USER MOD reduce.3.24.130724 H: found=0, std=0, add=770, rem=0, adj=43 USER MOD reduce.3.24.130724 removed 770 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 83 TYR OH : rot -88:sc= 0.128 USER MOD Set 1.2: A 94 TYR OH : rot -135:sc= 1.3 USER MOD Set 2.1: A 24 LYS NZ :NH3+ -152:sc= 2.11 (180deg=0.235) USER MOD Set 2.2: A 69 TYR OH : rot 165:sc= 0.876 USER MOD Set 3.1: A 44 SER OG : rot 119:sc= 0.888 USER MOD Set 3.2: A 48 ASN : amide:sc= 0.723 X(o=1.6,f=1.8) USER MOD Set 4.1: A 37 THR OG1 : rot -119:sc= -1.36! USER MOD Set 4.2: A 85 LYS NZ :NH3+ 139:sc= 1.04 (180deg=-1.41) USER MOD Set 5.1: A 20 THR OG1 : rot 180:sc= 0 USER MOD Set 5.2: A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 1 ALA N :NH3+ -119:sc= 0.136 (180deg=0) USER MOD Single : A 2 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 153:sc= 0.454 USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 SER OG : rot -0:sc= 1.07 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -0.0272 K(o=-0.027,f=-1.1) USER MOD Single : A 16 TYR OH : rot 111:sc= -2.02! USER MOD Single : A 19 SER OG : rot 76:sc= 1.29 USER MOD Single : A 22 SER OG : rot 7:sc= 1.23 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0205) USER MOD Single : A 29 ASN : amide:sc= -0.0338 K(o=-0.034,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+ -144:sc= 1.64 (180deg=-3.69!) USER MOD Single : A 35 LYS NZ :NH3+ -155:sc= -1.11! (180deg=-3.49!) USER MOD Single : A 40 TYR OH : rot -42:sc= 0.76 USER MOD Single : A 46 ASN : amide:sc= -0.297 K(o=-0.3,f=-5.3!) USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 ASN : amide:sc= -0.459 K(o=-0.46,f=-5.7!) USER MOD Single : A 52 ASN : amide:sc= -3.67! C(o=-3.7!,f=-3!) 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= 0.00373 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 TYR OH : rot 180:sc= -0.151 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+ 173:sc= 0 (180deg=-0.0265) USER MOD Single : A 80 LYS NZ :NH3+ -149:sc= 1.18 (180deg=1.04) USER MOD Single : A 86 TYR OH : rot 111:sc= -0.952! USER MOD Single : A 89 SER OG : rot 180:sc=0.000889 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= -0.028 USER MOD Single : A 93 TYR OH : rot 30:sc= -0.553 USER MOD Single : A 96 ASN : amide:sc= 0.024 K(o=0.024,f=-4.6!) USER MOD Single : A 97 ASN : amide:sc= -0.0877 K(o=-0.088,f=-0.98!) USER MOD Single : A 98 ASN : amide:sc= -1.33! K(o=-1.3!,f=-0.042) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 101 ASN : amide:sc= -2.75! K(o=-2.7!,f=-0.89) USER MOD Single : A 102 TYR OH : rot -68:sc= 0.176 USER MOD Single : A 103 GLN : amide:sc= -3.73! C(o=-3.7!,f=-3!) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 THR OG1 : rot 111:sc= 0.656 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -11.402 16.092 11.711 1.00 0.00 N ATOM 2 CA ALA A 1 -10.072 16.380 12.289 1.00 0.00 C ATOM 3 C ALA A 1 -9.006 16.297 11.208 1.00 0.00 C ATOM 4 O ALA A 1 -9.330 16.173 10.025 1.00 0.00 O ATOM 5 CB ALA A 1 -9.762 15.416 13.427 1.00 0.00 C ATOM 0 H1 ALA A 1 -12.020 16.919 11.833 1.00 0.00 H new ATOM 0 H2 ALA A 1 -11.302 15.881 10.698 1.00 0.00 H new ATOM 0 H3 ALA A 1 -11.821 15.273 12.195 1.00 0.00 H new ATOM 0 HA ALA A 1 -10.078 17.391 12.696 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -8.779 15.644 13.839 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -10.516 15.520 14.207 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -9.769 14.393 13.050 1.00 0.00 H new ATOM 13 N SER A 2 -7.743 16.379 11.601 1.00 0.00 N ATOM 14 CA SER A 2 -6.644 16.230 10.659 1.00 0.00 C ATOM 15 C SER A 2 -6.694 14.856 9.993 1.00 0.00 C ATOM 16 O SER A 2 -7.156 13.875 10.586 1.00 0.00 O ATOM 17 CB SER A 2 -5.306 16.416 11.372 1.00 0.00 C ATOM 18 OG SER A 2 -5.261 17.657 12.059 1.00 0.00 O ATOM 0 H SER A 2 -7.454 16.548 12.565 1.00 0.00 H new ATOM 0 HA SER A 2 -6.744 16.996 9.890 1.00 0.00 H new ATOM 0 HB2 SER A 2 -5.150 15.600 12.078 1.00 0.00 H new ATOM 0 HB3 SER A 2 -4.494 16.369 10.646 1.00 0.00 H new ATOM 0 HG SER A 2 -4.395 17.751 12.508 1.00 0.00 H new ATOM 24 N ILE A 3 -6.235 14.800 8.756 1.00 0.00 N ATOM 25 CA ILE A 3 -6.248 13.564 7.990 1.00 0.00 C ATOM 26 C ILE A 3 -5.210 12.559 8.518 1.00 0.00 C ATOM 27 O ILE A 3 -5.546 11.393 8.740 1.00 0.00 O ATOM 28 CB ILE A 3 -6.014 13.829 6.486 1.00 0.00 C ATOM 29 CG1 ILE A 3 -7.019 14.864 5.957 1.00 0.00 C ATOM 30 CG2 ILE A 3 -6.123 12.535 5.697 1.00 0.00 C ATOM 31 CD1 ILE A 3 -8.468 14.448 6.110 1.00 0.00 C ATOM 0 H ILE A 3 -5.846 15.600 8.257 1.00 0.00 H new ATOM 0 HA ILE A 3 -7.239 13.127 8.113 1.00 0.00 H new ATOM 0 HB ILE A 3 -5.008 14.230 6.360 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -6.865 15.807 6.482 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -6.814 15.049 4.903 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -5.956 12.739 4.639 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -5.374 11.827 6.053 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -7.117 12.109 5.832 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -9.115 15.231 5.714 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -8.641 13.522 5.561 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -8.692 14.292 7.165 1.00 0.00 H new ATOM 43 N PRO A 4 -3.938 12.976 8.726 1.00 0.00 N ATOM 44 CA PRO A 4 -2.912 12.094 9.296 1.00 0.00 C ATOM 45 C PRO A 4 -3.305 11.555 10.668 1.00 0.00 C ATOM 46 O PRO A 4 -3.902 12.263 11.480 1.00 0.00 O ATOM 47 CB PRO A 4 -1.678 12.990 9.423 1.00 0.00 C ATOM 48 CG PRO A 4 -1.901 14.093 8.454 1.00 0.00 C ATOM 49 CD PRO A 4 -3.388 14.305 8.401 1.00 0.00 C ATOM 0 HA PRO A 4 -2.754 11.216 8.670 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -1.571 13.372 10.438 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -0.766 12.440 9.192 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -1.389 15.001 8.772 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -1.509 13.834 7.471 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -3.712 15.059 9.118 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -3.710 14.643 7.416 1.00 0.00 H new ATOM 57 N SER A 5 -2.957 10.302 10.920 1.00 0.00 N ATOM 58 CA SER A 5 -3.270 9.658 12.184 1.00 0.00 C ATOM 59 C SER A 5 -2.324 8.485 12.417 1.00 0.00 C ATOM 60 O SER A 5 -1.571 8.463 13.388 1.00 0.00 O ATOM 61 CB SER A 5 -4.727 9.182 12.189 1.00 0.00 C ATOM 62 OG SER A 5 -5.073 8.584 13.427 1.00 0.00 O ATOM 0 H SER A 5 -2.454 9.709 10.260 1.00 0.00 H new ATOM 0 HA SER A 5 -3.140 10.378 12.992 1.00 0.00 H new ATOM 0 HB2 SER A 5 -5.388 10.027 11.994 1.00 0.00 H new ATOM 0 HB3 SER A 5 -4.880 8.465 11.382 1.00 0.00 H new ATOM 0 HG SER A 5 -6.008 8.292 13.399 1.00 0.00 H new ATOM 68 N SER A 6 -2.356 7.523 11.502 1.00 0.00 N ATOM 69 CA SER A 6 -1.498 6.353 11.593 1.00 0.00 C ATOM 70 C SER A 6 -0.079 6.692 11.135 1.00 0.00 C ATOM 71 O SER A 6 0.827 6.844 11.954 1.00 0.00 O ATOM 72 CB SER A 6 -2.085 5.205 10.761 1.00 0.00 C ATOM 73 OG SER A 6 -1.243 4.065 10.770 1.00 0.00 O ATOM 0 H SER A 6 -2.970 7.533 10.687 1.00 0.00 H new ATOM 0 HA SER A 6 -1.446 6.033 12.634 1.00 0.00 H new ATOM 0 HB2 SER A 6 -3.066 4.936 11.154 1.00 0.00 H new ATOM 0 HB3 SER A 6 -2.234 5.539 9.734 1.00 0.00 H new ATOM 0 HG SER A 6 -1.649 3.354 10.232 1.00 0.00 H new ATOM 79 N ALA A 7 0.111 6.837 9.831 1.00 0.00 N ATOM 80 CA ALA A 7 1.413 7.133 9.281 1.00 0.00 C ATOM 81 C ALA A 7 1.281 8.119 8.128 1.00 0.00 C ATOM 82 O ALA A 7 0.269 8.813 8.014 1.00 0.00 O ATOM 83 CB ALA A 7 2.070 5.848 8.813 1.00 0.00 C ATOM 0 H ALA A 7 -0.630 6.752 9.135 1.00 0.00 H new ATOM 0 HA ALA A 7 2.037 7.588 10.050 1.00 0.00 H new ATOM 0 HB1 ALA A 7 3.053 6.072 8.398 1.00 0.00 H new ATOM 0 HB2 ALA A 7 2.179 5.167 9.657 1.00 0.00 H new ATOM 0 HB3 ALA A 7 1.451 5.381 8.047 1.00 0.00 H new ATOM 89 N SER A 8 2.295 8.181 7.278 1.00 0.00 N ATOM 90 CA SER A 8 2.247 9.029 6.100 1.00 0.00 C ATOM 91 C SER A 8 1.219 8.475 5.125 1.00 0.00 C ATOM 92 O SER A 8 0.569 9.215 4.391 1.00 0.00 O ATOM 93 CB SER A 8 3.625 9.076 5.441 1.00 0.00 C ATOM 94 OG SER A 8 4.641 9.258 6.415 1.00 0.00 O ATOM 0 H SER A 8 3.161 7.653 7.384 1.00 0.00 H new ATOM 0 HA SER A 8 1.961 10.041 6.388 1.00 0.00 H new ATOM 0 HB2 SER A 8 3.803 8.152 4.892 1.00 0.00 H new ATOM 0 HB3 SER A 8 3.659 9.889 4.716 1.00 0.00 H new ATOM 0 HG SER A 8 5.480 8.870 6.089 1.00 0.00 H new ATOM 100 N VAL A 9 1.065 7.162 5.146 1.00 0.00 N ATOM 101 CA VAL A 9 0.158 6.487 4.265 1.00 0.00 C ATOM 102 C VAL A 9 -0.777 5.570 5.048 1.00 0.00 C ATOM 103 O VAL A 9 -0.436 5.091 6.131 1.00 0.00 O ATOM 104 CB VAL A 9 0.948 5.691 3.213 1.00 0.00 C ATOM 105 CG1 VAL A 9 2.061 4.907 3.861 1.00 0.00 C ATOM 106 CG2 VAL A 9 0.052 4.759 2.439 1.00 0.00 C ATOM 0 H VAL A 9 1.571 6.543 5.779 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.455 7.231 3.756 1.00 0.00 H new ATOM 0 HB VAL A 9 1.377 6.411 2.517 1.00 0.00 H new ATOM 0 HG11 VAL A 9 2.607 4.351 3.098 1.00 0.00 H new ATOM 0 HG12 VAL A 9 2.741 5.592 4.368 1.00 0.00 H new ATOM 0 HG13 VAL A 9 1.641 4.210 4.586 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.643 4.212 1.704 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -0.418 4.053 3.124 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -0.719 5.336 1.928 1.00 0.00 H new ATOM 116 N GLN A 10 -1.961 5.370 4.501 1.00 0.00 N ATOM 117 CA GLN A 10 -2.963 4.503 5.088 1.00 0.00 C ATOM 118 C GLN A 10 -3.710 3.774 3.978 1.00 0.00 C ATOM 119 O GLN A 10 -4.152 4.394 3.013 1.00 0.00 O ATOM 120 CB GLN A 10 -3.936 5.341 5.918 1.00 0.00 C ATOM 121 CG GLN A 10 -5.100 4.557 6.501 1.00 0.00 C ATOM 122 CD GLN A 10 -6.119 5.461 7.162 1.00 0.00 C ATOM 123 OE1 GLN A 10 -6.023 5.764 8.353 1.00 0.00 O ATOM 124 NE2 GLN A 10 -7.105 5.901 6.395 1.00 0.00 N ATOM 0 H GLN A 10 -2.256 5.809 3.629 1.00 0.00 H new ATOM 0 HA GLN A 10 -2.485 3.769 5.737 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -3.387 5.812 6.733 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -4.330 6.143 5.294 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -5.583 3.984 5.710 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -4.725 3.840 7.231 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -7.149 5.627 5.413 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -7.821 6.514 6.786 1.00 0.00 H new ATOM 133 N LEU A 11 -3.822 2.463 4.083 1.00 0.00 N ATOM 134 CA LEU A 11 -4.617 1.708 3.129 1.00 0.00 C ATOM 135 C LEU A 11 -6.095 2.023 3.315 1.00 0.00 C ATOM 136 O LEU A 11 -6.580 2.157 4.440 1.00 0.00 O ATOM 137 CB LEU A 11 -4.403 0.212 3.309 1.00 0.00 C ATOM 138 CG LEU A 11 -5.304 -0.671 2.442 1.00 0.00 C ATOM 139 CD1 LEU A 11 -4.786 -0.740 1.010 1.00 0.00 C ATOM 140 CD2 LEU A 