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 91 LYS NZ :NH3+ 167:sc= -0.0102 (180deg=-0.144) USER MOD Set 1.2: A 93 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 50 ASN : amide:sc= 0.5 K(o=0.97,f=-0.68) USER MOD Set 2.2: A 52 ASN : amide:sc= 0.469 K(o=0.97,f=-1.6) USER MOD Set 3.1: A 13 SER OG : rot -63:sc= 0.922 USER MOD Set 3.2: A 24 LYS NZ :NH3+ -156:sc= 0.917 (180deg=0.972) USER MOD Set 4.1: A 19 SER OG : rot 55:sc= 1.09 USER MOD Set 4.2: A 75 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 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -0.803 X(o=-0.8,f=-1.1) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 29:sc= 1.08 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= 0.143 K(o=0.14,f=-5!) 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 34 LYS NZ :NH3+ 166:sc= 2.21 (180deg=1.25) USER MOD Single : A 35 LYS NZ :NH3+ -147:sc= 0.201 (180deg=0.0035) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 10:sc= -0.217 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -0.7 K(o=-0.7,f=-6.7!) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 49 ASN : amide:sc= -0.0184 K(o=-0.018,f=-1) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 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 USER MOD Single : A 66 ASN : amide:sc=-0.000677 K(o=-0.00068,f=-1.1) USER MOD Single : A 67 TYR OH : rot 41:sc= 0.528 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 175:sc= 1.18 (180deg=0.986) USER MOD Single : A 80 LYS NZ :NH3+ 144:sc= -0.78! (180deg=-3.32!) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ -99:sc= 1.27 (180deg=0.494) USER MOD Single : A 86 TYR OH : rot 108:sc= -2.17! USER MOD Single : A 89 SER OG : rot -39:sc= 0.159 USER MOD Single : A 92 THR OG1 : rot 180:sc= -0.0116 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 ASN : amide:sc= -0.0295 K(o=-0.03,f=-7.4!) USER MOD Single : A 97 ASN : amide:sc= -0.0367 X(o=-0.037,f=-0.4) USER MOD Single : A 98 ASN : amide:sc= -0.0634 X(o=-0.063,f=-0.31) USER MOD Single : A 99 SER OG : rot -56:sc= 0.0355 USER MOD Single : A 101 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 102 TYR OH : rot -153:sc= 1.34 USER MOD Single : A 103 GLN : amide:sc= -0.991 K(o=-0.99,f=-0.44) USER MOD Single : A 105 SER OG : rot 55:sc= 0.0604 USER MOD Single : A 106 THR OG1 : rot 180:sc= 0.0614 USER MOD ----------------------------------------------------------------- ATOM 43 N PRO A 4 -5.624 11.285 8.446 1.00 0.00 N ATOM 44 CA PRO A 4 -4.493 10.987 9.329 1.00 0.00 C ATOM 45 C PRO A 4 -3.442 12.096 9.322 1.00 0.00 C ATOM 46 O PRO A 4 -3.176 12.712 8.289 1.00 0.00 O ATOM 47 CB PRO A 4 -3.908 9.704 8.735 1.00 0.00 C ATOM 48 CG PRO A 4 -4.326 9.730 7.304 1.00 0.00 C ATOM 49 CD PRO A 4 -5.680 10.368 7.296 1.00 0.00 C ATOM 0 HA PRO A 4 -4.805 10.892 10.369 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -2.822 9.681 8.831 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -4.292 8.820 9.244 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -3.620 10.299 6.699 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -4.364 8.723 6.888 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -5.869 10.901 6.364 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -6.474 9.630 7.407 1.00 0.00 H new ATOM 57 N SER A 5 -2.850 12.350 10.473 1.00 0.00 N ATOM 58 CA SER A 5 -1.796 13.345 10.582 1.00 0.00 C ATOM 59 C SER A 5 -0.577 12.741 11.282 1.00 0.00 C ATOM 60 O SER A 5 0.518 13.303 11.260 1.00 0.00 O ATOM 61 CB SER A 5 -2.314 14.567 11.347 1.00 0.00 C ATOM 62 OG SER A 5 -1.467 15.690 11.168 1.00 0.00 O ATOM 0 H SER A 5 -3.080 11.881 11.349 1.00 0.00 H new ATOM 0 HA SER A 5 -1.494 13.664 9.584 1.00 0.00 H new ATOM 0 HB2 SER A 5 -3.320 14.811 11.006 1.00 0.00 H new ATOM 0 HB3 SER A 5 -2.386 14.330 12.408 1.00 0.00 H new ATOM 0 HG SER A 5 -1.826 16.453 11.667 1.00 0.00 H new ATOM 68 N SER A 6 -0.775 11.579 11.894 1.00 0.00 N ATOM 69 CA SER A 6 0.290 10.892 12.611 1.00 0.00 C ATOM 70 C SER A 6 1.050 9.940 11.688 1.00 0.00 C ATOM 71 O SER A 6 2.065 9.356 12.072 1.00 0.00 O ATOM 72 CB SER A 6 -0.310 10.113 13.780 1.00 0.00 C ATOM 73 OG SER A 6 -1.144 10.945 14.567 1.00 0.00 O ATOM 0 H SER A 6 -1.671 11.091 11.907 1.00 0.00 H new ATOM 0 HA SER A 6 0.995 11.635 12.983 1.00 0.00 H new ATOM 0 HB2 SER A 6 -0.885 9.268 13.402 1.00 0.00 H new ATOM 0 HB3 SER A 6 0.489 9.704 14.398 1.00 0.00 H new ATOM 0 HG SER A 6 -1.519 10.425 15.308 1.00 0.00 H new ATOM 79 N ALA A 7 0.552 9.787 10.471 1.00 0.00 N ATOM 80 CA ALA A 7 1.145 8.879 9.509 1.00 0.00 C ATOM 81 C ALA A 7 1.443 9.602 8.205 1.00 0.00 C ATOM 82 O ALA A 7 0.904 10.677 7.949 1.00 0.00 O ATOM 83 CB ALA A 7 0.205 7.714 9.260 1.00 0.00 C ATOM 0 H ALA A 7 -0.268 10.286 10.127 1.00 0.00 H new ATOM 0 HA ALA A 7 2.084 8.502 9.913 1.00 0.00 H new ATOM 0 HB1 ALA A 7 0.653 7.033 8.536 1.00 0.00 H new ATOM 0 HB2 ALA A 7 0.027 7.184 10.196 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -0.741 8.087 8.869 1.00 0.00 H new ATOM 89 N SER A 8 2.314 9.012 7.399 1.00 0.00 N ATOM 90 CA SER A 8 2.621 9.547 6.082 1.00 0.00 C ATOM 91 C SER A 8 1.716 8.890 5.051 1.00 0.00 C ATOM 92 O SER A 8 1.414 9.460 4.002 1.00 0.00 O ATOM 93 CB SER A 8 4.085 9.279 5.731 1.00 0.00 C ATOM 94 OG SER A 8 4.918 9.441 6.870 1.00 0.00 O ATOM 0 H SER A 8 2.822 8.160 7.636 1.00 0.00 H new ATOM 0 HA SER A 8 2.454 10.624 6.084 1.00 0.00 H new ATOM 0 HB2 SER A 8 4.190 8.267 5.340 1.00 0.00 H new ATOM 0 HB3 SER A 8 4.404 9.960 4.942 1.00 0.00 H new ATOM 0 HG SER A 8 5.849 9.263 6.622 1.00 0.00 H new ATOM 100 N VAL A 9 1.294 7.675 5.366 1.00 0.00 N ATOM 101 CA VAL A 9 0.418 6.914 4.502 1.00 0.00 C ATOM 102 C VAL A 9 -0.462 5.992 5.334 1.00 0.00 C ATOM 103 O VAL A 9 -0.060 5.516 6.396 1.00 0.00 O ATOM 104 CB VAL A 9 1.226 6.101 3.462 1.00 0.00 C ATOM 105 CG1 VAL A 9 2.369 5.376 4.130 1.00 0.00 C ATOM 106 CG2 VAL A 9 0.349 5.110 2.708 1.00 0.00 C ATOM 0 H VAL A 9 1.551 7.193 6.227 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.217 7.613 3.957 1.00 0.00 H new ATOM 0 HB VAL A 9 1.625 6.810 2.737 1.00 0.00 H new ATOM 0 HG11 VAL A 9 2.926 4.810 3.384 1.00 0.00 H new ATOM 0 HG12 VAL A 9 3.031 6.100 4.605 1.00 0.00 H new ATOM 0 HG13 VAL A 9 1.976 4.694 4.884 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.956 4.561 1.988 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -0.099 4.410 3.414 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -0.439 5.649 2.181 1.00 0.00 H new ATOM 116 N GLN A 10 -1.670 5.785 4.856 1.00 0.00 N ATOM 117 CA GLN A 10 -2.642 4.942 5.517 1.00 0.00 C ATOM 118 C GLN A 10 -3.322 4.048 4.489 1.00 0.00 C ATOM 119 O GLN A 10 -3.783 4.525 3.456 1.00 0.00 O ATOM 120 CB GLN A 10 -3.680 5.823 6.210 1.00 0.00 C ATOM 121 CG GLN A 10 -4.803 5.057 6.880 1.00 0.00 C ATOM 122 CD GLN A 10 -5.906 5.976 7.351 1.00 0.00 C ATOM 123 OE1 GLN A 10 -6.871 6.233 6.631 1.00 0.00 O ATOM 124 NE2 GLN A 10 -5.763 6.493 8.556 1.00 0.00 N ATOM 0 H GLN A 10 -2.008 6.202 3.989 1.00 0.00 H new ATOM 0 HA GLN A 10 -2.146 4.316 6.259 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -3.177 6.436 6.958 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -4.109 6.505 5.476 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -5.212 4.327 6.182 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -4.407 4.500 7.729 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -4.948 6.254 9.120 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -6.468 7.132 8.924 1.00 0.00 H new ATOM 133 N LEU A 11 -3.356 2.758 4.744 1.00 0.00 N ATOM 134 CA LEU A 11 -4.084 1.855 3.873 1.00 0.00 C ATOM 135 C LEU A 11 -5.580 2.049 4.050 1.00 0.00 C ATOM 136 O LEU A 11 -6.082 2.128 5.173 1.00 0.00 O ATOM 137 CB LEU A 11 -3.736 0.404 4.164 1.00 0.00 C ATOM 138 CG LEU A 11 -4.359 -0.598 3.193 1.00 0.00 C ATOM 139 CD1 LEU A 11 -3.751 -0.443 1.809 1.00 0.00 C ATOM 140 CD2 LEU A 11 -4.168 -2.010 3.714 1.00 0.00 C ATOM 0 H LEU A 11 -2.895 2.313 5.537 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.797 2.086 2.847 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -2.652 0.290 4.140 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -4.059 0.161 5.176 1.00 0.00 H new ATOM 0 HG LEU A 11 -5.428 -0.400 3.115 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -4.205 -1.164 1.129 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -3.934 0.567 1.442 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -2.677 -0.621 1.861 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -4.615 -2.719 3.017 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.103 -2.220 3.813 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -4.649 -2.107 4.687 1.00 0.00 H new ATOM 152 N ASP A 12 -6.283 2.137 2.934 1.00 0.00 N ATOM 153 CA ASP A 12 -7.729 2.267 2.947 1.00 0.00 C ATOM 154 C ASP A 12 -8.370 0.905 3.137 1.00 0.00 C ATOM 155 O ASP A 12 -9.009 0.637 4.154 1.00 0.00 O ATOM 156 CB ASP A 12 -8.215 2.887 1.637 1.00 0.00 C ATOM 157 CG ASP A 12 -9.725 3.011 1.569 1.00 0.00 C ATOM 158 OD1 ASP A 12 -10.282 3.962 2.152 1.00 0.00 O ATOM 159 OD2 ASP A 12 -10.363 2.154 0.926 1.00 0.00 O ATOM 0 H ASP A 12 -5.871 2.121 2.001 1.00 0.00 H new ATOM 0 HA ASP A 12 -8.014 2.917 3.774 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -7.769 3.874 1.520 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -7.867 2.279 0.802 1.00 0.00 H new ATOM 164 N SER A 13 -8.152 0.041 2.155 1.00 0.00 N ATOM 165 CA SER A 13 -8.745 -1.298 2.147 1.00 0.00 C ATOM 166 C SER A 13 -8.393 -2.065 0.883 1.00 0.00 C ATOM 167 O SER A 13 -7.894 -1.499 -0.096 1.00 0.00 O ATOM 168 CB SER A 13 -10.267 -1.218 2.294 1.00 0.00 C ATOM 169 OG SER A 13 -10.837 -0.399 1.289 1.00 0.00 O ATOM 0 H SER A 13 -7.565 0.242 1.346 1.00 0.00 H new ATOM 0 HA SER A 13 -8.328 -1.836 2.998 1.00 0.00 H new ATOM 0 HB2 SER A 13 -10.694 -2.219 2.236 1.00 0.00 H new ATOM 0 HB3 SER A 13 -10.520 -0.821 3.277 1.00 0.00 H new ATOM 0 HG SER A 13 -10.505 0.518 1.387 1.00 0.00 H new ATOM 175 N TYR A 14 -8.656 -3.361 0.935 1.00 0.00 N ATOM 176 CA TYR A 14 -8.347 -4.284 -0.139 1.00 0.00 C ATOM 177 C TYR A 14 -9.243 -5.511 -0.014 1.00 0.00 C ATOM 178 O TYR A 14 -9.847 -5.729 1.038 1.00 0.00 O ATOM 179 CB TYR A 14 -6.874 -4.679 -0.068 1.00 0.00 C ATOM 180 CG TYR A 14 -6.482 -5.301 1.250 1.00 0.00 C ATOM 181 CD1 TYR A 14 -6.058 -4.527 2.319 1.00 0.00 C ATOM 182 CD2 TYR A 14 -6.530 -6.666 1.414 1.00 0.00 C ATOM 183 CE1 TYR A 14 -5.697 -5.110 3.519 1.00 0.00 C ATOM 184 CE2 TYR A 14 -6.171 -7.262 2.600 1.00 0.00 C ATOM 185 CZ TYR A 14 -5.754 -6.482 3.653 1.00 0.00 C ATOM 186 OH TYR A 14 -5.391 -7.073 4.843 1.00 0.00 O ATOM 0 H TYR A 14 -9.098 -3.806 1.740 1.00 0.00 H new ATOM 0 HA TYR A 14 -8.529 -3.810 -1.104 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -6.655 -5.382 -0.872 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -6.260 -3.795 -0.241 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -6.009 -3.453 2.213 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -6.858 -7.284 0.591 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -5.373 -4.496 4.346 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -6.216 -8.336 2.704 1.00 0.00 H new ATOM 0 HH TYR A 14 -5.490 -8.045 4.769 1.00 0.00 H new ATOM 196 N ASN A 15 -9.340 -6.302 -1.068 1.00 0.00 N ATOM 197 CA ASN A 15 -10.197 -7.481 -1.039 1.00 0.00 C ATOM 198 C ASN A 15 -9.691 -8.548 -2.004 1.00 0.00 C ATOM 199 O ASN A 15 -8.878 -8.268 -2.891 1.00 0.00 O ATOM 200 CB ASN A 15 -11.644 -7.088 -1.372 1.00 0.00 C ATOM 201 CG ASN A 15 -12.638 -8.218 -1.173 