.513 1.866 1.00 0.00 O ATOM 417 CB ASN A 29 1.627 15.282 -0.889 1.00 0.00 C ATOM 418 CG ASN A 29 0.563 14.872 -1.886 1.00 0.00 C ATOM 419 OD1 ASN A 29 0.435 13.699 -2.225 1.00 0.00 O ATOM 420 ND2 ASN A 29 -0.210 15.833 -2.362 1.00 0.00 N ATOM 0 H ASN A 29 0.045 14.492 0.883 1.00 0.00 H new ATOM 0 HA ASN A 29 2.313 13.280 -0.427 1.00 0.00 H new ATOM 0 HB2 ASN A 29 1.286 16.160 -0.341 1.00 0.00 H new ATOM 0 HB3 ASN A 29 2.530 15.573 -1.427 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -0.944 15.611 -3.035 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -0.073 16.796 -2.056 1.00 0.00 H new ATOM 427 N ILE A 30 4.277 14.032 0.879 1.00 0.00 N ATOM 428 CA ILE A 30 5.497 14.563 1.492 1.00 0.00 C ATOM 429 C ILE A 30 6.186 15.450 0.469 1.00 0.00 C ATOM 430 O ILE A 30 6.584 16.581 0.748 1.00 0.00 O ATOM 431 CB ILE A 30 6.501 13.459 1.909 1.00 0.00 C ATOM 432 CG1 ILE A 30 5.815 12.337 2.684 1.00 0.00 C ATOM 433 CG2 ILE A 30 7.633 14.053 2.737 1.00 0.00 C ATOM 434 CD1 ILE A 30 5.099 12.783 3.936 1.00 0.00 C ATOM 0 H ILE A 30 4.413 13.174 0.344 1.00 0.00 H new ATOM 0 HA ILE A 30 5.203 15.101 2.393 1.00 0.00 H new ATOM 0 HB ILE A 30 6.914 13.030 0.996 1.00 0.00 H new ATOM 0 HG12 ILE A 30 5.098 11.845 2.027 1.00 0.00 H new ATOM 0 HG13 ILE A 30 6.562 11.591 2.955 1.00 0.00 H new ATOM 0 HG21 ILE A 30 8.329 13.264 3.021 1.00 0.00 H new ATOM 0 HG22 ILE A 30 8.158 14.805 2.148 1.00 0.00 H new ATOM 0 HG23 ILE A 30 7.223 14.516 3.635 1.00 0.00 H new ATOM 0 HD11 ILE A 30 4.642 11.920 4.421 1.00 0.00 H new ATOM 0 HD12 ILE A 30 5.812 13.247 4.618 1.00 0.00 H new ATOM 0 HD13 ILE A 30 4.325 13.505 3.675 1.00 0.00 H new ATOM 446 N ALA A 31 6.313 14.895 -0.723 1.00 0.00 N ATOM 447 CA ALA A 31 6.836 15.593 -1.866 1.00 0.00 C ATOM 448 C ALA A 31 5.834 15.452 -2.996 1.00 0.00 C ATOM 449 O ALA A 31 4.655 15.194 -2.745 1.00 0.00 O ATOM 450 CB ALA A 31 8.192 15.028 -2.263 1.00 0.00 C ATOM 0 H ALA A 31 6.049 13.930 -0.919 1.00 0.00 H new ATOM 0 HA ALA A 31 6.984 16.647 -1.632 1.00 0.00 H new ATOM 0 HB1 ALA A 31 8.572 15.569 -3.130 1.00 0.00 H new ATOM 0 HB2 ALA A 31 8.889 15.138 -1.432 1.00 0.00 H new ATOM 0 HB3 ALA A 31 8.087 13.972 -2.512 1.00 0.00 H new ATOM 456 N TYR A 32 6.279 15.576 -4.227 1.00 0.00 N ATOM 457 CA TYR A 32 5.363 15.500 -5.345 1.00 0.00 C ATOM 458 C TYR A 32 5.592 14.220 -6.133 1.00 0.00 C ATOM 459 O TYR A 32 4.658 13.449 -6.366 1.00 0.00 O ATOM 460 CB TYR A 32 5.536 16.736 -6.219 1.00 0.00 C ATOM 461 CG TYR A 32 4.260 17.236 -6.863 1.00 0.00 C ATOM 462 CD1 TYR A 32 3.055 17.225 -6.173 1.00 0.00 C ATOM 463 CD2 TYR A 32 4.269 17.748 -8.153 1.00 0.00 C ATOM 464 CE1 TYR A 32 1.897 17.708 -6.746 1.00 0.00 C ATOM 465 CE2 TYR A 32 3.113 18.228 -8.736 1.00 0.00 C ATOM 466 CZ TYR A 32 1.930 18.206 -8.027 1.00 0.00 C ATOM 467 OH TYR A 32 0.777 18.693 -8.597 1.00 0.00 O ATOM 0 H TYR A 32 7.256 15.728 -4.478 1.00 0.00 H new ATOM 0 HA TYR A 32 4.336 15.475 -4.979 1.00 0.00 H new ATOM 0 HB2 TYR A 32 5.960 17.537 -5.613 1.00 0.00 H new ATOM 0 HB3 TYR A 32 6.260 16.512 -7.003 1.00 0.00 H new ATOM 0 HD1 TYR A 32 3.024 16.831 -5.168 1.00 0.00 H new ATOM 0 HD2 TYR A 32 5.194 17.771 -8.709 1.00 0.00 H new ATOM 0 HE1 TYR A 32 0.970 17.695 -6.192 1.00 0.00 H new ATOM 0 HE2 TYR A 32 3.135 18.619 -9.743 1.00 0.00 H new ATOM 0 HH TYR A 32 0.969 19.009 -9.505 1.00 0.00 H new ATOM 477 N SER A 33 6.833 13.977 -6.512 1.00 0.00 N ATOM 478 CA SER A 33 7.173 12.771 -7.237 1.00 0.00 C ATOM 479 C SER A 33 7.358 11.607 -6.263 1.00 0.00 C ATOM 480 O SER A 33 8.470 11.312 -5.825 1.00 0.00 O ATOM 481 CB SER A 33 8.446 12.997 -8.047 1.00 0.00 C ATOM 482 OG SER A 33 8.335 14.159 -8.855 1.00 0.00 O ATOM 0 H SER A 33 7.620 14.599 -6.329 1.00 0.00 H new ATOM 0 HA SER A 33 6.361 12.523 -7.921 1.00 0.00 H new ATOM 0 HB2 SER A 33 9.297 13.098 -7.373 1.00 0.00 H new ATOM 0 HB3 SER A 33 8.640 12.129 -8.677 1.00 0.00 H new ATOM 0 HG SER A 33 9.163 14.284 -9.363 1.00 0.00 H new ATOM 488 N LYS A 34 6.259 10.953 -5.916 1.00 0.00 N ATOM 489 CA LYS A 34 6.282 9.901 -4.920 1.00 0.00 C ATOM 490 C LYS A 34 6.221 8.530 -5.577 1.00 0.00 C ATOM 491 O LYS A 34 6.062 8.414 -6.793 1.00 0.00 O ATOM 492 CB LYS A 34 5.087 10.068 -3.996 1.00 0.00 C ATOM 493 CG LYS A 34 5.010 11.422 -3.331 1.00 0.00 C ATOM 494 CD LYS A 34 3.590 11.713 -2.886 1.00 0.00 C ATOM 495 CE LYS A 34 2.645 11.681 -4.078 1.00 0.00 C ATOM 496 NZ LYS A 34 1.221 11.719 -3.671 1.00 0.00 N ATOM 0 H LYS A 34 5.338 11.136 -6.314 1.00 0.00 H new ATOM 0 HA LYS A 34 7.212 9.973 -4.356 1.00 0.00 H new ATOM 0 HB2 LYS A 34 4.173 9.902 -4.567 1.00 0.00 H new ATOM 0 HB3 LYS A 34 5.126 9.298 -3.226 1.00 0.00 H new ATOM 0 HG2 LYS A 34 5.680 11.451 -2.472 1.00 0.00 H new ATOM 0 HG3 LYS A 34 5.346 12.194 -4.023 1.00 0.00 H new ATOM 0 HD2 LYS A 34 3.276 10.978 -2.145 1.00 0.00 H new ATOM 0 HD3 LYS A 34 3.546 12.690 -2.404 1.00 0.00 H new ATOM 0 HE2 LYS A 34 2.857 12.529 -4.729 1.00 0.00 H new ATOM 0 HE3 LYS A 34 2.830 10.778 -4.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 0.626 11.394 -4.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 1.078 11.097 -2.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 0.958 12.693 -3.417 1.00 0.00 H new ATOM 510 N LYS A 35 6.343 7.502 -4.760 1.00 0.00 N ATOM 511 CA LYS A 35 6.179 6.136 -5.212 1.00 0.00 C ATOM 512 C LYS A 35 5.252 5.410 -4.267 1.00 0.00 C ATOM 513 O LYS A 35 5.340 5.586 -3.050 1.00 0.00 O ATOM 514 CB LYS A 35 7.500 5.371 -5.234 1.00 0.00 C ATOM 515 CG LYS A 35 8.594 5.972 -6.089 1.00 0.00 C ATOM 516 CD LYS A 35 9.799 5.054 -6.080 1.00 0.00 C ATOM 517 CE LYS A 35 11.036 5.705 -6.657 1.00 0.00 C ATOM 518 NZ LYS A 35 12.213 4.815 -6.506 1.00 0.00 N ATOM 0 H LYS A 35 6.558 7.591 -3.767 1.00 0.00 H new ATOM 0 HA LYS A 35 5.779 6.178 -6.225 1.00 0.00 H new ATOM 0 HB2 LYS A 35 7.868 5.289 -4.211 1.00 0.00 H new ATOM 0 HB3 LYS A 35 7.306 4.358 -5.585 1.00 0.00 H new ATOM 0 HG2 LYS A 35 8.238 6.113 -7.109 1.00 0.00 H new ATOM 0 HG3 LYS A 35 8.869 6.956 -5.709 1.00 0.00 H new ATOM 0 HD2 LYS A 35 10.003 4.740 -5.056 1.00 0.00 H new ATOM 0 HD3 LYS A 35 9.568 4.154 -6.650 1.00 0.00 H new ATOM 0 HE2 LYS A 35 10.877 5.930 -7.711 1.00 0.00 H new ATOM 0 HE3 LYS A 35 11.223 6.653 -6.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 13.070 5.317 -6.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 12.314 4.539 -5.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 12.082 3.964 -7.089 1.00 0.00 H new ATOM 532 N VAL A 36 4.372 4.602 -4.813 1.00 0.00 N ATOM 533 CA VAL A 36 3.566 3.728 -3.996 1.00 0.00 C ATOM 534 C VAL A 36 3.614 2.323 -4.544 1.00 0.00 C ATOM 535 O VAL A 36 3.064 2.017 -5.604 1.00 0.00 O ATOM 536 CB VAL A 36 2.115 4.208 -3.846 1.00 0.00 C ATOM 537 CG1 VAL A 36 1.284 3.157 -3.159 1.00 0.00 C ATOM 538 CG2 VAL A 36 2.087 5.472 -3.023 1.00 0.00 C ATOM 0 H VAL A 36 4.197 4.533 -5.816 1.00 0.00 H new ATOM 0 HA VAL A 36 3.993 3.743 -2.993 1.00 0.00 H new ATOM 0 HB VAL A 36 1.704 4.397 -4.838 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.258 3.512 -3.060 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.296 2.241 -3.749 1.00 0.00 H new ATOM 0 HG13 VAL A 36 1.696 2.957 -2.170 1.00 0.00 H new ATOM 0 HG21 VAL A 36 1.057 5.814 -2.916 1.00 0.00 H new ATOM 0 HG22 VAL A 36 2.508 5.274 -2.037 1.00 0.00 H new ATOM 0 HG23 VAL A 36 2.675 6.243 -3.520 1.00 0.00 H new ATOM 548 N THR A 37 4.302 1.485 -3.810 1.00 0.00 N ATOM 549 CA THR A 37 4.555 0.124 -4.222 1.00 0.00 C ATOM 550 C THR A 37 4.029 -0.849 -3.190 1.00 0.00 C ATOM 551 O THR A 37 4.388 -0.776 -2.012 1.00 0.00 O ATOM 552 CB THR A 37 6.059 -0.092 -4.429 1.00 0.00 C ATOM 553 OG1 THR A 37 6.786 0.423 -3.308 1.00 0.00 O ATOM 554 CG2 THR A 37 6.512 0.598 -5.702 1.00 0.00 C ATOM 0 H THR A 37 4.705 1.727 -2.905 1.00 0.00 H new ATOM 0 HA THR A 37 4.037 -0.055 -5.164 1.00 0.00 H new ATOM 0 HB THR A 37 6.254 -1.161 -4.517 1.00 0.00 H new ATOM 0 HG1 THR A 37 7.746 0.280 -3.447 1.00 0.00 H new ATOM 0 HG21 THR A 37 7.581 0.439 -5.841 1.00 0.00 H new ATOM 0 HG22 THR A 37 5.970 0.184 -6.553 1.00 0.00 H new ATOM 0 HG23 THR A 37 6.310 1.667 -5.628 1.00 0.00 H new ATOM 562 N VAL A 38 3.159 -1.732 -3.625 1.00 0.00 N ATOM 563 CA VAL A 38 2.616 -2.750 -2.748 1.00 0.00 C ATOM 564 C VAL A 38 3.564 -3.917 -2.670 1.00 0.00 C ATOM 565 O VAL A 38 4.083 -4.380 -3.680 1.00 0.00 O ATOM 566 CB VAL A 38 1.247 -3.266 -3.218 1.00 0.00 C ATOM 567 CG1 VAL A 38 0.752 -4.423 -2.353 1.00 0.00 C ATOM 568 CG2 VAL A 38 0.234 -2.154 -3.210 1.00 0.00 C ATOM 0 H