11 -5.416 -2.051 3.060 1.00 0.00 C ATOM 0 H LEU A 11 -3.378 1.902 4.811 1.00 0.00 H new ATOM 0 HA LEU A 11 -4.300 1.995 2.126 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -3.362 -0.022 3.084 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -4.568 -0.042 4.356 1.00 0.00 H new ATOM 0 HG LEU A 11 -6.300 -0.230 2.402 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -5.444 -1.373 0.415 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -4.763 0.262 0.583 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -3.780 -1.158 1.007 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -6.058 -2.676 2.440 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.426 -2.501 3.126 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -5.845 -1.969 4.059 1.00 0.00 H new ATOM 152 N ASP A 12 -6.805 2.142 2.204 1.00 0.00 N ATOM 153 CA ASP A 12 -8.233 2.400 2.240 1.00 0.00 C ATOM 154 C ASP A 12 -8.998 1.091 2.305 1.00 0.00 C ATOM 155 O ASP A 12 -9.660 0.794 3.295 1.00 0.00 O ATOM 156 CB ASP A 12 -8.668 3.189 1.003 1.00 0.00 C ATOM 157 CG ASP A 12 -10.145 3.539 1.027 1.00 0.00 C ATOM 158 OD1 ASP A 12 -10.540 4.434 1.803 1.00 0.00 O ATOM 159 OD2 ASP A 12 -10.920 2.922 0.268 1.00 0.00 O ATOM 0 H ASP A 12 -6.413 2.064 1.265 1.00 0.00 H new ATOM 0 HA ASP A 12 -8.453 2.991 3.129 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -8.082 4.105 0.936 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -8.451 2.605 0.109 1.00 0.00 H new ATOM 164 N SER A 13 -8.863 0.303 1.254 1.00 0.00 N ATOM 165 CA SER A 13 -9.595 -0.962 1.115 1.00 0.00 C ATOM 166 C SER A 13 -9.081 -1.767 -0.066 1.00 0.00 C ATOM 167 O SER A 13 -8.440 -1.226 -0.971 1.00 0.00 O ATOM 168 CB SER A 13 -11.099 -0.721 0.918 1.00 0.00 C ATOM 169 OG SER A 13 -11.716 -0.205 2.086 1.00 0.00 O ATOM 0 H SER A 13 -8.246 0.513 0.469 1.00 0.00 H new ATOM 0 HA SER A 13 -9.433 -1.518 2.038 1.00 0.00 H new ATOM 0 HB2 SER A 13 -11.249 -0.025 0.092 1.00 0.00 H new ATOM 0 HB3 SER A 13 -11.582 -1.657 0.637 1.00 0.00 H new ATOM 0 HG SER A 13 -11.046 -0.110 2.795 1.00 0.00 H new ATOM 175 N TYR A 14 -9.362 -3.063 -0.039 1.00 0.00 N ATOM 176 CA TYR A 14 -9.042 -3.951 -1.139 1.00 0.00 C ATOM 177 C TYR A 14 -9.934 -5.191 -1.067 1.00 0.00 C ATOM 178 O TYR A 14 -10.442 -5.526 0.003 1.00 0.00 O ATOM 179 CB TYR A 14 -7.553 -4.333 -1.103 1.00 0.00 C ATOM 180 CG TYR A 14 -7.133 -5.130 0.116 1.00 0.00 C ATOM 181 CD1 TYR A 14 -7.495 -6.457 0.260 1.00 0.00 C ATOM 182 CD2 TYR A 14 -6.364 -4.555 1.112 1.00 0.00 C ATOM 183 CE1 TYR A 14 -7.111 -7.192 1.362 1.00 0.00 C ATOM 184 CE2 TYR A 14 -5.973 -5.282 2.223 1.00 0.00 C ATOM 185 CZ TYR A 14 -6.351 -6.602 2.342 1.00 0.00 C ATOM 186 OH TYR A 14 -5.966 -7.332 3.443 1.00 0.00 O ATOM 0 H TYR A 14 -9.818 -3.524 0.748 1.00 0.00 H new ATOM 0 HA TYR A 14 -9.229 -3.442 -2.084 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -7.319 -4.911 -1.997 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -6.957 -3.422 -1.147 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -8.091 -6.928 -0.507 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -6.064 -3.522 1.021 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -7.407 -8.227 1.454 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -5.375 -4.817 2.993 1.00 0.00 H new ATOM 0 HH TYR A 14 -5.432 -6.767 4.040 1.00 0.00 H new ATOM 196 N ASN A 15 -10.142 -5.852 -2.195 1.00 0.00 N ATOM 197 CA ASN A 15 -10.905 -7.094 -2.219 1.00 0.00 C ATOM 198 C ASN A 15 -10.017 -8.267 -2.591 1.00 0.00 C ATOM 199 O ASN A 15 -8.994 -8.099 -3.273 1.00 0.00 O ATOM 200 CB ASN A 15 -12.079 -7.021 -3.193 1.00 0.00 C ATOM 201 CG ASN A 15 -13.233 -6.178 -2.683 1.00 0.00 C ATOM 202 OD1 ASN A 15 -13.482 -6.099 -1.480 1.00 0.00 O ATOM 203 ND2 ASN A 15 -13.954 -5.552 -3.601 1.00 0.00 N ATOM 0 H ASN A 15 -9.794 -5.551 -3.106 1.00 0.00 H new ATOM 0 HA ASN A 15 -11.299 -7.241 -1.214 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -11.730 -6.611 -4.141 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -12.437 -8.030 -3.395 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -14.749 -4.978 -3.321 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -13.714 -5.644 -4.588 1.00 0.00 H new ATOM 210 N TYR A 16 -10.444 -9.444 -2.144 1.00 0.00 N ATOM 211 CA TYR A 16 -9.707 -10.694 -2.308 1.00 0.00 C ATOM 212 C TYR A 16 -10.639 -11.884 -2.147 1.00 0.00 C ATOM 213 O TYR A 16 -11.498 -11.861 -1.262 1.00 0.00 O ATOM 214 CB TYR A 16 -8.635 -10.818 -1.233 1.00 0.00 C ATOM 215 CG TYR A 16 -7.256 -10.446 -1.680 1.00 0.00 C ATOM 216 CD1 TYR A 16 -6.712 -10.996 -2.827 1.00 0.00 C ATOM 217 CD2 TYR A 16 -6.488 -9.566 -0.941 1.00 0.00 C ATOM 218 CE1 TYR A 16 -5.439 -10.675 -3.226 1.00 0.00 C ATOM 219 CE2 TYR A 16 -5.214 -9.236 -1.333 1.00 0.00 C ATOM 220 CZ TYR A 16 -4.693 -9.794 -2.479 1.00 0.00 C ATOM 221 OH TYR A 16 -3.417 -9.472 -2.879 1.00 0.00 O ATOM 0 H TYR A 16 -11.328 -9.559 -1.648 1.00 0.00 H new ATOM 0 HA TYR A 16 -9.261 -10.685 -3.303 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -8.911 -10.186 -0.389 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -8.620 -11.846 -0.871 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -7.297 -11.687 -3.416 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -6.896 -9.131 -0.041 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -5.025 -11.112 -4.123 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -4.626 -8.545 -0.748 1.00 0.00 H new ATOM 0 HH TYR A 16 -3.394 -8.539 -3.179 1.00 0.00 H new ATOM 231 N ASP A 17 -10.482 -12.918 -2.983 1.00 0.00 N ATOM 232 CA ASP A 17 -11.144 -14.202 -2.711 1.00 0.00 C ATOM 233 C ASP A 17 -10.750 -15.270 -3.719 1.00 0.00 C ATOM 234 O ASP A 17 -11.567 -15.674 -4.546 1.00 0.00 O ATOM 235 CB ASP A 17 -12.669 -14.044 -2.710 1.00 0.00 C ATOM 236 CG ASP A 17 -13.385 -15.259 -2.158 1.00 0.00 C ATOM 237 OD1 ASP A 17 -13.526 -15.352 -0.923 1.00 0.00 O ATOM 238 OD2 ASP A 17 -13.819 -16.119 -2.953 1.00 0.00 O ATOM 0 H ASP A 17 -9.918 -12.895 -3.832 1.00 0.00 H new ATOM 0 HA ASP A 17 -10.812 -14.522 -1.723 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -12.939 -13.169 -2.118 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -13.011 -13.858 -3.728 1.00 0.00 H new ATOM 243 N GLY A 18 -9.509 -15.746 -3.637 1.00 0.00 N ATOM 244 CA GLY A 18 -8.991 -16.621 -4.681 1.00 0.00 C ATOM 245 C GLY A 18 -9.211 -15.960 -6.017 1.00 0.00 C ATOM 246 O GLY A 18 -9.557 -16.590 -7.015 1.00 0.00 O ATOM 0 H GLY A 18 -8.859 -15.546 -2.877 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -7.929 -16.810 -4.523 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -9.495 -17.587 -4.649 1.00 0.00 H new ATOM 250 N SER A 19 -9.007 -14.661 -5.989 1.00 0.00 N ATOM 251 CA SER A 19 -9.473 -13.753 -6.938 1.00 0.00 C ATOM 252 C SER A 19 -8.546 -12.578 -6.861 1.00 0.00 C ATOM 253 O SER A 19 -7.835 -12.374 -5.874 1.00 0.00 O ATOM 254 CB SER A 19 -10.905 -13.335 -6.628 1.00 0.00 C ATOM 255 OG SER A 19 -11.806 -14.415 -6.816 1.00 0.00 O ATOM 0 H SER A 19 -8.474 -14.212 -5.244 1.00 0.00 H new ATOM 0 HA SER A 19 -9.487 -14.188 -7.938 1.00 0.00 H new ATOM 0 HB2 SER A 19 -10.969 -12.980 -5.600 1.00 0.00 H new ATOM 0 HB3 SER A 19 -11.191 -12.503 -7.271 1.00 0.00 H new ATOM 0 HG SER A 19 -11.728 -15.040 -6.065 1.00 0.00 H new ATOM 261 N THR A 20 -8.561 -11.871 -7.907 1.00 0.00 N ATOM 262 CA THR A 20 -7.671 -10.767 -8.162 1.00 0.00 C ATOM 263 C THR A 20 -7.824 -9.677 -7.102 1.00 0.00 C ATOM 264 O THR A 20 -8.926 -9.398 -6.627 1.00 0.00 O ATOM 265 CB THR A 20 -8.011 -10.194 -9.546 1.00 0.00 C ATOM 266 OG1 THR A 20 -7.730 -11.171 -10.556 1.00 0.00 O ATOM 267 CG2 THR A 20 -7.256 -8.911 -9.846 1.00 0.00 C ATOM 0 H THR A 20 -9.221 -12.034 -8.667 1.00 0.00 H new ATOM 0 HA THR A 20 -6.640 -11.118 -8.129 1.00 0.00 H new ATOM 0 HB THR A 20 -9.073 -9.950 -9.544 1.00 0.00 H new ATOM 0 HG1 THR A 20 -7.950 -10.803 -11.437 1.00 0.00 H new ATOM 0 HG21 THR A 20 -7.533 -8.549 -10.836 1.00 0.00 H new ATOM 0 HG22 THR A 20 -7.508 -8.157 -9.100 1.00 0.00 H new ATOM 0 HG23 THR A 20 -6.184 -9.105 -9.818 1.00 0.00 H new ATOM 275 N PHE A 21 -6.703 -9.057 -6.759 1.00 0.00 N ATOM 276 CA PHE A 21 -6.670 -8.017 -5.755 1.00 0.00 C ATOM 277 C PHE A 21 -7.170 -6.766 -6.408 1.00 0.00 C ATOM 278 O PHE A 21 -6.919 -6.532 -7.578 1.00 0.00 O ATOM 279 CB PHE A 21 -5.220 -7.802 -5.265 1.00 0.00 C ATOM 280 CG PHE A 21 -4.978 -6.582 -4.394 1.00 0.00 C ATOM 281 CD1 PHE A 21 -5.054 -5.295 -4.906 1.00 0.00 C ATOM 282 CD2 PHE A 21 -4.657 -6.734 -3.061 1.00 0.00 C ATOM 283 CE1 PHE A 21 -4.821 -4.195 -4.102 1.00 0.00 C ATOM 284 CE2 PHE A 21 -4.419 -5.642 -2.250 1.00 0.00 C ATOM 285 CZ PHE A 21 -4.502 -4.370 -2.772 1.00 0.00 C ATOM 0 H PHE A 21 -5.794 -9.265 -7.172 1.00 0.00 H new ATOM 0 HA PHE A 21 -7.284 -8.287 -4.896 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -4.913 -8.687 -4.708 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -4.571 -7.734 -6.138 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -5.299 -5.150 -5.948 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -4.590 -7.728 -2.643 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -4.889 -3.199 -4.515 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -4.168 -5.785 -1.209 1.00 0.00 H new ATOM 0 HZ PHE A 21 -4.318 -3.513 -2.142 1.00 0.00 H new ATOM 295 N SER A 22 -7.918 -5.998 -5.678 1.00 0.00 N ATOM 296 CA SER A 22 -8.431 -4.747 -6.207 1.00 0.00 C ATOM 297 C SER A 22 -8.874 -3.834 -5.087 1.00 0.00 C ATOM 298 O SER A 22 -9.684 -4.213 -4.246 1.00 0.00 O ATOM 299 CB SER A 22 -9.578 -5.015 -7.175 1.00 0.00 C ATOM 300 OG SER A 22 -9.112 -5.475 -8.430 1.00 0.00 O ATOM 0 H SER A 22 -8.193 -6.203 -4.717 1.00 0.00 H new ATOM 0 HA SER A 22 -7.631 -4.246 -6.751 1.00 0.00 H new ATOM 0 HB2 SER A 22 -10.251 -5.756 -6.744 1.00 0.00 H new ATOM 0 HB3 SER A 22 -10.156 -4.102 -7.315 1.00 0.00 H new ATOM 0 HG SER A 22 -8.145 -5.629 -8.383 1.00 0.00 H new ATOM 306 N GLY A 23 -8.328 -2.637 -5.080 1.00 0.00 N ATOM 307 CA GLY A 23 -8.616 -1.698 -4.029 1.00 0.00 C ATOM 308 C GLY A 23 -7.961 -0.371 -4.291 1.00 0.00 C ATOM 309 O GLY A 23 -7.702 -0.018 -5.442 1.00 0.00 O ATOM 0 H GLY A 23 -7.683 -2.295 -5.792 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -9.694 -1.564 -3.943 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -8.268 -2.097 -3.076 1.00 0.00 H new ATOM 313 N LYS A 24 -7.672 0.363 -3.233 1.00 0.00 N ATOM 314 CA LYS A 24 -7.083 1.676 -3.378 1.00 0.00 C ATOM 315 C LYS A 24 -6.398 2.124 -2.089 1.00 0.00 C ATOM 316 O LYS A 24 -6.634 1.562 -1.014 1.00 0.00 O ATOM 317 CB LYS A 24 -8.136 2.691 -3.838 1.00 0.00 C ATOM 318 CG LYS A 24 -9.290 2.934 -2.871 1.00 0.00 C ATOM 319 CD LYS A 24 -10.347 1.842 -2.941 1.00 0.00 C ATOM 320 CE LYS A 24 -11.737 2.436 -3.084 1.00 0.00 C ATOM 321 NZ LYS A 24 -11.989 3.509 -2.085 1.00 0.00 N ATOM 0 H LYS A 24 -7.835 0.072 -2.269 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.313 1.619 -4.147 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -7.638 3.642 -4.027 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -8.548 2.353 -4.789 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -8.902 2.995 -1.854 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -9.751 3.896 -3.094 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -10.140 1.185 -3.786 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -10.301 1.229 -2.041 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -11.857 2.841 -4.089 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -12.482 1.649 -2.