1.00 0.00 C ATOM 202 OD1 ASN A 15 -12.948 -8.960 -2.102 1.00 0.00 O ATOM 203 ND2 ASN A 15 -13.147 -8.355 0.040 1.00 0.00 N ATOM 0 H ASN A 15 -8.843 -6.155 -1.947 1.00 0.00 H new ATOM 0 HA ASN A 15 -10.171 -7.903 -0.034 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -11.936 -6.243 -0.748 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -11.692 -6.751 -2.407 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -13.821 -9.096 0.229 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -12.865 -7.719 0.786 1.00 0.00 H new ATOM 210 N TYR A 16 -10.184 -9.765 -1.821 1.00 0.00 N ATOM 211 CA TYR A 16 -9.757 -10.913 -2.606 1.00 0.00 C ATOM 212 C TYR A 16 -10.977 -11.666 -3.118 1.00 0.00 C ATOM 213 O TYR A 16 -12.016 -11.694 -2.456 1.00 0.00 O ATOM 214 CB TYR A 16 -8.911 -11.855 -1.750 1.00 0.00 C ATOM 215 CG TYR A 16 -8.120 -12.875 -2.539 1.00 0.00 C ATOM 216 CD1 TYR A 16 -6.901 -12.537 -3.105 1.00 0.00 C ATOM 217 CD2 TYR A 16 -8.582 -14.175 -2.707 1.00 0.00 C ATOM 218 CE1 TYR A 16 -6.166 -13.459 -3.817 1.00 0.00 C ATOM 219 CE2 TYR A 16 -7.851 -15.105 -3.422 1.00 0.00 C ATOM 220 CZ TYR A 16 -6.642 -14.739 -3.974 1.00 0.00 C ATOM 221 OH TYR A 16 -5.905 -15.655 -4.687 1.00 0.00 O ATOM 0 H TYR A 16 -10.893 -9.984 -1.122 1.00 0.00 H new ATOM 0 HA TYR A 16 -9.161 -10.558 -3.447 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -8.220 -11.261 -1.152 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -9.565 -12.380 -1.054 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -6.521 -11.533 -2.986 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -9.527 -14.463 -2.272 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -5.218 -13.177 -4.251 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -8.224 -16.111 -3.547 1.00 0.00 H new ATOM 0 HH TYR A 16 -6.378 -16.513 -4.705 1.00 0.00 H new ATOM 231 N ASP A 17 -10.838 -12.291 -4.277 1.00 0.00 N ATOM 232 CA ASP A 17 -11.936 -13.044 -4.886 1.00 0.00 C ATOM 233 C ASP A 17 -11.452 -13.759 -6.140 1.00 0.00 C ATOM 234 O ASP A 17 -11.027 -13.113 -7.098 1.00 0.00 O ATOM 235 CB ASP A 17 -13.104 -12.118 -5.238 1.00 0.00 C ATOM 236 CG ASP A 17 -14.361 -12.885 -5.597 1.00 0.00 C ATOM 237 OD1 ASP A 17 -15.120 -13.249 -4.673 1.00 0.00 O ATOM 238 OD2 ASP A 17 -14.603 -13.121 -6.800 1.00 0.00 O ATOM 0 H ASP A 17 -9.975 -12.295 -4.820 1.00 0.00 H new ATOM 0 HA ASP A 17 -12.283 -13.781 -4.162 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -13.311 -11.461 -4.393 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -12.819 -11.480 -6.075 1.00 0.00 H new ATOM 243 N GLY A 18 -11.517 -15.087 -6.126 1.00 0.00 N ATOM 244 CA GLY A 18 -10.998 -15.874 -7.234 1.00 0.00 C ATOM 245 C GLY A 18 -9.504 -15.697 -7.371 1.00 0.00 C ATOM 246 O GLY A 18 -8.726 -16.319 -6.647 1.00 0.00 O ATOM 0 H GLY A 18 -11.921 -15.635 -5.366 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -11.230 -16.927 -7.077 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -11.490 -15.574 -8.159 1.00 0.00 H new ATOM 250 N SER A 19 -9.103 -14.853 -8.302 1.00 0.00 N ATOM 251 CA SER A 19 -7.750 -14.353 -8.327 1.00 0.00 C ATOM 252 C SER A 19 -7.797 -12.857 -8.588 1.00 0.00 C ATOM 253 O SER A 19 -7.670 -12.390 -9.721 1.00 0.00 O ATOM 254 CB SER A 19 -6.946 -15.064 -9.420 1.00 0.00 C ATOM 255 OG SER A 19 -5.629 -14.547 -9.520 1.00 0.00 O ATOM 0 H SER A 19 -9.699 -14.501 -9.051 1.00 0.00 H new ATOM 0 HA SER A 19 -7.261 -14.544 -7.372 1.00 0.00 H new ATOM 0 HB2 SER A 19 -6.903 -16.132 -9.204 1.00 0.00 H new ATOM 0 HB3 SER A 19 -7.455 -14.952 -10.377 1.00 0.00 H new ATOM 0 HG SER A 19 -5.192 -14.594 -8.644 1.00 0.00 H new ATOM 261 N THR A 20 -8.003 -12.113 -7.522 1.00 0.00 N ATOM 262 CA THR A 20 -7.918 -10.671 -7.553 1.00 0.00 C ATOM 263 C THR A 20 -7.431 -10.163 -6.208 1.00 0.00 C ATOM 264 O THR A 20 -7.908 -10.618 -5.172 1.00 0.00 O ATOM 265 CB THR A 20 -9.273 -10.007 -7.885 1.00 0.00 C ATOM 266 OG1 THR A 20 -9.779 -10.504 -9.133 1.00 0.00 O ATOM 267 CG2 THR A 20 -9.119 -8.496 -7.973 1.00 0.00 C ATOM 0 H THR A 20 -8.235 -12.495 -6.605 1.00 0.00 H new ATOM 0 HA THR A 20 -7.216 -10.404 -8.343 1.00 0.00 H new ATOM 0 HB THR A 20 -9.974 -10.250 -7.087 1.00 0.00 H new ATOM 0 HG1 THR A 20 -10.638 -10.077 -9.331 1.00 0.00 H new ATOM 0 HG21 THR A 20 -10.083 -8.045 -8.208 1.00 0.00 H new ATOM 0 HG22 THR A 20 -8.761 -8.111 -7.018 1.00 0.00 H new ATOM 0 HG23 THR A 20 -8.403 -8.248 -8.756 1.00 0.00 H new ATOM 275 N PHE A 21 -6.490 -9.247 -6.219 1.00 0.00 N ATOM 276 CA PHE A 21 -6.121 -8.542 -5.014 1.00 0.00 C ATOM 277 C PHE A 21 -6.058 -7.070 -5.334 1.00 0.00 C ATOM 278 O PHE A 21 -5.123 -6.583 -5.964 1.00 0.00 O ATOM 279 CB PHE A 21 -4.796 -9.041 -4.449 1.00 0.00 C ATOM 280 CG PHE A 21 -4.679 -8.814 -2.975 1.00 0.00 C ATOM 281 CD1 PHE A 21 -5.498 -9.502 -2.099 1.00 0.00 C ATOM 282 CD2 PHE A 21 -3.772 -7.905 -2.465 1.00 0.00 C ATOM 283 CE1 PHE A 21 -5.412 -9.293 -0.742 1.00 0.00 C ATOM 284 CE2 PHE A 21 -3.684 -7.689 -1.102 1.00 0.00 C ATOM 285 CZ PHE A 21 -4.502 -8.386 -0.243 1.00 0.00 C ATOM 0 H PHE A 21 -5.966 -8.973 -7.050 1.00 0.00 H new ATOM 0 HA PHE A 21 -6.869 -8.725 -4.243 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -4.694 -10.106 -4.658 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -3.975 -8.536 -4.957 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -6.214 -10.212 -2.485 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -3.126 -7.359 -3.137 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -6.056 -9.839 -0.069 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -2.974 -6.974 -0.712 1.00 0.00 H new ATOM 0 HZ PHE A 21 -4.431 -8.222 0.822 1.00 0.00 H new ATOM 295 N SER A 22 -7.089 -6.379 -4.931 1.00 0.00 N ATOM 296 CA SER A 22 -7.268 -4.996 -5.304 1.00 0.00 C ATOM 297 C SER A 22 -7.774 -4.201 -4.116 1.00 0.00 C ATOM 298 O SER A 22 -8.194 -4.769 -3.110 1.00 0.00 O ATOM 299 CB SER A 22 -8.249 -4.896 -6.476 1.00 0.00 C ATOM 300 OG SER A 22 -8.279 -3.587 -7.028 1.00 0.00 O ATOM 0 H SER A 22 -7.828 -6.754 -4.337 1.00 0.00 H new ATOM 0 HA SER A 22 -6.310 -4.581 -5.616 1.00 0.00 H new ATOM 0 HB2 SER A 22 -7.966 -5.610 -7.249 1.00 0.00 H new ATOM 0 HB3 SER A 22 -9.248 -5.171 -6.138 1.00 0.00 H new ATOM 0 HG SER A 22 -7.408 -3.157 -6.898 1.00 0.00 H new ATOM 306 N GLY A 23 -7.731 -2.893 -4.252 1.00 0.00 N ATOM 307 CA GLY A 23 -8.107 -2.005 -3.185 1.00 0.00 C ATOM 308 C GLY A 23 -7.542 -0.631 -3.434 1.00 0.00 C ATOM 309 O GLY A 23 -7.279 -0.273 -4.583 1.00 0.00 O ATOM 0 H GLY A 23 -7.434 -2.421 -5.106 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -9.193 -1.952 -3.111 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -7.741 -2.391 -2.234 1.00 0.00 H new ATOM 313 N LYS A 24 -7.333 0.137 -2.383 1.00 0.00 N ATOM 314 CA LYS A 24 -6.788 1.469 -2.544 1.00 0.00 C ATOM 315 C LYS A 24 -6.082 1.953 -1.284 1.00 0.00 C ATOM 316 O LYS A 24 -6.119 1.304 -0.237 1.00 0.00 O ATOM 317 CB LYS A 24 -7.863 2.460 -2.999 1.00 0.00 C ATOM 318 CG LYS A 24 -9.167 2.397 -2.232 1.00 0.00 C ATOM 319 CD LYS A 24 -10.152 1.448 -2.904 1.00 0.00 C ATOM 320 CE LYS A 24 -11.552 1.564 -2.325 1.00 0.00 C ATOM 321 NZ LYS A 24 -11.671 0.924 -0.992 1.00 0.00 N ATOM 0 H LYS A 24 -7.530 -0.134 -1.420 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.035 1.414 -3.330 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -7.461 3.470 -2.917 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -8.072 2.285 -4.054 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -8.977 2.066 -1.211 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -9.603 3.394 -2.168 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -10.185 1.659 -3.973 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -9.799 0.423 -2.792 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -11.822 2.617 -2.244 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -12.264 1.104 -3.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -12.663 0.664 -0.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -11.079 0.069 -0.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -11.354 1.589 -0.258 1.00 0.00 H new ATOM 335 N ILE A 25 -5.447 3.107 -1.413 1.00 0.00 N ATOM 336 CA ILE A 25 -4.506 3.616 -0.426 1.00 0.00 C ATOM 337 C ILE A 25 -4.740 5.106 -0.179 1.00 0.00 C ATOM 338 O ILE A 25 -5.227 5.826 -1.055 1.00 0.00 O ATOM 339 CB ILE A 25 -3.053 3.393 -0.909 1.00 0.00 C ATOM 340 CG1 ILE A 25 -2.793 1.914 -1.127 1.00 0.00 C ATOM 341 CG2 ILE A 25 -2.041 3.946 0.076 1.00 0.00 C ATOM 342 CD1 ILE A 25 -1.485 1.643 -1.819 1.00 0.00 C ATOM 0 H ILE A 25 -5.572 3.724 -2.215 1.00 0.00 H new ATOM 0 HA ILE A 25 -4.663 3.074 0.507 1.00 0.00 H new ATOM 0 HB ILE A 25 -2.937 3.929 -1.851 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -2.801 1.404 -0.164 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -3.605 1.491 -1.718 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -1.033 3.769 -0.300 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -2.200 5.017 0.198 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -2.161 3.449 1.039 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -1.356 0.568 -1.946 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -1.483 2.127 -2.796 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -0.666 2.038 -1.217 1.00 0.00 H new ATOM 354 N TYR A 26 -4.376 5.553 1.010 1.00 0.00 N ATOM 355 CA TYR A 26 -4.641 6.913 1.457 1.00 0.00 C ATOM 356 C TYR A 26 -3.353 7.540 2.023 1.00 0.00 C ATOM 357 O TYR A 26 -2.989 7.280 3.161 1.00 0.00 O ATOM 358 CB TYR A 26 -5.722 6.814 2.537 1.00 0.00 C ATOM 359 CG TYR A 26 -6.450 8.089 2.862 1.00 0.00 C ATOM 360 CD1 TYR A 26 -5.813 9.120 3.520 1.00 0.00 C ATOM 361 CD2 TYR A 26 -7.791 8.238 2.544 1.00 0.00 C ATOM 362 CE1 TYR A 26 -6.490 10.279 3.853 1.00 0.00 C ATOM 363 CE2 TYR A 26 -8.475 9.391 2.865 1.00 0.00 C ATOM 364 CZ TYR A 26 -7.822 10.410 3.520 1.00 0.00 C ATOM 365 OH TYR A 26 -8.504 11.566 3.836 1.00 0.00 O ATOM 0 H TYR A 26 -3.886 4.981 1.698 1.00 0.00 H new ATOM 0 HA TYR A 26 -4.976 7.547 0.636 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -6.455 6.071 2.222 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -5.261 6.439 3.451 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -4.769 9.021 3.779 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -8.308 7.437 2.036 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -5.979 11.077 4.371 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -9.518 9.494 2.604 1.00 0.00 H new ATOM 0 HH TYR A 26 -9.432 11.493 3.529 1.00 0.00 H new ATOM 375 N VAL A 27 -2.664 8.373 1.244 1.00 0.00 N ATOM 376 CA VAL A 27 -1.317 8.830 1.634 1.00 0.00 C ATOM 377 C VAL A 27 -1.052 10.302 1.282 1.00 0.00 C ATOM 378 O VAL A 27 -1.533 10.811 0.272 1.00 0.00 O ATOM 379 CB VAL A 27 -0.231 7.908 1.015 1.00 0.00 C ATOM 380 CG1 VAL A 27 -0.676 7.388 -0.331 1.00 0.00 C ATOM 381 CG2 VAL A 27 1.111 8.611 0.876 1.00 0.00 C ATOM 0 H VAL A 27 -3.001 8.743 0.355 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.266 8.764 2.721 1.00 0.00 H new ATOM 0 HB VAL A 27 -0.100 7.072 1.702 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.099 6.744 -0.747 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.597 6.817 -0.214 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.852 8.226 -1.005 1.00 0.00 H new ATOM 0 HG21 VAL A 27 1.837 7.926 0.439 1.00 0.00 H new ATOM 0 HG22 VAL A 27 1.000 9.482 0.231 1.00 0.00 H new ATOM 0 HG23 VAL A 27 1.459 8.929 1.859 1.00 0.00 H new ATOM 391 N LYS A 28 -0.273 10.967 2.145 1.00 0.00 N ATOM 392 CA LYS A 28 0.009 12.400 2.040 1.00 0.00 C ATOM 393 C LYS A 28 1.343 12.665 1.358 1.00 0.00 C ATOM 394 O LYS A 28 2.237 11.816 1.350 1.00 0.00 O ATOM 395 CB LYS A 28 0.026 13.051 3.425 1.00 0.00 C ATOM 396 CG LYS A 28 1.125 12.532 4.340 1.00 0.00 C ATOM 397 CD LYS A 28 1.080 13.202 5.703 1.00 0.00 C ATOM 398 CE LYS A 28 1.396 14.685 5.612 1.00 0.00 C ATOM 399 NZ LYS A 28 1.207 15.371 6.917 1.00 0.00 N ATOM 0 H LYS A 28 0.182 10.520 2.941 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.787 12.834 1.435 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.144 14.128 3.307 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -0.939 12.887 3.904 1.00 0.00 H new ATOM 0 HG2 LYS A 28 1.020 11.454 4.460 1.00 0.00 H new ATOM 0 HG3 LYS A 28 2.097 12.708 3.879 1.00 0.00 H new ATOM 0 HD2 LYS A 28 0.092 13.067 6.142 1.00 0.00 H new ATOM 0 HD3 LYS A 28 1.794 12.718 6.370 1.00 0.00 H new ATOM 0 HE2 LYS A 28 2.425 14.817 5.277 1.00 0.00 H new ATOM 0 HE3 LYS A 28 0.755 15.148 4.