VAL A 38 2.810 -1.768 -4.583 1.00 0.00 H new ATOM 0 HA VAL A 38 2.487 -2.285 -1.771 1.00 0.00 H new ATOM 0 HB VAL A 38 1.371 -3.634 -4.236 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -0.219 -4.760 -2.717 1.00 0.00 H new ATOM 0 HG12 VAL A 38 1.465 -5.246 -2.404 1.00 0.00 H new ATOM 0 HG13 VAL A 38 0.656 -4.090 -1.320 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -0.730 -2.537 -3.546 1.00 0.00 H new ATOM 0 HG22 VAL A 38 0.135 -1.759 -2.199 1.00 0.00 H new ATOM 0 HG23 VAL A 38 0.561 -1.359 -3.880 1.00 0.00 H new ATOM 578 N VAL A 39 3.777 -4.389 -1.471 1.00 0.00 N ATOM 579 CA VAL A 39 4.640 -5.538 -1.254 1.00 0.00 C ATOM 580 C VAL A 39 3.983 -6.496 -0.284 1.00 0.00 C ATOM 581 O VAL A 39 3.631 -6.125 0.835 1.00 0.00 O ATOM 582 CB VAL A 39 6.050 -5.146 -0.756 1.00 0.00 C ATOM 583 CG1 VAL A 39 6.839 -4.476 -1.869 1.00 0.00 C ATOM 584 CG2 VAL A 39 5.979 -4.234 0.455 1.00 0.00 C ATOM 0 H VAL A 39 3.367 -4.000 -0.622 1.00 0.00 H new ATOM 0 HA VAL A 39 4.777 -6.026 -2.219 1.00 0.00 H new ATOM 0 HB VAL A 39 6.561 -6.062 -0.458 1.00 0.00 H new ATOM 0 HG11 VAL A 39 7.829 -4.206 -1.502 1.00 0.00 H new ATOM 0 HG12 VAL A 39 6.938 -5.163 -2.709 1.00 0.00 H new ATOM 0 HG13 VAL A 39 6.316 -3.577 -2.196 1.00 0.00 H new ATOM 0 HG21 VAL A 39 6.988 -3.979 0.778 1.00 0.00 H new ATOM 0 HG22 VAL A 39 5.440 -3.323 0.193 1.00 0.00 H new ATOM 0 HG23 VAL A 39 5.457 -4.744 1.265 1.00 0.00 H new ATOM 594 N TYR A 40 3.782 -7.726 -0.717 1.00 0.00 N ATOM 595 CA TYR A 40 3.043 -8.662 0.105 1.00 0.00 C ATOM 596 C TYR A 40 3.896 -9.831 0.548 1.00 0.00 C ATOM 597 O TYR A 40 5.035 -9.985 0.139 1.00 0.00 O ATOM 598 CB TYR A 40 1.768 -9.153 -0.605 1.00 0.00 C ATOM 599 CG TYR A 40 1.955 -9.862 -1.933 1.00 0.00 C ATOM 600 CD1 TYR A 40 2.587 -11.093 -2.011 1.00 0.00 C ATOM 601 CD2 TYR A 40 1.460 -9.312 -3.103 1.00 0.00 C ATOM 602 CE1 TYR A 40 2.727 -11.750 -3.216 1.00 0.00 C ATOM 603 CE2 TYR A 40 1.589 -9.965 -4.314 1.00 0.00 C ATOM 604 CZ TYR A 40 2.227 -11.185 -4.363 1.00 0.00 C ATOM 605 OH TYR A 40 2.361 -11.846 -5.560 1.00 0.00 O ATOM 0 H TYR A 40 4.111 -8.093 -1.610 1.00 0.00 H new ATOM 0 HA TYR A 40 2.743 -8.120 1.002 1.00 0.00 H new ATOM 0 HB2 TYR A 40 1.242 -9.828 0.070 1.00 0.00 H new ATOM 0 HB3 TYR A 40 1.117 -8.294 -0.767 1.00 0.00 H new ATOM 0 HD1 TYR A 40 2.977 -11.546 -1.112 1.00 0.00 H new ATOM 0 HD2 TYR A 40 0.963 -8.354 -3.069 1.00 0.00 H new ATOM 0 HE1 TYR A 40 3.228 -12.706 -3.257 1.00 0.00 H new ATOM 0 HE2 TYR A 40 1.192 -9.522 -5.216 1.00 0.00 H new ATOM 0 HH TYR A 40 1.954 -11.314 -6.275 1.00 0.00 H new ATOM 615 N ALA A 41 3.351 -10.621 1.438 1.00 0.00 N ATOM 616 CA ALA A 41 3.955 -11.873 1.802 1.00 0.00 C ATOM 617 C ALA A 41 3.362 -12.952 0.951 1.00 0.00 C ATOM 618 O ALA A 41 2.310 -13.518 1.299 1.00 0.00 O ATOM 619 CB ALA A 41 3.759 -12.204 3.261 1.00 0.00 C ATOM 0 H ALA A 41 2.480 -10.414 1.927 1.00 0.00 H new ATOM 0 HA ALA A 41 5.030 -11.795 1.637 1.00 0.00 H new ATOM 0 HB1 ALA A 41 4.234 -13.159 3.484 1.00 0.00 H new ATOM 0 HB2 ALA A 41 4.208 -11.423 3.875 1.00 0.00 H new ATOM 0 HB3 ALA A 41 2.693 -12.269 3.479 1.00 0.00 H new ATOM 625 N ASP A 42 4.001 -13.081 -0.205 1.00 0.00 N ATOM 626 CA ASP A 42 3.763 -14.119 -1.229 1.00 0.00 C ATOM 627 C ASP A 42 2.568 -15.023 -0.958 1.00 0.00 C ATOM 628 O ASP A 42 1.453 -14.686 -1.310 1.00 0.00 O ATOM 629 CB ASP A 42 5.033 -14.952 -1.441 1.00 0.00 C ATOM 630 CG ASP A 42 4.866 -16.009 -2.513 1.00 0.00 C ATOM 631 OD1 ASP A 42 4.638 -15.643 -3.687 1.00 0.00 O ATOM 632 OD2 ASP A 42 4.961 -17.210 -2.180 1.00 0.00 O ATOM 0 H ASP A 42 4.741 -12.435 -0.479 1.00 0.00 H new ATOM 0 HA ASP A 42 3.509 -13.579 -2.141 1.00 0.00 H new ATOM 0 HB2 ASP A 42 5.855 -14.290 -1.714 1.00 0.00 H new ATOM 0 HB3 ASP A 42 5.308 -15.433 -0.502 1.00 0.00 H new ATOM 637 N GLY A 43 2.809 -16.170 -0.359 1.00 0.00 N ATOM 638 CA GLY A 43 1.734 -17.106 -0.096 1.00 0.00 C ATOM 639 C GLY A 43 1.832 -17.692 1.289 1.00 0.00 C ATOM 640 O GLY A 43 0.827 -18.083 1.886 1.00 0.00 O ATOM 0 H GLY A 43 3.731 -16.476 -0.047 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.775 -16.600 -0.210 1.00 0.00 H new ATOM 0 HA3 GLY A 43 1.761 -17.908 -0.833 1.00 0.00 H new ATOM 644 N SER A 44 3.050 -17.769 1.788 1.00 0.00 N ATOM 645 CA SER A 44 3.294 -18.203 3.143 1.00 0.00 C ATOM 646 C SER A 44 3.761 -17.018 3.986 1.00 0.00 C ATOM 647 O SER A 44 3.093 -16.624 4.942 1.00 0.00 O ATOM 648 CB SER A 44 4.340 -19.325 3.152 1.00 0.00 C ATOM 649 OG SER A 44 4.640 -19.748 4.469 1.00 0.00 O ATOM 0 H SER A 44 3.893 -17.533 1.265 1.00 0.00 H new ATOM 0 HA SER A 44 2.371 -18.592 3.572 1.00 0.00 H new ATOM 0 HB2 SER A 44 3.971 -20.171 2.573 1.00 0.00 H new ATOM 0 HB3 SER A 44 5.251 -18.978 2.665 1.00 0.00 H new ATOM 0 HG SER A 44 5.405 -19.239 4.810 1.00 0.00 H new ATOM 655 N ASP A 45 4.890 -16.435 3.589 1.00 0.00 N ATOM 656 CA ASP A 45 5.519 -15.339 4.329 1.00 0.00 C ATOM 657 C ASP A 45 6.851 -14.965 3.683 1.00 0.00 C ATOM 658 O ASP A 45 7.821 -14.639 4.365 1.00 0.00 O ATOM 659 CB ASP A 45 5.736 -15.711 5.810 1.00 0.00 C ATOM 660 CG ASP A 45 6.625 -16.928 6.010 1.00 0.00 C ATOM 661 OD1 ASP A 45 6.152 -18.066 5.790 1.00 0.00 O ATOM 662 OD2 ASP A 45 7.794 -16.759 6.417 1.00 0.00 O ATOM 0 H ASP A 45 5.396 -16.708 2.746 1.00 0.00 H new ATOM 0 HA ASP A 45 4.847 -14.482 4.292 1.00 0.00 H new ATOM 0 HB2 ASP A 45 6.178 -14.860 6.328 1.00 0.00 H new ATOM 0 HB3 ASP A 45 4.768 -15.899 6.274 1.00 0.00 H new ATOM 667 N ASN A 46 6.889 -14.993 2.359 1.00 0.00 N ATOM 668 CA ASN A 46 8.138 -14.794 1.626 1.00 0.00 C ATOM 669 C ASN A 46 8.364 -13.332 1.267 1.00 0.00 C ATOM 670 O ASN A 46 7.613 -12.757 0.480 1.00 0.00 O ATOM 671 CB ASN A 46 8.147 -15.624 0.340 1.00 0.00 C ATOM 672 CG ASN A 46 9.372 -15.352 -0.516 1.00 0.00 C ATOM 673 OD1 ASN A 46 10.469 -15.129 -0.003 1.00 0.00 O ATOM 674 ND2 ASN A 46 9.188 -15.347 -1.828 1.00 0.00 N ATOM 0 H ASN A 46 6.073 -15.151 1.768 1.00 0.00 H new ATOM 0 HA ASN A 46 8.942 -15.118 2.286 1.00 0.00 H new ATOM 0 HB2 ASN A 46 8.113 -16.683 0.594 1.00 0.00 H new ATOM 0 HB3 ASN A 46 7.248 -15.405 -0.237 1.00 0.00 H new ATOM 0 HD21 ASN A 46 9.971 -15.154 -2.452 1.00 0.00 H new ATOM 0 HD22 ASN A 46 8.263 -15.537 -2.214 1.00 0.00 H new ATOM 681 N TRP A 47 9.386 -12.730 1.864 1.00 0.00 N ATOM 682 CA TRP A 47 9.859 -11.429 1.417 1.00 0.00 C ATOM 683 C TRP A 47 11.341 -11.500 1.080 1.00 0.00 C ATOM 684 O TRP A 47 12.181 -11.806 1.928 1.00 0.00 O ATOM 685 CB TRP A 47 9.643 -10.315 2.449 1.00 0.00 C ATOM 686 CG TRP A 47 8.657 -10.638 3.507 1.00 0.00 C ATOM 687 CD1 TRP A 47 8.843 -11.508 4.523 1.00 0.00 C ATOM 688 CD2 TRP A 47 7.352 -10.088 3.664 1.00 0.00 C ATOM 689 NE1 TRP A 47 7.721 -11.551 5.319 1.00 0.00 N ATOM 690 CE2 TRP A 47 6.788 -10.682 4.807 1.00 0.00 C ATOM 691 CE3 TRP A 47 6.602 -9.153 2.947 1.00 0.00 C ATOM 692 CZ2 TRP A 47 5.506 -10.370 5.245 1.00 0.00 C ATOM 693 CZ3 TRP A 47 5.337 -8.849 3.381 1.00 0.00 C ATOM 694 CH2 TRP A 47 4.798 -9.451 4.517 1.00 0.00 C ATOM 0 H TRP A 47 9.899 -13.121 2.654 1.00 0.00 H new ATOM 0 HA TRP A 47 9.269 -11.179 0.535 1.00 0.00 H new ATOM 0 HB2 TRP A 47 10.598 -10.083 2.919 1.00 0.00 H new ATOM 0 HB3 TRP A 47 9.317 -9.414 1.929 1.00 0.00 H new ATOM 0 HD1 TRP A 47 9.741 -12.086 4.687 1.00 0.00 H new ATOM 0 HE1 TRP A 47 7.602 -12.131 6.150 1.00 0.00 H new ATOM 0 HE3 TRP A 47 7.011 -8.678 2.067 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 5.085 -10.834 6.125 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 4.747 -8.130 2.832 1.00 0.00 H new ATOM 0 HH2 TRP A 47 3.799 -9.187 4.830 1.00 0.00 H new ATOM 705 N ASN A 48 11.643 -11.225 -0.165 1.00 0.00 N ATOM 706 CA ASN A 48 13.021 -11.035 -0.621 1.00 0.00 C ATOM 707 C ASN A 48 13.428 -9.613 -0.284 1.00 0.00 C ATOM 708 O ASN A 48 13.800 -8.840 -1.171 1.00 0.00 O ATOM 709 CB ASN A 48 13.103 -11.229 -2.135 1.00 0.00 C ATOM 710 CG ASN A 48 14.533 -11.311 -2.638 1.00 0.00 C ATOM 711 OD1 ASN A 48 15.418 -11.812 -1.946 1.00 0.00 O ATOM 712 ND2 ASN A 48 14.769 -10.817 -3.842 1.00 0.00 N ATOM 0 H ASN A 48 10.946 -11.124 -0.903 1.00 0.00 H new ATOM 0 HA ASN A 48 13.678 -11.757 -0.136 1.00 0.00 H new ATOM 0 HB2 ASN A 48 12.573 -12.141 -2.410 1.00 0.00 H new ATOM 0 HB3 ASN A 48 12.594 -10.403 -2.631 1.00 0.00 H new ATOM 0 HD21 ASN A 48 15.713 -10.843 -4.228 1.00 0.00 H new ATOM 0 HD22 ASN A 48 14.007 -10.410 -4.384 1.00 0.00 H new ATOM 719 N ASN A 49 13.327 -9.272 1.002 1.00 0.00 N ATOM 720 CA ASN A 49 13.149 -7.884 1.435 1.00 0.00 C ATOM 721 C ASN A 49 11.746 -7.466 1.000 1.00 0.00 C ATOM 722 O ASN A 49 10.917 -7.058 1.812 1.00 0.00 O ATOM 723 CB ASN A 49 14.212 -6.937 0.856 1.00 0.00 C ATOM 724 CG ASN A 49 13.979 -5.490 1.250 1.00 0.00 C ATOM 725 OD1 ASN A 49 13.468 -5.200 2.331 1.00 0.00 O ATOM 726 ND2 ASN A 49 14.347 -4.568 0.373 1.00 0.00 N ATOM 0 H ASN A 49 13.366 -9.944 1.768 1.00 0.00 H new ATOM 0 HA ASN A 49 13.268 -7.819 2.517 1.00 0.00 H new ATOM 0 HB2 ASN A 49 15.198 -7.249 1.200 1.00 0.00 H new ATOM 0 HB3 ASN A 49 14.213 -7.018 -0.231 1.00 0.00 H new ATOM 0 HD21 ASN A 49 14.210 -3.580 0.584 1.00 0.00 H new ATOM 0 HD22 ASN A 49 14.768 -4.846 -0.513 1.00 0.00 H new ATOM 733 N ASN A 50 11.491 -7.611 -0.297 1.00 0.00 N ATOM 734 CA ASN A 50 10.148 -7.587 -0.846 1.00 0.00 C ATOM 735 C ASN A 50 9.907 -8.862 -1.643 1.00 0.00 C ATOM 736 O ASN A 50 9.175 -9.748 -1.219 1.00 0.00 O ATOM 737 CB ASN A 50 9.937 -6.414 -1.787 1.00 0.00 C ATOM 738 CG ASN A 50 10.154 -5.049 -1.141 1.00 0.00 C ATOM 739 OD1 ASN A 50 10.541 -4.089 -1.811 1.00 0.00 O ATOM 740 ND2 ASN A 50 9.905 -4.944 0.157 1.00 0.00 N ATOM 0 H ASN A 50 12.219 -7.749 -0.998 1.00 0.00 H new ATOM 0 HA ASN A 50 9.458 -7.498 -0.007 1.00 0.00 H new ATOM 0 HB2 ASN A 50 10.616 -6.515 -2.634 1.00 0.00 H new ATOM 0 HB3 ASN A 50 8.923 -6.459 -2.184 1.00 0.00 H new ATOM 0 HD21 ASN A 50 10.032 -4.049 0.630 1.00 0.00 H new ATOM 0 HD22 ASN A 50 9.586 -5.758 0.683 1.00 0.00 H new ATOM 747 N GLY A 51 10.549 -8.942 -2.810 1.00 0.00 N ATOM 748 CA GLY A 51 10.412 -10.099 -3.681 1.00 0.00 C ATOM 749 C GLY A 51 9.225 -9.978 -4.612 1.00 0.00 C ATOM 750 O GLY A 51 9.305 -10.317 -5.791 1.00 0.00 O ATOM 0 H GLY A 51 11.168 -8.216 -3.169 1.00 0.00 H new ATOM 0 HA2 GLY A 51 11.322 -10.218 -4.269 1.00 0.00 H new ATOM 0 HA3 GLY A 51 10.305 -10.998 -3.074 1.00 0.00 H new ATOM 754 N ASN A 52 8.137 -9.470 -4.072 1.00 0.00 N ATOM 755 CA ASN A 52 6.875 -9.369 -4.789 1.00 0.00 C ATOM 756 C ASN A 52 6.241 -7.993 -4.589 1.00 0.00 C ATOM 757 O ASN A 52 5.600 -7.719 -3.566 1.00 0.00 O ATOM 758 CB ASN A 52 5.929 -10.481 -4.324 1.00 0.00 C ATOM 759 CG ASN A 52 6.042 -10.768 -2.834 1.00 0.00 C ATOM 760 OD1 ASN A 52 5.902 -11.911 -2.406 1.00 0.00 O ATOM 761 ND2 ASN A 52 6.277 -9.735 -2.036 1.00 0.00 N ATOM 0 H ASN A 52 8.099 -9.112 -3.118 1.00 0.00 H new ATOM 0 HA ASN A 52 7.065 -9.490 -5.856 1.00 0.00 H new ATOM 0 HB2 ASN A 52 4.902 -10.200 -4.558 1.00 0.00 H new ATOM 0 HB3 ASN A 52 6.145 -11.392 -4.882 1.00 0.00 H new ATOM 0 HD21 ASN A 52 6.347 -9.875 -1.028 1.00 0.00 H new ATOM 0 HD22 ASN A 52 6.387 -8.801 -2.430 1.00 0.00 H new ATOM 768 N ILE A 53 6.434 -7.130 -5.570 1.00 0.00 N ATOM 769 CA ILE A 53 5.929 -5.772 -5.505 1.00 0.00 C ATOM 770 C ILE A 53 5.012 -5.482 -6.686 1.00 0.00 C ATOM 771 O ILE A 53 5.228 -5.973 -7.797 1.00 0.00 O ATOM 772 CB ILE A 53 7.096 -4.745 -5.456 1.00 0.00 C ATOM 773 CG1 ILE A 53 6.594 -3.289 -5.412 1.00 0.00 C ATOM 774 CG2 ILE A 53 8.031 -4.936 -6.641 1.00 0.00 C ATOM 775 CD1 ILE A 53 6.410 -2.645 -6.776 1.00 0.00 C ATOM 0 H ILE A 53 6.941 -7.349 -6.427 1.00 0.00 H new ATOM 0 HA ILE A 53 5.351 -5.672 -4.586 1.00 0.00 H new ATOM 0 HB ILE A 53 7.642 -4.933 -4.532 1.00 0.00 H new ATOM 0 HG12 ILE A 53 5.643 -3.262 -4.880 1.00 0.00 H new ATOM 0 HG13 ILE A 53 7.300 -2.692 -4.834 1.00 0.00 H new ATOM 0 HG21 ILE A 53 8.840 -4.208 -6.587 1.00 0.00 H new ATOM 0 HG22 ILE A 53 8.447 -5.943 -6.617 1.00 0.00 H new ATOM 0 HG23 ILE A 53 7.476 -4.794 -7.569 1.00 0.00 H new ATOM 0 HD11 ILE A 53 6.055 -1.622 -6.651 1.00 0.00 H new ATOM 0 HD12 ILE A 53 7.363 -2.636 -7.306 1.00 0.00 H new ATOM 0 HD13 ILE A 53 5.680 -3.214 -7.352 1.00 0.00 H new ATOM 787 N ILE A 54 3.979 -4.702 -6.426 1.00 0.00 N ATOM 788 CA ILE A 54 3.092 -4.227 -7.473 1.00 0.00 C ATOM 789 C ILE A 54 2.891 -2.721 -7.316 1.00 0.00 C ATOM 790 O ILE A 54 2.599 -2.230 -6.225 1.00 0.00 O ATOM 791 CB ILE A 54 1.733 -4.975 -7.466 1.00 0.00 C ATOM 792 CG1 ILE A 54 0.925 -4.625 -8.717 1.00 0.00 C ATOM 793 CG2 ILE A 54 0.929 -4.671 -6.212 1.00 0.00 C ATOM 794 CD1 ILE A 54 -0.303 -5.491 -8.900 1.00 0.00 C ATOM 0 H ILE A 54 3.732 -4.381 -5.490 1.00 0.00 H new ATOM 0 HA ILE A 54 3.554 -4.433 -8.438 1.00 0.00 H new ATOM 0 HB ILE A 54 1.945 -6.044 -7.469 1.00 0.00 H new ATOM 0 HG12 ILE A 54 0.619 -3.580 -8.663 1.00 0.00 H new ATOM 0 HG13 ILE A 54 1.565 -4.725 -9.594 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.016 -5.214 -6.245 1.00 0.00 H new ATOM 0 HG22 ILE A 54 1.495 -4.981 -5.333 1.00 0.00 H new ATOM 0 HG23 ILE A 54 0.731 -3.601 -6.157 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -0.829 -5.189 -9.806 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -0.002 -6.535 -8.986 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -0.963 -5.373 -8.040 1.00 0.00 H new ATOM 806 N ALA A 55 3.101 -1.979 -8.391 1.00 0.00 N ATOM 807 CA ALA A 55 3.021 -0.528 -8.326 1.00 0.00 C ATOM 808 C ALA A 55 1.570 -0.063 -8.376 1.00 0.00 C ATOM 809 O ALA A 55 0.788 -0.525 -9.209 1.00 0.00 O ATOM 810 CB ALA A 55 3.823 0.107 -9.452 1.00 0.00 C ATOM 0 H ALA A 55 3.327 -2.353 -9.313 1.00 0.00 H new ATOM 0 HA ALA A 55 3.450 -0.209 -7.376 1.00 0.00 H new ATOM 0 HB1 ALA A 55 3.749 1.192 -9.384 1.00 0.00 H new ATOM 0 HB2 ALA A 55 4.868 -0.192 -9.368 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.427 -0.224 -10.412 1.00 0.00 H new ATOM 816 N ALA A 56 1.217 0.845 -7.477 1.00 0.00 N ATOM 817 CA ALA A 56 -0.130 1.389 -7.420 1.00 0.00 C ATOM 818 C ALA A 56 -0.374 2.339 -8.584 1.00 0.00 C ATOM 819 O ALA A 56 0.569 2.861 -9.184 1.00 0.00 O ATOM 820 CB ALA A 56 -0.345 2.115 -6.105 1.00 0.00 C ATOM 0 H ALA A 56 1.851 1.222 -6.773 1.00 0.00 H new ATOM 0 HA ALA A 56 -0.838 0.563 -7.491 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -1.357 2.518 -6.073 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.206 1.419 -5.278 1.00 0.00 H new ATOM 0 HB3 ALA A 56 0.373 2.930 -6.018 1.00 0.00 H new ATOM 826 N SER A 57 -1.635 2.572 -8.892 1.00 0.00 N ATOM 827 CA SER A 57 -1.995 3.462 -9.968 1.00 0.00 C ATOM 828 C SER A 57 -2.664 4.693 -9.391 1.00 0.00 C ATOM 829 O SER A 57 -3.578 4.596 -8.571 1.00 0.00 O ATOM 830 CB SER A 57 -2.921 2.758 -10.952 1.00 0.00 C ATOM 831 OG SER A 57 -2.392 1.494 -11.321 1.00 0.00 O ATOM 0 H SER A 57 -2.428 2.153 -8.407 1.00 0.00 H new ATOM 0 HA SER A 57 -1.097 3.762 -10.508 1.00 0.00 H new ATOM 0 HB2 SER A 57 -3.906 2.629 -10.504 1.00 0.00 H new ATOM 0 HB3 SER A 57 -3.054 3.376 -11.840 1.00 0.00 H new ATOM 0 HG SER A 57 -3.001 1.056 -11.952 1.00 0.00 H new ATOM 837 N PHE A 58 -2.182 5.843 -9.790 1.00 0.00 N ATOM 838 CA PHE A 58 -2.691 7.088 -9.279 1.00 0.00 C ATOM 839 C PHE A 58 -4.079 7.353 -9.828 1.00 0.00 C ATOM 840 O PHE A 58 -4.351 7.115 -11.005 1.00 0.00 O ATOM 841 CB PHE A 58 -1.799 8.271 -9.651 1.00 0.00 C ATOM 842 CG PHE A 58 -0.326 8.105 -9.357 1.00 0.00 C ATOM 843 CD1 PHE A 58 0.436 7.151 -10.020 1.00 0.00 C ATOM 844 CD2 PHE A 58 0.300 8.923 -8.429 1.00 0.00 C ATOM 845 CE1 PHE A 58 1.787 7.014 -9.760 1.00 0.00 C ATOM 846 CE2 PHE A 58 1.653 8.793 -8.169 1.00 0.00 C ATOM 847 CZ PHE A 58 2.396 7.838 -8.833 1.00 0.00 C ATOM 0 H PHE A 58 -1.431 5.941 -10.473 1.00 0.00 H new ATOM 0 HA PHE A 58 -2.716 6.993 -8.193 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -1.917 8.469 -10.716 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -2.158 9.153 -9.121 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -0.034 6.507 -10.749 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -0.275 9.671 -7.903 1.00 0.00 H new ATOM 0 HE1 PHE A 58 2.365 6.265 -10.280 1.00 0.00 H new ATOM 0 HE2 PHE A 58 2.128 9.439 -7.446 1.00 0.00 H new ATOM 0 HZ PHE A 58 3.451 7.735 -8.628 1.00 0.00 H new ATOM 857 N SER A 59 -4.946 7.838 -8.971 1.00 0.00 N ATOM 858 CA SER A 59 -6.244 8.327 -9.393 1.00 0.00 C ATOM 859 C SER A 59 -6.172 9.835 -9.484 1.00 0.00 C ATOM 860 O SER A 59 -6.616 10.441 -10.458 1.00 0.00 O ATOM 861 CB SER A 59 -7.343 7.911 -8.414 1.00 0.00 C ATOM 862 OG SER A 59 -7.472 6.504 -8.365 1.00 0.00 O ATOM 0 H SER A 59 -4.777 7.906 -7.967 1.00 0.00 H new ATOM 0 HA SER A 59 -6.494 7.895 -10.362 1.00 0.00 H new ATOM 0 HB2 SER A 59 -7.113 8.293 -7.420 1.00 0.00 H new ATOM 0 HB3 SER A 59 -8.291 8.356 -8.715 1.00 0.00 H new ATOM 0 HG SER A 59 -8.351 6.269 -8.002 1.00 0.00 H new ATOM 868 N GLY A 60 -5.595 10.430 -8.452 1.00 0.00 N ATOM 869 CA GLY A 60 -5.335 11.848 -8.476 1.00 0.00 C ATOM 870 C GLY A 60 -5.386 12.444 -7.094 1.00 0.00 C ATOM 871 O GLY A 60 -5.687 11.737 -6.132 1.00 0.00 O ATOM 0 H GLY