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -13.007 3.560 -1.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -11.469 3.297 -1.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -11.667 4.421 -2.467 1.00 0.00 H new ATOM 335 N ILE A 25 -5.551 3.139 -2.210 1.00 0.00 N ATOM 336 CA ILE A 25 -4.667 3.549 -1.128 1.00 0.00 C ATOM 337 C ILE A 25 -4.814 5.049 -0.849 1.00 0.00 C ATOM 338 O ILE A 25 -5.232 5.814 -1.720 1.00 0.00 O ATOM 339 CB ILE A 25 -3.194 3.216 -1.474 1.00 0.00 C ATOM 340 CG1 ILE A 25 -3.087 1.777 -1.989 1.00 0.00 C ATOM 341 CG2 ILE A 25 -2.291 3.405 -0.261 1.00 0.00 C ATOM 342 CD1 ILE A 25 -1.694 1.392 -2.441 1.00 0.00 C ATOM 0 H ILE A 25 -5.458 3.699 -3.058 1.00 0.00 H new ATOM 0 HA ILE A 25 -4.950 2.998 -0.231 1.00 0.00 H new ATOM 0 HB ILE A 25 -2.865 3.902 -2.255 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -3.405 1.094 -1.201 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -3.778 1.647 -2.822 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -1.263 3.164 -0.532 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -2.345 4.441 0.075 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -2.618 2.745 0.543 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -1.698 0.360 -2.792 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -1.380 2.050 -3.251 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -1.001 1.489 -1.606 1.00 0.00 H new ATOM 354 N TYR A 26 -4.459 5.454 0.362 1.00 0.00 N ATOM 355 CA TYR A 26 -4.682 6.811 0.845 1.00 0.00 C ATOM 356 C TYR A 26 -3.395 7.345 1.502 1.00 0.00 C ATOM 357 O TYR A 26 -3.038 6.914 2.592 1.00 0.00 O ATOM 358 CB TYR A 26 -5.822 6.726 1.867 1.00 0.00 C ATOM 359 CG TYR A 26 -6.503 8.024 2.208 1.00 0.00 C ATOM 360 CD1 TYR A 26 -5.869 8.974 2.982 1.00 0.00 C ATOM 361 CD2 TYR A 26 -7.803 8.277 1.787 1.00 0.00 C ATOM 362 CE1 TYR A 26 -6.506 10.149 3.328 1.00 0.00 C ATOM 363 CE2 TYR A 26 -8.446 9.452 2.123 1.00 0.00 C ATOM 364 CZ TYR A 26 -7.793 10.385 2.895 1.00 0.00 C ATOM 365 OH TYR A 26 -8.428 11.556 3.242 1.00 0.00 O ATOM 0 H TYR A 26 -4.004 4.846 1.043 1.00 0.00 H new ATOM 0 HA TYR A 26 -4.943 7.492 0.035 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -6.573 6.034 1.486 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -5.427 6.294 2.786 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -4.860 8.796 3.322 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -8.319 7.542 1.187 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -5.997 10.882 3.937 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -9.454 9.637 1.782 1.00 0.00 H new ATOM 0 HH TYR A 26 -9.329 11.567 2.856 1.00 0.00 H new ATOM 375 N VAL A 27 -2.683 8.276 0.858 1.00 0.00 N ATOM 376 CA VAL A 27 -1.364 8.680 1.370 1.00 0.00 C ATOM 377 C VAL A 27 -1.193 10.198 1.389 1.00 0.00 C ATOM 378 O VAL A 27 -1.807 10.912 0.604 1.00 0.00 O ATOM 379 CB VAL A 27 -0.193 8.051 0.556 1.00 0.00 C ATOM 380 CG1 VAL A 27 -0.616 6.765 -0.139 1.00 0.00 C ATOM 381 CG2 VAL A 27 0.399 9.036 -0.448 1.00 0.00 C ATOM 0 H VAL A 27 -2.983 8.753 0.008 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.324 8.304 2.392 1.00 0.00 H new ATOM 0 HB VAL A 27 0.587 7.803 1.276 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.228 6.358 -0.696 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.943 6.040 0.606 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.436 6.975 -0.826 1.00 0.00 H new ATOM 0 HG21 VAL A 27 1.212 8.556 -0.993 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.374 9.349 -1.150 1.00 0.00 H new ATOM 0 HG23 VAL A 27 0.783 9.908 0.081 1.00 0.00 H new ATOM 391 N LYS A 28 -0.363 10.676 2.311 1.00 0.00 N ATOM 392 CA LYS A 28 0.020 12.079 2.361 1.00 0.00 C ATOM 393 C LYS A 28 1.040 12.357 1.271 1.00 0.00 C ATOM 394 O LYS A 28 2.023 11.633 1.142 1.00 0.00 O ATOM 395 CB LYS A 28 0.621 12.419 3.734 1.00 0.00 C ATOM 396 CG LYS A 28 1.110 13.855 3.863 1.00 0.00 C ATOM 397 CD LYS A 28 -0.036 14.843 3.756 1.00 0.00 C ATOM 398 CE LYS A 28 0.445 16.284 3.760 1.00 0.00 C ATOM 399 NZ LYS A 28 1.107 16.661 5.037 1.00 0.00 N ATOM 0 H LYS A 28 0.060 10.103 3.041 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.864 12.698 2.205 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -0.129 12.232 4.503 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.454 11.744 3.931 1.00 0.00 H new ATOM 0 HG2 LYS A 28 1.615 13.984 4.820 1.00 0.00 H new ATOM 0 HG3 LYS A 28 1.844 14.062 3.085 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -0.594 14.651 2.840 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.724 14.689 4.587 1.00 0.00 H new ATOM 0 HE2 LYS A 28 1.142 16.433 2.936 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -0.402 16.947 3.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 1.356 17.671 5.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 0.459 16.482 5.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 1.970 16.095 5.161 1.00 0.00 H new ATOM 413 N ASN A 29 0.803 13.383 0.477 1.00 0.00 N ATOM 414 CA ASN A 29 1.739 13.740 -0.575 1.00 0.00 C ATOM 415 C ASN A 29 2.823 14.668 -0.030 1.00 0.00 C ATOM 416 O ASN A 29 2.600 15.856 0.195 1.00 0.00 O ATOM 417 CB ASN A 29 1.017 14.361 -1.784 1.00 0.00 C ATOM 418 CG ASN A 29 0.236 15.623 -1.468 1.00 0.00 C ATOM 419 OD1 ASN A 29 -0.270 15.808 -0.363 1.00 0.00 O ATOM 420 ND2 ASN A 29 0.130 16.501 -2.452 1.00 0.00 N ATOM 0 H ASN A 29 -0.022 13.980 0.538 1.00 0.00 H new ATOM 0 HA ASN A 29 2.220 12.828 -0.927 1.00 0.00 H new ATOM 0 HB2 ASN A 29 1.754 14.588 -2.554 1.00 0.00 H new ATOM 0 HB3 ASN A 29 0.335 13.622 -2.203 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -0.386 17.369 -2.308 1.00 0.00 H new ATOM 0 HD22 ASN A 29 0.565 16.310 -3.355 1.00 0.00 H new ATOM 427 N ILE A 30 4.009 14.100 0.184 1.00 0.00 N ATOM 428 CA ILE A 30 5.125 14.839 0.764 1.00 0.00 C ATOM 429 C ILE A 30 5.665 15.803 -0.271 1.00 0.00 C ATOM 430 O ILE A 30 5.665 17.019 -0.079 1.00 0.00 O ATOM 431 CB ILE A 30 6.272 13.903 1.216 1.00 0.00 C ATOM 432 CG1 ILE A 30 5.729 12.677 1.962 1.00 0.00 C ATOM 433 CG2 ILE A 30 7.264 14.665 2.085 1.00 0.00 C ATOM 434 CD1 ILE A 30 4.869 13.003 3.162 1.00 0.00 C ATOM 0 H ILE A 30 4.220 13.127 -0.037 1.00 0.00 H new ATOM 0 HA ILE A 30 4.755 15.367 1.643 1.00 0.00 H new ATOM 0 HB ILE A 30 6.789 13.546 0.325 1.00 0.00 H new ATOM 0 HG12 ILE A 30 5.146 12.073 1.267 1.00 0.00 H new ATOM 0 HG13 ILE A 30 6.569 12.065 2.289 1.00 0.00 H new ATOM 0 HG21 ILE A 30 8.065 13.995 2.396 1.00 0.00 H new ATOM 0 HG22 ILE A 30 7.685 15.494 1.516 1.00 0.00 H new ATOM 0 HG23 ILE A 30 6.753 15.053 2.966 1.00 0.00 H new ATOM 0 HD11 ILE A 30 4.529 12.078 3.628 1.00 0.00 H new ATOM 0 HD12 ILE A 30 5.451 13.579 3.881 1.00 0.00 H new ATOM 0 HD13 ILE A 30 4.006 13.587 2.843 1.00 0.00 H new ATOM 446 N ALA A 31 6.113 15.230 -1.373 1.00 0.00 N ATOM 447 CA ALA A 31 6.511 15.984 -2.533 1.00 0.00 C ATOM 448 C ALA A 31 5.481 15.747 -3.629 1.00 0.00 C ATOM 449 O ALA A 31 4.275 15.734 -3.356 1.00 0.00 O ATOM 450 CB ALA A 31 7.906 15.562 -2.976 1.00 0.00 C ATOM 0 H ALA A 31 6.209 14.220 -1.482 1.00 0.00 H new ATOM 0 HA ALA A 31 6.552 17.049 -2.305 1.00 0.00 H new ATOM 0 HB1 ALA A 31 8.199 16.138 -3.854 1.00 0.00 H new ATOM 0 HB2 ALA A 31 8.615 15.746 -2.169 1.00 0.00 H new ATOM 0 HB3 ALA A 31 7.904 14.500 -3.222 1.00 0.00 H new ATOM 456 N TYR A 32 5.928 15.504 -4.843 1.00 0.00 N ATOM 457 CA TYR A 32 5.003 15.303 -5.939 1.00 0.00 C ATOM 458 C TYR A 32 5.193 13.931 -6.569 1.00 0.00 C ATOM 459 O TYR A 32 4.237 13.163 -6.680 1.00 0.00 O ATOM 460 CB TYR A 32 5.187 16.418 -6.948 1.00 0.00 C ATOM 461 CG TYR A 32 4.086 16.514 -7.980 1.00 0.00 C ATOM 462 CD1 TYR A 32 2.764 16.688 -7.593 1.00 0.00 C ATOM 463 CD2 TYR A 32 4.371 16.454 -9.337 1.00 0.00 C ATOM 464 CE1 TYR A 32 1.755 16.797 -8.531 1.00 0.00 C ATOM 465 CE2 TYR A 32 3.368 16.558 -10.280 1.00 0.00 C ATOM 466 CZ TYR A 32 2.063 16.731 -9.873 1.00 0.00 C ATOM 467 OH TYR A 32 1.062 16.848 -10.813 1.00 0.00 O ATOM 0 H TYR A 32 6.914 15.441 -5.095 1.00 0.00 H new ATOM 0 HA TYR A 32 3.980 15.334 -5.565 1.00 0.00 H new ATOM 0 HB2 TYR A 32 5.253 17.367 -6.415 1.00 0.00 H new ATOM 0 HB3 TYR A 32 6.138 16.274 -7.461 1.00 0.00 H new ATOM 0 HD1 TYR A 32 2.520 16.739 -6.542 1.00 0.00 H new ATOM 0 HD2 TYR A 32 5.393 16.324 -9.660 1.00 0.00 H new ATOM 0 HE1 TYR A 32 0.731 16.933 -8.215 1.00 0.00 H new ATOM 0 HE2 TYR A 32 3.605 16.504 -11.332 1.00 0.00 H new ATOM 0 HH TYR A 32 1.448 16.781 -11.711 1.00 0.00 H new ATOM 477 N SER A 33 6.420 13.610 -6.941 1.00 0.00 N ATOM 478 CA SER A 33 6.714 12.308 -7.519 1.00 0.00 C ATOM 479 C SER A 33 6.790 11.257 -6.412 1.00 0.00 C ATOM 480 O SER A 33 7.633 11.345 -5.516 1.00 0.00 O ATOM 481 CB SER A 33 8.028 12.361 -8.304 1.00 0.00 C ATOM 482 OG SER A 33 8.221 11.178 -9.059 1.00 0.00 O ATOM 0 H SER A 33 7.226 14.229 -6.854 1.00 0.00 H new ATOM 0 HA SER A 33 5.915 12.034 -8.208 1.00 0.00 H new ATOM 0 HB2 SER A 33 8.022 13.224 -8.970 1.00 0.00 H new ATOM 0 HB3 SER A 33 8.861 12.496 -7.615 1.00 0.00 H new ATOM 0 HG SER A 33 9.066 11.239 -9.552 1.00 0.00 H new ATOM 488 N LYS A 34 5.879 10.292 -6.448 1.00 0.00 N ATOM 489 CA LYS A 34 5.843 9.244 -5.451 1.00 0.00 C ATOM 490 C LYS A 34 6.099 7.894 -6.087 1.00 0.00 C ATOM 491 O LYS A 34 6.047 7.743 -7.309 1.00 0.00 O ATOM 492 CB LYS A 34 4.477 9.186 -4.790 1.00 0.00 C ATOM 493 CG LYS A 34 3.886 10.526 -4.424 1.00 0.00 C ATOM 494 CD LYS A 34 4.715 11.279 -3.406 1.00 0.00 C ATOM 495 CE LYS A 34 3.967 12.506 -2.921 1.00 0.00 C ATOM 496 NZ LYS A 34 3.233 13.187 -4.026 1.00 0.00 N ATOM 0 H LYS A 34 5.155 10.219 -7.163 1.00 0.00 H new ATOM 0 HA LYS A 34 6.614 9.469 -4.714 1.00 0.00 H new ATOM 0 HB2 LYS A 34 3.787 8.673 -5.460 1.00 0.00 H new ATOM 0 HB3 LYS A 34 4.553 8.581 -3.887 1.00 0.00 H new ATOM 0 HG2 LYS A 34 3.788 11.132 -5.325 1.00 0.00 H new ATOM 0 HG3 LYS A 34 2.881 10.378 -4.028 1.00 0.00 H new ATOM 0 HD2 LYS A 34 4.946 10.629 -2.562 1.00 0.00 H new ATOM 0 HD3 LYS A 34 5.666 11.576 -3.849 1.00 0.00 H new ATOM 0 HE2 LYS A 34 3.262 12.216 -2.142 1.00 0.00 H new ATOM 0 HE3 LYS A 34 4.671 13.205 -2.