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 1.432 16.381 6.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 0.219 15.266 7.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 1.837 14.946 7.627 1.00 0.00 H new ATOM 413 N ASN A 29 1.449 13.838 0.759 1.00 0.00 N ATOM 414 CA ASN A 29 2.674 14.275 0.106 1.00 0.00 C ATOM 415 C ASN A 29 3.742 14.694 1.116 1.00 0.00 C ATOM 416 O ASN A 29 3.557 15.641 1.876 1.00 0.00 O ATOM 417 CB ASN A 29 2.389 15.446 -0.854 1.00 0.00 C ATOM 418 CG ASN A 29 1.750 16.655 -0.179 1.00 0.00 C ATOM 419 OD1 ASN A 29 0.947 16.523 0.752 1.00 0.00 O ATOM 420 ND2 ASN A 29 2.109 17.847 -0.635 1.00 0.00 N ATOM 0 H ASN A 29 0.689 14.516 0.711 1.00 0.00 H new ATOM 0 HA ASN A 29 3.054 13.424 -0.458 1.00 0.00 H new ATOM 0 HB2 ASN A 29 3.323 15.755 -1.322 1.00 0.00 H new ATOM 0 HB3 ASN A 29 1.733 15.098 -1.652 1.00 0.00 H new ATOM 0 HD21 ASN A 29 1.720 18.692 -0.216 1.00 0.00 H new ATOM 0 HD22 ASN A 29 2.774 17.919 -1.405 1.00 0.00 H new ATOM 427 N ILE A 30 4.849 13.959 1.142 1.00 0.00 N ATOM 428 CA ILE A 30 6.034 14.418 1.857 1.00 0.00 C ATOM 429 C ILE A 30 6.730 15.467 1.004 1.00 0.00 C ATOM 430 O ILE A 30 6.960 16.593 1.439 1.00 0.00 O ATOM 431 CB ILE A 30 7.029 13.275 2.160 1.00 0.00 C ATOM 432 CG1 ILE A 30 6.333 12.113 2.869 1.00 0.00 C ATOM 433 CG2 ILE A 30 8.191 13.785 3.002 1.00 0.00 C ATOM 434 CD1 ILE A 30 5.563 12.504 4.112 1.00 0.00 C ATOM 0 H ILE A 30 4.950 13.054 0.682 1.00 0.00 H new ATOM 0 HA ILE A 30 5.711 14.826 2.815 1.00 0.00 H new ATOM 0 HB ILE A 30 7.418 12.911 1.209 1.00 0.00 H new ATOM 0 HG12 ILE A 30 5.648 11.635 2.169 1.00 0.00 H new ATOM 0 HG13 ILE A 30 7.082 11.369 3.140 1.00 0.00 H new ATOM 0 HG21 ILE A 30 8.881 12.966 3.205 1.00 0.00 H new ATOM 0 HG22 ILE A 30 8.714 14.574 2.461 1.00 0.00 H new ATOM 0 HG23 ILE A 30 7.811 14.181 3.944 1.00 0.00 H new ATOM 0 HD11 ILE A 30 5.103 11.618 4.549 1.00 0.00 H new ATOM 0 HD12 ILE A 30 6.244 12.953 4.835 1.00 0.00 H new ATOM 0 HD13 ILE A 30 4.787 13.223 3.848 1.00 0.00 H new ATOM 446 N ALA A 31 7.059 15.079 -0.222 1.00 0.00 N ATOM 447 CA ALA A 31 7.571 16.013 -1.208 1.00 0.00 C ATOM 448 C ALA A 31 6.460 16.394 -2.185 1.00 0.00 C ATOM 449 O ALA A 31 5.761 17.387 -1.981 1.00 0.00 O ATOM 450 CB ALA A 31 8.765 15.426 -1.933 1.00 0.00 C ATOM 0 H ALA A 31 6.979 14.118 -0.555 1.00 0.00 H new ATOM 0 HA ALA A 31 7.909 16.917 -0.701 1.00 0.00 H new ATOM 0 HB1 ALA A 31 9.133 16.142 -2.667 1.00 0.00 H new ATOM 0 HB2 ALA A 31 9.554 15.205 -1.215 1.00 0.00 H new ATOM 0 HB3 ALA A 31 8.468 14.508 -2.439 1.00 0.00 H new ATOM 456 N TYR A 32 6.288 15.588 -3.229 1.00 0.00 N ATOM 457 CA TYR A 32 5.167 15.741 -4.145 1.00 0.00 C ATOM 458 C TYR A 32 5.006 14.472 -4.974 1.00 0.00 C ATOM 459 O TYR A 32 4.044 13.718 -4.799 1.00 0.00 O ATOM 460 CB TYR A 32 5.355 16.956 -5.062 1.00 0.00 C ATOM 461 CG TYR A 32 4.076 17.387 -5.744 1.00 0.00 C ATOM 462 CD1 TYR A 32 2.952 17.697 -4.992 1.00 0.00 C ATOM 463 CD2 TYR A 32 3.987 17.484 -7.127 1.00 0.00 C ATOM 464 CE1 TYR A 32 1.775 18.092 -5.594 1.00 0.00 C ATOM 465 CE2 TYR A 32 2.811 17.881 -7.739 1.00 0.00 C ATOM 466 CZ TYR A 32 1.705 18.182 -6.967 1.00 0.00 C ATOM 467 OH TYR A 32 0.529 18.578 -7.568 1.00 0.00 O ATOM 0 H TYR A 32 6.916 14.818 -3.461 1.00 0.00 H new ATOM 0 HA TYR A 32 4.264 15.908 -3.557 1.00 0.00 H new ATOM 0 HB2 TYR A 32 5.746 17.788 -4.477 1.00 0.00 H new ATOM 0 HB3 TYR A 32 6.102 16.720 -5.820 1.00 0.00 H new ATOM 0 HD1 TYR A 32 2.999 17.628 -3.915 1.00 0.00 H new ATOM 0 HD2 TYR A 32 4.848 17.246 -7.734 1.00 0.00 H new ATOM 0 HE1 TYR A 32 0.911 18.330 -4.991 1.00 0.00 H new ATOM 0 HE2 TYR A 32 2.758 17.955 -8.815 1.00 0.00 H new ATOM 0 HH TYR A 32 0.647 18.591 -8.541 1.00 0.00 H new ATOM 477 N SER A 33 5.969 14.224 -5.850 1.00 0.00 N ATOM 478 CA SER A 33 5.964 13.027 -6.673 1.00 0.00 C ATOM 479 C SER A 33 6.494 11.844 -5.870 1.00 0.00 C ATOM 480 O SER A 33 7.591 11.898 -5.310 1.00 0.00 O ATOM 481 CB SER A 33 6.798 13.252 -7.934 1.00 0.00 C ATOM 482 OG SER A 33 6.279 14.340 -8.688 1.00 0.00 O ATOM 0 H SER A 33 6.766 14.840 -6.008 1.00 0.00 H new ATOM 0 HA SER A 33 4.942 12.804 -6.979 1.00 0.00 H new ATOM 0 HB2 SER A 33 7.834 13.453 -7.661 1.00 0.00 H new ATOM 0 HB3 SER A 33 6.799 12.348 -8.543 1.00 0.00 H new ATOM 0 HG SER A 33 6.825 14.472 -9.491 1.00 0.00 H new ATOM 488 N LYS A 34 5.699 10.790 -5.793 1.00 0.00 N ATOM 489 CA LYS A 34 6.004 9.670 -4.933 1.00 0.00 C ATOM 490 C LYS A 34 6.078 8.377 -5.723 1.00 0.00 C ATOM 491 O LYS A 34 5.819 8.346 -6.926 1.00 0.00 O ATOM 492 CB LYS A 34 4.896 9.515 -3.900 1.00 0.00 C ATOM 493 CG LYS A 34 4.453 10.805 -3.252 1.00 0.00 C ATOM 494 CD LYS A 34 3.226 10.572 -2.391 1.00 0.00 C ATOM 495 CE LYS A 34 2.531 11.870 -2.039 1.00 0.00 C ATOM 496 NZ LYS A 34 2.017 12.574 -3.243 1.00 0.00 N ATOM 0 H LYS A 34 4.832 10.691 -6.322 1.00 0.00 H new ATOM 0 HA LYS A 34 6.967 9.863 -4.460 1.00 0.00 H new ATOM 0 HB2 LYS A 34 4.034 9.050 -4.379 1.00 0.00 H new ATOM 0 HB3 LYS A 34 5.236 8.831 -3.122 1.00 0.00 H new ATOM 0 HG2 LYS A 34 5.261 11.209 -2.642 1.00 0.00 H new ATOM 0 HG3 LYS A 34 4.231 11.547 -4.019 1.00 0.00 H new ATOM 0 HD2 LYS A 34 2.531 9.919 -2.918 1.00 0.00 H new ATOM 0 HD3 LYS A 34 3.517 10.056 -1.476 1.00 0.00 H new ATOM 0 HE2 LYS A 34 1.704 11.665 -1.359 1.00 0.00 H new ATOM 0 HE3 LYS A 34 3.226 12.521 -1.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 1.353 13.320 -2.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 2.811 13.000 -3.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 1.526 11.895 -3.859 1.00 0.00 H new ATOM 510 N LYS A 35 6.421 7.316 -5.019 1.00 0.00 N ATOM 511 CA LYS A 35 6.263 5.966 -5.516 1.00 0.00 C ATOM 512 C LYS A 35 5.362 5.223 -4.556 1.00 0.00 C ATOM 513 O LYS A 35 5.527 5.343 -3.340 1.00 0.00 O ATOM 514 CB LYS A 35 7.582 5.199 -5.569 1.00 0.00 C ATOM 515 CG LYS A 35 8.647 5.751 -6.491 1.00 0.00 C ATOM 516 CD LYS A 35 9.828 4.794 -6.500 1.00 0.00 C ATOM 517 CE LYS A 35 11.024 5.322 -7.263 1.00 0.00 C ATOM 518 NZ LYS A 35 12.143 4.343 -7.239 1.00 0.00 N ATOM 0 H LYS A 35 6.819 7.368 -4.081 1.00 0.00 H new ATOM 0 HA LYS A 35 5.859 6.031 -6.526 1.00 0.00 H new ATOM 0 HB2 LYS A 35 7.993 5.156 -4.560 1.00 0.00 H new ATOM 0 HB3 LYS A 35 7.368 4.173 -5.870 1.00 0.00 H new ATOM 0 HG2 LYS A 35 8.249 5.870 -7.499 1.00 0.00 H new ATOM 0 HG3 LYS A 35 8.963 6.738 -6.155 1.00 0.00 H new ATOM 0 HD2 LYS A 35 10.125 4.586 -5.472 1.00 0.00 H new ATOM 0 HD3 LYS A 35 9.515 3.847 -6.940 1.00 0.00 H new ATOM 0 HE2 LYS A 35 10.739 5.530 -8.294 1.00 0.00 H new ATOM 0 HE3 LYS A 35 11.351 6.265 -6.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 13.050 4.852 -7.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 12.072 3.755 -6.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 12.091 3.736 -8.082 1.00 0.00 H new ATOM 532 N VAL A 36 4.423 4.459 -5.069 1.00 0.00 N ATOM 533 CA VAL A 36 3.664 3.586 -4.209 1.00 0.00 C ATOM 534 C VAL A 36 3.697 2.186 -4.751 1.00 0.00 C ATOM 535 O VAL A 36 3.176 1.890 -5.827 1.00 0.00 O ATOM 536 CB VAL A 36 2.213 4.035 -3.973 1.00 0.00 C ATOM 537 CG1 VAL A 36 1.491 2.985 -3.162 1.00 0.00 C ATOM 538 CG2 VAL A 36 2.195 5.355 -3.235 1.00 0.00 C ATOM 0 H VAL A 36 4.172 4.425 -6.057 1.00 0.00 H new ATOM 0 HA VAL A 36 4.145 3.628 -3.232 1.00 0.00 H new ATOM 0 HB VAL A 36 1.713 4.161 -4.933 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.461 3.300 -2.993 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.496 2.039 -3.704 1.00 0.00 H new ATOM 0 HG13 VAL A 36 1.993 2.857 -2.203 1.00 0.00 H new ATOM 0 HG21 VAL A 36 1.163 5.666 -3.072 1.00 0.00 H new ATOM 0 HG22 VAL A 36 2.696 5.241 -2.274 1.00 0.00 H new ATOM 0 HG23 VAL A 36 2.712 6.110 -3.827 1.00 0.00 H new ATOM 548 N THR A 37 4.335 1.337 -3.996 1.00 0.00 N ATOM 549 CA THR A 37 4.556 -0.022 -4.404 1.00 0.00 C ATOM 550 C THR A 37 4.171 -0.977 -3.292 1.00 0.00 C ATOM 551 O THR A 37 4.468 -0.744 -2.124 1.00 0.00 O ATOM 552 CB THR A 37 6.021 -0.218 -4.817 1.00 0.00 C ATOM 553 OG1 THR A 37 6.878 0.614 -4.022 1.00 0.00 O ATOM 554 CG2 THR A 37 6.207 0.101 -6.290 1.00 0.00 C ATOM 0 H THR A 37 4.717 1.568 -3.079 1.00 0.00 H new ATOM 0 HA THR A 37 3.926 -0.239 -5.267 1.00 0.00 H new ATOM 0 HB THR A 37 6.288 -1.262 -4.650 1.00 0.00 H new ATOM 0 HG1 THR A 37 7.810 0.478 -4.294 1.00 0.00 H new ATOM 0 HG21 THR A 37 7.252 -0.044 -6.564 1.00 0.00 H new ATOM 0 HG22 THR A 37 5.580 -0.561 -6.888 1.00 0.00 H new ATOM 0 HG23 THR A 37 5.923 1.137 -6.477 1.00 0.00 H new ATOM 562 N VAL A 38 3.483 -2.033 -3.660 1.00 0.00 N ATOM 563 CA VAL A 38 3.048 -3.020 -2.691 1.00 0.00 C ATOM 564 C VAL A 38 4.062 -4.119 -2.609 1.00 0.00 C ATOM 565 O VAL A 38 4.486 -4.647 -3.628 1.00 0.00 O ATOM 566 CB VAL A 38 1.710 -3.699 -3.049 1.00 0.00 C ATOM 567 CG1 VAL A 38 1.405 -4.855 -2.118 1.00 0.00 C ATOM 568 CG2 VAL A 38 0.540 -2.775 -3.000 1.00 0.00 C ATOM 0 H VAL A 38 3.211 -2.233 -4.622 1.00 0.00 H new ATOM 0 HA VAL A 38 2.927 -2.474 -1.755 1.00 0.00 H new ATOM 0 HB VAL A 38 1.848 -4.045 -4.073 1.00 0.00 H new ATOM 0 HG11 VAL A 38 0.455 -5.309 -2.401 1.00 0.00 H new ATOM 0 HG12 VAL A 38 2.198 -5.599 -2.190 1.00 0.00 H new ATOM 0 HG13 VAL A 38 1.342 -4.490 -1.093 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -0.366 -3.321 -3.263 1.00 0.00 H new ATOM 0 HG22 VAL A 38 0.439 -2.368 -1.994 1.00 0.00 H new ATOM 0 HG23 VAL A 38 0.690 -1.960 -3.707 1.00 0.00 H new ATOM 578 N VAL A 39 4.418 -4.476 -1.410 1.00 0.00 N ATOM 579 CA VAL A 39 5.138 -5.713 -1.208 1.00 0.00 C ATOM 580 C VAL A 39 4.231 -6.630 -0.454 1.00 0.00 C ATOM 581 O VAL A 39 3.945 -6.429 0.728 1.00 0.00 O ATOM 582 CB VAL A 39 6.498 -5.583 -0.495 1.00 0.00 C ATOM 583 CG1 VAL A 39 7.559 -5.111 -1.470 1.00 0.00 C ATOM 584 CG2 VAL A 39 6.411 -4.639 0.687 1.00 0.00 C ATOM 0 H VAL A 39 4.228 -3.941 -0.563 1.00 0.00 H new ATOM 0 HA VAL A 39 5.403 -6.101 -2.192 1.00 0.00 H new ATOM 0 HB VAL A 39 6.776 -6.567 -0.118 1.00 0.00 H new ATOM 0 HG11 VAL A 39 8.515 -5.023 -0.953 1.00 0.00 H new ATOM 0 HG12 VAL A 39 7.651 -5.830 -2.284 1.00 0.00 H new ATOM 0 HG13 VAL A 39 7.275 -4.140 -1.875 1.00 0.00 H new ATOM 0 HG21 VAL A 39 7.386 -4.569 1.169 1.00 0.00 H new ATOM 0 HG22 VAL A 39 6.104 -3.651 0.342 1.00 0.00 H new ATOM 0 HG23 VAL A 39 5.680 -5.017 1.401 1.00 0.00 H new ATOM 594 N TYR A 40 3.696 -7.584 -1.168 1.00 0.00 N ATOM 595 CA TYR A 40 2.674 -8.394 -0.660 1.00 0.00 C ATOM 596 C TYR A 40 3.093 -9.852 -0.708 1.00 0.00 C ATOM 597 O TYR A 40 3.425 -10.394 -1.762 1.00 0.00 O ATOM 598 CB TYR A 40 1.451 -8.075 -1.495 1.00 0.00 