A 60 -5.303 9.953 -7.599 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -4.355 12.031 -8.916 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -6.068 12.342 -9.113 1.00 0.00 H new ATOM 875 N PRO A 61 -5.068 13.735 -6.956 1.00 0.00 N ATOM 876 CA PRO A 61 -5.197 14.436 -5.685 1.00 0.00 C ATOM 877 C PRO A 61 -6.635 14.412 -5.195 1.00 0.00 C ATOM 878 O PRO A 61 -7.572 14.645 -5.966 1.00 0.00 O ATOM 879 CB PRO A 61 -4.766 15.869 -6.003 1.00 0.00 C ATOM 880 CG PRO A 61 -3.972 15.767 -7.258 1.00 0.00 C ATOM 881 CD PRO A 61 -4.547 14.608 -8.020 1.00 0.00 C ATOM 0 HA PRO A 61 -4.598 13.979 -4.897 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -5.630 16.520 -6.135 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -4.170 16.290 -5.193 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -4.040 16.687 -7.838 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -2.916 15.605 -7.040 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -5.335 14.926 -8.703 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -3.789 14.104 -8.620 1.00 0.00 H new ATOM 889 N ILE A 62 -6.808 14.116 -3.924 1.00 0.00 N ATOM 890 CA ILE A 62 -8.125 14.044 -3.334 1.00 0.00 C ATOM 891 C ILE A 62 -8.661 15.453 -3.112 1.00 0.00 C ATOM 892 O ILE A 62 -8.189 16.177 -2.233 1.00 0.00 O ATOM 893 CB ILE A 62 -8.082 13.246 -2.014 1.00 0.00 C ATOM 894 CG1 ILE A 62 -7.476 11.868 -2.292 1.00 0.00 C ATOM 895 CG2 ILE A 62 -9.477 13.097 -1.427 1.00 0.00 C ATOM 896 CD1 ILE A 62 -7.103 11.090 -1.057 1.00 0.00 C ATOM 0 H ILE A 62 -6.045 13.920 -3.276 1.00 0.00 H new ATOM 0 HA ILE A 62 -8.798 13.520 -4.013 1.00 0.00 H new ATOM 0 HB ILE A 62 -7.470 13.782 -1.289 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -8.188 11.283 -2.874 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -6.587 11.994 -2.909 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -9.422 12.531 -0.497 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -9.895 14.084 -1.227 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -10.115 12.569 -2.136 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -6.682 10.127 -1.347 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -6.365 11.651 -0.483 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -7.992 10.928 -0.447 1.00 0.00 H new ATOM 908 N SER A 63 -9.622 15.835 -3.950 1.00 0.00 N ATOM 909 CA SER A 63 -10.169 17.187 -3.971 1.00 0.00 C ATOM 910 C SER A 63 -10.564 17.667 -2.578 1.00 0.00 C ATOM 911 O SER A 63 -11.323 17.003 -1.868 1.00 0.00 O ATOM 912 CB SER A 63 -11.376 17.235 -4.907 1.00 0.00 C ATOM 913 OG SER A 63 -11.023 16.778 -6.205 1.00 0.00 O ATOM 0 H SER A 63 -10.045 15.211 -4.637 1.00 0.00 H new ATOM 0 HA SER A 63 -9.391 17.858 -4.335 1.00 0.00 H new ATOM 0 HB2 SER A 63 -12.179 16.618 -4.505 1.00 0.00 H new ATOM 0 HB3 SER A 63 -11.756 18.255 -4.966 1.00 0.00 H new ATOM 0 HG SER A 63 -11.809 16.814 -6.790 1.00 0.00 H new ATOM 919 N GLY A 64 -10.021 18.815 -2.194 1.00 0.00 N ATOM 920 CA GLY A 64 -10.335 19.399 -0.909 1.00 0.00 C ATOM 921 C GLY A 64 -9.322 19.025 0.151 1.00 0.00 C ATOM 922 O GLY A 64 -9.506 19.325 1.329 1.00 0.00 O ATOM 0 H GLY A 64 -9.363 19.354 -2.757 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -10.375 20.484 -1.005 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -11.326 19.070 -0.595 1.00 0.00 H new ATOM 926 N SER A 65 -8.249 18.365 -0.260 1.00 0.00 N ATOM 927 CA SER A 65 -7.226 17.919 0.675 1.00 0.00 C ATOM 928 C SER A 65 -5.857 17.838 -0.003 1.00 0.00 C ATOM 929 O SER A 65 -5.738 17.996 -1.219 1.00 0.00 O ATOM 930 CB SER A 65 -7.612 16.553 1.244 1.00 0.00 C ATOM 931 OG SER A 65 -8.856 16.610 1.925 1.00 0.00 O ATOM 0 H SER A 65 -8.064 18.126 -1.234 1.00 0.00 H new ATOM 0 HA SER A 65 -7.158 18.645 1.485 1.00 0.00 H new ATOM 0 HB2 SER A 65 -7.671 15.824 0.436 1.00 0.00 H new ATOM 0 HB3 SER A 65 -6.836 16.209 1.928 1.00 0.00 H new ATOM 0 HG SER A 65 -9.077 15.722 2.277 1.00 0.00 H new ATOM 937 N ASN A 66 -4.827 17.595 0.802 1.00 0.00 N ATOM 938 CA ASN A 66 -3.454 17.497 0.306 1.00 0.00 C ATOM 939 C ASN A 66 -3.037 16.039 0.198 1.00 0.00 C ATOM 940 O ASN A 66 -1.850 15.712 0.172 1.00 0.00 O ATOM 941 CB ASN A 66 -2.483 18.248 1.228 1.00 0.00 C ATOM 942 CG ASN A 66 -2.410 17.659 2.628 1.00 0.00 C ATOM 943 OD1 ASN A 66 -1.618 16.755 2.900 1.00 0.00 O ATOM 944 ND2 ASN A 66 -3.229 18.178 3.532 1.00 0.00 N ATOM 0 H ASN A 66 -4.917 17.461 1.809 1.00 0.00 H new ATOM 0 HA ASN A 66 -3.418 17.955 -0.682 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -1.488 18.236 0.784 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -2.790 19.292 1.295 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -3.217 17.830 4.491 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -3.871 18.926 3.269 1.00 0.00 H new ATOM 951 N TYR A 67 -4.022 15.165 0.142 1.00 0.00 N ATOM 952 CA TYR A 67 -3.773 13.741 0.063 1.00 0.00 C ATOM 953 C TYR A 67 -4.013 13.272 -1.361 1.00 0.00 C ATOM 954 O TYR A 67 -4.764 13.899 -2.106 1.00 0.00 O ATOM 955 CB TYR A 67 -4.693 12.990 1.030 1.00 0.00 C ATOM 956 CG TYR A 67 -4.907 13.700 2.351 1.00 0.00 C ATOM 957 CD1 TYR A 67 -3.844 14.012 3.186 1.00 0.00 C ATOM 958 CD2 TYR A 67 -6.183 14.058 2.759 1.00 0.00 C ATOM 959 CE1 TYR A 67 -4.048 14.663 4.389 1.00 0.00 C ATOM 960 CE2 TYR A 67 -6.396 14.707 3.957 1.00 0.00 C ATOM 961 CZ TYR A 67 -5.328 15.009 4.768 1.00 0.00 C ATOM 962 OH TYR A 67 -5.540 15.660 5.962 1.00 0.00 O ATOM 0 H TYR A 67 -5.010 15.420 0.150 1.00 0.00 H new ATOM 0 HA TYR A 67 -2.740 13.536 0.343 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -5.660 12.836 0.551 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -4.273 12.003 1.223 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -2.841 13.742 2.892 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -7.026 13.824 2.126 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -3.210 14.899 5.028 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -7.398 14.977 4.257 1.00 0.00 H new ATOM 0 HH TYR A 67 -6.498 15.831 6.076 1.00 0.00 H new ATOM 972 N GLU A 68 -3.378 12.182 -1.747 1.00 0.00 N ATOM 973 CA GLU A 68 -3.568 11.642 -3.080 1.00 0.00 C ATOM 974 C GLU A 68 -4.253 10.282 -2.989 1.00 0.00 C ATOM 975 O GLU A 68 -4.249 9.644 -1.927 1.00 0.00 O ATOM 976 CB GLU A 68 -2.231 11.562 -3.830 1.00 0.00 C ATOM 977 CG GLU A 68 -2.373 11.188 -5.303 1.00 0.00 C ATOM 978 CD GLU A 68 -1.165 11.570 -6.133 1.00 0.00 C ATOM 979 OE1 GLU A 68 -0.055 11.099 -5.826 1.00 0.00 O ATOM 980 OE2 GLU A 68 -1.321 12.361 -7.088 1.00 0.00 O ATOM 0 H GLU A 68 -2.730 11.656 -1.161 1.00 0.00 H new ATOM 0 HA GLU A 68 -4.213 12.309 -3.652 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -1.725 12.525 -3.756 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -1.592 10.828 -3.338 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -2.537 10.114 -5.385 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -3.257 11.677 -5.712 1.00 0.00 H new ATOM 987 N TYR A 69 -4.806 9.840 -4.106 1.00 0.00 N ATOM 988 CA TYR A 69 -5.718 8.720 -4.138 1.00 0.00 C ATOM 989 C TYR A 69 -5.168 7.675 -5.071 1.00 0.00 C ATOM 990 O TYR A 69 -4.951 7.938 -6.259 1.00 0.00 O ATOM 991 CB TYR A 69 -7.103 9.169 -4.610 1.00 0.00 C ATOM 992 CG TYR A 69 -8.191 8.173 -4.300 1.00 0.00 C ATOM 993 CD1 TYR A 69 -8.310 7.655 -3.026 1.00 0.00 C ATOM 994 CD2 TYR A 69 -9.102 7.765 -5.265 1.00 0.00 C ATOM 995 CE1 TYR A 69 -9.301 6.750 -2.709 1.00 0.00 C ATOM 996 CE2 TYR A 69 -10.101 6.858 -4.960 1.00 0.00 C ATOM 997 CZ TYR A 69 -10.196 6.353 -3.681 1.00 0.00 C ATOM 998 OH TYR A 69 -11.185 5.444 -3.374 1.00 0.00 O ATOM 0 H TYR A 69 -4.630 10.255 -5.021 1.00 0.00 H new ATOM 0 HA TYR A 69 -5.820 8.306 -3.135 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -7.348 10.122 -4.141 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -7.074 9.342 -5.686 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -7.613 7.965 -2.262 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -9.030 8.161 -6.267 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -9.376 6.355 -1.707 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -10.803 6.547 -5.720 1.00 0.00 H new ATOM 0 HH TYR A 69 -11.730 5.273 -4.170 1.00 0.00 H new ATOM 1008 N TRP A 70 -4.917 6.510 -4.520 1.00 0.00 N ATOM 1009 CA TRP A 70 -4.253 5.452 -5.236 1.00 0.00 C ATOM 1010 C TRP A 70 -5.193 4.274 -5.383 1.00 0.00 C ATOM 1011 O TRP A 70 -5.747 3.806 -4.401 1.00 0.00 O ATOM 1012 CB TRP A 70 -3.013 5.051 -4.443 1.00 0.00 C ATOM 1013 CG TRP A 70 -2.308 