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 3.262 14.216 -3.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 3.681 12.954 -4.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 2.244 12.866 -4.035 1.00 0.00 H new ATOM 510 N LYS A 35 6.346 6.911 -5.243 1.00 0.00 N ATOM 511 CA LYS A 35 6.478 5.535 -5.677 1.00 0.00 C ATOM 512 C LYS A 35 5.771 4.620 -4.701 1.00 0.00 C ATOM 513 O LYS A 35 6.310 4.265 -3.655 1.00 0.00 O ATOM 514 CB LYS A 35 7.944 5.138 -5.805 1.00 0.00 C ATOM 515 CG LYS A 35 8.670 5.937 -6.863 1.00 0.00 C ATOM 516 CD LYS A 35 10.103 5.464 -7.074 1.00 0.00 C ATOM 517 CE LYS A 35 10.184 4.148 -7.843 1.00 0.00 C ATOM 518 NZ LYS A 35 9.653 2.992 -7.069 1.00 0.00 N ATOM 0 H LYS A 35 6.461 7.044 -4.238 1.00 0.00 H new ATOM 0 HA LYS A 35 6.017 5.438 -6.660 1.00 0.00 H new ATOM 0 HB2 LYS A 35 8.440 5.278 -4.845 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.010 4.077 -6.046 1.00 0.00 H new ATOM 0 HG2 LYS A 35 8.125 5.866 -7.804 1.00 0.00 H new ATOM 0 HG3 LYS A 35 8.677 6.989 -6.578 1.00 0.00 H new ATOM 0 HD2 LYS A 35 10.658 6.230 -7.615 1.00 0.00 H new ATOM 0 HD3 LYS A 35 10.588 5.344 -6.105 1.00 0.00 H new ATOM 0 HE2 LYS A 35 9.626 4.242 -8.775 1.00 0.00 H new ATOM 0 HE3 LYS A 35 11.222 3.953 -8.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 10.091 2.114 -7.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 9.874 3.118 -6.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 8.622 2.936 -7.193 1.00 0.00 H new ATOM 532 N VAL A 36 4.558 4.244 -5.031 1.00 0.00 N ATOM 533 CA VAL A 36 3.797 3.403 -4.134 1.00 0.00 C ATOM 534 C VAL A 36 3.873 1.960 -4.563 1.00 0.00 C ATOM 535 O VAL A 36 3.551 1.600 -5.696 1.00 0.00 O ATOM 536 CB VAL A 36 2.334 3.849 -3.970 1.00 0.00 C ATOM 537 CG1 VAL A 36 1.539 2.767 -3.280 1.00 0.00 C ATOM 538 CG2 VAL A 36 2.276 5.116 -3.147 1.00 0.00 C ATOM 0 H VAL A 36 4.083 4.500 -5.896 1.00 0.00 H new ATOM 0 HA VAL A 36 4.258 3.509 -3.152 1.00 0.00 H new ATOM 0 HB VAL A 36 1.908 4.035 -4.956 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.504 3.091 -3.168 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.571 1.855 -3.877 1.00 0.00 H new ATOM 0 HG13 VAL A 36 1.967 2.572 -2.297 1.00 0.00 H new ATOM 0 HG21 VAL A 36 1.238 5.429 -3.033 1.00 0.00 H new ATOM 0 HG22 VAL A 36 2.709 4.932 -2.164 1.00 0.00 H new ATOM 0 HG23 VAL A 36 2.839 5.903 -3.650 1.00 0.00 H new ATOM 548 N THR A 37 4.309 1.140 -3.630 1.00 0.00 N ATOM 549 CA THR A 37 4.643 -0.224 -3.915 1.00 0.00 C ATOM 550 C THR A 37 4.021 -1.153 -2.888 1.00 0.00 C ATOM 551 O THR A 37 4.324 -1.069 -1.695 1.00 0.00 O ATOM 552 CB THR A 37 6.174 -0.385 -3.918 1.00 0.00 C ATOM 553 OG1 THR A 37 6.719 0.083 -2.675 1.00 0.00 O ATOM 554 CG2 THR A 37 6.796 0.404 -5.056 1.00 0.00 C ATOM 0 H THR A 37 4.439 1.408 -2.655 1.00 0.00 H new ATOM 0 HA THR A 37 4.248 -0.488 -4.896 1.00 0.00 H new ATOM 0 HB THR A 37 6.402 -1.443 -4.049 1.00 0.00 H new ATOM 0 HG1 THR A 37 7.334 0.826 -2.847 1.00 0.00 H new ATOM 0 HG21 THR A 37 7.878 0.276 -5.039 1.00 0.00 H new ATOM 0 HG22 THR A 37 6.403 0.043 -6.006 1.00 0.00 H new ATOM 0 HG23 THR A 37 6.554 1.461 -4.941 1.00 0.00 H new ATOM 562 N VAL A 38 3.126 -2.012 -3.340 1.00 0.00 N ATOM 563 CA VAL A 38 2.587 -3.032 -2.471 1.00 0.00 C ATOM 564 C VAL A 38 3.505 -4.218 -2.461 1.00 0.00 C ATOM 565 O VAL A 38 3.950 -4.689 -3.503 1.00 0.00 O ATOM 566 CB VAL A 38 1.184 -3.504 -2.881 1.00 0.00 C ATOM 567 CG1 VAL A 38 0.779 -4.773 -2.133 1.00 0.00 C ATOM 568 CG2 VAL A 38 0.172 -2.427 -2.613 1.00 0.00 C ATOM 0 H VAL A 38 2.763 -2.022 -4.293 1.00 0.00 H new ATOM 0 HA VAL A 38 2.505 -2.582 -1.482 1.00 0.00 H new ATOM 0 HB VAL A 38 1.213 -3.725 -3.948 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -0.219 -5.078 -2.448 1.00 0.00 H new ATOM 0 HG12 VAL A 38 1.489 -5.569 -2.356 1.00 0.00 H new ATOM 0 HG13 VAL A 38 0.777 -4.578 -1.061 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -0.817 -2.776 -2.909 1.00 0.00 H new ATOM 0 HG22 VAL A 38 0.169 -2.187 -1.550 1.00 0.00 H new ATOM 0 HG23 VAL A 38 0.429 -1.536 -3.186 1.00 0.00 H new ATOM 578 N VAL A 39 3.782 -4.685 -1.283 1.00 0.00 N ATOM 579 CA VAL A 39 4.566 -5.888 -1.117 1.00 0.00 C ATOM 580 C VAL A 39 3.741 -6.919 -0.406 1.00 0.00 C ATOM 581 O VAL A 39 3.410 -6.744 0.764 1.00 0.00 O ATOM 582 CB VAL A 39 5.875 -5.662 -0.331 1.00 0.00 C ATOM 583 CG1 VAL A 39 7.050 -5.519 -1.285 1.00 0.00 C ATOM 584 CG2 VAL A 39 5.767 -4.436 0.556 1.00 0.00 C ATOM 0 H VAL A 39 3.478 -4.253 -0.410 1.00 0.00 H new ATOM 0 HA VAL A 39 4.847 -6.223 -2.116 1.00 0.00 H new ATOM 0 HB VAL A 39 6.043 -6.532 0.304 1.00 0.00 H new ATOM 0 HG11 VAL A 39 7.965 -5.360 -0.714 1.00 0.00 H new ATOM 0 HG12 VAL A 39 7.147 -6.426 -1.881 1.00 0.00 H new ATOM 0 HG13 VAL A 39 6.882 -4.668 -1.945 1.00 0.00 H new ATOM 0 HG21 VAL A 39 6.701 -4.297 1.100 1.00 0.00 H new ATOM 0 HG22 VAL A 39 5.571 -3.558 -0.059 1.00 0.00 H new ATOM 0 HG23 VAL A 39 4.951 -4.571 1.266 1.00 0.00 H new ATOM 594 N TYR A 40 3.377 -7.980 -1.101 1.00 0.00 N ATOM 595 CA TYR A 40 2.675 -9.050 -0.437 1.00 0.00 C ATOM 596 C TYR A 40 3.488 -10.293 -0.430 1.00 0.00 C ATOM 597 O TYR A 40 4.183 -10.641 -1.391 1.00 0.00 O ATOM 598 CB TYR A 40 1.295 -9.340 -1.009 1.00 0.00 C ATOM 599 CG TYR A 40 1.256 -10.230 -2.240 1.00 0.00 C ATOM 600 CD1 TYR A 40 1.306 -11.619 -2.160 1.00 0.00 C ATOM 601 CD2 TYR A 40 1.132 -9.665 -3.474 1.00 0.00 C ATOM 602 CE1 TYR A 40 1.242 -12.401 -3.300 1.00 0.00 C ATOM 603 CE2 TYR A 40 1.060 -10.426 -4.621 1.00 0.00 C ATOM 604 CZ TYR A 40 1.119 -11.796 -4.531 1.00 0.00 C ATOM 605 OH TYR A 40 1.041 -12.563 -5.675 1.00 0.00 O ATOM 0 H TYR A 40 3.551 -8.119 -2.096 1.00 0.00 H new ATOM 0 HA TYR A 40 2.519 -8.700 0.583 1.00 0.00 H new ATOM 0 HB2 TYR A 40 0.691 -9.805 -0.230 1.00 0.00 H new ATOM 0 HB3 TYR A 40 0.820 -8.391 -1.256 1.00 0.00 H new ATOM 0 HD1 TYR A 40 1.396 -12.093 -1.194 1.00 0.00 H new ATOM 0 HD2 TYR A 40 1.089 -8.589 -3.556 1.00 0.00 H new ATOM 0 HE1 TYR A 40 1.288 -13.477 -3.225 1.00 0.00 H new ATOM 0 HE2 TYR A 40 0.958 -9.949 -5.584 1.00 0.00 H new ATOM 0 HH TYR A 40 1.688 -13.297 -5.622 1.00 0.00 H new ATOM 615 N ALA A 41 3.414 -10.932 0.694 1.00 0.00 N ATOM 616 CA ALA A 41 4.139 -12.111 0.934 1.00 0.00 C ATOM 617 C ALA A 41 3.318 -13.261 0.411 1.00 0.00 C ATOM 618 O ALA A 41 2.268 -13.615 0.969 1.00 0.00 O ATOM 619 CB ALA A 41 4.446 -12.189 2.405 1.00 0.00 C ATOM 0 H ALA A 41 2.833 -10.633 1.477 1.00 0.00 H new ATOM 0 HA ALA A 41 5.099 -12.138 0.419 1.00 0.00 H new ATOM 0 HB1 ALA A 41 5.009 -13.099 2.611 1.00 0.00 H new ATOM 0 HB2 ALA A 41 5.037 -11.322 2.700 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.514 -12.203 2.971 1.00 0.00 H new ATOM 625 N ASP A 42 3.779 -13.704 -0.750 1.00 0.00 N ATOM 626 CA ASP A 42 3.149 -14.746 -1.588 1.00 0.00 C ATOM 627 C ASP A 42 2.746 -16.013 -0.807 1.00 0.00 C ATOM 628 O ASP A 42 2.783 -16.039 0.417 1.00 0.00 O ATOM 629 CB ASP A 42 4.136 -15.123 -2.702 1.00 0.00 C ATOM 630 CG ASP A 42 3.479 -15.661 -3.963 1.00 0.00 C ATOM 631 OD1 ASP A 42 3.207 -16.879 -4.025 1.00 0.00 O ATOM 632 OD2 ASP A 42 3.284 -14.875 -4.912 1.00 0.00 O ATOM 0 H ASP A 42 4.638 -13.340 -1.162 1.00 0.00 H new ATOM 0 HA ASP A 42 2.223 -14.331 -1.987 1.00 0.00 H new ATOM 0 HB2 ASP A 42 4.727 -14.244 -2.961 1.00 0.00 H new ATOM 0 HB3 ASP A 42 4.829 -15.872 -2.319 1.00 0.00 H new ATOM 637 N GLY A 43 2.393 -17.079 -1.529 1.00 0.00 N ATOM 638 CA GLY A 43 1.950 -18.319 -0.898 1.00 0.00 C ATOM 639 C GLY A 43 2.984 -18.887 0.056 1.00 0.00 C ATOM 640 O GLY A 43 2.667 -19.706 0.920 1.00 0.00 O ATOM 0 H GLY A 43 2.406 -17.106 -2.549 1.00 0.00 H new ATOM 0 HA2 GLY A 43 1.022 -18.136 -0.356 1.00 0.00 H new ATOM 0 HA3 GLY A 43 1.728 -19.056 -1.669 1.00 0.00 H new ATOM 644 N SER A 44 4.214 -18.427 -0.094 1.00 0.00 N ATOM 645 CA SER A 44 5.305 -18.795 0.790 1.00 0.00 C ATOM 646 C SER A 44 5.065 -18.259 2.202 1.00 0.00 C ATOM 647 O SER A 44 5.712 -18.686 3.157 1.00 0.00 O ATOM 648 CB SER A 44 6.607 -18.220 0.237 1.00 0.00 C ATOM 649 OG SER A 44 7.722 -18.566 1.039 1.00 0.00 O ATOM 0 H SER A 44 4.485 -17.784 -0.838 1.00 0.00 H new ATOM 0 HA SER A 44 5.367 -19.882 0.843 1.00 0.00 H new ATOM 0 HB2 SER A 44 6.763 -18.586 -0.778 1.00 0.00 H new ATOM 0 HB3 SER A 44 6.527 -17.135 0.176 1.00 0.00 H new ATOM 0 HG SER A 44 8.357 -19.090 0.508 1.00 0.00 H new ATOM 655 N ASP A 45 4.136 -17.297 2.288 1.00 0.00 N ATOM 656 CA ASP A 45 3.747 -16.619 3.535 1.00 0.00 C ATOM 657 C ASP A 45 4.971 -16.093 4.262 1.00 0.00 C ATOM 658 O ASP A 45 5.003 -15.997 5.485 1.00 0.00 O ATOM 659 CB ASP A 45 2.875 -17.512 4.454 1.00 0.00 C ATOM 660 CG ASP A 45 3.588 -18.703 5.082 1.00 0.00 C ATOM 661 OD1 ASP A 45 4.182 -18.546 6.167 1.00 0.00 O ATOM 662 OD2 ASP A 45 3.518 -19.813 4.510 1.00 0.00 O ATOM 0 H ASP A 45 3.621 -16.960 1.474 1.00 0.00 H new ATOM 0 HA ASP A 45 3.122 -15.770 3.259 1.00 0.00 H new ATOM 0 HB2 ASP A 45 2.468 -16.892 5.253 1.00 0.00 H new ATOM 0 HB3 ASP A 45 2.029 -17.882 3.875 1.00 0.00 H new ATOM 667 N ASN A 46 5.954 -15.683 3.475 1.00 0.00 N ATOM 668 CA ASN A 46 7.264 -15.358 4.003 1.00 0.00 C ATOM 669 C ASN A 46 8.035 -14.555 2.978 1.00 0.00 C ATOM 670 O ASN A 46 7.952 -14.836 1.780 1.00 0.00 O ATOM 671 CB ASN A 46 8.011 -16.658 4.298 1.00 0.00 C ATOM 672 CG ASN A 46 9.259 -16.483 5.150 1.00 0.00 C ATOM 673 OD1 ASN A 46 9.948 -15.466 5.090 1.00 0.00 O ATOM 674 ND2 ASN A 46 9.557 -17.489 5.959 1.00 0.00 N ATOM 0 H ASN A 46 5.866 -15.568 2.465 1.00 0.00 H new ATOM 0 HA ASN A 46 7.162 -14.772 4.916 1.00 0.00 H new ATOM 0 HB2 ASN A 46 7.333 -17.346 4.804 1.00 0.00 H new ATOM 0 HB3 ASN A 46 8.292 -17.124 3.354 1.00 0.00 H new ATOM 0 HD21 ASN A 46 10.381 -17.435 6.558 1.00 0.00 H new ATOM 0 HD22 ASN A 46 8.963 -18.318 5.983 1.00 0.00 H new ATOM 681 N TRP A 47 8.763 -13.548 3.420 1.00 0.00 N ATOM 682 CA TRP A 47 9.604 -12.826 2.521 1.00 0.00 C ATOM 683 C TRP A 47 11.008 -13.399 2.459 1.00 0.00 C ATOM 684 O TRP A 47 11.901 -12.990 3.203 1.00 0.00 O ATOM 685 CB TRP A 47 9.622 -11.358 2.826 1.00 0.00 C ATOM 686 CG TRP A 47 8.666 -10.731 1.922 1.00 0.00 C ATOM 687 CD1 TRP A 47 8.754 -10.752 0.577 1.00 0.00 C ATOM 688 CD2 TRP A 47 7.465 -10.078 2.249 1.00 0.00 C ATOM 689 NE1 TRP A 47 7.676 -10.131 0.029 1.00 0.00 N ATOM 690 CE2 TRP A 47 6.871 -9.707 1.045 1.00 0.00 C ATOM 691 CE3 TRP A 47 6.826 -9.755 3.435 1.00 