C ATOM 599 CG TYR A 40 1.708 -8.080 -2.999 1.00 0.00 C ATOM 600 CD1 TYR A 40 2.547 -7.193 -3.663 1.00 0.00 C ATOM 601 CD2 TYR A 40 1.085 -9.002 -3.723 1.00 0.00 C ATOM 602 CE1 TYR A 40 2.728 -7.272 -5.029 1.00 0.00 C ATOM 603 CE2 TYR A 40 1.238 -9.119 -5.089 1.00 0.00 C ATOM 604 CZ TYR A 40 2.067 -8.241 -5.744 1.00 0.00 C ATOM 605 OH TYR A 40 2.246 -8.336 -7.107 1.00 0.00 O ATOM 0 H TYR A 40 3.974 -7.805 -2.124 1.00 0.00 H new ATOM 0 HA TYR A 40 2.453 -8.204 0.390 1.00 0.00 H new ATOM 0 HB2 TYR A 40 0.669 -8.800 -1.268 1.00 0.00 H new ATOM 0 HB3 TYR A 40 1.071 -7.095 -1.205 1.00 0.00 H new ATOM 0 HD1 TYR A 40 3.065 -6.430 -3.101 1.00 0.00 H new ATOM 0 HD2 TYR A 40 0.427 -9.694 -3.218 1.00 0.00 H new ATOM 0 HE1 TYR A 40 3.384 -6.577 -5.532 1.00 0.00 H new ATOM 0 HE2 TYR A 40 0.714 -9.889 -5.635 1.00 0.00 H new ATOM 0 HH TYR A 40 2.985 -7.753 -7.381 1.00 0.00 H new ATOM 615 N ALA A 41 3.108 -10.462 0.459 1.00 0.00 N ATOM 616 CA ALA A 41 3.689 -11.771 0.636 1.00 0.00 C ATOM 617 C ALA A 41 2.786 -12.854 0.102 1.00 0.00 C ATOM 618 O ALA A 41 1.617 -12.954 0.475 1.00 0.00 O ATOM 619 CB ALA A 41 4.013 -12.016 2.089 1.00 0.00 C ATOM 0 H ALA A 41 2.716 -10.061 1.311 1.00 0.00 H new ATOM 0 HA ALA A 41 4.616 -11.802 0.063 1.00 0.00 H new ATOM 0 HB1 ALA A 41 4.450 -13.008 2.202 1.00 0.00 H new ATOM 0 HB2 ALA A 41 4.723 -11.265 2.435 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.100 -11.952 2.681 1.00 0.00 H new ATOM 625 N ASP A 42 3.393 -13.688 -0.718 1.00 0.00 N ATOM 626 CA ASP A 42 2.695 -14.669 -1.542 1.00 0.00 C ATOM 627 C ASP A 42 2.048 -15.754 -0.686 1.00 0.00 C ATOM 628 O ASP A 42 2.186 -15.765 0.542 1.00 0.00 O ATOM 629 CB ASP A 42 3.700 -15.304 -2.513 1.00 0.00 C ATOM 630 CG ASP A 42 3.084 -15.749 -3.828 1.00 0.00 C ATOM 631 OD1 ASP A 42 2.195 -16.626 -3.819 1.00 0.00 O ATOM 632 OD2 ASP A 42 3.519 -15.246 -4.886 1.00 0.00 O ATOM 0 H ASP A 42 4.406 -13.708 -0.837 1.00 0.00 H new ATOM 0 HA ASP A 42 1.902 -14.163 -2.093 1.00 0.00 H new ATOM 0 HB2 ASP A 42 4.495 -14.587 -2.719 1.00 0.00 H new ATOM 0 HB3 ASP A 42 4.164 -16.164 -2.030 1.00 0.00 H new ATOM 637 N GLY A 43 1.385 -16.695 -1.351 1.00 0.00 N ATOM 638 CA GLY A 43 0.705 -17.779 -0.669 1.00 0.00 C ATOM 639 C GLY A 43 1.676 -18.729 -0.001 1.00 0.00 C ATOM 640 O GLY A 43 1.270 -19.705 0.630 1.00 0.00 O ATOM 0 H GLY A 43 1.307 -16.724 -2.368 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.028 -17.368 0.080 1.00 0.00 H new ATOM 0 HA3 GLY A 43 0.093 -18.330 -1.384 1.00 0.00 H new ATOM 644 N SER A 44 2.961 -18.436 -0.143 1.00 0.00 N ATOM 645 CA SER A 44 4.000 -19.186 0.525 1.00 0.00 C ATOM 646 C SER A 44 3.907 -18.979 2.032 1.00 0.00 C ATOM 647 O SER A 44 4.388 -19.801 2.818 1.00 0.00 O ATOM 648 CB SER A 44 5.365 -18.733 0.015 1.00 0.00 C ATOM 649 OG SER A 44 5.395 -18.720 -1.403 1.00 0.00 O ATOM 0 H SER A 44 3.306 -17.672 -0.725 1.00 0.00 H new ATOM 0 HA SER A 44 3.872 -20.247 0.311 1.00 0.00 H new ATOM 0 HB2 SER A 44 5.588 -17.737 0.397 1.00 0.00 H new ATOM 0 HB3 SER A 44 6.139 -19.400 0.393 1.00 0.00 H new ATOM 0 HG SER A 44 6.278 -18.425 -1.709 1.00 0.00 H new ATOM 655 N ASP A 45 3.277 -17.856 2.416 1.00 0.00 N ATOM 656 CA ASP A 45 3.038 -17.519 3.819 1.00 0.00 C ATOM 657 C ASP A 45 4.371 -17.302 4.508 1.00 0.00 C ATOM 658 O ASP A 45 4.570 -17.664 5.664 1.00 0.00 O ATOM 659 CB ASP A 45 2.223 -18.625 4.505 1.00 0.00 C ATOM 660 CG ASP A 45 1.622 -18.193 5.828 1.00 0.00 C ATOM 661 OD1 ASP A 45 0.975 -17.127 5.872 1.00 0.00 O ATOM 662 OD2 ASP A 45 1.771 -18.930 6.826 1.00 0.00 O ATOM 0 H ASP A 45 2.922 -17.161 1.759 1.00 0.00 H new ATOM 0 HA ASP A 45 2.456 -16.600 3.885 1.00 0.00 H new ATOM 0 HB2 ASP A 45 1.423 -18.945 3.837 1.00 0.00 H new ATOM 0 HB3 ASP A 45 2.865 -19.490 4.671 1.00 0.00 H new ATOM 667 N ASN A 46 5.277 -16.695 3.760 1.00 0.00 N ATOM 668 CA ASN A 46 6.665 -16.534 4.172 1.00 0.00 C ATOM 669 C ASN A 46 7.328 -15.668 3.129 1.00 0.00 C ATOM 670 O ASN A 46 7.036 -15.826 1.938 1.00 0.00 O ATOM 671 CB ASN A 46 7.351 -17.907 4.247 1.00 0.00 C ATOM 672 CG ASN A 46 8.776 -17.863 4.786 1.00 0.00 C ATOM 673 OD1 ASN A 46 9.509 -16.900 4.593 1.00 0.00 O ATOM 674 ND2 ASN A 46 9.178 -18.923 5.466 1.00 0.00 N ATOM 0 H ASN A 46 5.071 -16.297 2.844 1.00 0.00 H new ATOM 0 HA ASN A 46 6.736 -16.075 5.158 1.00 0.00 H new ATOM 0 HB2 ASN A 46 6.755 -18.565 4.880 1.00 0.00 H new ATOM 0 HB3 ASN A 46 7.364 -18.349 3.251 1.00 0.00 H new ATOM 0 HD21 ASN A 46 10.123 -18.956 5.848 1.00 0.00 H new ATOM 0 HD22 ASN A 46 8.543 -19.708 5.609 1.00 0.00 H new ATOM 681 N TRP A 47 8.192 -14.748 3.519 1.00 0.00 N ATOM 682 CA TRP A 47 8.702 -13.840 2.552 1.00 0.00 C ATOM 683 C TRP A 47 9.960 -14.355 1.878 1.00 0.00 C ATOM 684 O TRP A 47 11.088 -14.071 2.295 1.00 0.00 O ATOM 685 CB TRP A 47 8.892 -12.432 3.088 1.00 0.00 C ATOM 686 CG TRP A 47 8.409 -11.533 2.033 1.00 0.00 C ATOM 687 CD1 TRP A 47 8.836 -11.543 0.752 1.00 0.00 C ATOM 688 CD2 TRP A 47 7.358 -10.586 2.111 1.00 0.00 C ATOM 689 NE1 TRP A 47 8.109 -10.660 0.006 1.00 0.00 N ATOM 690 CE2 TRP A 47 7.197 -10.057 0.824 1.00 0.00 C ATOM 691 CE3 TRP A 47 6.534 -10.123 3.136 1.00 0.00 C ATOM 692 CZ2 TRP A 47 6.243 -9.114 0.540 1.00 0.00 C ATOM 693 CZ3 TRP A 47 5.595 -9.181 2.841 1.00 0.00 C ATOM 694 CH2 TRP A 47 5.454 -8.691 1.556 1.00 0.00 C ATOM 0 H TRP A 47 8.536 -14.624 4.471 1.00 0.00 H new ATOM 0 HA TRP A 47 7.929 -13.774 1.787 1.00 0.00 H new ATOM 0 HB2 TRP A 47 8.332 -12.287 4.012 1.00 0.00 H new ATOM 0 HB3 TRP A 47 9.940 -12.239 3.317 1.00 0.00 H new ATOM 0 HD1 TRP A 47 9.637 -12.160 0.372 1.00 0.00 H new ATOM 0 HE1 TRP A 47 8.227 -10.481 -0.991 1.00 0.00 H new ATOM 0 HE3 TRP A 47 6.638 -10.503 4.142 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 6.125 -8.722 -0.459 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 4.950 -8.811 3.624 1.00 0.00 H new ATOM 0 HH2 TRP A 47 4.694 -7.950 1.357 1.00 0.00 H new ATOM 705 N ASN A 48 9.734 -15.141 0.833 1.00 0.00 N ATOM 706 CA ASN A 48 10.771 -15.478 -0.124 1.00 0.00 C ATOM 707 C ASN A 48 11.337 -14.184 -0.694 1.00 0.00 C ATOM 708 O ASN A 48 10.570 -13.293 -1.071 1.00 0.00 O ATOM 709 CB ASN A 48 10.178 -16.338 -1.247 1.00 0.00 C ATOM 710 CG ASN A 48 11.156 -16.602 -2.374 1.00 0.00 C ATOM 711 OD1 ASN A 48 12.363 -16.723 -2.155 1.00 0.00 O ATOM 712 ND2 ASN A 48 10.644 -16.681 -3.594 1.00 0.00 N ATOM 0 H ASN A 48 8.827 -15.560 0.628 1.00 0.00 H new ATOM 0 HA ASN A 48 11.565 -16.045 0.362 1.00 0.00 H new ATOM 0 HB2 ASN A 48 9.847 -17.290 -0.831 1.00 0.00 H new ATOM 0 HB3 ASN A 48 9.295 -15.841 -1.649 1.00 0.00 H new ATOM 0 HD21 ASN A 48 11.255 -16.848 -4.394 1.00 0.00 H new ATOM 0 HD22 ASN A 48 9.639 -16.575 -3.733 1.00 0.00 H new ATOM 719 N ASN A 49 12.660 -14.064 -0.738 1.00 0.00 N ATOM 720 CA ASN A 49 13.292 -12.823 -1.180 1.00 0.00 C ATOM 721 C ASN A 49 13.137 -12.627 -2.687 1.00 0.00 C ATOM 722 O ASN A 49 14.088 -12.752 -3.460 1.00 0.00 O ATOM 723 CB ASN A 49 14.771 -12.777 -0.788 1.00 0.00 C ATOM 724 CG ASN A 49 15.377 -11.406 -1.035 1.00 0.00 C ATOM 725 OD1 ASN A 49 14.688 -10.387 -0.966 1.00 0.00 O ATOM 726 ND2 ASN A 49 16.667 -11.369 -1.327 1.00 0.00 N ATOM 0 H ASN A 49 13.312 -14.803 -0.476 1.00 0.00 H new ATOM 0 HA ASN A 49 12.780 -12.005 -0.673 1.00 0.00 H new ATOM 0 HB2 ASN A 49 14.876 -13.037 0.265 1.00 0.00 H new ATOM 0 HB3 ASN A 49 15.322 -13.526 -1.357 1.00 0.00 H new ATOM 0 HD21 ASN A 49 17.124 -10.475 -1.504 1.00 0.00 H new ATOM 0 HD22 ASN A 49 17.204 -12.235 -1.375 1.00 0.00 H new ATOM 733 N ASN A 50 11.909 -12.352 -3.084 1.00 0.00 N ATOM 734 CA ASN A 50 11.582 -11.994 -4.452 1.00 0.00 C ATOM 735 C ASN A 50 11.129 -10.541 -4.480 1.00 0.00 C ATOM 736 O ASN A 50 11.103 -9.892 -5.524 1.00 0.00 O ATOM 737 CB ASN A 50 10.460 -12.898 -4.974 1.00 0.00 C ATOM 738 CG ASN A 50 10.208 -12.731 -6.460 1.00 0.00 C ATOM 739 OD1 ASN A 50 11.132 -12.510 -7.239 1.00 0.00 O ATOM 740 ND2 ASN A 50 8.952 -12.833 -6.859 1.00 0.00 N ATOM 0 H ASN A 50 11.102 -12.371 -2.460 1.00 0.00 H new ATOM 0 HA ASN A 50 12.458 -12.122 -5.088 1.00 0.00 H new ATOM 0 HB2 ASN A 50 10.714 -13.938 -4.769 1.00 0.00 H new ATOM 0 HB3 ASN A 50 9.542 -12.680 -4.429 1.00 0.00 H new ATOM 0 HD21 ASN A 50 8.721 -12.727 -7.847 1.00 0.00 H new ATOM 0 HD22 ASN A 50 8.214 -13.017 -6.179 1.00 0.00 H new ATOM 747 N GLY A 51 10.771 -10.045 -3.300 1.00 0.00 N ATOM 748 CA GLY A 51 10.248 -8.703 -3.167 1.00 0.00 C ATOM 749 C GLY A 51 8.742 -8.704 -3.273 1.00 0.00 C ATOM 750 O GLY A 51 8.041 -8.313 -2.342 1.00 0.00 O ATOM 0 H GLY A 51 10.837 -10.560 -2.422 1.00 0.00 H new ATOM 0 HA2 GLY A 51 10.550 -8.283 -2.207 1.00 0.00 H new ATOM 0 HA3 GLY A 51 10.672 -8.064 -3.942 1.00 0.00 H new ATOM 754 N ASN A 52 8.268 -9.203 -4.405 1.00 0.00 N ATOM 755 CA ASN A 52 6.844 -9.288 -4.712 1.00 0.00 C ATOM 756 C ASN A 52 6.224 -7.905 -4.700 1.00 0.00 C ATOM 757 O ASN A 52 5.543 -7.526 -3.748 1.00 0.00 O ATOM 758 CB ASN A 52 6.118 -10.215 -3.727 1.00 0.00 C ATOM 759 CG ASN A 52 6.554 -11.663 -3.857 1.00 0.00 C ATOM 760 OD1 ASN A 52 6.905 -12.129 -4.942 1.00 0.00 O ATOM 761 ND2 ASN A 52 6.543 -12.387 -2.747 1.00 0.00 N ATOM 0 H ASN A 52 8.867 -9.565 -5.147 1.00 0.00 H new ATOM 0 HA ASN A 52 6.735 -9.714 -5.710 1.00 0.00 H new ATOM 0 HB2 ASN A 52 6.304 -9.874 -2.709 1.00 0.00 H new ATOM 0 HB3 ASN A 52 5.043 -10.147 -3.895 1.00 0.00 H new ATOM 0 HD21 ASN A 52 6.832 -13.365 -2.773 1.00 0.00 H new ATOM 0 HD22 ASN A 52 6.246 -11.966 -1.867 1.00 0.00 H new ATOM 768 N ILE A 53 6.473 -7.147 -5.758 1.00 0.00 N ATOM 769 CA ILE A 53 6.002 -5.779 -5.824 1.00 0.00 C ATOM 770 C ILE A 53 4.874 -5.611 -6.833 1.00 0.00 C ATOM 771 O ILE A 53 4.780 -6.333 -7.831 1.00 0.00 O ATOM 772 CB ILE A 53 7.140 -4.795 -6.181 1.00 0.00 C ATOM 773 CG1 ILE A 53 6.781 -3.382 -5.738 1.00 0.00 C ATOM 774 CG2 ILE A 53 7.439 -4.806 -7.671 1.00 0.00 C ATOM 775 CD1 ILE A 53 6.967 -3.167 -4.258 1.00 0.00 C ATOM 0 H ILE A 53 6.996 -7.458 -6.577 1.00 0.00 H new ATOM 0 HA ILE A 53 5.626 -5.547 -4.828 1.00 0.00 H new ATOM 0 HB ILE A 53 8.035 -5.123 -5.651 1.00 0.00 H new ATOM 0 HG12 ILE A 53 7.397 -2.668 -6.284 1.00 0.00 H new ATOM 0 HG13 ILE A 53 5.744 -3.176 -6.003 1.00 0.00 H new ATOM 0 HG21 ILE A 53 8.244 -4.103 -7.886 1.00 0.00 H new ATOM 0 HG22 ILE A 53 7.742 -5.808 -7.974 1.00 0.00 H new ATOM 0 HG23 ILE A 53 6.546 -4.515 -8.224 1.00 0.00 H new ATOM 0 HD11 ILE A 53 6.696 -2.143 -4.002 1.00 0.00 H new ATOM 0 HD12 ILE A 53 6.331 -3.859 -3.707 1.00 0.00 H new ATOM 0 HD13 ILE A 53 8.010 -3.343 -3.993 1.00 0.00 H new ATOM 787 N ILE A 54 4.004 -4.674 -6.527 1.00 0.00 N ATOM 788 CA ILE A 54 3.017 -4.193 -7.474 1.00 0.00 C ATOM 789 C ILE A 54 3.034 -2.671 -7.428 1.00 0.00 C ATOM 790 O ILE A 54 3.206 -2.086 -6.358 1.00 0.00 O ATOM 791 CB ILE A 54 1.587 -4.731 -7.172 1.00 0.00 C ATOM 792 CG1 ILE A 54 0.782 -4.875 -8.459 1.00 0.00 C ATOM 793 CG2 ILE A 54 0.834 -3.839 -6.204 1.00 0.00 C ATOM 794 CD1 ILE A 54 1.151 -6.105 -9.251 1.00 0.00 C ATOM 0 H ILE A 54 3.959 -4.222 -5.614 1.00 0.00 H new ATOM 0 HA ILE A 54 3.274 -4.558 -8.468 1.00 0.00 H new ATOM 0 HB ILE A 54 1.711 -5.709 -6.706 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -0.280 -4.912 -8.215 1.00 0.00 H new ATOM 0 HG13 ILE A 54 0.936 -3.991 -9.078 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.158 -4.254 -6.023 1.00 0.00 H new ATOM 0 HG22 ILE A 54 1.380 -3.781 -5.263 1.00 0.00 H new ATOM 0 HG23 ILE A 54 0.737 -2.840 -6.630 1.00 0.00 H new ATOM 0 HD11 ILE A 54 0.544 -6.151 -10.155 1.00 0.00 H new ATOM 0 HD12 ILE A 54 2.205 -6.059 -9.524 1.00 0.00 H new