6.237 -3.848 1.00 0.00 C ATOM 1014 CD1 TRP A 70 -2.695 6.983 -2.792 1.00 0.00 C ATOM 1015 CD2 TRP A 70 -1.090 6.800 -4.279 1.00 0.00 C ATOM 1016 NE1 TRP A 70 -1.792 7.987 -2.583 1.00 0.00 N ATOM 1017 CE2 TRP A 70 -0.795 7.883 -3.469 1.00 0.00 C ATOM 1018 CE3 TRP A 70 -0.246 6.478 -5.269 1.00 0.00 C ATOM 1019 CZ2 TRP A 70 0.341 8.655 -3.632 1.00 0.00 C ATOM 1020 CZ3 TRP A 70 0.900 7.216 -5.456 1.00 0.00 C ATOM 1021 CH2 TRP A 70 1.188 8.301 -4.630 1.00 0.00 C ATOM 0 H TRP A 70 -5.169 6.271 -3.561 1.00 0.00 H new ATOM 0 HA TRP A 70 -3.961 5.783 -6.233 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -3.300 4.365 -3.646 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -2.326 4.512 -5.095 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -3.583 6.812 -2.202 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -1.867 8.705 -1.862 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -0.465 5.642 -5.917 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 0.544 9.502 -2.993 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 1.583 6.952 -6.250 1.00 0.00 H new ATOM 0 HH2 TRP A 70 2.095 8.866 -4.786 1.00 0.00 H new ATOM 1032 N THR A 71 -5.385 3.803 -6.597 1.00 0.00 N ATOM 1033 CA THR A 71 -6.298 2.702 -6.842 1.00 0.00 C ATOM 1034 C THR A 71 -5.662 1.693 -7.763 1.00 0.00 C ATOM 1035 O THR A 71 -4.779 2.045 -8.550 1.00 0.00 O ATOM 1036 CB THR A 71 -7.612 3.181 -7.492 1.00 0.00 C ATOM 1037 OG1 THR A 71 -7.320 3.941 -8.671 1.00 0.00 O ATOM 1038 CG2 THR A 71 -8.435 4.022 -6.533 1.00 0.00 C ATOM 0 H THR A 71 -4.922 4.164 -7.431 1.00 0.00 H new ATOM 0 HA THR A 71 -6.521 2.254 -5.874 1.00 0.00 H new ATOM 0 HB THR A 71 -8.197 2.300 -7.754 1.00 0.00 H new ATOM 0 HG1 THR A 71 -7.010 4.835 -8.416 1.00 0.00 H new ATOM 0 HG21 THR A 71 -9.353 4.342 -7.026 1.00 0.00 H new ATOM 0 HG22 THR A 71 -8.683 3.431 -5.651 1.00 0.00 H new ATOM 0 HG23 THR A 71 -7.861 4.898 -6.233 1.00 0.00 H new ATOM 1046 N PHE A 72 -6.080 0.443 -7.652 1.00 0.00 N ATOM 1047 CA PHE A 72 -5.720 -0.546 -8.643 1.00 0.00 C ATOM 1048 C PHE A 72 -6.417 -1.868 -8.397 1.00 0.00 C ATOM 1049 O PHE A 72 -6.761 -2.219 -7.265 1.00 0.00 O ATOM 1050 CB PHE A 72 -4.196 -0.761 -8.720 1.00 0.00 C ATOM 1051 CG PHE A 72 -3.607 -1.529 -7.569 1.00 0.00 C ATOM 1052 CD1 PHE A 72 -3.671 -1.038 -6.279 1.00 0.00 C ATOM 1053 CD2 PHE A 72 -2.976 -2.742 -7.789 1.00 0.00 C ATOM 1054 CE1 PHE A 72 -3.120 -1.743 -5.223 1.00 0.00 C ATOM 1055 CE2 PHE A 72 -2.424 -3.452 -6.742 1.00 0.00 C ATOM 1056 CZ PHE A 72 -2.497 -2.952 -5.456 1.00 0.00 C ATOM 0 H PHE A 72 -6.664 0.095 -6.891 1.00 0.00 H new ATOM 0 HA PHE A 72 -6.056 -0.152 -9.602 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -3.964 -1.287 -9.646 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -3.709 0.212 -8.776 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -4.157 -0.092 -6.092 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -2.915 -3.137 -8.792 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -3.178 -1.348 -4.219 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -1.936 -4.397 -6.928 1.00 0.00 H new ATOM 0 HZ PHE A 72 -2.067 -3.506 -4.635 1.00 0.00 H new ATOM 1066 N SER A 73 -6.642 -2.575 -9.479 1.00 0.00 N ATOM 1067 CA SER A 73 -7.091 -3.944 -9.423 1.00 0.00 C ATOM 1068 C SER A 73 -5.971 -4.828 -9.948 1.00 0.00 C ATOM 1069 O SER A 73 -5.317 -4.492 -10.938 1.00 0.00 O ATOM 1070 CB SER A 73 -8.368 -4.137 -10.236 1.00 0.00 C ATOM 1071 OG SER A 73 -9.407 -3.289 -9.764 1.00 0.00 O ATOM 0 H SER A 73 -6.518 -2.215 -10.425 1.00 0.00 H new ATOM 0 HA SER A 73 -7.328 -4.215 -8.394 1.00 0.00 H new ATOM 0 HB2 SER A 73 -8.170 -3.925 -11.287 1.00 0.00 H new ATOM 0 HB3 SER A 73 -8.688 -5.177 -10.176 1.00 0.00 H new ATOM 0 HG SER A 73 -10.214 -3.430 -10.302 1.00 0.00 H new ATOM 1077 N ALA A 74 -5.752 -5.946 -9.291 1.00 0.00 N ATOM 1078 CA ALA A 74 -4.570 -6.748 -9.542 1.00 0.00 C ATOM 1079 C ALA A 74 -4.909 -8.216 -9.710 1.00 0.00 C ATOM 1080 O ALA A 74 -5.690 -8.778 -8.940 1.00 0.00 O ATOM 1081 CB ALA A 74 -3.579 -6.590 -8.398 1.00 0.00 C ATOM 0 H ALA A 74 -6.376 -6.322 -8.578 1.00 0.00 H new ATOM 0 HA ALA A 74 -4.127 -6.392 -10.472 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -2.695 -7.196 -8.596 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -3.289 -5.543 -8.310 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -4.042 -6.917 -7.467 1.00 0.00 H new ATOM 1087 N SER A 75 -4.316 -8.844 -10.704 1.00 0.00 N ATOM 1088 CA SER A 75 -4.411 -10.278 -10.825 1.00 0.00 C ATOM 1089 C SER A 75 -3.272 -10.893 -10.024 1.00 0.00 C ATOM 1090 O SER A 75 -2.134 -10.967 -10.492 1.00 0.00 O ATOM 1091 CB SER A 75 -4.334 -10.698 -12.297 1.00 0.00 C ATOM 1092 OG SER A 75 -4.661 -12.068 -12.458 1.00 0.00 O ATOM 0 H SER A 75 -3.768 -8.386 -11.433 1.00 0.00 H new ATOM 0 HA SER A 75 -5.368 -10.628 -10.437 1.00 0.00 H new ATOM 0 HB2 SER A 75 -5.016 -10.087 -12.888 1.00 0.00 H new ATOM 0 HB3 SER A 75 -3.329 -10.514 -12.678 1.00 0.00 H new ATOM 0 HG SER A 75 -4.636 -12.301 -13.410 1.00 0.00 H new ATOM 1098 N VAL A 76 -3.578 -11.317 -8.810 1.00 0.00 N ATOM 1099 CA VAL A 76 -2.563 -11.872 -7.932 1.00 0.00 C ATOM 1100 C VAL A 76 -2.704 -13.380 -7.882 1.00 0.00 C ATOM 1101 O VAL A 76 -3.812 -13.906 -7.849 1.00 0.00 O ATOM 1102 CB VAL A 76 -2.638 -11.294 -6.495 1.00 0.00 C ATOM 1103 CG1 VAL A 76 -2.533 -9.782 -6.519 1.00 0.00 C ATOM 1104 CG2 VAL A 76 -3.912 -11.717 -5.795 1.00 0.00 C ATOM 0 H VAL A 76 -4.516 -11.288 -8.411 1.00 0.00 H new ATOM 0 HA VAL A 76 -1.592 -11.594 -8.342 1.00 0.00 H new ATOM 0 HB VAL A 76 -1.794 -11.697 -5.935 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -2.588 -9.397 -5.501 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -1.583 -9.490 -6.966 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -3.353 -9.370 -7.107 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -3.933 -11.295 -4.790 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -4.773 -11.357 -6.358 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -3.949 -12.805 -5.732 1.00 0.00 H new ATOM 1114 N LYS A 77 -1.586 -14.072 -7.883 1.00 0.00 N ATOM 1115 CA LYS A 77 -1.601 -15.524 -7.922 1.00 0.00 C ATOM 1116 C LYS A 77 -1.226 -16.084 -6.556 1.00 0.00 C ATOM 1117 O LYS A 77 -0.487 -17.062 -6.444 1.00 0.00 O ATOM 1118 CB LYS A 77 -0.653 -16.054 -9.009 1.00 0.00 C ATOM 1119 CG LYS A 77 -1.115 -15.784 -10.443 1.00 0.00 C ATOM 1120 CD LYS A 77 -1.045 -14.306 -10.803 1.00 0.00 C ATOM 1121 CE LYS A 77 -1.486 -14.042 -12.236 1.00 0.00 C ATOM 1122 NZ LYS A 77 -2.901 -14.434 -12.474 1.00 0.00 N ATOM 0 H LYS A 77 -0.655 -13.657 -7.857 1.00 0.00 H new ATOM 0 HA LYS A 77 -2.609 -15.855 -8.172 1.00 0.00 H new ATOM 0 HB2 LYS A 77 0.330 -15.604 -8.867 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -0.533 -17.129 -8.876 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -0.496 -16.354 -11.135 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -2.139 -16.138 -10.565 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -1.676 -13.737 -10.120 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -0.024 -13.949 -10.667 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -1.362 -12.983 -12.462 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -0.839 -14.592 -12.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -2.954 -15.056 -13.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -3.266 -14.938 -11.