0.00 C ATOM 692 CZ2 TRP A 47 5.676 -9.053 1.010 1.00 0.00 C ATOM 693 CZ3 TRP A 47 5.650 -9.103 3.380 1.00 0.00 C ATOM 694 CH2 TRP A 47 5.076 -8.763 2.178 1.00 0.00 C ATOM 0 H TRP A 47 8.781 -13.223 4.387 1.00 0.00 H new ATOM 0 HA TRP A 47 9.169 -12.946 1.529 1.00 0.00 H new ATOM 0 HB2 TRP A 47 9.349 -11.175 3.865 1.00 0.00 H new ATOM 0 HB3 TRP A 47 10.620 -10.945 2.681 1.00 0.00 H new ATOM 0 HD1 TRP A 47 9.563 -11.197 0.017 1.00 0.00 H new ATOM 0 HE1 TRP A 47 7.500 -10.004 -0.968 1.00 0.00 H new ATOM 0 HE3 TRP A 47 7.263 -10.021 4.386 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 5.223 -8.775 0.070 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 5.147 -8.841 4.299 1.00 0.00 H new ATOM 0 HH2 TRP A 47 4.124 -8.253 2.172 1.00 0.00 H new ATOM 705 N ASN A 48 11.193 -14.349 1.560 1.00 0.00 N ATOM 706 CA ASN A 48 12.488 -14.988 1.360 1.00 0.00 C ATOM 707 C ASN A 48 13.334 -14.146 0.410 1.00 0.00 C ATOM 708 O ASN A 48 13.928 -14.666 -0.540 1.00 0.00 O ATOM 709 CB ASN A 48 12.296 -16.395 0.780 1.00 0.00 C ATOM 710 CG ASN A 48 11.017 -17.045 1.262 1.00 0.00 C ATOM 711 OD1 ASN A 48 10.978 -17.664 2.327 1.00 0.00 O ATOM 712 ND2 ASN A 48 9.963 -16.929 0.465 1.00 0.00 N ATOM 0 H ASN A 48 10.456 -14.700 0.949 1.00 0.00 H new ATOM 0 HA ASN A 48 12.998 -15.069 2.320 1.00 0.00 H new ATOM 0 HB2 ASN A 48 12.284 -16.338 -0.308 1.00 0.00 H new ATOM 0 HB3 ASN A 48 13.145 -17.019 1.058 1.00 0.00 H new ATOM 0 HD21 ASN A 48 9.077 -17.361 0.725 1.00 0.00 H new ATOM 0 HD22 ASN A 48 10.039 -16.407 -0.408 1.00 0.00 H new ATOM 719 N ASN A 49 13.373 -12.840 0.677 1.00 0.00 N ATOM 720 CA ASN A 49 14.005 -11.869 -0.216 1.00 0.00 C ATOM 721 C ASN A 49 13.326 -11.893 -1.582 1.00 0.00 C ATOM 722 O ASN A 49 13.954 -11.649 -2.615 1.00 0.00 O ATOM 723 CB ASN A 49 15.512 -12.128 -0.351 1.00 0.00 C ATOM 724 CG ASN A 49 16.273 -11.791 0.917 1.00 0.00 C ATOM 725 OD1 ASN A 49 16.699 -10.653 1.111 1.00 0.00 O ATOM 726 ND2 ASN A 49 16.455 -12.777 1.786 1.00 0.00 N ATOM 0 H ASN A 49 12.968 -12.426 1.517 1.00 0.00 H new ATOM 0 HA ASN A 49 13.883 -10.877 0.220 1.00 0.00 H new ATOM 0 HB2 ASN A 49 15.677 -13.176 -0.603 1.00 0.00 H new ATOM 0 HB3 ASN A 49 15.907 -11.536 -1.177 1.00 0.00 H new ATOM 0 HD21 ASN A 49 16.964 -12.605 2.653 1.00 0.00 H new ATOM 0 HD22 ASN A 49 16.086 -13.707 1.587 1.00 0.00 H new ATOM 733 N ASN A 50 12.030 -12.189 -1.569 1.00 0.00 N ATOM 734 CA ASN A 50 11.235 -12.239 -2.787 1.00 0.00 C ATOM 735 C ASN A 50 10.597 -10.879 -3.025 1.00 0.00 C ATOM 736 O ASN A 50 9.929 -10.338 -2.145 1.00 0.00 O ATOM 737 CB ASN A 50 10.156 -13.325 -2.674 1.00 0.00 C ATOM 738 CG ASN A 50 9.412 -13.573 -3.976 1.00 0.00 C ATOM 739 OD1 ASN A 50 9.248 -12.680 -4.803 1.00 0.00 O ATOM 740 ND2 ASN A 50 8.943 -14.795 -4.161 1.00 0.00 N ATOM 0 H ASN A 50 11.506 -12.399 -0.719 1.00 0.00 H new ATOM 0 HA ASN A 50 11.879 -12.486 -3.631 1.00 0.00 H new ATOM 0 HB2 ASN A 50 10.620 -14.255 -2.346 1.00 0.00 H new ATOM 0 HB3 ASN A 50 9.440 -13.037 -1.904 1.00 0.00 H new ATOM 0 HD21 ASN A 50 8.427 -15.020 -5.012 1.00 0.00 H new ATOM 0 HD22 ASN A 50 9.097 -15.513 -3.453 1.00 0.00 H new ATOM 747 N GLY A 51 10.786 -10.335 -4.211 1.00 0.00 N ATOM 748 CA GLY A 51 10.323 -8.998 -4.481 1.00 0.00 C ATOM 749 C GLY A 51 8.974 -8.978 -5.161 1.00 0.00 C ATOM 750 O GLY A 51 8.835 -8.484 -6.282 1.00 0.00 O ATOM 0 H GLY A 51 11.252 -10.796 -4.992 1.00 0.00 H new ATOM 0 HA2 GLY A 51 10.263 -8.442 -3.545 1.00 0.00 H new ATOM 0 HA3 GLY A 51 11.051 -8.485 -5.110 1.00 0.00 H new ATOM 754 N ASN A 52 7.984 -9.532 -4.485 1.00 0.00 N ATOM 755 CA ASN A 52 6.607 -9.503 -4.965 1.00 0.00 C ATOM 756 C ASN A 52 5.992 -8.132 -4.731 1.00 0.00 C ATOM 757 O ASN A 52 5.200 -7.945 -3.804 1.00 0.00 O ATOM 758 CB ASN A 52 5.764 -10.564 -4.255 1.00 0.00 C ATOM 759 CG ASN A 52 6.091 -11.973 -4.697 1.00 0.00 C ATOM 760 OD1 ASN A 52 6.385 -12.227 -5.867 1.00 0.00 O ATOM 761 ND2 ASN A 52 6.047 -12.900 -3.758 1.00 0.00 N ATOM 0 H ASN A 52 8.106 -10.012 -3.594 1.00 0.00 H new ATOM 0 HA ASN A 52 6.620 -9.715 -6.034 1.00 0.00 H new ATOM 0 HB2 ASN A 52 5.918 -10.482 -3.179 1.00 0.00 H new ATOM 0 HB3 ASN A 52 4.709 -10.366 -4.442 1.00 0.00 H new ATOM 0 HD21 ASN A 52 6.261 -13.870 -3.989 1.00 0.00 H new ATOM 0 HD22 ASN A 52 5.799 -12.646 -2.802 1.00 0.00 H new ATOM 768 N ILE A 53 6.371 -7.172 -5.558 1.00 0.00 N ATOM 769 CA ILE A 53 5.831 -5.832 -5.448 1.00 0.00 C ATOM 770 C ILE A 53 4.902 -5.531 -6.607 1.00 0.00 C ATOM 771 O ILE A 53 5.190 -5.856 -7.760 1.00 0.00 O ATOM 772 CB ILE A 53 6.947 -4.755 -5.345 1.00 0.00 C ATOM 773 CG1 ILE A 53 6.367 -3.326 -5.378 1.00 0.00 C ATOM 774 CG2 ILE A 53 7.983 -4.937 -6.444 1.00 0.00 C ATOM 775 CD1 ILE A 53 6.256 -2.708 -6.763 1.00 0.00 C ATOM 0 H ILE A 53 7.049 -7.297 -6.310 1.00 0.00 H new ATOM 0 HA ILE A 53 5.259 -5.792 -4.521 1.00 0.00 H new ATOM 0 HB ILE A 53 7.438 -4.890 -4.381 1.00 0.00 H new ATOM 0 HG12 ILE A 53 5.376 -3.342 -4.923 1.00 0.00 H new ATOM 0 HG13 ILE A 53 6.992 -2.682 -4.759 1.00 0.00 H new ATOM 0 HG21 ILE A 53 8.752 -4.171 -6.349 1.00 0.00 H new ATOM 0 HG22 ILE A 53 8.439 -5.923 -6.354 1.00 0.00 H new ATOM 0 HG23 ILE A 53 7.500 -4.848 -7.417 1.00 0.00 H new ATOM 0 HD11 ILE A 53 5.838 -1.705 -6.681 1.00 0.00 H new ATOM 0 HD12 ILE A 53 7.245 -2.653 -7.217 1.00 0.00 H new ATOM 0 HD13 ILE A 53 5.605 -3.323 -7.385 1.00 0.00 H new ATOM 787 N ILE A 54 3.781 -4.927 -6.280 1.00 0.00 N ATOM 788 CA ILE A 54 2.849 -4.458 -7.279 1.00 0.00 C ATOM 789 C ILE A 54 2.738 -2.939 -7.168 1.00 0.00 C ATOM 790 O ILE A 54 2.451 -2.397 -6.094 1.00 0.00 O ATOM 791 CB ILE A 54 1.461 -5.150 -7.134 1.00 0.00 C ATOM 792 CG1 ILE A 54 0.613 -4.921 -8.380 1.00 0.00 C ATOM 793 CG2 ILE A 54 0.713 -4.688 -5.897 1.00 0.00 C ATOM 794 CD1 ILE A 54 1.063 -5.747 -9.562 1.00 0.00 C ATOM 0 H ILE A 54 3.491 -4.748 -5.318 1.00 0.00 H new ATOM 0 HA ILE A 54 3.218 -4.719 -8.271 1.00 0.00 H new ATOM 0 HB ILE A 54 1.649 -6.218 -7.021 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -0.427 -5.158 -8.153 1.00 0.00 H new ATOM 0 HG13 ILE A 54 0.648 -3.865 -8.648 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.248 -5.199 -5.841 1.00 0.00 H new ATOM 0 HG22 ILE A 54 1.300 -4.921 -5.009 1.00 0.00 H new ATOM 0 HG23 ILE A 54 0.549 -3.612 -5.952 1.00 0.00 H new ATOM 0 HD11 ILE A 54 0.420 -5.539 -10.417 1.00 0.00 H new ATOM 0 HD12 ILE A 54 2.093 -5.493 -9.812 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.001 -6.806 -9.311 1.00 0.00 H new ATOM 806 N ALA A 55 3.038 -2.242 -8.251 1.00 0.00 N ATOM 807 CA ALA A 55 3.036 -0.792 -8.224 1.00 0.00 C ATOM 808 C ALA A 55 1.614 -0.262 -8.314 1.00 0.00 C ATOM 809 O ALA A 55 0.816 -0.724 -9.134 1.00 0.00 O ATOM 810 CB ALA A 55 3.891 -0.222 -9.343 1.00 0.00 C ATOM 0 H ALA A 55 3.284 -2.653 -9.151 1.00 0.00 H new ATOM 0 HA ALA A 55 3.468 -0.471 -7.276 1.00 0.00 H new ATOM 0 HB1 ALA A 55 3.871 0.867 -9.298 1.00 0.00 H new ATOM 0 HB2 ALA A 55 4.918 -0.571 -9.230 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.499 -0.553 -10.305 1.00 0.00 H new ATOM 816 N ALA A 56 1.301 0.696 -7.462 1.00 0.00 N ATOM 817 CA ALA A 56 -0.033 1.269 -7.412 1.00 0.00 C ATOM 818 C ALA A 56 -0.171 2.415 -8.403 1.00 0.00 C ATOM 819 O ALA A 56 0.821 2.973 -8.869 1.00 0.00 O ATOM 820 CB ALA A 56 -0.334 1.756 -6.004 1.00 0.00 C ATOM 0 H ALA A 56 1.956 1.097 -6.791 1.00 0.00 H new ATOM 0 HA ALA A 56 -0.750 0.495 -7.686 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -1.336 2.185 -5.974 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.276 0.918 -5.309 1.00 0.00 H new ATOM 0 HB3 ALA A 56 0.394 2.515 -5.718 1.00 0.00 H new ATOM 826 N SER A 57 -1.407 2.755 -8.727 1.00 0.00 N ATOM 827 CA SER A 57 -1.696 3.886 -9.572 1.00 0.00 C ATOM 828 C SER A 57 -2.438 4.909 -8.733 1.00 0.00 C ATOM 829 O SER A 57 -2.742 4.645 -7.573 1.00 0.00 O ATOM 830 CB SER A 57 -2.522 3.442 -10.778 1.00 0.00 C ATOM 831 OG SER A 57 -1.862 2.394 -11.475 1.00 0.00 O ATOM 0 H SER A 57 -2.234 2.250 -8.408 1.00 0.00 H new ATOM 0 HA SER A 57 -0.779 4.330 -9.959 1.00 0.00 H new ATOM 0 HB2 SER A 57 -3.505 3.105 -10.449 1.00 0.00 H new ATOM 0 HB3 SER A 57 -2.682 4.287 -11.447 1.00 0.00 H new ATOM 0 HG SER A 57 -2.405 2.120 -12.244 1.00 0.00 H new ATOM 837 N PHE A 58 -2.731 6.060 -9.290 1.00 0.00 N ATOM 838 CA PHE A 58 -3.322 7.117 -8.508 1.00 0.00 C ATOM 839 C PHE A 58 -4.413 7.839 -9.281 1.00 0.00 C ATOM 840 O PHE A 58 -4.360 7.975 -10.503 1.00 0.00 O ATOM 841 CB PHE A 58 -2.261 8.109 -7.995 1.00 0.00 C ATOM 842 CG PHE A 58 -1.863 9.169 -8.979 1.00 0.00 C ATOM 843 CD1 PHE A 58 -1.483 8.828 -10.257 1.00 0.00 C ATOM 844 CD2 PHE A 58 -1.868 10.507 -8.618 1.00 0.00 C ATOM 845 CE1 PHE A 58 -1.116 9.789 -11.167 1.00 0.00 C ATOM 846 CE2 PHE A 58 -1.501 11.482 -9.525 1.00 0.00 C ATOM 847 CZ PHE A 58 -1.124 11.122 -10.804 1.00 0.00 C ATOM 0 H PHE A 58 -2.572 6.286 -10.272 1.00 0.00 H new ATOM 0 HA PHE A 58 -3.783 6.650 -7.638 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -2.641 8.593 -7.095 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -1.371 7.550 -7.705 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -1.473 7.788 -10.549 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -2.162 10.790 -7.618 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -0.821 9.503 -12.166 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -1.509 12.522 -9.235 1.00 0.00 H new ATOM 0 HZ PHE A 58 -0.836 11.880 -11.518 1.00 0.00 H new ATOM 857 N SER A 59 -5.408 8.271 -8.538 1.00 0.00 N ATOM 858 CA SER A 59 -6.516 9.031 -9.075 1.00 0.00 C ATOM 859 C SER A 59 -6.155 10.510 -9.043 1.00 0.00 C ATOM 860 O SER A 59 -6.509 11.271 -9.941 1.00 0.00 O ATOM 861 CB SER A 59 -7.791 8.759 -8.258 1.00 0.00 C ATOM 862 OG SER A 59 -8.939 9.340 -8.861 1.00 0.00 O ATOM 0 H SER A 59 -5.472 8.103 -7.534 1.00 0.00 H new ATOM 0 HA SER A 59 -6.710 8.731 -10.105 1.00 0.00 H new ATOM 0 HB2 SER A 59 -7.937 7.683 -8.160 1.00 0.00 H new ATOM 0 HB3 SER A 59 -7.669 9.157 -7.251 1.00 0.00 H new ATOM 0 HG SER A 59 -9.729 9.145 -8.315 1.00 0.00 H new ATOM 868 N GLY A 60 -5.436 10.908 -8.000 1.00 0.00 N ATOM 869 CA GLY A 60 -4.942 12.266 -7.925 1.00 0.00 C ATOM 870 C GLY A 60 -4.963 12.806 -6.515 1.00 0.00 C ATOM 871 O GLY A 60 -5.210 12.054 -5.571 1.00 0.00 O ATOM 0 H GLY A 60 -5.188 10.315 -7.208 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -3.923 12.301 -8.310 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -5.548 12.907 -8.566 1.00 0.00 H new ATOM 875 N PRO A 61 -4.683 14.105 -6.341 1.00 0.00 N ATOM 876 CA PRO A 61 -4.762 14.764 -5.037 1.00 0.00 C ATOM 877 C PRO A 61 -6.195 14.811 -4.524 1.00 0.00 C ATOM 878 O PRO A 61 -7.132 15.076 -5.282 1.00 