ATOM 0 HD13 ILE A 54 0.971 -6.994 -8.647 1.00 0.00 H new ATOM 806 N ALA A 55 2.914 -2.019 -8.569 1.00 0.00 N ATOM 807 CA ALA A 55 2.912 -0.570 -8.577 1.00 0.00 C ATOM 808 C ALA A 55 1.489 -0.045 -8.502 1.00 0.00 C ATOM 809 O ALA A 55 0.674 -0.299 -9.392 1.00 0.00 O ATOM 810 CB ALA A 55 3.626 -0.014 -9.797 1.00 0.00 C ATOM 0 H ALA A 55 2.819 -2.459 -9.484 1.00 0.00 H new ATOM 0 HA ALA A 55 3.459 -0.231 -7.697 1.00 0.00 H new ATOM 0 HB1 ALA A 55 3.603 1.075 -9.767 1.00 0.00 H new ATOM 0 HB2 ALA A 55 4.661 -0.355 -9.800 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.127 -0.362 -10.701 1.00 0.00 H new ATOM 816 N ALA A 56 1.193 0.656 -7.422 1.00 0.00 N ATOM 817 CA ALA A 56 -0.124 1.233 -7.213 1.00 0.00 C ATOM 818 C ALA A 56 -0.355 2.384 -8.185 1.00 0.00 C ATOM 819 O ALA A 56 0.600 2.995 -8.666 1.00 0.00 O ATOM 820 CB ALA A 56 -0.258 1.702 -5.774 1.00 0.00 C ATOM 0 H ALA A 56 1.855 0.841 -6.668 1.00 0.00 H new ATOM 0 HA ALA A 56 -0.883 0.474 -7.401 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -1.247 2.134 -5.623 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.125 0.855 -5.101 1.00 0.00 H new ATOM 0 HB3 ALA A 56 0.502 2.454 -5.564 1.00 0.00 H new ATOM 826 N SER A 57 -1.612 2.688 -8.462 1.00 0.00 N ATOM 827 CA SER A 57 -1.946 3.673 -9.463 1.00 0.00 C ATOM 828 C SER A 57 -2.623 4.861 -8.804 1.00 0.00 C ATOM 829 O SER A 57 -3.355 4.714 -7.825 1.00 0.00 O ATOM 830 CB SER A 57 -2.861 3.054 -10.523 1.00 0.00 C ATOM 831 OG SER A 57 -2.977 3.900 -11.659 1.00 0.00 O ATOM 0 H SER A 57 -2.417 2.262 -8.003 1.00 0.00 H new ATOM 0 HA SER A 57 -1.034 4.014 -9.952 1.00 0.00 H new ATOM 0 HB2 SER A 57 -2.466 2.085 -10.827 1.00 0.00 H new ATOM 0 HB3 SER A 57 -3.848 2.876 -10.096 1.00 0.00 H new ATOM 0 HG SER A 57 -3.565 3.480 -12.321 1.00 0.00 H new ATOM 837 N PHE A 58 -2.352 6.036 -9.331 1.00 0.00 N ATOM 838 CA PHE A 58 -2.943 7.252 -8.823 1.00 0.00 C ATOM 839 C PHE A 58 -4.418 7.308 -9.177 1.00 0.00 C ATOM 840 O PHE A 58 -4.825 6.899 -10.265 1.00 0.00 O ATOM 841 CB PHE A 58 -2.274 8.500 -9.406 1.00 0.00 C ATOM 842 CG PHE A 58 -0.772 8.525 -9.339 1.00 0.00 C ATOM 843 CD1 PHE A 58 -0.011 7.813 -10.251 1.00 0.00 C ATOM 844 CD2 PHE A 58 -0.124 9.283 -8.378 1.00 0.00 C ATOM 845 CE1 PHE A 58 1.367 7.849 -10.201 1.00 0.00 C ATOM 846 CE2 PHE A 58 1.255 9.326 -8.328 1.00 0.00 C ATOM 847 CZ PHE A 58 2.002 8.608 -9.240 1.00 0.00 C ATOM 0 H PHE A 58 -1.719 6.173 -10.119 1.00 0.00 H new ATOM 0 HA PHE A 58 -2.802 7.241 -7.742 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -2.575 8.597 -10.449 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -2.658 9.375 -8.881 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -0.502 7.223 -11.010 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -0.703 9.846 -7.661 1.00 0.00 H new ATOM 0 HE1 PHE A 58 1.948 7.283 -10.914 1.00 0.00 H new ATOM 0 HE2 PHE A 58 1.750 9.922 -7.575 1.00 0.00 H new ATOM 0 HZ PHE A 58 3.081 8.640 -9.201 1.00 0.00 H new ATOM 857 N SER A 59 -5.209 7.815 -8.257 1.00 0.00 N ATOM 858 CA SER A 59 -6.610 8.084 -8.516 1.00 0.00 C ATOM 859 C SER A 59 -6.796 9.592 -8.577 1.00 0.00 C ATOM 860 O SER A 59 -7.488 10.121 -9.449 1.00 0.00 O ATOM 861 CB SER A 59 -7.494 7.460 -7.429 1.00 0.00 C ATOM 862 OG SER A 59 -8.871 7.651 -7.703 1.00 0.00 O ATOM 0 H SER A 59 -4.903 8.052 -7.313 1.00 0.00 H new ATOM 0 HA SER A 59 -6.909 7.637 -9.464 1.00 0.00 H new ATOM 0 HB2 SER A 59 -7.282 6.393 -7.355 1.00 0.00 H new ATOM 0 HB3 SER A 59 -7.250 7.902 -6.463 1.00 0.00 H new ATOM 0 HG SER A 59 -9.406 7.240 -6.992 1.00 0.00 H new ATOM 868 N GLY A 60 -6.143 10.282 -7.651 1.00 0.00 N ATOM 869 CA GLY A 60 -6.114 11.726 -7.679 1.00 0.00 C ATOM 870 C GLY A 60 -5.882 12.303 -6.304 1.00 0.00 C ATOM 871 O GLY A 60 -5.858 11.561 -5.325 1.00 0.00 O ATOM 0 H GLY A 60 -5.630 9.861 -6.877 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -5.326 12.062 -8.353 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -7.056 12.102 -8.078 1.00 0.00 H new ATOM 875 N PRO A 61 -5.665 13.615 -6.198 1.00 0.00 N ATOM 876 CA PRO A 61 -5.578 14.292 -4.907 1.00 0.00 C ATOM 877 C PRO A 61 -6.946 14.362 -4.245 1.00 0.00 C ATOM 878 O PRO A 61 -7.965 14.541 -4.921 1.00 0.00 O ATOM 879 CB PRO A 61 -5.074 15.700 -5.256 1.00 0.00 C ATOM 880 CG PRO A 61 -4.646 15.632 -6.686 1.00 0.00 C ATOM 881 CD PRO A 61 -5.466 14.544 -7.313 1.00 0.00 C ATOM 0 HA PRO A 61 -4.924 13.774 -4.206 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -5.859 16.443 -5.117 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -4.244 15.990 -4.612 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -4.813 16.585 -7.189 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -3.581 15.412 -6.764 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -6.412 14.921 -7.701 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -4.945 14.072 -8.146 1.00 0.00 H new ATOM 889 N ILE A 62 -6.982 14.212 -2.932 1.00 0.00 N ATOM 890 CA ILE A 62 -8.240 14.239 -2.212 1.00 0.00 C ATOM 891 C ILE A 62 -8.636 15.683 -1.931 1.00 0.00 C ATOM 892 O ILE A 62 -8.364 16.222 -0.857 1.00 0.00 O ATOM 893 CB ILE A 62 -8.166 13.447 -0.891 1.00 0.00 C ATOM 894 CG1 ILE A 62 -7.441 12.121 -1.107 1.00 0.00 C ATOM 895 CG2 ILE A 62 -9.563 13.184 -0.364 1.00 0.00 C ATOM 896 CD1 ILE A 62 -7.376 11.260 0.127 1.00 0.00 C ATOM 0 H ILE A 62 -6.158 14.071 -2.347 1.00 0.00 H new ATOM 0 HA ILE A 62 -8.994 13.761 -2.838 1.00 0.00 H new ATOM 0 HB ILE A 62 -7.612 14.039 -0.162 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -7.943 11.567 -1.900 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -6.427 12.323 -1.452 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -9.500 12.624 0.569 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -10.069 14.133 -0.185 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -10.126 12.606 -1.097 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -6.847 10.335 -0.102 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -6.847 11.794 0.916 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -8.387 11.027 0.461 1.00 0.00 H new ATOM 908 N SER A 63 -9.268 16.297 -2.924 1.00 0.00 N ATOM 909 CA SER A 63 -9.632 17.706 -2.878 1.00 0.00 C ATOM 910 C SER A 63 -10.433 18.033 -1.621 1.00 0.00 C ATOM 911 O SER A 63 -11.447 17.395 -1.325 1.00 0.00 O ATOM 912 CB SER A 63 -10.423 18.068 -4.133 1.00 0.00 C ATOM 913 OG SER A 63 -9.687 17.735 -5.303 1.00 0.00 O ATOM 0 H SER A 63 -9.543 15.829 -3.787 1.00 0.00 H new ATOM 0 HA SER A 63 -8.719 18.301 -2.844 1.00 0.00 H new ATOM 0 HB2 SER A 63 -11.376 17.539 -4.134 1.00 0.00 H new ATOM 0 HB3 SER A 63 -10.650 19.134 -4.131 1.00 0.00 H new ATOM 0 HG SER A 63 -10.210 17.972 -6.097 1.00 0.00 H new ATOM 919 N GLY A 64 -9.960 19.028 -0.888 1.00 0.00 N ATOM 920 CA GLY A 64 -10.542 19.358 0.393 1.00 0.00 C ATOM 921 C GLY A 64 -9.576 19.079 1.522 1.00 0.00 C ATOM 922 O GLY A 64 -9.562 19.784 2.532 1.00 0.00 O ATOM 0 H GLY A 64 -9.175 19.618 -1.162 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -10.826 20.410 0.406 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -11.454 18.780 0.540 1.00 0.00 H new ATOM 926 N SER A 65 -8.751 18.061 1.341 1.00 0.00 N ATOM 927 CA SER A 65 -7.763 17.685 2.336 1.00 0.00 C ATOM 928 C SER A 65 -6.382 17.604 1.693 1.00 0.00 C ATOM 929 O SER A 65 -6.257 17.578 0.469 1.00 0.00 O ATOM 930 CB SER A 65 -8.133 16.337 2.956 1.00 0.00 C ATOM 931 OG SER A 65 -9.473 16.340 3.424 1.00 0.00 O ATOM 0 H SER A 65 -8.747 17.476 0.506 1.00 0.00 H new ATOM 0 HA SER A 65 -7.744 18.441 3.121 1.00 0.00 H new ATOM 0 HB2 SER A 65 -8.004 15.546 2.217 1.00 0.00 H new ATOM 0 HB3 SER A 65 -7.457 16.115 3.782 1.00 0.00 H new ATOM 0 HG SER A 65 -9.685 15.466 3.814 1.00 0.00 H new ATOM 937 N ASN A 66 -5.349 17.555 2.517 1.00 0.00 N ATOM 938 CA ASN A 66 -3.982 17.503 2.011 1.00 0.00 C ATOM 939 C ASN A 66 -3.486 16.068 1.938 1.00 0.00 C ATOM 940 O ASN A 66 -2.456 15.721 2.514 1.00 0.00 O ATOM 941 CB ASN A 66 -3.042 18.347 2.876 1.00 0.00 C ATOM 942 CG ASN A 66 -3.334 19.828 2.769 1.00 0.00 C ATOM 943 OD1 ASN A 66 -3.829 20.305 1.746 1.00 0.00 O ATOM 944 ND2 ASN A 66 -3.022 20.571 3.816 1.00 0.00 N ATOM 0 H ASN A 66 -5.427 17.550 3.534 1.00 0.00 H new ATOM 0 HA ASN A 66 -3.986 17.919 1.004 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -3.133 18.036 3.917 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -2.011 18.160 2.576 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -3.189 21.577 3.796 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -2.614 20.139 4.645 1.00 0.00 H new ATOM 951 N TYR A 67 -4.241 15.237 1.239 1.00 0.00 N ATOM 952 CA TYR A 67 -3.864 13.851 1.024 1.00 0.00 C ATOM 953 C TYR A 67 -4.125 13.453 -0.407 1.00 0.00 C ATOM 954 O TYR A 67 -4.918 14.080 -1.111 1.00 0.00 O ATOM 955 CB TYR A 67 -4.627 12.903 1.954 1.00 0.00 C ATOM 956 CG TYR A 67 -3.830 12.463 3.157 1.00 0.00 C ATOM 957 CD1 TYR A 67 -3.504 13.362 4.144 1.00 0.00 C ATOM 958 CD2 TYR A 67 -3.407 11.152 3.300 1.00 0.00 C ATOM 959 CE1 TYR A 67 -2.775 12.981 5.250 1.00 0.00 C ATOM 960 CE2 TYR A 67 -2.677 10.754 4.402 1.00 0.00 C ATOM 961 CZ TYR A 67 -2.363 11.675 5.373 1.00 0.00 C ATOM 962 OH TYR A 67 -1.637 11.291 6.471 1.00 0.00 O ATOM 0 H TYR A 67 -5.126 15.502 0.807 1.00 0.00 H new ATOM 0 HA TYR A 67 -2.800 13.769 1.245 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -5.538 13.396 2.293 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -4.933 12.022 1.389 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -3.826 14.389 4.051 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -3.652 10.429 2.536 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -2.529 13.703 6.015 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -2.355 9.728 4.500 1.00 0.00 H new ATOM 0 HH TYR A 67 -2.011 11.711 7.274 1.00 0.00 H new ATOM 972 N GLU A 68 -3.452 12.406 -0.818 1.00 0.00 N ATOM 973 CA GLU A 68 -3.635 11.844 -2.147 1.00 0.00 C ATOM 974 C GLU A 68 -4.392 10.523 -2.053 1.00 0.00 C ATOM 975 O GLU A 68 -4.596 9.996 -0.954 1.00 0.00 O ATOM 976 CB GLU A 68 -2.290 11.651 -2.858 1.00 0.00 C ATOM 977 CG GLU A 68 -1.740 12.902 -3.519 1.00 0.00 C ATOM 978 CD GLU A 68 -1.214 13.922 -2.530 1.00 0.00 C ATOM 979 OE1 GLU A 68 -0.034 13.807 -2.136 1.00 0.00 O ATOM 980 OE2 GLU A 68 -1.957 14.850 -2.172 1.00 0.00 O ATOM 0 H GLU A 68 -2.763 11.916 -0.248 1.00 0.00 H new ATOM 0 HA GLU A 68 -4.222 12.545 -2.740 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -1.560 11.287 -2.135 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -2.402 10.875 -3.615 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -0.938 12.621 -4.201 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -2.524 13.361 -4.121 1.00 0.00 H new ATOM 987 N TYR A 69 -4.748 9.958 -3.201 1.00 0.00 N ATOM 988 CA TYR A 69 -5.712 8.882 -3.253 1.00 0.00 C ATOM 989 C TYR A 69 -5.280 7.923 -4.330 1.00 0.00 C ATOM 990 O TYR A 69 -5.111 8.300 -5.493 1.00 0.00 O ATOM 991 CB TYR A 69 -7.117 9.412 -3.538 1.00 0.00 C ATOM 992 CG TYR A 69 -8.210 8.457 -3.123 1.00 0.00 C ATOM 993 CD1 TYR A 69 -8.112 7.765 -1.928 1.00 0.00 C ATOM 994 CD2 TYR A 69 -9.340 8.265 -3.905 1.00 0.00 C ATOM 995 CE1 TYR A 69 -9.105 6.902 -1.519 1.00 0.00 C ATOM 996 CE2 TYR A 69 -10.342 7.398 -3.506 1.00 0.00 C ATOM 997 CZ TYR A 69 -10.219 6.719 -2.310 1.00 0.00 C ATOM 998 OH TYR A 69 -11.215 5.859 -1.905 1.00 0.00 O ATOM 0 H TYR A 69 -4.377 10.234 -4.110 1.00 0.00 H new ATOM 0 HA TYR A 69 -5.751 8.376 -2.288 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -7.254 10.359 -3.016 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -7.210 9.619 -4.604 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -7.241 7.904 -1.305 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -9.439 8.800 -4.838 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -9.011 6.371 -0.583 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -11.214 7.253 -4.126 1.00 0.00 H new ATOM 0 HH TYR A 69 -11.929 5.846 -2.576 1.00 0.00 H new ATOM 1008 N TRP A 70 -5.058 6.700 -3.929 1.00 0.00 N ATOM 1009 CA TRP A 70 -4.385 5.746 -4.762 1.00 0.00 C ATOM 1010 C TRP A 70 -5.206 4.485 -4.866 1.00 0.00 C ATOM 1011 O TRP A 70 -5.758 4.042 -3.878 1.00 0.00 O ATOM 1012 CB TRP A 70 -3.037 5.441 -4.131 1.00 0.00 C ATOM 1013 CG TRP A 70 -2.205 6.665 -3.867 1.00 0.00 C ATOM 1014 CD1 TRP A 70 -2.447 7.673 -3.004 1.00 0.00 C ATOM 1015 CD2 TRP A 70 -0.975 6.974 -4.467 1.00 0.00 C ATOM 1016 NE1 TRP A 70 -1.426 8.587 -3.069 1.00 0.00 N ATOM 1017 CE2 TRP A 70 -0.510 8.169 -3.950 1.00 0.00 C ATOM 1018 CE3 TRP A 70 -0.251 6.333 -5.385 1.00 0.00 C ATOM 1019 CZ2 TRP A 70 0.690 8.740 -4.342 1.00 0.00 C ATOM 1020 CZ3 TRP A 70 0.949 6.857 -5.803 1.00 0.00 C ATOM 1021 CH2 TRP A 70 1.417 8.063 -5.268 1.00 0.00 C ATOM 0 H TRP A 70 -5.339 6.340 -3.017 1.00 0.00 H new ATOM 0 HA TRP A 70 -4.248 6.148 -5.766 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -3.196 4.911 -3.192 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -2.482 4.769 -4.786 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -3.311 7.749 -2.361 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -1.373 9.451 -2.529 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -0.607 5.402 -5.800 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 1.031 9.679 -3.931 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 1.533 6.336 -6.547 1.00 0.00 H new ATOM 0 HH2 TRP A 70 2.367 8.459 -5.595 1.00 0.00 H new ATOM 1032 N THR A 71 -5.283 3.914 -6.048 1.00 0.00 N ATOM 1033 CA THR A 71 -6.034 2.693 -6.255 1.00 0.00 C ATOM 1034 C THR A 71 -5.136 1.636 -6.863 1.00 0.00 C ATOM 1035 O THR A 71 -4.386 1.918 -7.801 1.00 0.00 O ATOM 1036 CB THR A 71 -7.250 2.936 -7.170 1.00 0.00 C ATOM 1037 OG1 THR A 71 -6.880 3.782 -8.268 1.00 0.00 O ATOM 1038 CG2 THR A 71 -8.393 3.564 -6.390 1.00 0.00 C ATOM 0 H THR A 71 -4.831 4.278 -6.887 1.00 0.00 H new ATOM 0 HA THR A 71 -6.400 2.349 -5.288 1.00 0.00 H new ATOM 0 HB THR A 71 -7.585 1.974 -7.559 1.00 0.00 H new ATOM 0 HG1 THR A 71 -7.659 3.929 -8.844 1.00 0.00 H new ATOM 0 HG21 THR A 71 -9.241 3.727 -7.055 1.00 0.00 H new ATOM 0 HG22 THR A 71 -8.690 2.898 -5.580 1.00 0.00 H new ATOM 0 HG23 THR A 71 -8.069 4.518 -5.975 1.00 0.00 H new ATOM 1046 N PHE A 72 -5.172 0.428 -6.332 1.00 0.00 N ATOM 1047 CA PHE A 72 -4.314 -0.602 -6.849 1.00 0.00 C ATOM 1048 C PHE A 72 -5.104 -1.840 -7.241 1.00 0.00 C ATOM 1049 O PHE A 72 -6.026 -2.261 -6.539 1.00 0.00 O ATOM 1050 CB PHE A 72 -3.195 -0.949 -5.854 1.00 0.00 C ATOM 1051 CG PHE A 72 -3.669 -1.447 -4.513 1.00 0.00 C ATOM 1052 CD1 PHE A 72 -4.025 -2.771 -4.345 1.00 0.00 C ATOM 1053 CD2 PHE A 72 -3.736 -0.599 -3.423 1.00 0.00 C ATOM 1054 CE1 PHE A 72 -4.444 -3.245 -3.118 1.00 0.00 C ATOM 1055 CE2 PHE A 72 -4.158 -1.064 -2.192 1.00 0.00 C ATOM 1056 CZ PHE A 72 -4.511 -2.390 -2.039 1.00 0.00 C ATOM 0 H PHE A 72 -5.775 0.147 -5.559 1.00 0.00 H new ATOM 0 HA PHE A 72 -3.845 -0.212 -7.752 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -2.554 -1.709 -6.301 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -2.579 -0.063 -5.699 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -3.975 -3.446 -5.187 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -3.456 0.438 -3.535 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -4.719 -4.283 -3.004 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -4.212 -0.390 -1.350 1.00 0.00 H new ATOM 0 HZ PHE A 72 -4.839 -2.756 -1.077 1.00 0.00 H new ATOM 1066 N SER A 73 -4.759 -2.397 -8.384 1.00 0.00 N ATOM 1067 CA SER A 73 -5.325 -3.653 -8.823 1.00 0.00 C ATOM 1068 C SER A 73 -4.205 -4.624 -9.132 1.00 0.00 C ATOM 1069 O SER A 73 -3.181 -4.238 -9.702 1.00 0.00 O ATOM 1070 CB SER A 73 -6.207 -3.453 -10.051 1.00 0.00 C ATOM 1071 OG SER A 73 -5.512 -2.754 -11.072 1.00 0.00 O ATOM 0 H SER A 73 -4.082 -1.993 -9.031 1.00 0.00 H new ATOM 0 HA SER A 73 -5.949 -4.058 -8.026 1.00 0.00 H new ATOM 0 HB2 SER A 73 -6.535 -4.422 -10.428 1.00 0.00 H new ATOM 0 HB3 SER A 73 -7.103 -2.899 -9.772 1.00 0.00 H new ATOM 0 HG SER A 73 -6.099 -2.640 -11.849 1.00 0.00 H new ATOM 1077 N ALA A 74 -4.392 -5.869 -8.749 1.00 0.00 N ATOM 1078 CA ALA A 74 -3.359 -6.871 -8.907 1.00 0.00 C ATOM 1079 C ALA A 74 -3.968 -8.258 -9.035 1.00 0.00 C ATOM 1080 O ALA A 74 -4.671 -8.721 -8.138 1.00 0.00 O ATOM 1081 CB ALA A 74 -2.414 -6.820 -7.716 1.00 0.00 C ATOM 0 H ALA A 74 -5.253 -6.213 -8.324 1.00 0.00 H new ATOM 0 HA ALA A 74 -2.802 -6.660 -9.820 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -1.637 -7.575 -7.836 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -1.955 -5.833 -7.657 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -2.972 -7.016 -6.800 1.00 0.00 H new ATOM 1087 N SER A 75 -3.730 -8.911 -10.155 1.00 0.00 N ATOM 1088 CA SER A 75 -4.111 -10.301 -10.290 1.00 0.00 C ATOM 1089 C SER A 75 -3.022 -11.153 -9.654 1.00 0.00 C ATOM 1090 O SER A 75 -1.975 -11.400 -10.252 1.00 0.00 O ATOM 1091 CB SER A 75 -4.312 -10.666 -11.763 1.00 0.00 C ATOM 1092 OG SER A 75 -4.870 -11.966 -11.904 1.00 0.00 O ATOM 0 H SER A 75 -3.280 -8.506 -10.976 1.00 0.00 H new ATOM 0 HA SER A 75 -5.060 -10.482 -9.785 1.00 0.00 H new ATOM 0 HB2 SER A 75 -4.968 -9.934 -12.235 1.00 0.00 H new ATOM 0 HB3 SER A 75 -3.356 -10.620 -12.284 1.00 0.00 H new ATOM 0 HG SER A 75 -4.988 -12.170 -12.855 1.00 0.00 H new ATOM 1098 N VAL A 76 -3.275 -11.579 -8.430 1.00 0.00 N ATOM 1099 CA VAL A 76 -2.275 -12.273 -7.643 1.00 0.00 C ATOM 1100 C VAL A 76 -2.507 -13.777 -7.698 1.00 0.00 C ATOM 1101 O VAL A 76 -3.649 -14.238 -7.743 1.00 0.00 O ATOM 1102 CB VAL A 76 -2.302 -11.790 -6.172 1.00 0.00 C ATOM 1103 CG1 VAL A 76 -2.178 -10.278 -6.112 1.00 0.00 C ATOM 1104 CG2 VAL A 76 -3.575 -12.229 -5.478 1.00 0.00 C ATOM 0 H VAL A 76 -4.171 -11.455 -7.958 1.00 0.00 H new ATOM 0 HA VAL A 76 -1.296 -12.049 -8.066 1.00 0.00 H new ATOM 0 HB VAL A 76 -1.455 -12.241 -5.655 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -2.198 -9.952 -5.072 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -1.237 -9.972 -6.570 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -3.009 -9.823 -6.651 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -3.567 -11.876 -4.447 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -4.436 -11.810 -5.998 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -3.639 -13.317 -5.489 1.00 0.00 H new ATOM 1114 N LYS A 77 -1.429 -14.541 -7.698 1.00 0.00 N ATOM 1115 CA LYS A 77 -1.536 -15.993 -7.731 1.00 0.00 C ATOM 1116 C LYS A 77 -1.448 -16.569 -6.321 1.00 0.00 C ATOM 1117 O LYS A 77 -1.370 -17.783 -6.130 1.00 0.00 O ATOM 1118 CB LYS A 77 -0.477 -16.616 -8.664 1.00 0.00 C ATOM 1119 CG LYS A 77 0.930 -16.031 -8.549 1.00 0.00 C ATOM 1120 CD LYS A 77 1.614 -16.400 -7.240 1.00 0.00 C ATOM 1121 CE LYS A 77 1.738 -17.907 -7.075 1.00 0.00 C ATOM 1122 NZ LYS A 77 2.488 -18.275 -5.847 1.00 0.00 N ATOM 0 H LYS A 77 -0.473 -14.185 -7.676 1.00 0.00 H new ATOM 0 HA LYS A 77 -2.513 -16.251 -8.140 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -0.424 -17.686 -8.461 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -0.815 -16.503 -9.694 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.536 -16.385 -9.383 1.00 0.00 H new ATOM 0 HG3 LYS A 77 0.876 -14.946 -8.633 1.00 0.00 H new ATOM 0 HD2 LYS A 77 2.605 -15.948 -7.207 1.00 0.00 H new ATOM 0 HD3 LYS A 77 1.048 -15.988 -6.405 1.00 0.00 H new ATOM 0 HE2 LYS A 77 0.743 -18.350 -7.038 1.00 0.00 H new ATOM 0 HE3 LYS A 77 2.241 -18.326 -7.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 2.476 -19.308 -5.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 3.472 -17.947 -5.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 2.042 -17.827 -5.021 1.00 0.00 H new ATOM 1136 N GLY A 78 -1.470 -15.681 -5.341 1.00 0.00 N ATOM 1137 CA GLY A 78 -1.419 -16.089 -3.955 1.00 0.00 C ATOM 1138 C GLY A 78 -0.900 -14.982 -3.067 1.00 0.00 C ATOM 1139 O GLY A 78 -0.058 -14.191 -3.492 1.00 0.00 O ATOM 0 H GLY A 78 -1.523 -14.672 -5.484 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -2.415 -16.384 -3.625 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -0.778 -16.965 -3.857 1.00 0.00 H new ATOM 1143 N ILE A 79 -1.414 -14.908 -1.848 1.00 0.00 N ATOM 1144 CA ILE A 79 -0.957 -13.917 -0.884 1.00 0.00 C ATOM 1145 C ILE A 79 -1.487 -14.229 0.506 1.00 0.00 C ATOM 1146 O ILE A 79 -2.614 -14.694 0.671 1.00 0.00 O ATOM 1147 CB ILE A 79 -1.340 -12.474 -1.297 1.00 0.00 C ATOM 1148 CG1 ILE A 79 -0.892 -11.462 -0.241 1.00 0.00 C ATOM 1149 CG2 ILE A 79 -2.831 -12.341 -1.564 1.00 0.00 C ATOM 1150 CD1 ILE A 79 -1.275 -10.037 -0.565 1.00 0.00 C ATOM 0 H ILE A 79 -2.150 -15.524 -1.502 1.00 0.00 H new ATOM 0 HA ILE A 79 0.131 -13.972 -0.867 1.00 0.00 H new ATOM 0 HB ILE A 79 -0.815 -12.257 -2.227 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -1.327 -11.736 0.720 1.00 0.00 H new ATOM 0 HG13 ILE A 79 0.191 -11.522 -0.130 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -3.059 -11.314 -1.851 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -3.118 -13.015 -2.371 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -3.386 -12.598 -0.662 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -0.924 -9.377 0.228 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -0.818 -9.743 -1.510 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -2.359 -9.961 -0.647 1.00 0.00 H new ATOM 1162 N LYS A 80 -0.649 -13.984 1.497 1.00 0.00 N ATOM 1163 CA LYS A 80 -0.977 -14.285 2.881 1.00 0.00 C ATOM 1164 C LYS A 80 -0.820 -13.053 3.768 1.00 0.00 C ATOM 1165 O LYS A 80 -1.621 -12.823 4.673 1.00 0.00 O ATOM 1166 CB LYS A 80 -0.087 -15.416 3.400 1.00 0.00 C ATOM 1167 CG LYS A 80 -0.278 -16.739 2.672 1.00 0.00 C ATOM 1168 CD LYS A 80 -1.668 -17.329 2.892 1.00 0.00 C ATOM 1169 CE LYS A 80 -1.808 -18.009 4.253 1.00 0.00 C ATOM 1170 NZ LYS A 80 -1.708 -17.055 5.390 1.00 0.00 N ATOM 0 H LYS A 80 0.275 -13.572 1.367 1.00 0.00 H new ATOM 0 HA LYS A 80 -2.020 -14.600 2.917 1.00 0.00 H new ATOM 0 HB2 LYS A 80 0.956 -15.113 3.313 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -0.288 -15.565 4.461 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -0.114 -16.590 1.605 1.00 0.00 H new ATOM 0 HG3 LYS A 80 0.474 -17.450 3.014 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -2.412 -16.537 2.807 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -1.881 -18.052 2.105 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -2.768 -18.523 4.300 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -1.034 -18.770 4.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -2.356 -17.349 6.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -0.733 -17.047 5.