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -3.474 -13.582 -12.642 1.00 0.00 H new ATOM 1136 N GLY A 78 -1.735 -15.433 -5.518 1.00 0.00 N ATOM 1137 CA GLY A 78 -1.474 -15.866 -4.162 1.00 0.00 C ATOM 1138 C GLY A 78 -0.996 -14.729 -3.284 1.00 0.00 C ATOM 1139 O GLY A 78 -0.177 -13.911 -3.711 1.00 0.00 O ATOM 0 H GLY A 78 -2.328 -14.607 -5.594 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -2.382 -16.294 -3.737 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -0.723 -16.656 -4.172 1.00 0.00 H new ATOM 1143 N ILE A 79 -1.526 -14.666 -2.069 1.00 0.00 N ATOM 1144 CA ILE A 79 -1.112 -13.680 -1.083 1.00 0.00 C ATOM 1145 C ILE A 79 -1.518 -14.129 0.306 1.00 0.00 C ATOM 1146 O ILE A 79 -2.564 -14.752 0.491 1.00 0.00 O ATOM 1147 CB ILE A 79 -1.685 -12.279 -1.371 1.00 0.00 C ATOM 1148 CG1 ILE A 79 -1.302 -11.279 -0.275 1.00 0.00 C ATOM 1149 CG2 ILE A 79 -3.194 -12.334 -1.527 1.00 0.00 C ATOM 1150 CD1 ILE A 79 -1.666 -9.855 -0.626 1.00 0.00 C ATOM 0 H ILE A 79 -2.256 -15.299 -1.741 1.00 0.00 H new ATOM 0 HA ILE A 79 -0.026 -13.604 -1.144 1.00 0.00 H new ATOM 0 HB ILE A 79 -1.248 -11.935 -2.309 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -1.799 -11.558 0.654 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -0.229 -11.340 -0.093 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -3.576 -11.333 -1.730 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -3.450 -12.995 -2.355 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -3.641 -12.714 -0.608 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -1.371 -9.193 0.188 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -1.148 -9.562 -1.539 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -2.743 -9.782 -0.780 1.00 0.00 H new ATOM 1162 N LYS A 80 -0.670 -13.831 1.268 1.00 0.00 N ATOM 1163 CA LYS A 80 -0.893 -14.245 2.644 1.00 0.00 C ATOM 1164 C LYS A 80 -1.105 -13.022 3.528 1.00 0.00 C ATOM 1165 O LYS A 80 -2.118 -12.899 4.216 1.00 0.00 O ATOM 1166 CB LYS A 80 0.308 -15.070 3.121 1.00 0.00 C ATOM 1167 CG LYS A 80 0.055 -15.916 4.358 1.00 0.00 C ATOM 1168 CD LYS A 80 -0.004 -15.096 5.636 1.00 0.00 C ATOM 1169 CE LYS A 80 -0.444 -15.948 6.813 1.00 0.00 C ATOM 1170 NZ LYS A 80 -0.207 -15.266 8.109 1.00 0.00 N ATOM 0 H LYS A 80 0.188 -13.299 1.124 1.00 0.00 H new ATOM 0 HA LYS A 80 -1.789 -14.862 2.706 1.00 0.00 H new ATOM 0 HB2 LYS A 80 0.625 -15.725 2.310 1.00 0.00 H new ATOM 0 HB3 LYS A 80 1.137 -14.392 3.326 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -0.884 -16.457 4.236 1.00 0.00 H new ATOM 0 HG3 LYS A 80 0.844 -16.663 4.448 1.00 0.00 H new ATOM 0 HD2 LYS A 80 0.976 -14.666 5.841 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -0.696 -14.264 5.506 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -1.504 -16.183 6.715 1.00 0.00 H new ATOM 0 HE3 LYS A 80 0.095 -16.895 6.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -0.726 -15.761 8.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 0.810 -15.276 8.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -0.539 -14.282 8.049 1.00 0.00 H new ATOM 1184 N GLU A 81 -0.137 -12.124 3.503 1.00 0.00 N ATOM 1185 CA GLU A 81 -0.214 -10.887 4.294 1.00 0.00 C ATOM 1186 C GLU A 81 0.565 -9.801 3.577 1.00 0.00 C ATOM 1187 O GLU A 81 1.151 -10.102 2.553 1.00 0.00 O ATOM 1188 CB GLU A 81 0.327 -11.140 5.700 1.00 0.00 C ATOM 1189 CG GLU A 81 1.814 -11.442 5.758 1.00 0.00 C ATOM 1190 CD GLU A 81 2.265 -11.892 7.134 1.00 0.00 C ATOM 1191 OE1 GLU A 81 2.171 -13.099 7.431 1.00 0.00 O ATOM 1192 OE2 GLU A 81 2.718 -11.044 7.926 1.00 0.00 O ATOM 0 H GLU A 81 0.714 -12.218 2.948 1.00 0.00 H new ATOM 0 HA GLU A 81 -1.249 -10.560 4.396 1.00 0.00 H new ATOM 0 HB2 GLU A 81 0.123 -10.265 6.317 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -0.218 -11.975 6.140 1.00 0.00 H new ATOM 0 HG2 GLU A 81 2.052 -12.218 5.030 1.00 0.00 H new ATOM 0 HG3 GLU A 81 2.373 -10.552 5.470 1.00 0.00 H new ATOM 1199 N PHE A 82 0.558 -8.539 4.041 1.00 0.00 N ATOM 1200 CA PHE A 82 1.326 -7.515 3.323 1.00 0.00 C ATOM 1201 C PHE A 82 1.376 -6.180 4.043 1.00 0.00 C ATOM 1202 O PHE A 82 0.802 -5.997 5.119 1.00 0.00 O ATOM 1203 CB PHE A 82 0.788 -7.313 1.899 1.00 0.00 C ATOM 1204 CG PHE A 82 -0.585 -6.717 1.783 1.00 0.00 C ATOM 1205 CD1 PHE A 82 -1.716 -7.511 1.854 1.00 0.00 C ATOM 1206 CD2 PHE A 82 -0.736 -5.362 1.569 1.00 0.00 C ATOM 1207 CE1 PHE A 82 -2.975 -6.958 1.718 1.00 0.00 C ATOM 1208 CE2 PHE A 82 -1.989 -4.802 1.429 1.00 0.00 C ATOM 1209 CZ PHE A 82 -3.111 -5.601 1.504 1.00 0.00 C ATOM 0 H PHE A 82 0.055 -8.217 4.868 1.00 0.00 H new ATOM 0 HA PHE A 82 2.346 -7.896 3.279 1.00 0.00 H new ATOM 0 HB2 PHE A 82 1.485 -6.673 1.358 1.00 0.00 H new ATOM 0 HB3 PHE A 82 0.785 -8.279 1.395 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -1.614 -8.574 2.017 1.00 0.00 H new ATOM 0 HD2 PHE A 82 0.139 -4.731 1.510 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -3.851 -7.586 1.779 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -2.091 -3.740 1.261 1.00 0.00 H new ATOM 0 HZ PHE A 82 -4.094 -5.166 1.396 1.00 0.00 H new ATOM 1219 N TYR A 83 2.070 -5.255 3.396 1.00 0.00 N ATOM 1220 CA TYR A 83 2.166 -3.874 3.833 1.00 0.00 C ATOM 1221 C TYR A 83 2.625 -3.020 2.657 1.00 0.00 C ATOM 1222 O TYR A 83 3.232 -3.527 1.712 1.00 0.00 O ATOM 1223 CB TYR A 83 3.086 -3.715 5.064 1.00 0.00 C ATOM 1224 CG TYR A 83 4.568 -4.018 4.890 1.00 0.00 C ATOM 1225 CD1 TYR A 83 5.047 -4.869 3.904 1.00 0.00 C ATOM 1226 CD2 TYR A 83 5.492 -3.446 5.757 1.00 0.00 C ATOM 1227 CE1 TYR A 83 6.401 -5.137 3.785 1.00 0.00 C ATOM 1228 CE2 TYR A 83 6.842 -3.707 5.644 1.00 0.00 C ATOM 1229 CZ TYR A 83 7.293 -4.549 4.658 1.00 0.00 C ATOM 1230 OH TYR A 83 8.643 -4.811 4.550 1.00 0.00 O ATOM 0 H TYR A 83 2.589 -5.448 2.540 1.00 0.00 H new ATOM 0 HA TYR A 83 1.183 -3.533 4.159 1.00 0.00 H new ATOM 0 HB2 TYR A 83 2.994 -2.689 5.420 1.00 0.00 H new ATOM 0 HB3 TYR A 83 2.703 -4.362 5.853 1.00 0.00 H new ATOM 0 HD1 TYR A 83 4.352 -5.330 3.218 1.00 0.00 H new ATOM 0 HD2 TYR A 83 5.146 -2.783 6.536 1.00 0.00 H new ATOM 0 HE1 TYR A 83 6.757 -5.803 3.013 1.00 0.00 H new ATOM 0 HE2 TYR A 83 7.541 -3.251 6.329 1.00 0.00 H new ATOM 0 HH TYR A 83 9.129 -4.315 5.242 1.00 0.00 H new ATOM 1240 N ILE A 84 2.294 -1.744 2.674 1.00 0.00 N ATOM 1241 CA ILE A 84 2.570 -0.904 1.525 1.00 0.00 C ATOM 1242 C ILE A 84 3.828 -0.078 1.744 1.00 0.00 C ATOM 1243 O ILE A 84 4.140 0.321 2.869 1.00 0.00 O ATOM 1244 CB ILE A 84 1.383 0.027 1.193 1.00 0.00 C ATOM 1245 CG1 ILE A 84 0.060 -0.751 1.207 1.00 0.00 C ATOM 1246 CG2 ILE A 84 1.589 0.674 -0.169 1.00 0.00 C ATOM 1247 CD1 ILE A 84 0.057 -1.972 0.312 1.00 0.00 C ATOM 0 H ILE A 84 1.841 -1.272 3.457 1.00 0.00 H new ATOM 0 HA ILE A 84 2.725 -1.570 0.676 1.00 0.00 H new ATOM 0 HB ILE A 84 1.335 0.805 1.955 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -0.157 -1.061 2.229 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -0.745 -0.084 0.899 1.00 0.00 H new ATOM 0 HG21 ILE A 84 0.746 1.328 -0.392 1.00 0.00 H new ATOM 0 HG22 ILE A 84 2.509 1.258 -0.159 1.00 0.00 H new ATOM 0 HG23 ILE A 84 1.660 -0.100 -0.933 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -0.912 -2.468 0.376 1.00 0.00 H new ATOM 0 HD12 ILE A 84 0.241 -1.668 -0.718 1.00 0.00 H new ATOM 0 HD13 ILE A 84 0.839 -2.660 0.633 1.00 0.00 H new ATOM 1259 N LYS A 85 4.544 0.179 0.657 1.00 0.00 N ATOM 1260 CA LYS A 85 5.788 0.924 0.716 1.00 0.00 C ATOM 1261 C LYS A 85 5.556 2.346 0.261 1.00 0.00 C ATOM 1262 O LYS A 85 5.359 2.602 -0.929 1.00 0.00 O ATOM 1263 CB LYS A 85 6.860 0.275 -0.167 1.00 0.00 C ATOM 1264 CG LYS A 85 7.414 -1.021 0.390 1.00 0.00 C ATOM 1265 CD LYS A 85 8.487 -0.776 1.443 1.00 0.00 C ATOM 1266 CE LYS A 85 9.896 -0.827 0.860 1.00 0.00 C ATOM 1267 NZ LYS A 85 10.202 0.314 -0.049 1.00 0.00 N ATOM 0 H LYS A 85 4.279 -0.121 -0.281 1.00 0.00 H new ATOM 0 HA LYS A 85 6.138 0.919 1.748 1.00 0.00 H new ATOM 0 HB2 LYS A 85 6.437 0.084 -1.153 1.00 0.00 H new ATOM 0 HB3 LYS A 85 7.680 0.980 -0.303 1.00 0.00 H new ATOM 0 HG2 LYS A 85 6.603 -1.604 0.827 1.00 0.00 H new ATOM 0 HG3 LYS A 85 7.832 -1.616 -0.422 1.00 0.00 H new ATOM 0 HD2 LYS A 85 8.323 0.197 1.905 1.00 0.00 H new ATOM 0 HD3 LYS A 85 8.396 -1.523 2.232 1.00 0.00 H new ATOM 0 HE2 LYS A 85 10.619 -0.836 1.676 1.00 0.00 H new ATOM 0 HE3 LYS A 85 10.021 -1.761 0.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 11.231 0.387 -0.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 9.745 0.156 -0.