0.00 O ATOM 879 CB PRO A 61 -4.240 16.183 -5.304 1.00 0.00 C ATOM 880 CG PRO A 61 -3.537 16.100 -6.618 1.00 0.00 C ATOM 881 CD PRO A 61 -4.252 15.033 -7.395 1.00 0.00 C ATOM 0 HA PRO A 61 -4.189 14.236 -4.275 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -5.057 16.903 -5.339 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -3.562 16.508 -4.515 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -3.572 17.055 -7.142 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -2.485 15.848 -6.484 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -5.098 15.435 -7.952 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -3.595 14.549 -8.118 1.00 0.00 H new ATOM 889 N ILE A 62 -6.359 14.550 -3.240 1.00 0.00 N ATOM 890 CA ILE A 62 -7.677 14.492 -2.633 1.00 0.00 C ATOM 891 C ILE A 62 -8.178 15.898 -2.313 1.00 0.00 C ATOM 892 O ILE A 62 -7.659 16.563 -1.416 1.00 0.00 O ATOM 893 CB ILE A 62 -7.654 13.641 -1.346 1.00 0.00 C ATOM 894 CG1 ILE A 62 -6.932 12.314 -1.588 1.00 0.00 C ATOM 895 CG2 ILE A 62 -9.064 13.373 -0.861 1.00 0.00 C ATOM 896 CD1 ILE A 62 -6.884 11.415 -0.374 1.00 0.00 C ATOM 0 H ILE A 62 -5.590 14.374 -2.593 1.00 0.00 H new ATOM 0 HA ILE A 62 -8.355 14.025 -3.347 1.00 0.00 H new ATOM 0 HB ILE A 62 -7.115 14.201 -0.582 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -7.428 11.784 -2.401 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -5.913 12.520 -1.916 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -9.028 12.772 0.047 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -9.562 14.319 -0.650 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -9.617 12.835 -1.631 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -6.357 10.494 -0.624 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -6.361 11.924 0.435 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -7.899 11.177 -0.057 1.00 0.00 H new ATOM 908 N SER A 63 -9.181 16.345 -3.055 1.00 0.00 N ATOM 909 CA SER A 63 -9.703 17.694 -2.911 1.00 0.00 C ATOM 910 C SER A 63 -10.355 17.893 -1.544 1.00 0.00 C ATOM 911 O SER A 63 -11.101 17.037 -1.059 1.00 0.00 O ATOM 912 CB SER A 63 -10.694 17.988 -4.038 1.00 0.00 C ATOM 913 OG SER A 63 -11.657 16.955 -4.158 1.00 0.00 O ATOM 0 H SER A 63 -9.652 15.787 -3.768 1.00 0.00 H new ATOM 0 HA SER A 63 -8.872 18.397 -2.979 1.00 0.00 H new ATOM 0 HB2 SER A 63 -11.196 18.936 -3.846 1.00 0.00 H new ATOM 0 HB3 SER A 63 -10.156 18.098 -4.979 1.00 0.00 H new ATOM 0 HG SER A 63 -12.278 17.170 -4.885 1.00 0.00 H new ATOM 919 N GLY A 64 -10.056 19.022 -0.917 1.00 0.00 N ATOM 920 CA GLY A 64 -10.566 19.298 0.411 1.00 0.00 C ATOM 921 C GLY A 64 -9.615 18.809 1.482 1.00 0.00 C ATOM 922 O GLY A 64 -9.837 19.023 2.674 1.00 0.00 O ATOM 0 H GLY A 64 -9.465 19.756 -1.307 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -10.725 20.370 0.526 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -11.536 18.817 0.537 1.00 0.00 H new ATOM 926 N SER A 65 -8.556 18.144 1.050 1.00 0.00 N ATOM 927 CA SER A 65 -7.547 17.628 1.952 1.00 0.00 C ATOM 928 C SER A 65 -6.167 17.814 1.338 1.00 0.00 C ATOM 929 O SER A 65 -6.041 18.212 0.182 1.00 0.00 O ATOM 930 CB SER A 65 -7.810 16.147 2.233 1.00 0.00 C ATOM 931 OG SER A 65 -9.128 15.956 2.715 1.00 0.00 O ATOM 0 H SER A 65 -8.374 17.948 0.066 1.00 0.00 H new ATOM 0 HA SER A 65 -7.590 18.175 2.894 1.00 0.00 H new ATOM 0 HB2 SER A 65 -7.663 15.567 1.322 1.00 0.00 H new ATOM 0 HB3 SER A 65 -7.092 15.778 2.965 1.00 0.00 H new ATOM 0 HG SER A 65 -9.278 15.003 2.888 1.00 0.00 H new ATOM 937 N ASN A 66 -5.136 17.550 2.115 1.00 0.00 N ATOM 938 CA ASN A 66 -3.771 17.645 1.622 1.00 0.00 C ATOM 939 C ASN A 66 -3.177 16.258 1.469 1.00 0.00 C ATOM 940 O ASN A 66 -2.057 15.999 1.888 1.00 0.00 O ATOM 941 CB ASN A 66 -2.915 18.489 2.567 1.00 0.00 C ATOM 942 CG ASN A 66 -3.308 19.952 2.541 1.00 0.00 C ATOM 943 OD1 ASN A 66 -2.751 20.743 1.781 1.00 0.00 O ATOM 944 ND2 ASN A 66 -4.284 20.316 3.356 1.00 0.00 N ATOM 0 H ASN A 66 -5.214 17.267 3.092 1.00 0.00 H new ATOM 0 HA ASN A 66 -3.786 18.132 0.647 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -3.013 18.106 3.583 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -1.866 18.391 2.289 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -4.602 21.285 3.370 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -4.719 19.628 3.970 1.00 0.00 H new ATOM 951 N TYR A 67 -3.949 15.370 0.868 1.00 0.00 N ATOM 952 CA TYR A 67 -3.535 13.993 0.676 1.00 0.00 C ATOM 953 C TYR A 67 -3.642 13.606 -0.792 1.00 0.00 C ATOM 954 O TYR A 67 -4.164 14.364 -1.609 1.00 0.00 O ATOM 955 CB TYR A 67 -4.395 13.060 1.533 1.00 0.00 C ATOM 956 CG TYR A 67 -3.743 12.644 2.834 1.00 0.00 C ATOM 957 CD1 TYR A 67 -3.265 13.584 3.733 1.00 0.00 C ATOM 958 CD2 TYR A 67 -3.601 11.304 3.156 1.00 0.00 C ATOM 959 CE1 TYR A 67 -2.664 13.198 4.916 1.00 0.00 C ATOM 960 CE2 TYR A 67 -3.003 10.907 4.337 1.00 0.00 C ATOM 961 CZ TYR A 67 -2.535 11.857 5.212 1.00 0.00 C ATOM 962 OH TYR A 67 -1.932 11.464 6.386 1.00 0.00 O ATOM 0 H TYR A 67 -4.877 15.583 0.501 1.00 0.00 H new ATOM 0 HA TYR A 67 -2.494 13.896 0.985 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -5.340 13.555 1.754 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -4.631 12.167 0.955 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -3.364 14.635 3.505 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -3.965 10.554 2.470 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -2.297 13.943 5.606 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -2.904 9.857 4.570 1.00 0.00 H new ATOM 0 HH TYR A 67 -1.924 10.485 6.438 1.00 0.00 H new ATOM 972 N GLU A 68 -3.143 12.426 -1.111 1.00 0.00 N ATOM 973 CA GLU A 68 -3.174 11.912 -2.469 1.00 0.00 C ATOM 974 C GLU A 68 -3.957 10.600 -2.465 1.00 0.00 C ATOM 975 O GLU A 68 -4.186 10.027 -1.396 1.00 0.00 O ATOM 976 CB GLU A 68 -1.735 11.720 -2.971 1.00 0.00 C ATOM 977 CG GLU A 68 -1.566 11.824 -4.475 1.00 0.00 C ATOM 978 CD GLU A 68 -0.111 11.721 -4.906 1.00 0.00 C ATOM 979 OE1 GLU A 68 0.725 12.512 -4.407 1.00 0.00 O ATOM 980 OE2 GLU A 68 0.208 10.844 -5.732 1.00 0.00 O ATOM 0 H GLU A 68 -2.705 11.797 -0.438 1.00 0.00 H new ATOM 0 HA GLU A 68 -3.668 12.610 -3.146 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -1.097 12.465 -2.496 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -1.379 10.742 -2.646 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -2.141 11.034 -4.958 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -1.977 12.773 -4.819 1.00 0.00 H new ATOM 987 N TYR A 69 -4.332 10.093 -3.631 1.00 0.00 N ATOM 988 CA TYR A 69 -5.346 9.062 -3.694 1.00 0.00 C ATOM 989 C TYR A 69 -4.977 8.064 -4.753 1.00 0.00 C ATOM 990 O TYR A 69 -4.815 8.408 -5.922 1.00 0.00 O ATOM 991 CB TYR A 69 -6.731 9.643 -3.984 1.00 0.00 C ATOM 992 CG TYR A 69 -7.845 8.691 -3.609 1.00 0.00 C ATOM 993 CD1 TYR A 69 -7.786 7.999 -2.414 1.00 0.00 C ATOM 994 CD2 TYR A 69 -8.947 8.494 -4.430 1.00 0.00 C ATOM 995 CE1 TYR A 69 -8.787 7.131 -2.036 1.00 0.00 C ATOM 996 CE2 TYR A 69 -9.960 7.622 -4.062 1.00 0.00 C ATOM 997 CZ TYR A 69 -9.874 6.944 -2.863 1.00 0.00 C ATOM 998 OH TYR A 69 -10.876 6.074 -2.488 1.00 0.00 O ATOM 0 H TYR A 69 -3.952 10.378 -4.534 1.00 0.00 H new ATOM 0 HA TYR A 69 -5.393 8.574 -2.721 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -6.853 10.576 -3.434 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -6.806 9.886 -5.044 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -6.937 8.142 -1.762 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -9.016 9.027 -5.367 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -8.720 6.600 -1.098 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -10.811 7.474 -4.710 1.00 0.00 H new ATOM 0 HH TYR A 69 -11.668 6.228 -3.044 1.00 0.00 H new ATOM 1008 N TRP A 70 -4.852 6.835 -4.333 1.00 0.00 N ATOM 1009 CA TRP A 70 -4.270 5.811 -5.149 1.00 0.00 C ATOM 1010 C TRP A 70 -5.283 4.725 -5.405 1.00 0.00 C ATOM 1011 O TRP A 70 -6.097 4.443 -4.545 1.00 0.00 O ATOM 1012 CB TRP A 70 -3.054 5.267 -4.417 1.00 0.00 C ATOM 1013 CG TRP A 70 -2.109 6.355 -4.008 1.00 0.00 C ATOM 1014 CD1 TRP A 70 -2.274 7.280 -3.042 1.00 0.00 C ATOM 1015 CD2 TRP A 70 -0.850 6.621 -4.572 1.00 0.00 C ATOM 1016 NE1 TRP A 70 -1.183 8.101 -3.003 1.00 0.00 N ATOM 1017 CE2 TRP A 70 -0.292 7.703 -3.920 1.00 0.00 C ATOM 1018 CE3 TRP A 70 -0.167 6.027 -5.556 1.00 0.00 C ATOM 1019 CZ2 TRP A 70 0.955 8.211 -4.240 1.00 0.00 C ATOM 1020 CZ3 TRP A 70 1.079 6.492 -5.904 1.00 0.00 C ATOM 1021 CH2 TRP A 70 1.637 7.583 -5.235 1.00 0.00 C ATOM 0 H TRP A 70 -5.153 6.517 -3.412 1.00 0.00 H new ATOM 0 HA TRP A 70 -3.964 6.210 -6.116 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -3.379 4.718 -3.533 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -2.533 4.557 -5.059 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -3.137 7.360 -2.397 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -1.065 8.894 -2.373 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -0.594 5.183 -6.077 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 1.367 9.066 -3.724 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 1.629 6.011 -6.699 1.00 0.00 H new ATOM 0 HH2 TRP A 70 2.621 7.932 -5.511 1.00 0.00 H new ATOM 1032 N THR A 71 -5.228 4.137 -6.579 1.00 0.00 N ATOM 1033 CA THR A 71 -6.183 3.122 -6.989 1.00 0.00 C ATOM 1034 C THR A 71 -5.496 2.115 -7.895 1.00 0.00 C ATOM 1035 O THR A 71 -4.626 2.497 -8.681 1.00 0.00 O ATOM 1036 CB THR A 71 -7.369 3.761 -7.748 1.00 0.00 C ATOM 1037 OG1 THR A 71 -6.901 4.857 -8.549 1.00 0.00 O ATOM 1038 CG2 THR A 71 -8.447 4.252 -6.795 1.00 0.00 C ATOM 0 H THR A 71 -4.519 4.347 -7.281 1.00 0.00 H new ATOM 0 HA THR A 71 -6.563 2.624 -6.097 1.00 0.00 H new ATOM 0 HB THR A 71 -7.807 2.994 -8.386 1.00 0.00 H new ATOM 0 HG1 THR A 71 -7.656 5.257 -9.029 1.00 0.00 H new ATOM 0 HG21 THR A 71 -9.263 4.694 -7.366 1.00 0.00 H new ATOM 0 HG22 THR A 71 -8.826 3.413 -6.211 1.00 0.00 H new ATOM 0 HG23 THR A 71 -8.026 5.001 -6.124 1.00 0.00 H new ATOM 1046 N PHE A 72 -5.843 0.834 -7.771 1.00 0.00 N ATOM 1047 CA PHE A 72 -5.324 -0.160 -8.699 1.00 0.00 C ATOM 1048 C PHE A 72 -5.945 -1.539 -8.489 1.00 0.00 C ATOM 1049 O PHE A 72 -6.488 -1.845 -7.424 1.00 0.00 O ATOM 1050 CB PHE A 72 -3.790 -0.266 -8.607 1.00 0.00 C ATOM 1051 CG PHE A 72 -3.283 -1.019 -7.405 1.00 0.00 C ATOM 1052 CD1 PHE A 72 -3.543 -0.576 -6.117 1.00 0.00 C ATOM 1053 CD2 PHE A 72 -2.535 -2.174 -7.572 1.00 0.00 C ATOM 1054 CE1 PHE A 72 -3.070 -1.271 -5.022 1.00 0.00 C ATOM 1055 CE2 PHE A 72 -2.062 -2.870 -6.480 1.00 0.00 C ATOM 1056 CZ PHE A 72 -2.327 -2.419 -5.205 1.00 0.00 C ATOM 0 H PHE A 72 -6.468 0.469 -7.052 1.00 0.00 H new ATOM 0 HA PHE A 72 -5.601 0.185 -9.695 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -3.418 -0.754 -9.508 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -3.370 0.740 -8.593 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -4.122 0.323 -5.969 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -2.321 -2.532 -8.568 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -3.281 -0.917 -4.024 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -1.483 -3.770 -6.624 1.00 0.00 H new ATOM 0 HZ PHE A 72 -1.954 -2.963 -4.350 1.00 0.00 H new ATOM 1066 N SER A 73 -5.854 -2.360 -9.526 1.00 0.00 N ATOM 1067 CA SER A 73 -6.254 -3.754 -9.457 1.00 0.00 C ATOM 1068 C SER A 73 -5.040 -4.644 -9.716 1.00 0.00 C ATOM 1069 O SER A 73 -4.172 -4.301 -10.522 1.00 0.00 O ATOM 1070 CB SER A 73 -7.370 -4.038 -10.466 1.00 0.00 C ATOM 1071 OG SER A 73 -7.063 -3.508 -11.747 1.00 0.00 O ATOM 0 H SER A 73 -5.500 -2.075 -10.439 1.00 0.00 H new ATOM 0 HA SER A 73 -6.642 -3.972 -8.462 1.00 0.00 H new ATOM 0 HB2 SER A 73 -7.525 -5.114 -10.544 1.00 0.00 H new ATOM 0 HB3 SER A 73 -8.304 -3.606 -10.107 1.00 0.00 H new ATOM 0 HG SER A 73 -7.795 -3.708 -12.368 1.00 0.00 H new ATOM 1077 N ALA A 74 -4.975 -5.774 -9.030 1.00 0.00 N ATOM 1078 CA ALA A 74 -3.770 -6.606 -9.051 1.00 0.00 C ATOM 1079 C ALA A 74 -4.081 -8.099 -9.055 1.00 0.00 C ATOM 1080 O ALA A 74 -4.469 -8.652 -8.036 1.00 0.00 O ATOM 1081 CB ALA A 74 -2.905 -6.282 -7.842 1.00 0.00 C ATOM 0 H ALA A 74 -5.733 -6.139 -8.454 1.00 0.00 H new ATOM 0 HA ALA A 74 -3.243 -6.379 -9.978 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -2.009 -6.902 -7.859 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -2.619 -5.230 -7.870 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -3.466 -6.481 -6.929 1.00 0.00 H new ATOM 1087 N SER A 75 -3.902 -8.755 -10.189 1.00 0.00 N ATOM 1088 CA SER A 75 -4.052 -10.205 -10.252 1.00 0.00 C ATOM 1089 C SER A 75 -2.916 -10.860 -9.469 1.00 0.00 C ATOM 1090 O SER A 75 -1.757 -10.808 -9.887 1.00 0.00 O ATOM 1091 CB SER A 75 -4.045 -10.676 -11.713 1.00 0.00 C ATOM 1092 OG SER A 75 -4.427 -12.035 -11.821 1.00 0.00 O ATOM 0 H SER A 75 -3.654 -8.314 -11.075 1.00 0.00 H new ATOM 0 HA SER A 75 -5.005 -10.494 -9.809 1.00 0.00 H new ATOM 0 HB2 SER A 75 -4.725 -10.058 -12.299 1.00 0.00 H new ATOM 0 HB3 SER A 75 -3.049 -10.542 -12.135 1.00 0.00 H new ATOM 0 HG SER A 75 -4.414 -12.304 -12.763 1.00 0.00 H new ATOM 1098 N VAL A 76 -3.234 -11.445 -8.319 1.00 0.00 N ATOM 1099 CA VAL A 76 -2.194 -11.971 -7.446 1.00 0.00 C ATOM 1100 C VAL A 76 -2.064 -13.483 -7.600 1.00 0.00 C ATOM 1101 O VAL A 76 -3.008 -14.163 -8.007 1.00 0.00 O ATOM 1102 CB VAL A 76 -2.462 -11.606 -5.968 1.00 0.00 C ATOM 1103 CG1 VAL A 76 -2.680 -10.111 -5.826 1.00 0.00 C ATOM 1104 CG2 VAL A 76 -3.650 -12.359 -5.417 1.00 0.00 C ATOM 0 H VAL A 76 -4.187 -11.565 -7.975 1.00 0.00 H new ATOM 0 HA VAL A 76 -1.253 -11.509 -7.746 1.00 0.00 H new ATOM 0 HB VAL A 76 -1.584 -11.897 -5.391 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -2.868 -9.868 -4.780 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -1.792 -9.580 -6.168 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -3.537 -9.810 -6.428 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -3.808 -12.077 -4.376 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -4.538 -12.113 -5.999 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -3.462 -13.431 -5.478 1.00 0.00 H new ATOM 1114 N LYS A 77 -0.881 -13.993 -7.274 1.00 0.00 N ATOM 1115 CA LYS A 77 -0.562 -15.407 -7.453 1.00 0.00 C ATOM 1116 C LYS A 77 -1.011 -16.206 -6.236 1.00 0.00 C ATOM 1117 O LYS A 77 -1.246 -17.412 -6.313 1.00 0.00 O ATOM 1118 CB LYS A 77 0.945 -15.574 -7.642 1.00 0.00 C ATOM 1119 CG LYS A 77 1.538 -14.661 -8.706 1.00 0.00 C ATOM 1120 CD LYS A 77 3.055 -14.598 -8.606 1.00 0.00 C ATOM 1121 CE LYS A 77 3.704 -15.926 -8.961 1.00 0.00 C ATOM 1122 NZ LYS A 77 3.626 -16.209 -10.419 1.00 0.00 N ATOM 0 H LYS A 77 -0.119 -13.442 -6.880 1.00 0.00 H new ATOM 0 HA LYS A 77 -1.085 -15.777 -8.335 1.00 0.00 H new ATOM 0 HB2 LYS A 77 1.444 -15.381 -6.692 1.00 0.00 H new ATOM 0 HB3 LYS A 77 1.155 -16.610 -7.908 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.252 -15.020 -9.695 1.00 0.00 H new ATOM 0 HG3 LYS A 77 1.124 -13.659 -8.599 1.00 0.00 H new ATOM 0 HD2 LYS A 77 3.430 -13.821 -9.272 1.00 0.00 H new ATOM 0 HD3 LYS A 77 3.340 -14.314 -7.593 1.00 0.00 H new ATOM 0 HE2 LYS A 77 4.748 -15.915 -8.649 1.00 0.00 H new ATOM 0 HE3 LYS A 77 3.215 -16.728 -8.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 4.181 -17.061 -10.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 2.634 -16.363 -10.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 4.009 -15.401 -10.950 1.00 0.00 H new ATOM 1136 N GLY A 78 -1.115 -15.513 -5.116 1.00 0.00 N ATOM 1137 CA GLY A 78 -1.476 -16.139 -3.865 1.00 0.00 C ATOM 1138 C GLY A 78 -0.874 -15.381 -2.704 1.00 0.00 C ATOM 1139 O GLY A 78 0.328 -15.430 -2.490 1.00 0.00 O ATOM 0 H GLY A 78 -0.952 -14.508 -5.052 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -2.561 -16.168 -3.765 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -1.127 -17.172 -3.854 1.00 0.00 H new ATOM 1143 N ILE A 79 -1.701 -14.663 -1.970 1.00 0.00 N ATOM 1144 CA ILE A 79 -1.205 -13.764 -0.940 1.00 0.00 C ATOM 1145 C ILE A 79 -1.580 -14.242 0.451 1.00 0.00 C ATOM 1146 O ILE A 79 -2.697 -14.699 0.693 1.00 0.00 O ATOM 1147 CB ILE A 79 -1.731 -12.340 -1.182 1.00 0.00 C ATOM 1148 CG1 ILE A 79 -1.378 -11.379 -0.046 1.00 0.00 C ATOM 1149 CG2 ILE A 79 -3.227 -12.362 -1.405 1.00 0.00 C ATOM 1150 CD1 ILE A 79 -1.758 -9.941 -0.350 1.00 0.00 C ATOM 0 H ILE A 79 -2.716 -14.682 -2.065 1.00 0.00 H new ATOM 0 HA ILE A 79 -0.117 -13.756 -0.999 1.00 0.00 H new ATOM 0 HB ILE A 79 -1.236 -11.968 -2.079 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -1.885 -11.699 0.865 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -0.307 -11.433 0.149 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -3.585 -11.346 -1.575 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -3.456 -12.978 -2.275 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -3.720 -12.778 -0.526 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -1.483 -9.306 0.492 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -1.231 -9.607 -1.244 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -2.833 -9.876 -0.517 1.00 0.00 H new ATOM 1162 N LYS A 80 -0.628 -14.136 1.357 1.00 0.00 N ATOM 1163 CA LYS A 80 -0.811 -14.613 2.719 1.00 0.00 C ATOM 1164 C LYS A 80 -0.730 -13.466 3.721 1.00 0.00 C ATOM 1165 O LYS A 80 -1.586 -13.335 4.587 1.00 0.00 O ATOM 1166 CB LYS A 80 0.243 -15.668 3.050 1.00 0.00 C ATOM 1167 CG LYS A 80 0.175 -16.910 2.172 1.00 0.00 C ATOM 1168 CD LYS A 80 -1.100 -17.705 2.408 1.00 0.00 C ATOM 1169 CE LYS A 80 -1.125 -18.976 1.573 1.00 0.00 C ATOM 1170 NZ LYS A 80 -2.281 -19.841 1.917 1.00 0.00 N ATOM 0 H LYS A 80 0.286 -13.722 1.176 1.00 0.00 H new ATOM 0 HA LYS A 80 -1.804 -15.058 2.791 1.00 0.00 H new ATOM 0 HB2 LYS A 80 1.232 -15.221 2.953 1.00 0.00 H new ATOM 0 HB3 LYS A 80 0.129 -15.966 4.092 1.00 0.00 H new ATOM 0 HG2 LYS A 80 0.231 -16.616 1.124 1.00 0.00 H new ATOM 0 HG3 LYS A 80 1.039 -17.543 2.372 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -1.181 -17.961 3.465 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -1.965 -17.089 2.162 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -1.169 -18.715 0.516 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -0.199 -19.530 1.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -2.024 -20.838 1.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -2.541 -19.693 2.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -3.089 -19.599 1.308 1.00 0.00 H new ATOM 1184 N GLU A 81 0.289 -12.629 3.579 1.00 0.00 N ATOM 1185 CA GLU A 81 0.551 -11.542 4.536 1.00 0.00 C ATOM 1186 C GLU A 81 1.123 -10.372 3.765 1.00 0.00 C ATOM 1187 O GLU A 81 1.719 -10.601 2.714 1.00 0.00 O ATOM 1188 CB GLU A 81 1.596 -11.950 5.588 1.00 0.00 C ATOM 1189 CG GLU A 81 1.488 -13.373 6.114 1.00 0.00 C ATOM 1190 CD GLU A 81 0.365 -13.564 7.115 1.00 0.00 C ATOM 1191 OE1 GLU A 81 0.226 -12.723 8.028 1.00 0.00 O ATOM 1192 OE2 GLU A 81 -0.352 -14.581 7.020 1.00 0.00 O ATOM 0 H GLU A 81 0.956 -12.676 2.809 1.00 0.00 H new ATOM 0 HA GLU A 81 -0.383 -11.297 5.041 1.00 0.00 H new ATOM 0 HB2 GLU A 81 2.588 -11.817 5.157 1.00 0.00 H new ATOM 0 HB3 GLU A 81 1.520 -11.264 6.432 1.00 0.00 H new ATOM 0 HG2 GLU A 81 1.335 -14.052 5.275 1.00 0.00 H new ATOM 0 HG3 GLU A 81 2.432 -13.652 6.582 1.00 0.00 H new ATOM 1199 N PHE A 82 0.971 -9.129 4.238 1.00 0.00 N ATOM 1200 CA PHE A 82 1.630 -8.033 3.539 1.00 0.00 C ATOM 1201 C PHE A 82 1.548 -6.702 4.261 1.00 0.00 C ATOM 1202 O PHE A 82 0.992 -6.585 5.354 1.00 0.00 O ATOM 1203 CB PHE A 82 1.084 -7.887 2.109 1.00 0.00 C ATOM 1204 CG PHE A 82 -0.264 -7.230 1.975 1.00 0.00 C ATOM 1205 CD1 PHE A 82 -1.396 -7.813 2.512 1.00 0.00 C ATOM 1206 CD2 PHE A 82 -0.396 -6.043 1.269 1.00 0.00 C ATOM 1207 CE1 PHE A 82 -2.636 -7.227 2.350 1.00 0.00 C ATOM 1208 CE2 PHE A 82 -1.632 -5.449 1.111 1.00 0.00 C ATOM 1209 CZ PHE A 82 -2.753 -6.043 1.650 1.00 0.00 C ATOM 0 H PHE A 82 0.425 -8.869 5.060 1.00 0.00 H new ATOM 0 HA PHE A 82 2.685 -8.303 3.507 1.00 0.00 H new ATOM 0 HB2 PHE A 82 1.804 -7.314 1.525 1.00 0.00 H new ATOM 0 HB3 PHE A 82 1.027 -8.879 1.661 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -1.310 -8.737 3.064 1.00 0.00 H new ATOM 0 HD2 PHE A 82 0.478 -5.578 0.838 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -3.514 -7.695 2.771 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -1.721 -4.521 0.566 1.00 0.00 H new ATOM 0 HZ PHE A 82 -3.722 -5.583 1.525 1.00 0.00 H new ATOM 1219 N TYR A 83 2.133 -5.710 3.607 1.00 0.00 N ATOM 1220 CA TYR A 83 2.131 -4.328 4.052 1.00 0.00 C ATOM 1221 C TYR A 83 2.492 -3.434 2.869 1.00 0.00 C ATOM 1222 O TYR A 83 2.971 -3.926 1.846 1.00 0.00 O ATOM 1223 CB TYR A 83 3.099 -4.118 5.228 1.00 0.00 C ATOM 1224 CG TYR A 83 4.420 -4.860 5.131 1.00 0.00 C ATOM 1225 CD1 TYR A 83 5.220 -4.776 4.000 1.00 0.00 C ATOM 1226 CD2 TYR A 83 4.872 -5.630 6.197 1.00 0.00 C ATOM 1227 CE1 TYR A 83 6.432 -5.439 3.935 1.00 0.00 C ATOM 1228 CE2 TYR A 83 6.079 -6.297 6.135 1.00 0.00 C ATOM 1229 CZ TYR A 83 6.855 -6.196 5.002 1.00 0.00 C ATOM 1230 OH TYR A 83 8.068 -6.844 4.940 1.00 0.00 O ATOM 0 H TYR A 83 2.635 -5.849 2.730 1.00 0.00 H new ATOM 0 HA TYR A 83 1.137 -4.065 4.415 1.00 0.00 H new ATOM 0 HB2 TYR A 83 3.307 -3.052 5.318 1.00 0.00 H new ATOM 0 HB3 TYR A 83 2.598 -4.423 6.147 1.00 0.00 H new ATOM 