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -1.965 -16.101 5.066 1.00 0.00 H new ATOM 1184 N GLU A 81 0.211 -12.259 3.504 1.00 0.00 N ATOM 1185 CA GLU A 81 0.497 -11.067 4.308 1.00 0.00 C ATOM 1186 C GLU A 81 0.971 -9.957 3.398 1.00 0.00 C ATOM 1187 O GLU A 81 1.267 -10.222 2.241 1.00 0.00 O ATOM 1188 CB GLU A 81 1.591 -11.347 5.338 1.00 0.00 C ATOM 1189 CG GLU A 81 1.369 -12.600 6.155 1.00 0.00 C ATOM 1190 CD GLU A 81 2.427 -12.785 7.222 1.00 0.00 C ATOM 1191 OE1 GLU A 81 2.635 -11.852 8.023 1.00 0.00 O ATOM 1192 OE2 GLU A 81 3.049 -13.865 7.268 1.00 0.00 O ATOM 0 H GLU A 81 0.867 -12.416 2.739 1.00 0.00 H new ATOM 0 HA GLU A 81 -0.416 -10.780 4.830 1.00 0.00 H new ATOM 0 HB2 GLU A 81 2.548 -11.428 4.822 1.00 0.00 H new ATOM 0 HB3 GLU A 81 1.665 -10.495 6.014 1.00 0.00 H new ATOM 0 HG2 GLU A 81 0.386 -12.556 6.625 1.00 0.00 H new ATOM 0 HG3 GLU A 81 1.367 -13.467 5.494 1.00 0.00 H new ATOM 1199 N PHE A 82 1.036 -8.721 3.889 1.00 0.00 N ATOM 1200 CA PHE A 82 1.646 -7.655 3.103 1.00 0.00 C ATOM 1201 C PHE A 82 1.803 -6.374 3.904 1.00 0.00 C ATOM 1202 O PHE A 82 1.294 -6.255 5.023 1.00 0.00 O ATOM 1203 CB PHE A 82 0.836 -7.397 1.819 1.00 0.00 C ATOM 1204 CG PHE A 82 -0.351 -6.493 1.943 1.00 0.00 C ATOM 1205 CD1 PHE A 82 -1.190 -6.565 3.032 1.00 0.00 C ATOM 1206 CD2 PHE A 82 -0.654 -5.606 0.924 1.00 0.00 C ATOM 1207 CE1 PHE A 82 -2.298 -5.769 3.113 1.00 0.00 C ATOM 1208 CE2 PHE A 82 -1.765 -4.795 1.004 1.00 0.00 C ATOM 1209 CZ PHE A 82 -2.591 -4.878 2.101 1.00 0.00 C ATOM 0 H PHE A 82 0.683 -8.439 4.804 1.00 0.00 H new ATOM 0 HA PHE A 82 2.646 -7.988 2.826 1.00 0.00 H new ATOM 0 HB2 PHE A 82 1.508 -6.975 1.072 1.00 0.00 H new ATOM 0 HB3 PHE A 82 0.493 -8.357 1.434 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -0.970 -7.258 3.831 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -0.013 -5.549 0.057 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -2.947 -5.838 3.973 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -1.986 -4.098 0.210 1.00 0.00 H new ATOM 0 HZ PHE A 82 -3.466 -4.248 2.170 1.00 0.00 H new ATOM 1219 N TYR A 83 2.527 -5.433 3.315 1.00 0.00 N ATOM 1220 CA TYR A 83 2.599 -4.073 3.809 1.00 0.00 C ATOM 1221 C TYR A 83 3.061 -3.178 2.670 1.00 0.00 C ATOM 1222 O TYR A 83 3.775 -3.630 1.774 1.00 0.00 O ATOM 1223 CB TYR A 83 3.487 -3.955 5.066 1.00 0.00 C ATOM 1224 CG TYR A 83 4.987 -4.155 4.900 1.00 0.00 C ATOM 1225 CD1 TYR A 83 5.530 -5.002 3.944 1.00 0.00 C ATOM 1226 CD2 TYR A 83 5.864 -3.493 5.751 1.00 0.00 C ATOM 1227 CE1 TYR A 83 6.900 -5.178 3.845 1.00 0.00 C ATOM 1228 CE2 TYR A 83 7.229 -3.662 5.654 1.00 0.00 C ATOM 1229 CZ TYR A 83 7.743 -4.507 4.702 1.00 0.00 C ATOM 1230 OH TYR A 83 9.104 -4.688 4.613 1.00 0.00 O ATOM 0 H TYR A 83 3.083 -5.597 2.476 1.00 0.00 H new ATOM 0 HA TYR A 83 1.612 -3.747 4.137 1.00 0.00 H new ATOM 0 HB2 TYR A 83 3.327 -2.967 5.497 1.00 0.00 H new ATOM 0 HB3 TYR A 83 3.131 -4.682 5.796 1.00 0.00 H new ATOM 0 HD1 TYR A 83 4.875 -5.531 3.268 1.00 0.00 H new ATOM 0 HD2 TYR A 83 5.467 -2.831 6.506 1.00 0.00 H new ATOM 0 HE1 TYR A 83 7.307 -5.841 3.096 1.00 0.00 H new ATOM 0 HE2 TYR A 83 7.890 -3.132 6.324 1.00 0.00 H new ATOM 0 HH TYR A 83 9.552 -4.139 5.290 1.00 0.00 H new ATOM 1240 N ILE A 84 2.617 -1.938 2.655 1.00 0.00 N ATOM 1241 CA ILE A 84 2.833 -1.102 1.488 1.00 0.00 C ATOM 1242 C ILE A 84 4.076 -0.243 1.635 1.00 0.00 C ATOM 1243 O ILE A 84 4.367 0.279 2.715 1.00 0.00 O ATOM 1244 CB ILE A 84 1.611 -0.209 1.183 1.00 0.00 C ATOM 1245 CG1 ILE A 84 0.320 -1.034 1.222 1.00 0.00 C ATOM 1246 CG2 ILE A 84 1.774 0.442 -0.182 1.00 0.00 C ATOM 1247 CD1 ILE A 84 0.361 -2.270 0.354 1.00 0.00 C ATOM 0 H ILE A 84 2.113 -1.491 3.421 1.00 0.00 H new ATOM 0 HA ILE A 84 2.978 -1.781 0.648 1.00 0.00 H new ATOM 0 HB ILE A 84 1.547 0.568 1.944 1.00 0.00 H new ATOM 0 HG12 ILE A 84 0.120 -1.331 2.252 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -0.512 -0.405 0.904 1.00 0.00 H new ATOM 0 HG21 ILE A 84 0.908 1.071 -0.391 1.00 0.00 H new ATOM 0 HG22 ILE A 84 2.676 1.053 -0.188 1.00 0.00 H new ATOM 0 HG23 ILE A 84 1.854 -0.331 -0.946 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -0.587 -2.802 0.433 1.00 0.00 H new ATOM 0 HD12 ILE A 84 0.529 -1.981 -0.683 1.00 0.00 H new ATOM 0 HD13 ILE A 84 1.171 -2.920 0.685 1.00 0.00 H new ATOM 1259 N LYS A 85 4.804 -0.104 0.535 1.00 0.00 N ATOM 1260 CA LYS A 85 6.022 0.651 0.511 1.00 0.00 C ATOM 1261 C LYS A 85 5.736 2.088 0.150 1.00 0.00 C ATOM 1262 O LYS A 85 5.301 2.385 -0.967 1.00 0.00 O ATOM 1263 CB LYS A 85 6.982 0.074 -0.516 1.00 0.00 C ATOM 1264 CG LYS A 85 7.539 -1.290 -0.169 1.00 0.00 C ATOM 1265 CD LYS A 85 9.020 -1.284 -0.437 1.00 0.00 C ATOM 1266 CE LYS A 85 9.323 -1.189 -1.930 1.00 0.00 C ATOM 1267 NZ LYS A 85 10.738 -0.814 -2.202 1.00 0.00 N ATOM 0 H LYS A 85 4.554 -0.519 -0.363 1.00 0.00 H new ATOM 0 HA LYS A 85 6.472 0.600 1.503 1.00 0.00 H new ATOM 0 HB2 LYS A 85 6.469 0.008 -1.475 1.00 0.00 H new ATOM 0 HB3 LYS A 85 7.813 0.768 -0.646 1.00 0.00 H new ATOM 0 HG2 LYS A 85 7.345 -1.523 0.878 1.00 0.00 H new ATOM 0 HG3 LYS A 85 7.050 -2.061 -0.764 1.00 0.00 H new ATOM 0 HD2 LYS A 85 9.480 -0.443 0.082 1.00 0.00 H new ATOM 0 HD3 LYS A 85 9.467 -2.192 -0.032 1.00 0.00 H new ATOM 0 HE2 LYS A 85 9.107 -2.147 -2.403 1.00 0.00 H new ATOM 0 HE3 LYS A 85 8.661 -0.452 -2.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 10.794 0.204 -2.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 11.321 -1.033 -1.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 11.088 -1.351 -3.021 1.00 0.00 H new ATOM 1281 N TYR A 86 5.971 2.970 1.090 1.00 0.00 N ATOM 1282 CA TYR A 86 5.879 4.382 0.812 1.00 0.00 C ATOM 1283 C TYR A 86 7.250 4.880 0.401 1.00 0.00 C ATOM 1284 O TYR A 86 8.111 5.132 1.242 1.00 0.00 O ATOM 1285 CB TYR A 86 5.371 5.147 2.035 1.00 0.00 C ATOM 1286 CG TYR A 86 5.161 6.616 1.761 1.00 0.00 C ATOM 1287 CD1 TYR A 86 4.655 7.036 0.545 1.00 0.00 C ATOM 1288 CD2 TYR A 86 5.464 7.579 2.712 1.00 0.00 C ATOM 1289 CE1 TYR A 86 4.458 8.370 0.277 1.00 0.00 C ATOM 1290 CE2 TYR A 86 5.267 8.921 2.450 1.00 0.00 C ATOM 1291 CZ TYR A 86 4.761 9.310 1.229 1.00 0.00 C ATOM 1292 OH TYR A 86 4.568 10.646 0.955 1.00 0.00 O ATOM 0 H TYR A 86 6.226 2.737 2.050 1.00 0.00 H new ATOM 0 HA TYR A 86 5.167 4.550 0.004 1.00 0.00 H new ATOM 0 HB2 TYR A 86 4.431 4.707 2.369 1.00 0.00 H new ATOM 0 HB3 TYR A 86 6.084 5.033 2.851 1.00 0.00 H new ATOM 0 HD1 TYR A 86 4.410 6.302 -0.209 1.00 0.00 H new ATOM 0 HD2 TYR A 86 5.859 7.276 3.670 1.00 0.00 H new ATOM 0 HE1 TYR A 86 4.065 8.677 -0.681 1.00 0.00 H new ATOM 0 HE2 TYR A 86 5.508 9.661 3.198 1.00 0.00 H new ATOM 0 HH TYR A 86 3.801 10.978 1.468 1.00 0.00 H new ATOM 1302 N GLU A 87 7.455 5.020 -0.893 1.00 0.00 N ATOM 1303 CA GLU A 87 8.760 5.367 -1.402 1.00 0.00 C ATOM 1304 C GLU A 87 8.752 6.789 -1.943 1.00 0.00 C ATOM 1305 O GLU A 87 8.155 7.082 -2.976 1.00 0.00 O ATOM 1306 CB GLU A 87 9.181 4.357 -2.470 1.00 0.00 C ATOM 1307 CG GLU A 87 10.686 4.195 -2.593 1.00 0.00 C ATOM 1308 CD GLU A 87 11.077 2.906 -3.293 1.00 0.00 C ATOM 1309 OE1 GLU A 87 11.037 1.837 -2.641 1.00 0.00 O ATOM 1310 OE2 GLU A 87 11.425 2.953 -4.491 1.00 0.00 O ATOM 0 H GLU A 87 6.736 4.899 -1.606 1.00 0.00 H new ATOM 0 HA GLU A 87 9.491 5.328 -0.594 1.00 0.00 H new ATOM 0 HB2 GLU A 87 8.737 3.389 -2.238 1.00 0.00 H new ATOM 0 HB3 GLU A 87 8.778 4.670 -3.433 1.00 0.00 H new ATOM 0 HG2 GLU A 87 11.096 5.042 -3.143 1.00 0.00 H new ATOM 0 HG3 GLU A 87 11.133 4.215 -1.599 1.00 0.00 H new ATOM 1317 N VAL A 88 9.396 7.673 -1.210 1.00 0.00 N ATOM 1318 CA VAL A 88 9.472 9.074 -1.576 1.00 0.00 C ATOM 1319 C VAL A 88 10.662 9.282 -2.502 1.00 0.00 C ATOM 1320 O VAL A 88 11.513 8.398 -2.594 1.00 0.00 O ATOM 1321 CB VAL A 88 9.609 9.967 -0.319 1.00 0.00 C ATOM 1322 CG1 VAL A 88 9.477 11.445 -0.666 1.00 0.00 C ATOM 1323 CG2 VAL A 88 8.570 9.573 0.716 1.00 0.00 C ATOM 0 H VAL A 88 9.882 7.442 -0.343 1.00 0.00 H new ATOM 0 HA VAL A 88 8.553 9.358 -2.089 1.00 0.00 H new ATOM 0 HB VAL A 88 10.605 9.812 0.096 1.00 0.00 H new ATOM 0 HG11 VAL A 88 9.578 12.042 0.240 1.00 0.00 H new ATOM 0 HG12 VAL A 88 10.258 11.724 -1.373 1.00 0.00 H new ATOM 0 HG13 VAL A 88 8.500 11.628 -1.114 1.00 0.00 H new ATOM 0 HG21 VAL A 88 8.675 10.207 1.596 1.00 0.00 H new ATOM 0 HG22 VAL A 88 7.572 9.698 0.296 1.00 0.00 H new ATOM 0 HG23 VAL A 88 8.716 8.531 1.000 1.00 0.00 H new ATOM 1333 N SER A 89 10.706 10.416 -3.196 1.00 0.00 N ATOM 1334 CA SER A 89 11.782 10.720 -4.135 1.00 0.00 C ATOM 1335 C SER A 89 13.147 10.349 -3.550 1.00 0.00 C ATOM 1336 O SER A 89 13.999 9.784 -4.237 1.00 0.00 O ATOM 1337 CB SER A 89 11.743 12.209 -4.470 1.00 0.00 C ATOM 1338 OG SER A 89 10.401 12.680 -4.498 1.00 0.00 O ATOM 0 H SER A 89 9.999 11.148 -3.124 1.00 0.00 H new ATOM 0 HA SER A 89 11.637 10.131 -5.040 1.00 0.00 H new ATOM 0 HB2 SER A 89 12.315 12.769 -3.730 1.00 0.00 H new ATOM 0 HB3 SER A 89 12.215 12.382 -5.437 1.00 0.00 H new ATOM 0 HG SER A 89 9.824 12.000 -4.905 1.00 0.00 H new ATOM 1344 N GLY A 90 13.328 10.638 -2.266 1.00 0.00 N ATOM 1345 CA GLY A 90 14.569 10.307 -1.606 1.00 0.00 C ATOM 1346 C GLY A 90 14.370 9.702 -0.226 1.00 0.00 C ATOM 1347 O GLY A 90 15.262 9.780 0.613 1.00 0.00 O ATOM 0 H GLY A 90 12.635 11.096 -1.674 1.00 0.00 H new ATOM 0 HA2 GLY A 90 15.127 9.606 -2.226 1.00 0.00 H new ATOM 0 HA3 GLY A 90 15.177 11.207 -1.517 1.00 0.00 H new ATOM 1351 N LYS A 91 13.203 9.110 0.022 1.00 0.00 N ATOM 1352 CA LYS A 91 12.946 8.456 1.303 1.00 0.00 C ATOM 1353 C LYS A 91 12.150 7.188 1.133 1.00 0.00 C ATOM 1354 O LYS A 91 11.719 6.836 0.036 1.00 0.00 O ATOM 1355 CB LYS A 91 12.194 9.372 2.264 1.00 0.00 C ATOM 1356 CG LYS A 91 13.101 10.270 3.069 1.00 0.00 C ATOM 1357 CD LYS A 91 13.622 9.575 4.314 1.00 0.00 C ATOM 1358 CE LYS A 91 14.490 10.508 5.145 1.00 0.00 C ATOM 1359 NZ LYS A 91 13.696 11.611 5.747 1.00 0.00 N ATOM 0 H LYS A 91 12.428 9.070 -0.640 1.00 0.00 H new ATOM 0 HA LYS A 91 13.925 8.217 1.719 1.00 0.00 H new ATOM 0 HB2 LYS A 91 11.496 9.988 1.696 1.00 0.00 H new ATOM 0 HB3 LYS A 91 11.600 8.763 2.945 1.00 0.00 H new ATOM 0 HG2 LYS A 91 13.941 10.586 2.451 1.00 0.00 H new ATOM 0 HG3 LYS A 91 12.559 11.171 3.356 1.00 0.00 H new ATOM 0 HD2 LYS A 91 12.783 9.224 4.915 1.00 0.00 H new ATOM 0 HD3 LYS A 91 14.200 8.696 4.028 1.00 0.00 H new ATOM 0 HE2 LYS A 91 14.981 9.940 5.935 1.00 0.00 H new ATOM 0 HE3 LYS A 91 15.277 10.927 4.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 14.264 12.092 6.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 13.432 12.292 5.