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 9.843 1.196 0.369 1.00 0.00 H new ATOM 1281 N TYR A 86 5.561 3.259 1.210 1.00 0.00 N ATOM 1282 CA TYR A 86 5.462 4.667 0.886 1.00 0.00 C ATOM 1283 C TYR A 86 6.862 5.190 0.617 1.00 0.00 C ATOM 1284 O TYR A 86 7.632 5.434 1.549 1.00 0.00 O ATOM 1285 CB TYR A 86 4.792 5.445 2.027 1.00 0.00 C ATOM 1286 CG TYR A 86 4.571 6.912 1.712 1.00 0.00 C ATOM 1287 CD1 TYR A 86 4.055 7.304 0.489 1.00 0.00 C ATOM 1288 CD2 TYR A 86 4.885 7.900 2.632 1.00 0.00 C ATOM 1289 CE1 TYR A 86 3.858 8.628 0.186 1.00 0.00 C ATOM 1290 CE2 TYR A 86 4.686 9.235 2.336 1.00 0.00 C ATOM 1291 CZ TYR A 86 4.172 9.592 1.108 1.00 0.00 C ATOM 1292 OH TYR A 86 3.975 10.917 0.799 1.00 0.00 O ATOM 0 H TYR A 86 5.632 3.053 2.207 1.00 0.00 H new ATOM 0 HA TYR A 86 4.841 4.803 0.000 1.00 0.00 H new ATOM 0 HB2 TYR A 86 3.832 4.982 2.257 1.00 0.00 H new ATOM 0 HB3 TYR A 86 5.408 5.363 2.923 1.00 0.00 H new ATOM 0 HD1 TYR A 86 3.802 6.551 -0.243 1.00 0.00 H new ATOM 0 HD2 TYR A 86 5.291 7.623 3.594 1.00 0.00 H new ATOM 0 HE1 TYR A 86 3.457 8.909 -0.776 1.00 0.00 H new ATOM 0 HE2 TYR A 86 4.932 9.995 3.063 1.00 0.00 H new ATOM 0 HH TYR A 86 3.017 11.120 0.826 1.00 0.00 H new ATOM 1302 N GLU A 87 7.196 5.330 -0.660 1.00 0.00 N ATOM 1303 CA GLU A 87 8.545 5.688 -1.050 1.00 0.00 C ATOM 1304 C GLU A 87 8.584 7.109 -1.595 1.00 0.00 C ATOM 1305 O GLU A 87 7.954 7.426 -2.602 1.00 0.00 O ATOM 1306 CB GLU A 87 9.100 4.694 -2.074 1.00 0.00 C ATOM 1307 CG GLU A 87 10.618 4.620 -2.063 1.00 0.00 C ATOM 1308 CD GLU A 87 11.185 3.580 -3.012 1.00 0.00 C ATOM 1309 OE1 GLU A 87 10.938 2.372 -2.799 1.00 0.00 O ATOM 1310 OE2 GLU A 87 11.906 3.967 -3.957 1.00 0.00 O ATOM 0 H GLU A 87 6.550 5.200 -1.438 1.00 0.00 H new ATOM 0 HA GLU A 87 9.179 5.645 -0.165 1.00 0.00 H new ATOM 0 HB2 GLU A 87 8.691 3.704 -1.871 1.00 0.00 H new ATOM 0 HB3 GLU A 87 8.762 4.980 -3.070 1.00 0.00 H new ATOM 0 HG2 GLU A 87 11.022 5.598 -2.326 1.00 0.00 H new ATOM 0 HG3 GLU A 87 10.955 4.397 -1.051 1.00 0.00 H new ATOM 1317 N VAL A 88 9.323 7.962 -0.914 1.00 0.00 N ATOM 1318 CA VAL A 88 9.391 9.364 -1.256 1.00 0.00 C ATOM 1319 C VAL A 88 10.779 9.756 -1.697 1.00 0.00 C ATOM 1320 O VAL A 88 11.680 9.879 -0.873 1.00 0.00 O ATOM 1321 CB VAL A 88 9.007 10.231 -0.062 1.00 0.00 C ATOM 1322 CG1 VAL A 88 8.977 11.683 -0.478 1.00 0.00 C ATOM 1323 CG2 VAL A 88 7.668 9.776 0.467 1.00 0.00 C ATOM 0 H VAL A 88 9.892 7.700 -0.109 1.00 0.00 H new ATOM 0 HA VAL A 88 8.691 9.524 -2.076 1.00 0.00 H new ATOM 0 HB VAL A 88 9.744 10.128 0.735 1.00 0.00 H new ATOM 0 HG11 VAL A 88 8.702 12.301 0.377 1.00 0.00 H new ATOM 0 HG12 VAL A 88 9.962 11.979 -0.838 1.00 0.00 H new ATOM 0 HG13 VAL A 88 8.245 11.818 -1.274 1.00 0.00 H new ATOM 0 HG21 VAL A 88 7.386 10.391 1.321 1.00 0.00 H new ATOM 0 HG22 VAL A 88 6.915 9.874 -0.315 1.00 0.00 H new ATOM 0 HG23 VAL A 88 7.735 8.733 0.777 1.00 0.00 H new ATOM 1333 N SER A 89 10.942 9.970 -2.993 1.00 0.00 N ATOM 1334 CA SER A 89 12.231 10.311 -3.561 1.00 0.00 C ATOM 1335 C SER A 89 13.296 9.278 -3.161 1.00 0.00 C ATOM 1336 O SER A 89 14.496 9.562 -3.153 1.00 0.00 O ATOM 1337 CB SER A 89 12.611 11.718 -3.114 1.00 0.00 C ATOM 1338 OG SER A 89 13.895 12.099 -3.576 1.00 0.00 O ATOM 0 H SER A 89 10.186 9.912 -3.676 1.00 0.00 H new ATOM 0 HA SER A 89 12.170 10.293 -4.649 1.00 0.00 H new ATOM 0 HB2 SER A 89 11.869 12.427 -3.482 1.00 0.00 H new ATOM 0 HB3 SER A 89 12.588 11.770 -2.025 1.00 0.00 H new ATOM 0 HG SER A 89 14.487 11.318 -3.580 1.00 0.00 H new ATOM 1344 N GLY A 90 12.841 8.072 -2.838 1.00 0.00 N ATOM 1345 CA GLY A 90 13.742 7.036 -2.386 1.00 0.00 C ATOM 1346 C GLY A 90 13.703 6.833 -0.881 1.00 0.00 C ATOM 1347 O GLY A 90 14.492 6.055 -0.339 1.00 0.00 O ATOM 0 H GLY A 90 11.860 7.796 -2.883 1.00 0.00 H new ATOM 0 HA2 GLY A 90 13.487 6.099 -2.881 1.00 0.00 H new ATOM 0 HA3 GLY A 90 14.759 7.289 -2.687 1.00 0.00 H new ATOM 1351 N LYS A 91 12.796 7.526 -0.192 1.00 0.00 N ATOM 1352 CA LYS A 91 12.673 7.383 1.240 1.00 0.00 C ATOM 1353 C LYS A 91 11.521 6.444 1.529 1.00 0.00 C ATOM 1354 O LYS A 91 10.586 6.377 0.751 1.00 0.00 O ATOM 1355 CB LYS A 91 12.422 8.744 1.886 1.00 0.00 C ATOM 1356 CG LYS A 91 12.871 8.804 3.325 1.00 0.00 C ATOM 1357 CD LYS A 91 14.383 8.675 3.423 1.00 0.00 C ATOM 1358 CE LYS A 91 14.868 8.711 4.860 1.00 0.00 C ATOM 1359 NZ LYS A 91 14.282 7.621 5.679 1.00 0.00 N ATOM 0 H LYS A 91 12.142 8.188 -0.610 1.00 0.00 H new ATOM 0 HA LYS A 91 13.596 6.977 1.655 1.00 0.00 H new ATOM 0 HB2 LYS A 91 12.944 9.513 1.316 1.00 0.00 H new ATOM 0 HB3 LYS A 91 11.358 8.975 1.833 1.00 0.00 H new ATOM 0 HG2 LYS A 91 12.552 9.746 3.772 1.00 0.00 H new ATOM 0 HG3 LYS A 91 12.395 8.004 3.893 1.00 0.00 H new ATOM 0 HD2 LYS A 91 14.697 7.740 2.958 1.00 0.00 H new ATOM 0 HD3 LYS A 91 14.852 9.483 2.862 1.00 0.00 H new ATOM 0 HE2 LYS A 91 15.955 8.631 4.877 1.00 0.00 H new ATOM 0 HE3 LYS A 91 14.613 9.673 5.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 14.787 7.558 6.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 13.277 7.822 5.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 14.370 6.718 5.170 1.00 0.00 H new ATOM 1373 N THR A 92 11.568 5.726 2.625 1.00 0.00 N ATOM 1374 CA THR A 92 10.552 4.723 2.876 1.00 0.00 C ATOM 1375 C THR A 92 9.878 4.892 4.225 1.00 0.00 C ATOM 1376 O THR A 92 10.502 5.223 5.236 1.00 0.00 O ATOM 1377 CB THR A 92 11.123 3.299 2.797 1.00 0.00 C ATOM 1378 OG1 THR A 92 11.836 3.114 1.567 1.00 0.00 O ATOM 1379 CG2 THR A 92 10.029 2.243 2.910 1.00 0.00 C ATOM 0 H THR A 92 12.283 5.811 3.347 1.00 0.00 H new ATOM 0 HA THR A 92 9.810 4.869 2.091 1.00 0.00 H new ATOM 0 HB THR A 92 11.804 3.178 3.640 1.00 0.00 H new ATOM 0 HG1 THR A 92 12.196 2.203 1.531 1.00 0.00 H new ATOM 0 HG21 THR A 92 10.474 1.250 2.850 1.00 0.00 H new ATOM 0 HG22 THR A 92 9.515 2.353 3.865 1.00 0.00 H new ATOM 0 HG23 THR A 92 9.315 2.371 2.097 1.00 0.00 H new ATOM 1387 N TYR A 93 8.594 4.645 4.196 1.00 0.00 N ATOM 1388 CA TYR A 93 7.781 4.490 5.384 1.00 0.00 C ATOM 1389 C TYR A 93 6.906 3.273 5.160 1.00 0.00 C ATOM 1390 O TYR A 93 7.018 2.609 4.124 1.00 0.00 O ATOM 1391 CB TYR A 93 6.898 5.708 5.665 1.00 0.00 C ATOM 1392 CG TYR A 93 7.612 7.030 5.580 1.00 0.00 C ATOM 1393 CD1 TYR A 93 8.411 7.504 6.612 1.00 0.00 C ATOM 1394 CD2 TYR A 93 7.465 7.802 4.457 1.00 0.00 C ATOM 1395 CE1 TYR A 93 9.048 8.726 6.509 1.00 0.00 C ATOM 1396 CE2 TYR A 93 8.095 9.027 4.337 1.00 0.00 C ATOM 1397 CZ TYR A 93 8.887 9.485 5.368 1.00 0.00 C ATOM 1398 OH TYR A 93 9.515 10.706 5.261 1.00 0.00 O ATOM 0 H TYR A 93 8.068 4.543 3.328 1.00 0.00 H new ATOM 0 HA TYR A 93 8.435 4.380 6.249 1.00 0.00 H new ATOM 0 HB2 TYR A 93 6.069 5.711 4.957 1.00 0.00 H new ATOM 0 HB3 TYR A 93 6.466 5.606 6.661 1.00 0.00 H new ATOM 0 HD1 TYR A 93 8.536 6.911 7.506 1.00 0.00 H new ATOM 0 HD2 TYR A 93 6.844 7.446 3.649 1.00 0.00 H new ATOM 0 HE1 TYR A 93 9.668 9.085 7.317 1.00 0.00 H new ATOM 0 HE2 TYR A 93 7.968 9.620 3.443 1.00 0.00 H new ATOM 0 HH TYR A 93 9.298 11.111 4.395 1.00 0.00 H new ATOM 1408 N TYR A 94 6.005 3.010 6.077 1.00 0.00 N ATOM 1409 CA TYR A 94 5.280 1.746 6.061 1.00 0.00 C ATOM 1410 C TYR A 94 3.839 1.896 6.522 1.00 0.00 C ATOM 1411 O TYR A 94 3.552 2.591 7.498 1.00 0.00 O ATOM 1412 CB TYR A 94 5.986 0.713 6.946 1.00 0.00 C ATOM 1413 CG TYR A 94 7.330 0.256 6.423 1.00 0.00 C ATOM 1414 CD1 TYR A 94 7.424 -0.456 5.237 1.00 0.00 C ATOM 1415 CD2 TYR A 94 8.500 0.521 7.122 1.00 0.00 C ATOM 1416 CE1 TYR A 94 8.641 -0.893 4.761 1.00 0.00 C ATOM 1417 CE2 TYR A 94 9.726 0.089 6.650 1.00 0.00 C ATOM 1418 CZ TYR A 94 9.790 -0.619 5.468 1.00 0.00 C ATOM 1419 OH TYR A 94 11.004 -1.055 4.988 1.00 0.00 O ATOM 0 H TYR A 94 5.753 3.641 6.838 1.00 0.00 H new ATOM 0 HA TYR A 94 5.268 1.407 5.025 1.00 0.00 H new ATOM 0 HB2 TYR A 94 6.122 1.137 7.941 1.00 0.00 H new ATOM 0 HB3 TYR A 94 5.338 -0.156 7.056 1.00 0.00 H new ATOM 0 HD1 TYR A 94 6.527 -0.672 4.676 1.00 0.00 H new ATOM 0 HD2 TYR A 94 8.452 1.073 8.049 1.00 0.00 H new ATOM 0 HE1 TYR A 94 8.693 -1.449 3.836 1.00 0.00 H new ATOM 0 HE2 TYR A 94 10.628 0.305 7.204 1.00 0.00 H new ATOM 0 HH TYR A 94 11.716 -0.780 5.602 1.00 0.00 H new ATOM 1429 N ASP A 95 2.943 1.234 5.801 1.00 0.00 N ATOM 1430 CA ASP A 95 1.549 1.120 6.206 1.00 0.00 C ATOM 1431 C ASP A 95 1.133 -0.342 6.193 1.00 0.00 C ATOM 1432 O ASP A 95 1.089 -0.978 5.138 1.00 0.00 O ATOM 1433 CB ASP A 95 0.634 1.931 5.286 1.00 0.00 C ATOM 1434 CG ASP A 95 -0.829 1.775 5.660 1.00 0.00 C ATOM 1435 OD1 ASP A 95 -1.179 2.044 6.828 1.00 0.00 O ATOM 1436 OD2 ASP A 95 -1.631 1.367 4.794 1.00 0.00 O ATOM 0 H ASP A 95 3.161 0.763 4.923 1.00 0.00 H new ATOM 0 HA ASP A 95 1.452 1.522 7.215 1.00 0.00 H new ATOM 0 HB2 ASP A 95 0.911 2.984 5.336 1.00 0.00 H new ATOM 0 HB3 ASP A 95 0.781 1.611 4.254 1.00 0.00 H new ATOM 1441 N ASN A 96 0.868 -0.881 7.371 1.00 0.00 N ATOM 1442 CA ASN A 96 0.484 -2.283 7.506 1.00 0.00 C ATOM 1443 C ASN A 96 -0.630 -2.434 8.534 1.00 0.00 C ATOM 1444 O ASN A 96 -1.593 -3.172 8.311 1.00 0.00 O ATOM 1445 CB ASN A 96 1.694 -3.156 7.893 1.00 0.00 C ATOM 1446 CG ASN A 96 2.331 -2.797 9.230 1.00 0.00 C ATOM 1447 OD1 ASN A 96 2.261 -1.660 9.692 1.00 0.00 O ATOM 1448 ND2 ASN A 96 2.983 -3.769 9.853 1.00 0.00 N ATOM 0 H ASN A 96 0.911 -0.370 8.253 1.00 0.00 H new ATOM 0 HA ASN A 96 0.116 -2.625 6.539 1.00 0.00 H new ATOM 0 HB2 ASN A 96 1.378 -4.199 7.924 1.00 0.00 H new ATOM 0 HB3 ASN A 96 2.449 -3.074 7.112 1.00 0.00 H new ATOM 0 HD21 ASN A 96 3.446 -3.584 10.743 1.00 0.00 H new ATOM 0 HD22 ASN A 96 3.022 -4.702 9.442 1.00 0.00 H new ATOM 1455 N ASN A 97 -0.470 -1.719 9.648 1.00 0.00 N ATOM 1456 CA ASN A 97 -1.399 -1.724 10.780 1.00 0.00 C ATOM 1457 C ASN A 97 -0.642 -1.213 12.001 1.00 0.00 C ATOM 1458 O ASN A 97 -1.129 -0.363 12.746 1.00 0.00 O ATOM 1459 CB ASN A 97 -1.960 -3.134 11.057 1.00 0.00 C ATOM 1460 CG ASN A 97 -0.983 -4.033 11.768 1.00 0.00 C ATOM 1461 OD1 ASN A 97 -0.051 -4.548 11.160 1.00 0.00 O ATOM 1462 ND2 ASN A 97 -1.194 -4.231 13.061 1.00 0.00 N ATOM 0 H ASN A 97 0.331 -1.104 9.792 1.00 0.00 H new ATOM 0 HA ASN A 97 -2.251 -1.085 10.550 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -2.866 -3.046 11.657 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -2.247 -3.596 10.112 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -0.567 -4.834 13.594 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -1.983 -3.780 13.524 1.00 0.00 H new ATOM 1469 N ASN A 98 0.575 -1.743 12.154 1.00 0.00 N ATOM 1470 CA ASN A 98 1.496 -1.399 13.224 1.00 0.00 C ATOM 1471 C ASN A 98 2.619 -2.424 13.204 1.00 0.00 C ATOM 1472 O ASN A 98 3.763 -2.094 12.898 1.00 0.00 O ATOM 1473 CB ASN A 98 0.817 -1.378 14.601 1.00 0.00 C ATOM 1474 CG ASN A 98 1.774 -0.973 15.707 1.00 0.00 C ATOM 1475 OD1 ASN A 98 2.377 -1.821 16.363 1.00 0.00 O ATOM 1476 ND2 ASN A 98 1.927 0.328 15.918 1.00 0.00 N ATOM 0 H ASN A 98 0.951 -2.443 11.514 1.00 0.00 H new ATOM 0 HA ASN A 98 1.875 -0.391 13.058 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -0.024 -0.685 14.579 1.00 0.00 H new ATOM 0 HB3 ASN A 98 0.410 -2.366 14.819 1.00 0.00 H new ATOM 0 HD21 ASN A 98 2.563 0.655 16.645 1.00 0.00 H new ATOM 0 HD22 ASN A 98 1.409 1.001 15.353 1.00 0.00 H new ATOM 1483 N SER A 99 2.275 -3.684 13.490 1.00 0.00 N ATOM 1484 CA SER A 99 3.226 -4.786 13.384 1.00 0.00 C ATOM 1485 C SER A 99 2.505 -6.139 13.251 1.00 0.00 C ATOM 1486 O SER A 99 2.783 -7.077 13.998 1.00 0.00 O ATOM 1487 CB SER A 99 4.163 -4.816 14.604 1.00 0.00 C ATOM 1488 OG SER A 99 4.932 -3.627 14.703 1.00 0.00 O ATOM 0 H SER A 99 1.343 -3.962 13.797 1.00 0.00 H new ATOM 0 HA SER A 99 3.817 -4.620 12.483 1.00 0.00 H new ATOM 0 HB2 SER A 99 3.574 -4.946 15.512 1.00 0.00 H new ATOM 0 HB3 SER A 99 4.829 -5.676 14.530 1.00 0.00 H new ATOM 0 HG SER A 99 4.872 -3.127 13.862 1.00 0.00 H new ATOM 1494 N ALA A 100 1.568 -6.235 12.314 1.00 0.00 N ATOM 1495 CA ALA A 100 0.846 -7.485 12.085 1.00 0.00 C ATOM 1496 C ALA A 100 0.683 -7.784 10.599 1.00 0.00 C ATOM 1497 O ALA A 100 0.616 -8.954 10.216 1.00 0.00 O ATOM 1498 CB ALA A 100 -0.515 -7.452 12.754 1.00 0.00 C ATOM 0 H ALA A 100 1.290 -5.467 11.703 1.00 0.00 H new ATOM 0 HA ALA A 100 1.444 -8.283 12.527 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -1.034 -8.393 12.570 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -0.389 -7.311 13.828 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -1.101 -6.629 12.346 1.00 0.00 H new ATOM 1504 N ASN A 101 0.572 -6.722 9.783 1.00 0.00 N ATOM 1505 CA ASN A 101 0.455 -6.845 8.315 1.00 0.00 C ATOM 1506 C ASN A 101 -0.981 -7.088 7.927 1.00 0.00 C ATOM 1507 O ASN A 101 -1.769 -7.617 8.707 1.00 0.00 O ATOM 1508 CB ASN A 101 1.362 -7.945 7.740 1.00 0.00 C ATOM 1509 CG ASN A 101 2.830 -7.575 7.805 1.00 0.00 C ATOM 1510 OD1 ASN A 101 3.189 -6.396 7.789 1.00 0.00 O ATOM 1511 ND2 ASN A 101 3.692 -8.574 7.873 1.00 0.00 N ATOM 0 H ASN A 101 0.561 -5.758 10.117 1.00 0.00 H new ATOM 0 HA ASN A 101 0.792 -5.902 7.885 1.00 0.00 H new ATOM 0 HB2 ASN A 101 1.199 -8.871 8.291 1.00 0.00 H new ATOM 0 HB3 ASN A 101 1.084 -8.137 6.704 1.00 0.00 H new ATOM 0 HD21 ASN A 101 4.693 -8.382 7.914 1.00 0.00 H new ATOM 0 HD22 ASN A 101 3.357 -9.537 7.884 1.00 0.00 H new ATOM 1518 N TYR A 102 -1.334 -6.637 6.738 1.00 0.00 N ATOM 1519 CA TYR A 102 -2.668 -6.842 6.220 1.00 0.00 C ATOM 1520 C TYR A 102 -2.860 -8.313 5.901 1.00 0.00 C ATOM 1521 O TYR A 102 -2.368 -8.802 4.885 1.00 0.00 O ATOM 1522 CB TYR A 102 -2.903 -5.993 4.972 1.00 0.00 C ATOM 1523 CG TYR A 102 -2.971 -4.504 5.236 1.00 0.00 C ATOM 1524 CD1 TYR A 102 -4.100 -3.939 5.813 1.00 0.00 C ATOM 1525 CD2 TYR A 102 -1.915 -3.665 4.902 1.00 0.00 C ATOM 1526 CE1 TYR A 102 -4.176 -2.582 6.051 1.00 0.00 C ATOM 1527 CE2 TYR A 102 -1.984 -2.304 5.139 1.00 0.00 C ATOM 1528 CZ TYR A 102 -3.118 -1.770 5.714 1.00 0.00 C ATOM 1529 OH TYR A 102 -3.194 -0.418 5.955 1.00 0.00 O ATOM 0 H TYR A 102 -0.711 -6.125 6.113 1.00 0.00 H new ATOM 0 HA TYR A 102 -3.393 -6.535 6.974 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -2.102 -6.188 4.258 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -3.834 -6.310 4.501 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -4.933 -4.572 6.080 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -1.027 -4.082 4.450 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -5.063 -2.159 6.500 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -1.155 -1.664 4.875 1.00 0.00 H new ATOM 0 HH TYR A 102 -2.743 0.069 5.234 1.00 0.00 H new ATOM 1539 N GLN A 103 -3.544 -9.012 6.792 1.00 0.00 N ATOM 1540 CA GLN A 103 -3.771 -10.435 6.638 1.00 0.00 C ATOM 1541 C GLN A 103 -4.847 -10.677 5.594 1.00 0.00 C ATOM 1542 O GLN A 103 -5.947 -10.128 5.686 1.00 0.00 O ATOM 1543 CB GLN A 103 -4.191 -11.046 7.977 1.00 0.00 C ATOM 1544 CG GLN A 103 -3.309 -12.199 8.435 1.00 0.00 C ATOM 1545 CD GLN A 103 -1.848 -11.819 8.633 1.00 0.00 C ATOM 1546 OE1 GLN A 103 -0.957 -12.649 8.443 1.00 0.00 O ATOM 1547 NE2 GLN A 103 -1.582 -10.580 9.027 1.00 0.00 N ATOM 0 H GLN A 103 -3.954 -8.611 7.635 1.00 0.00 H new ATOM 0 HA GLN A 103 -2.846 -10.909 6.309 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -4.179 -10.267 8.740 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -5.219 -11.398 7.897 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -3.702 -12.593 9.372 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -3.369 -13.003 7.701 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -2.343 -9.917 9.175 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -0.616 -10.290 9.182 1.00 0.00 H new ATOM 1556 N VAL A 104 -4.525 -11.470 4.591 1.00 0.00 N ATOM 1557 CA VAL A 104 -5.468 -11.771 3.535 1.00 0.00 C ATOM 1558 C VAL A 104 -6.198 -13.075 3.828 1.00 0.00 C ATOM 1559 O VAL A 104 -5.640 -13.993 4.428 1.00 0.00 O ATOM 1560 CB VAL A 104 -4.764 -11.873 2.170 1.00 0.00 C ATOM 1561 CG1 VAL A 104 -5.788 -11.935 1.047 1.00 0.00 C ATOM 1562 CG2 VAL A 104 -3.806 -10.706 1.976 1.00 0.00 C ATOM 0 H VAL A 104 -3.615 -11.918 4.486 1.00 0.00 H new ATOM 0 HA VAL A 104 -6.188 -10.954 3.495 1.00 0.00 H new ATOM 0 HB VAL A 104 -4.181 -12.794 2.146 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -5.273 -12.007 0.089 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -6.425 -12.809 1.183 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -6.401 -11.034 1.063 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -3.317 -10.794 1.006 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -4.361 -9.769 2.019 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -3.053 -10.718 2.764 1.00 0.00 H new ATOM 1572 N SER A 105 -7.446 -13.146 3.404 1.00 0.00 N ATOM 1573 CA SER A 105 -8.255 -14.330 3.619 1.00 0.00 C ATOM 1574 C SER A 105 -8.161 -15.246 2.406 1.00 0.00 C ATOM 1575 O SER A 105 -8.630 -14.902 1.323 1.00 0.00 O ATOM 1576 CB SER A 105 -9.707 -13.928 3.869 1.00 0.00 C ATOM 1577 OG SER A 105 -9.789 -12.928 4.874 1.00 0.00 O ATOM 0 H SER A 105 -7.923 -12.394 2.907 1.00 0.00 H new ATOM 0 HA SER A 105 -7.884 -14.865 4.493 1.00 0.00 H new ATOM 0 HB2 SER A 105 -10.151 -13.558 2.945 1.00 0.00 H new ATOM 0 HB3 SER A 105 -10.284 -14.802 4.172 1.00 0.00 H new ATOM 0 HG SER A 105 -10.727 -12.684 5.017 1.00 0.00 H new ATOM 1583 N THR A 106 -7.543 -16.401 2.582 1.00 0.00 N ATOM 1584 CA THR A 106 -7.356 -17.325 1.480 1.00 0.00 C ATOM 1585 C THR A 106 -8.248 -18.554 1.639 1.00 0.00 C ATOM 1586 O THR A 106 -7.725 -19.659 1.904 1.00 0.00 O ATOM 1587 CB THR A 106 -5.876 -17.744 1.351 1.00 0.00 C ATOM 1588 OG1 THR A 106 -5.268 -17.845 2.652 1.00 0.00 O ATOM 1589 CG2 THR A 106 -5.104 -16.747 0.503 1.00 0.00 C ATOM 1590 OXT THR A 106 -9.484 -18.401 1.529 1.00 0.00 O ATOM 0 H THR A 106 -7.164 -16.719 3.474 1.00 0.00 H new ATOM 0 HA THR A 106 -7.644 -16.809 0.564 1.00 0.00 H new ATOM 0 HB THR A 106 -5.844 -18.718 0.863 1.00 0.00 H new ATOM 0 HG1 THR A 106 -4.330 -18.113 2.555 1.00 0.00 H new ATOM 0 HG21 THR A 106 -4.064 -17.063 0.426 1.00 0.00 H new ATOM 0 HG22 THR A 106 -5.543 -16.700 -0.493 1.00 0.00 H new ATOM 0 HG23 THR A 106 -5.150 -15.762 0.967 1.00 0.00 H new