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 12.836 11.222 6.183 1.00 0.00 H new ATOM 1373 N THR A 92 11.970 6.509 2.240 1.00 0.00 N ATOM 1374 CA THR A 92 11.131 5.321 2.296 1.00 0.00 C ATOM 1375 C THR A 92 10.492 5.181 3.669 1.00 0.00 C ATOM 1376 O THR A 92 11.130 5.415 4.695 1.00 0.00 O ATOM 1377 CB THR A 92 11.902 4.019 1.995 1.00 0.00 C ATOM 1378 OG1 THR A 92 12.776 4.196 0.869 1.00 0.00 O ATOM 1379 CG2 THR A 92 10.938 2.872 1.702 1.00 0.00 C ATOM 0 H THR A 92 12.398 6.759 3.131 1.00 0.00 H new ATOM 0 HA THR A 92 10.374 5.459 1.524 1.00 0.00 H new ATOM 0 HB THR A 92 12.493 3.775 2.878 1.00 0.00 H new ATOM 0 HG1 THR A 92 13.258 3.361 0.694 1.00 0.00 H new ATOM 0 HG21 THR A 92 11.505 1.965 1.493 1.00 0.00 H new ATOM 0 HG22 THR A 92 10.295 2.707 2.567 1.00 0.00 H new ATOM 0 HG23 THR A 92 10.325 3.124 0.837 1.00 0.00 H new ATOM 1387 N TYR A 93 9.236 4.802 3.660 1.00 0.00 N ATOM 1388 CA TYR A 93 8.496 4.478 4.866 1.00 0.00 C ATOM 1389 C TYR A 93 7.620 3.277 4.562 1.00 0.00 C ATOM 1390 O TYR A 93 7.749 2.666 3.499 1.00 0.00 O ATOM 1391 CB TYR A 93 7.623 5.648 5.339 1.00 0.00 C ATOM 1392 CG TYR A 93 8.361 6.944 5.517 1.00 0.00 C ATOM 1393 CD1 TYR A 93 9.216 7.158 6.588 1.00 0.00 C ATOM 1394 CD2 TYR A 93 8.191 7.951 4.598 1.00 0.00 C ATOM 1395 CE1 TYR A 93 9.884 8.357 6.733 1.00 0.00 C ATOM 1396 CE2 TYR A 93 8.853 9.158 4.727 1.00 0.00 C ATOM 1397 CZ TYR A 93 9.699 9.356 5.799 1.00 0.00 C ATOM 1398 OH TYR A 93 10.366 10.552 5.940 1.00 0.00 O ATOM 0 H TYR A 93 8.688 4.707 2.805 1.00 0.00 H new ATOM 0 HA TYR A 93 9.202 4.263 5.668 1.00 0.00 H new ATOM 0 HB2 TYR A 93 6.818 5.799 4.619 1.00 0.00 H new ATOM 0 HB3 TYR A 93 7.157 5.377 6.286 1.00 0.00 H new ATOM 0 HD1 TYR A 93 9.361 6.376 7.318 1.00 0.00 H new ATOM 0 HD2 TYR A 93 7.528 7.797 3.759 1.00 0.00 H new ATOM 0 HE1 TYR A 93 10.547 8.512 7.571 1.00 0.00 H new ATOM 0 HE2 TYR A 93 8.709 9.939 3.995 1.00 0.00 H new ATOM 0 HH TYR A 93 10.128 11.148 5.200 1.00 0.00 H new ATOM 1408 N TYR A 94 6.711 2.962 5.460 1.00 0.00 N ATOM 1409 CA TYR A 94 5.911 1.752 5.330 1.00 0.00 C ATOM 1410 C TYR A 94 4.519 1.938 5.916 1.00 0.00 C ATOM 1411 O TYR A 94 4.333 2.652 6.907 1.00 0.00 O ATOM 1412 CB TYR A 94 6.577 0.566 6.044 1.00 0.00 C ATOM 1413 CG TYR A 94 7.942 0.173 5.521 1.00 0.00 C ATOM 1414 CD1 TYR A 94 8.082 -0.544 4.337 1.00 0.00 C ATOM 1415 CD2 TYR A 94 9.091 0.494 6.231 1.00 0.00 C ATOM 1416 CE1 TYR A 94 9.328 -0.927 3.877 1.00 0.00 C ATOM 1417 CE2 TYR A 94 10.339 0.121 5.775 1.00 0.00 C ATOM 1418 CZ TYR A 94 10.453 -0.589 4.601 1.00 0.00 C ATOM 1419 OH TYR A 94 11.698 -0.970 4.155 1.00 0.00 O ATOM 0 H TYR A 94 6.504 3.522 6.287 1.00 0.00 H new ATOM 0 HA TYR A 94 5.834 1.546 4.262 1.00 0.00 H new ATOM 0 HB2 TYR A 94 6.669 0.807 7.103 1.00 0.00 H new ATOM 0 HB3 TYR A 94 5.916 -0.298 5.970 1.00 0.00 H new ATOM 0 HD1 TYR A 94 7.202 -0.806 3.768 1.00 0.00 H new ATOM 0 HD2 TYR A 94 9.007 1.045 7.156 1.00 0.00 H new ATOM 0 HE1 TYR A 94 9.420 -1.487 2.958 1.00 0.00 H new ATOM 0 HE2 TYR A 94 11.223 0.385 6.337 1.00 0.00 H new ATOM 0 HH TYR A 94 12.381 -0.651 4.781 1.00 0.00 H new ATOM 1429 N ASP A 95 3.549 1.295 5.290 1.00 0.00 N ATOM 1430 CA ASP A 95 2.223 1.145 5.871 1.00 0.00 C ATOM 1431 C ASP A 95 2.056 -0.306 6.300 1.00 0.00 C ATOM 1432 O ASP A 95 1.776 -1.178 5.476 1.00 0.00 O ATOM 1433 CB ASP A 95 1.129 1.537 4.874 1.00 0.00 C ATOM 1434 CG ASP A 95 -0.264 1.379 5.457 1.00 0.00 C ATOM 1435 OD1 ASP A 95 -0.769 2.338 6.076 1.00 0.00 O ATOM 1436 OD2 ASP A 95 -0.858 0.293 5.308 1.00 0.00 O ATOM 0 H ASP A 95 3.655 0.864 4.371 1.00 0.00 H new ATOM 0 HA ASP A 95 2.126 1.809 6.730 1.00 0.00 H new ATOM 0 HB2 ASP A 95 1.276 2.572 4.565 1.00 0.00 H new ATOM 0 HB3 ASP A 95 1.218 0.921 3.979 1.00 0.00 H new ATOM 1441 N ASN A 96 2.280 -0.573 7.580 1.00 0.00 N ATOM 1442 CA ASN A 96 2.303 -1.945 8.072 1.00 0.00 C ATOM 1443 C ASN A 96 1.714 -2.062 9.468 1.00 0.00 C ATOM 1444 O ASN A 96 2.132 -2.934 10.239 1.00 0.00 O ATOM 1445 CB ASN A 96 3.739 -2.485 8.082 1.00 0.00 C ATOM 1446 CG ASN A 96 4.707 -1.626 8.885 1.00 0.00 C ATOM 1447 OD1 ASN A 96 4.319 -0.918 9.814 1.00 0.00 O ATOM 1448 ND2 ASN A 96 5.984 -1.703 8.546 1.00 0.00 N ATOM 0 H ASN A 96 2.447 0.137 8.293 1.00 0.00 H new ATOM 0 HA ASN A 96 1.688 -2.536 7.394 1.00 0.00 H new ATOM 0 HB2 ASN A 96 3.736 -3.495 8.492 1.00 0.00 H new ATOM 0 HB3 ASN A 96 4.098 -2.559 7.055 1.00 0.00 H new ATOM 0 HD21 ASN A 96 6.682 -1.165 9.060 1.00 0.00 H new ATOM 0 HD22 ASN A 96 6.271 -2.300 7.770 1.00 0.00 H new ATOM 1455 N ASN A 97 0.733 -1.210 9.777 1.00 0.00 N ATOM 1456 CA ASN A 97 0.116 -1.155 11.104 1.00 0.00 C ATOM 1457 C ASN A 97 1.100 -0.635 12.157 1.00 0.00 C ATOM 1458 O ASN A 97 0.949 0.470 12.680 1.00 0.00 O ATOM 1459 CB ASN A 97 -0.390 -2.545 11.500 1.00 0.00 C ATOM 1460 CG ASN A 97 -1.802 -2.542 12.032 1.00 0.00 C ATOM 1461 OD1 ASN A 97 -2.256 -1.577 12.646 1.00 0.00 O ATOM 1462 ND2 ASN A 97 -2.505 -3.634 11.796 1.00 0.00 N ATOM 0 H ASN A 97 0.344 -0.539 9.114 1.00 0.00 H new ATOM 0 HA ASN A 97 -0.723 -0.461 11.058 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -0.338 -3.203 10.632 1.00 0.00 H new ATOM 0 HB3 ASN A 97 0.274 -2.963 12.257 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -3.467 -3.703 12.127 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -2.086 -4.409 11.282 1.00 0.00 H new ATOM 1469 N ASN A 98 2.121 -1.436 12.425 1.00 0.00 N ATOM 1470 CA ASN A 98 3.105 -1.167 13.468 1.00 0.00 C ATOM 1471 C ASN A 98 4.219 -2.188 13.332 1.00 0.00 C ATOM 1472 O ASN A 98 4.753 -2.698 14.317 1.00 0.00 O ATOM 1473 CB ASN A 98 2.461 -1.248 14.866 1.00 0.00 C ATOM 1474 CG ASN A 98 1.766 -2.578 15.134 1.00 0.00 C ATOM 1475 OD1 ASN A 98 0.604 -2.767 14.773 1.00 0.00 O ATOM 1476 ND2 ASN A 98 2.455 -3.497 15.792 1.00 0.00 N ATOM 0 H ASN A 98 2.293 -2.304 11.918 1.00 0.00 H new ATOM 0 HA ASN A 98 3.502 -0.158 13.354 1.00 0.00 H new ATOM 0 HB2 ASN A 98 3.230 -1.089 15.622 1.00 0.00 H new ATOM 0 HB3 ASN A 98 1.737 -0.440 14.972 1.00 0.00 H new ATOM 0 HD21 ASN A 98 2.025 -4.395 16.015 1.00 0.00 H new ATOM 0 HD22 ASN A 98 3.416 -3.308 16.076 1.00 0.00 H new ATOM 1483 N SER A 99 4.566 -2.454 12.076 1.00 0.00 N ATOM 1484 CA SER A 99 5.412 -3.577 11.702 1.00 0.00 C ATOM 1485 C SER A 99 4.696 -4.878 12.059 1.00 0.00 C ATOM 1486 O SER A 99 5.266 -5.793 12.654 1.00 0.00 O ATOM 1487 CB SER A 99 6.793 -3.490 12.369 1.00 0.00 C ATOM 1488 OG SER A 99 7.710 -4.393 11.771 1.00 0.00 O ATOM 0 H SER A 99 4.263 -1.889 11.283 1.00 0.00 H new ATOM 0 HA SER A 99 5.588 -3.550 10.627 1.00 0.00 H new ATOM 0 HB2 SER A 99 7.175 -2.472 12.288 1.00 0.00 H new ATOM 0 HB3 SER A 99 6.701 -3.712 13.432 1.00 0.00 H new ATOM 0 HG SER A 99 7.346 -5.302 11.809 1.00 0.00 H new ATOM 1494 N ALA A 100 3.421 -4.934 11.687 1.00 0.00 N ATOM 1495 CA ALA A 100 2.563 -6.063 12.014 1.00 0.00 C ATOM 1496 C ALA A 100 2.383 -6.979 10.809 1.00 0.00 C ATOM 1497 O ALA A 100 2.371 -8.202 10.961 1.00 0.00 O ATOM 1498 CB ALA A 100 1.212 -5.554 12.497 1.00 0.00 C ATOM 0 H ALA A 100 2.957 -4.200 11.152 1.00 0.00 H new ATOM 0 HA ALA A 100 3.036 -6.642 12.807 1.00 0.00 H new ATOM 0 HB1 ALA A 100 0.570 -6.401 12.742 1.00 0.00 H new ATOM 0 HB2 ALA A 100 1.352 -4.937 13.384 1.00 0.00 H new ATOM 0 HB3 ALA A 100 0.745 -4.960 11.711 1.00 0.00 H new ATOM 1504 N ASN A 101 2.264 -6.376 9.621 1.00 0.00 N ATOM 1505 CA ASN A 101 1.968 -7.114 8.385 1.00 0.00 C ATOM 1506 C ASN A 101 0.555 -7.674 8.431 1.00 0.00 C ATOM 1507 O ASN A 101 0.235 -8.525 9.257 1.00 0.00 O ATOM 1508 CB ASN A 101 2.986 -8.233 8.133 1.00 0.00 C ATOM 1509 CG ASN A 101 4.315 -7.709 7.619 1.00 0.00 C ATOM 1510 OD1 ASN A 101 4.685 -6.561 7.872 1.00 0.00 O ATOM 1511 ND2 ASN A 101 5.047 -8.552 6.906 1.00 0.00 N ATOM 0 H ASN A 101 2.369 -5.370 9.488 1.00 0.00 H new ATOM 0 HA ASN A 101 2.043 -6.413 7.554 1.00 0.00 H new ATOM 0 HB2 ASN A 101 3.151 -8.784 9.059 1.00 0.00 H new ATOM 0 HB3 ASN A 101 2.574 -8.938 7.411 1.00 0.00 H new ATOM 0 HD21 ASN A 101 5.954 -8.259 6.544 1.00 0.00 H new ATOM 0 HD22 ASN A 101 4.703 -9.494 6.719 1.00 0.00 H new ATOM 1518 N TYR A 102 -0.290 -7.183 7.539 1.00 0.00 N ATOM 1519 CA TYR A 102 -1.702 -7.540 7.554 1.00 0.00 C ATOM 1520 C TYR A 102 -1.904 -8.927 6.973 1.00 0.00 C ATOM 1521 O TYR A 102 -1.351 -9.248 5.920 1.00 0.00 O ATOM 1522 CB TYR A 102 -2.525 -6.543 6.740 1.00 0.00 C ATOM 1523 CG TYR A 102 -2.125 -5.102 6.939 1.00 0.00 C ATOM 1524 CD1 TYR A 102 -2.633 -4.349 7.987 1.00 0.00 C ATOM 1525 CD2 TYR A 102 -1.234 -4.498 6.067 1.00 0.00 C ATOM 1526 CE1 TYR A 102 -2.260 -3.030 8.159 1.00 0.00 C ATOM 1527 CE2 TYR A 102 -0.853 -3.187 6.229 1.00 0.00 C ATOM 1528 CZ TYR A 102 -1.369 -2.451 7.279 1.00 0.00 C ATOM 1529 OH TYR A 102 -0.992 -1.140 7.456 1.00 0.00 O ATOM 0 H TYR A 102 -0.025 -6.537 6.796 1.00 0.00 H new ATOM 0 HA TYR A 102 -2.035 -7.522 8.592 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -2.433 -6.791 5.683 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -3.577 -6.656 7.004 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -3.330 -4.800 8.678 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -0.831 -5.068 5.243 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -2.664 -2.455 8.979 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -0.155 -2.735 5.540 1.00 0.00 H new ATOM 0 HH TYR A 102 -0.738 -0.753 6.592 1.00 0.00 H new ATOM 1539 N GLN A 103 -2.685 -9.740 7.660 1.00 0.00 N ATOM 1540 CA GLN A 103 -3.047 -11.048 7.150 1.00 0.00 C ATOM 1541 C GLN A 103 -4.160 -10.903 6.123 1.00 0.00 C ATOM 1542 O GLN A 103 -5.160 -10.225 6.366 1.00 0.00 O ATOM 1543 CB GLN A 103 -3.489 -11.986 8.281 1.00 0.00 C ATOM 1544 CG GLN A 103 -2.351 -12.589 9.097 1.00 0.00 C ATOM 1545 CD GLN A 103 -1.423 -11.554 9.696 1.00 0.00 C ATOM 1546 OE1 GLN A 103 -1.636 -11.073 10.808 1.00 0.00 O ATOM 1547 NE2 GLN A 103 -0.388 -11.212 8.958 1.00 0.00 N ATOM 0 H GLN A 103 -3.081 -9.517 8.573 1.00 0.00 H new ATOM 0 HA GLN A 103 -2.169 -11.488 6.678 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -4.147 -11.436 8.954 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -4.078 -12.797 7.852 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -2.771 -13.196 9.899 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -1.773 -13.259 8.460 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -0.252 -11.638 8.041 1.00 0.00 H new ATOM 0 HE22 GLN A 103 0.278 -10.521 9.303 1.00 0.00 H new ATOM 1556 N VAL A 104 -3.965 -11.511 4.969 1.00 0.00 N ATOM 1557 CA VAL A 104 -4.950 -11.473 3.904 1.00 0.00 C ATOM 1558 C VAL A 104 -6.071 -12.470 4.172 1.00 0.00 C ATOM 1559 O VAL A 104 -5.818 -13.616 4.548 1.00 0.00 O ATOM 1560 CB VAL A 104 -4.288 -11.782 2.547 1.00 0.00 C ATOM 1561 CG1 VAL A 104 -5.320 -11.842 1.432 1.00 0.00 C ATOM 1562 CG2 VAL A 104 -3.221 -10.743 2.240 1.00 0.00 C ATOM 0 H VAL A 104 -3.124 -12.043 4.743 1.00 0.00 H new ATOM 0 HA VAL A 104 -5.375 -10.470 3.871 1.00 0.00 H new ATOM 0 HB VAL A 104 -3.816 -12.762 2.611 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -4.823 -12.062 0.487 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -6.046 -12.625 1.650 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -5.832 -10.883 1.358 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -2.759 -10.969 1.279 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -3.677 -9.754 2.199 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -2.461 -10.760 3.021 1.00 0.00 H new ATOM 1572 N SER A 105 -7.304 -12.019 3.998 1.00 0.00 N ATOM 1573 CA SER A 105 -8.467 -12.859 4.211 1.00 0.00 C ATOM 1574 C SER A 105 -8.668 -13.813 3.034 1.00 0.00 C ATOM 1575 O SER A 105 -9.519 -13.591 2.170 1.00 0.00 O ATOM 1576 CB SER A 105 -9.699 -11.975 4.423 1.00 0.00 C ATOM 1577 OG SER A 105 -9.742 -10.928 3.465 1.00 0.00 O ATOM 0 H SER A 105 -7.523 -11.066 3.707 1.00 0.00 H new ATOM 0 HA SER A 105 -8.313 -13.468 5.102 1.00 0.00 H new ATOM 0 HB2 SER A 105 -10.603 -12.580 4.348 1.00 0.00 H new ATOM 0 HB3 SER A 105 -9.680 -11.553 5.428 1.00 0.00 H new ATOM 0 HG SER A 105 -9.703 -11.308 2.563 1.00 0.00 H new ATOM 1583 N THR A 106 -7.859 -14.861 2.998 1.00 0.00 N ATOM 1584 CA THR A 106 -7.946 -15.870 1.960 1.00 0.00 C ATOM 1585 C THR A 106 -8.960 -16.954 2.327 1.00 0.00 C ATOM 1586 O THR A 106 -8.546 -18.021 2.825 1.00 0.00 O ATOM 1587 CB THR A 106 -6.561 -16.500 1.712 1.00 0.00 C ATOM 1588 OG1 THR A 106 -5.853 -16.637 2.957 1.00 0.00 O ATOM 1589 CG2 THR A 106 -5.747 -15.653 0.746 1.00 0.00 C ATOM 1590 OXT THR A 106 -10.173 -16.723 2.145 1.00 0.00 O ATOM 0 H THR A 106 -7.127 -15.033 3.687 1.00 0.00 H new ATOM 0 HA THR A 106 -8.286 -15.385 1.045 1.00 0.00 H new ATOM 0 HB THR A 106 -6.707 -17.485 1.269 1.00 0.00 H new ATOM 0 HG1 THR A 106 -4.975 -17.039 2.791 1.00 0.00 H new ATOM 0 HG21 THR A 106 -4.774 -16.117 0.586 1.00 0.00 H new ATOM 0 HG22 THR A 106 -6.274 -15.578 -0.205 1.00 0.00 H new ATOM 0 HG23 THR A 106 -5.609 -14.656 1.164 1.00 0.00 H new