0 HD1 TYR A 83 4.891 -4.184 3.158 1.00 0.00 H new ATOM 0 HD2 TYR A 83 4.268 -5.708 7.089 1.00 0.00 H new ATOM 0 HE1 TYR A 83 7.044 -5.362 3.049 1.00 0.00 H new ATOM 0 HE2 TYR A 83 6.413 -6.895 6.970 1.00 0.00 H new ATOM 0 HH TYR A 83 7.946 -7.728 4.534 1.00 0.00 H new ATOM 1240 N ILE A 84 2.247 -2.138 2.978 1.00 0.00 N ATOM 1241 CA ILE A 84 2.527 -1.238 1.871 1.00 0.00 C ATOM 1242 C ILE A 84 3.793 -0.430 2.132 1.00 0.00 C ATOM 1243 O ILE A 84 4.073 -0.047 3.272 1.00 0.00 O ATOM 1244 CB ILE A 84 1.367 -0.259 1.609 1.00 0.00 C ATOM 1245 CG1 ILE A 84 0.004 -0.976 1.690 1.00 0.00 C ATOM 1246 CG2 ILE A 84 1.559 0.396 0.249 1.00 0.00 C ATOM 1247 CD1 ILE A 84 -0.801 -0.960 0.406 1.00 0.00 C ATOM 0 H ILE A 84 1.860 -1.691 3.809 1.00 0.00 H new ATOM 0 HA ILE A 84 2.660 -1.868 0.992 1.00 0.00 H new ATOM 0 HB ILE A 84 1.372 0.511 2.380 1.00 0.00 H new ATOM 0 HG12 ILE A 84 0.172 -2.012 1.984 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -0.588 -0.512 2.479 1.00 0.00 H new ATOM 0 HG21 ILE A 84 0.740 1.090 0.060 1.00 0.00 H new ATOM 0 HG22 ILE A 84 2.504 0.939 0.237 1.00 0.00 H new ATOM 0 HG23 ILE A 84 1.571 -0.371 -0.526 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -1.742 -1.488 0.560 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -1.006 0.071 0.118 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -0.235 -1.452 -0.385 1.00 0.00 H new ATOM 1259 N LYS A 85 4.556 -0.168 1.074 1.00 0.00 N ATOM 1260 CA LYS A 85 5.737 0.640 1.175 1.00 0.00 C ATOM 1261 C LYS A 85 5.475 2.006 0.596 1.00 0.00 C ATOM 1262 O LYS A 85 4.975 2.138 -0.529 1.00 0.00 O ATOM 1263 CB LYS A 85 6.892 0.004 0.425 1.00 0.00 C ATOM 1264 CG LYS A 85 7.211 -1.401 0.870 1.00 0.00 C ATOM 1265 CD LYS A 85 8.676 -1.686 0.676 1.00 0.00 C ATOM 1266 CE LYS A 85 9.044 -1.994 -0.773 1.00 0.00 C ATOM 1267 NZ LYS A 85 9.067 -0.779 -1.632 1.00 0.00 N ATOM 0 H LYS A 85 4.363 -0.514 0.134 1.00 0.00 H new ATOM 0 HA LYS A 85 5.999 0.724 2.230 1.00 0.00 H new ATOM 0 HB2 LYS A 85 6.659 -0.007 -0.640 1.00 0.00 H new ATOM 0 HB3 LYS A 85 7.779 0.624 0.551 1.00 0.00 H new ATOM 0 HG2 LYS A 85 6.944 -1.528 1.919 1.00 0.00 H new ATOM 0 HG3 LYS A 85 6.615 -2.115 0.301 1.00 0.00 H new ATOM 0 HD2 LYS A 85 9.254 -0.827 1.016 1.00 0.00 H new ATOM 0 HD3 LYS A 85 8.961 -2.530 1.303 1.00 0.00 H new ATOM 0 HE2 LYS A 85 10.023 -2.472 -0.801 1.00 0.00 H new ATOM 0 HE3 LYS A 85 8.329 -2.708 -1.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 9.883 -0.824 -2.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 8.190 -0.730 -2.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 9.145 0.068 -1.033 1.00 0.00 H new ATOM 1281 N TYR A 86 5.822 3.012 1.356 1.00 0.00 N ATOM 1282 CA TYR A 86 5.679 4.380 0.906 1.00 0.00 C ATOM 1283 C TYR A 86 7.033 4.918 0.487 1.00 0.00 C ATOM 1284 O TYR A 86 7.864 5.265 1.328 1.00 0.00 O ATOM 1285 CB TYR A 86 5.064 5.266 1.991 1.00 0.00 C ATOM 1286 CG TYR A 86 4.827 6.687 1.526 1.00 0.00 C ATOM 1287 CD1 TYR A 86 4.226 6.942 0.302 1.00 0.00 C ATOM 1288 CD2 TYR A 86 5.206 7.770 2.302 1.00 0.00 C ATOM 1289 CE1 TYR A 86 4.015 8.232 -0.133 1.00 0.00 C ATOM 1290 CE2 TYR A 86 4.995 9.068 1.876 1.00 0.00 C ATOM 1291 CZ TYR A 86 4.399 9.293 0.655 1.00 0.00 C ATOM 1292 OH TYR A 86 4.202 10.583 0.213 1.00 0.00 O ATOM 0 H TYR A 86 6.208 2.913 2.295 1.00 0.00 H new ATOM 0 HA TYR A 86 5.002 4.393 0.052 1.00 0.00 H new ATOM 0 HB2 TYR A 86 4.118 4.832 2.314 1.00 0.00 H new ATOM 0 HB3 TYR A 86 5.722 5.278 2.860 1.00 0.00 H new ATOM 0 HD1 TYR A 86 3.918 6.115 -0.321 1.00 0.00 H new ATOM 0 HD2 TYR A 86 5.676 7.597 3.259 1.00 0.00 H new ATOM 0 HE1 TYR A 86 3.549 8.410 -1.091 1.00 0.00 H new ATOM 0 HE2 TYR A 86 5.295 9.900 2.496 1.00 0.00 H new ATOM 0 HH TYR A 86 3.504 11.010 0.752 1.00 0.00 H new ATOM 1302 N GLU A 87 7.255 4.966 -0.811 1.00 0.00 N ATOM 1303 CA GLU A 87 8.514 5.403 -1.353 1.00 0.00 C ATOM 1304 C GLU A 87 8.330 6.768 -1.996 1.00 0.00 C ATOM 1305 O GLU A 87 7.402 6.984 -2.773 1.00 0.00 O ATOM 1306 CB GLU A 87 9.020 4.372 -2.361 1.00 0.00 C ATOM 1307 CG GLU A 87 10.469 4.551 -2.751 1.00 0.00 C ATOM 1308 CD GLU A 87 11.012 3.351 -3.498 1.00 0.00 C ATOM 1309 OE1 GLU A 87 10.840 3.279 -4.730 1.00 0.00 O ATOM 1310 OE2 GLU A 87 11.607 2.462 -2.852 1.00 0.00 O ATOM 0 H GLU A 87 6.565 4.702 -1.514 1.00 0.00 H new ATOM 0 HA GLU A 87 9.259 5.493 -0.562 1.00 0.00 H new ATOM 0 HB2 GLU A 87 8.888 3.375 -1.942 1.00 0.00 H new ATOM 0 HB3 GLU A 87 8.404 4.424 -3.259 1.00 0.00 H new ATOM 0 HG2 GLU A 87 10.569 5.440 -3.373 1.00 0.00 H new ATOM 0 HG3 GLU A 87 11.067 4.720 -1.855 1.00 0.00 H new ATOM 1317 N VAL A 88 9.188 7.691 -1.632 1.00 0.00 N ATOM 1318 CA VAL A 88 9.082 9.063 -2.071 1.00 0.00 C ATOM 1319 C VAL A 88 10.365 9.440 -2.792 1.00 0.00 C ATOM 1320 O VAL A 88 11.348 8.702 -2.725 1.00 0.00 O ATOM 1321 CB VAL A 88 8.845 10.000 -0.863 1.00 0.00 C ATOM 1322 CG1 VAL A 88 8.249 11.329 -1.299 1.00 0.00 C ATOM 1323 CG2 VAL A 88 7.945 9.321 0.158 1.00 0.00 C ATOM 0 H VAL A 88 9.984 7.511 -1.020 1.00 0.00 H new ATOM 0 HA VAL A 88 8.234 9.170 -2.748 1.00 0.00 H new ATOM 0 HB VAL A 88 9.811 10.207 -0.402 1.00 0.00 H new ATOM 0 HG11 VAL A 88 8.095 11.963 -0.426 1.00 0.00 H new ATOM 0 HG12 VAL A 88 8.930 11.824 -1.991 1.00 0.00 H new ATOM 0 HG13 VAL A 88 7.293 11.155 -1.793 1.00 0.00 H new ATOM 0 HG21 VAL A 88 7.785 9.990 1.004 1.00 0.00 H new ATOM 0 HG22 VAL A 88 6.986 9.083 -0.303 1.00 0.00 H new ATOM 0 HG23 VAL A 88 8.418 8.403 0.506 1.00 0.00 H new ATOM 1333 N SER A 89 10.345 10.562 -3.502 1.00 0.00 N ATOM 1334 CA SER A 89 11.502 11.050 -4.256 1.00 0.00 C ATOM 1335 C SER A 89 12.663 11.463 -3.338 1.00 0.00 C ATOM 1336 O SER A 89 13.480 12.320 -3.683 1.00 0.00 O ATOM 1337 CB SER A 89 11.070 12.221 -5.124 1.00 0.00 C ATOM 1338 OG SER A 89 10.426 13.223 -4.349 1.00 0.00 O ATOM 0 H SER A 89 9.525 11.164 -3.574 1.00 0.00 H new ATOM 0 HA SER A 89 11.869 10.236 -4.880 1.00 0.00 H new ATOM 0 HB2 SER A 89 11.940 12.647 -5.624 1.00 0.00 H new ATOM 0 HB3 SER A 89 10.394 11.870 -5.904 1.00 0.00 H new ATOM 0 HG SER A 89 10.160 13.966 -4.930 1.00 0.00 H new ATOM 1344 N GLY A 90 12.724 10.831 -2.181 1.00 0.00 N ATOM 1345 CA GLY A 90 13.782 11.061 -1.234 1.00 0.00 C ATOM 1346 C GLY A 90 13.519 10.364 0.086 1.00 0.00 C ATOM 1347 O GLY A 90 14.444 9.885 0.740 1.00 0.00 O ATOM 0 H GLY A 90 12.035 10.143 -1.877 1.00 0.00 H new ATOM 0 HA2 GLY A 90 14.725 10.707 -1.650 1.00 0.00 H new ATOM 0 HA3 GLY A 90 13.891 12.132 -1.064 1.00 0.00 H new ATOM 1351 N LYS A 91 12.251 10.293 0.473 1.00 0.00 N ATOM 1352 CA LYS A 91 11.866 9.702 1.745 1.00 0.00 C ATOM 1353 C LYS A 91 11.308 8.295 1.557 1.00 0.00 C ATOM 1354 O LYS A 91 10.995 7.885 0.441 1.00 0.00 O ATOM 1355 CB LYS A 91 10.818 10.587 2.423 1.00 0.00 C ATOM 1356 CG LYS A 91 11.278 11.194 3.742 1.00 0.00 C ATOM 1357 CD LYS A 91 12.221 12.379 3.545 1.00 0.00 C ATOM 1358 CE LYS A 91 13.628 11.940 3.171 1.00 0.00 C ATOM 1359 NZ LYS A 91 14.489 13.090 2.794 1.00 0.00 N ATOM 0 H LYS A 91 11.469 10.640 -0.081 1.00 0.00 H new ATOM 0 HA LYS A 91 12.755 9.632 2.372 1.00 0.00 H new ATOM 0 HB2 LYS A 91 10.541 11.392 1.742 1.00 0.00 H new ATOM 0 HB3 LYS A 91 9.919 9.997 2.601 1.00 0.00 H new ATOM 0 HG2 LYS A 91 10.407 11.518 4.312 1.00 0.00 H new ATOM 0 HG3 LYS A 91 11.780 10.429 4.334 1.00 0.00 H new ATOM 0 HD2 LYS A 91 11.826 13.029 2.764 1.00 0.00 H new ATOM 0 HD3 LYS A 91 12.258 12.968 4.462 1.00 0.00 H new ATOM 0 HE2 LYS A 91 14.078 11.411 4.011 1.00 0.00 H new ATOM 0 HE3 LYS A 91 13.579 11.236 2.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 15.439 12.746 2.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 14.074 13.581 1.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 14.558 13.750 3.595 1.00 0.00 H new ATOM 1373 N THR A 92 11.223 7.544 2.645 1.00 0.00 N ATOM 1374 CA THR A 92 10.574 6.244 2.633 1.00 0.00 C ATOM 1375 C THR A 92 9.939 5.967 3.991 1.00 0.00 C ATOM 1376 O THR A 92 10.486 6.339 5.028 1.00 0.00 O ATOM 1377 CB THR A 92 11.558 5.102 2.308 1.00 0.00 C ATOM 1378 OG1 THR A 92 12.407 5.472 1.211 1.00 0.00 O ATOM 1379 CG2 THR A 92 10.816 3.821 1.951 1.00 0.00 C ATOM 0 H THR A 92 11.599 7.817 3.553 1.00 0.00 H new ATOM 0 HA THR A 92 9.815 6.275 1.851 1.00 0.00 H new ATOM 0 HB THR A 92 12.161 4.925 3.198 1.00 0.00 H new ATOM 0 HG1 THR A 92 13.028 4.739 1.016 1.00 0.00 H new ATOM 0 HG21 THR A 92 11.536 3.034 1.727 1.00 0.00 H new ATOM 0 HG22 THR A 92 10.194 3.515 2.792 1.00 0.00 H new ATOM 0 HG23 THR A 92 10.187 3.996 1.079 1.00 0.00 H new ATOM 1387 N TYR A 93 8.784 5.329 3.970 1.00 0.00 N ATOM 1388 CA TYR A 93 8.097 4.927 5.191 1.00 0.00 C ATOM 1389 C TYR A 93 7.468 3.556 4.976 1.00 0.00 C ATOM 1390 O TYR A 93 7.724 2.899 3.964 1.00 0.00 O ATOM 1391 CB TYR A 93 7.012 5.935 5.603 1.00 0.00 C ATOM 1392 CG TYR A 93 7.469 7.368 5.672 1.00 0.00 C ATOM 1393 CD1 TYR A 93 8.053 7.895 6.816 1.00 0.00 C ATOM 1394 CD2 TYR A 93 7.291 8.192 4.587 1.00 0.00 C ATOM 1395 CE1 TYR A 93 8.447 9.218 6.865 1.00 0.00 C ATOM 1396 CE2 TYR A 93 7.677 9.517 4.620 1.00 0.00 C ATOM 1397 CZ TYR A 93 8.256 10.026 5.762 1.00 0.00 C ATOM 1398 OH TYR A 93 8.638 11.347 5.804 1.00 0.00 O ATOM 0 H TYR A 93 8.294 5.074 3.112 1.00 0.00 H new ATOM 0 HA TYR A 93 8.831 4.891 5.996 1.00 0.00 H new ATOM 0 HB2 TYR A 93 6.186 5.866 4.895 1.00 0.00 H new ATOM 0 HB3 TYR A 93 6.621 5.647 6.579 1.00 0.00 H new ATOM 0 HD1 TYR A 93 8.201 7.262 7.679 1.00 0.00 H new ATOM 0 HD2 TYR A 93 6.840 7.795 3.690 1.00 0.00 H new ATOM 0 HE1 TYR A 93 8.901 9.617 7.760 1.00 0.00 H new ATOM 0 HE2 TYR A 93 7.526 10.150 3.758 1.00 0.00 H new ATOM 0 HH TYR A 93 9.402 11.447 6.409 1.00 0.00 H new ATOM 1408 N TYR A 94 6.609 3.157 5.896 1.00 0.00 N ATOM 1409 CA TYR A 94 6.086 1.797 5.927 1.00 0.00 C ATOM 1410 C TYR A 94 4.697 1.770 6.554 1.00 0.00 C ATOM 1411 O TYR A 94 4.471 2.390 7.595 1.00 0.00 O ATOM 1412 CB TYR A 94 7.025 0.918 6.758 1.00 0.00 C ATOM 1413 CG TYR A 94 7.537 -0.310 6.040 1.00 0.00 C ATOM 1414 CD1 TYR A 94 8.336 -0.197 4.911 1.00 0.00 C ATOM 1415 CD2 TYR A 94 7.242 -1.585 6.510 1.00 0.00 C ATOM 1416 CE1 TYR A 94 8.827 -1.317 4.269 1.00 0.00 C ATOM 1417 CE2 TYR A 94 7.727 -2.708 5.869 1.00 0.00 C ATOM 1418 CZ TYR A 94 8.519 -2.570 4.752 1.00 0.00 C ATOM 1419 OH TYR A 94 9.016 -3.687 4.119 1.00 0.00 O ATOM 0 H TYR A 94 6.254 3.759 6.639 1.00 0.00 H new ATOM 0 HA TYR A 94 6.019 1.423 4.905 1.00 0.00 H new ATOM 0 HB2 TYR A 94 7.877 1.519 7.076 1.00 0.00 H new ATOM 0 HB3 TYR A 94 6.502 0.603 7.661 1.00 0.00 H new ATOM 0 HD1 TYR A 94 8.578 0.783 4.528 1.00 0.00 H new ATOM 0 HD2 TYR A 94 6.625 -1.699 7.389 1.00 0.00 H new ATOM 0 HE1 TYR A 94 9.449 -1.211 3.393 1.00 0.00 H new ATOM 0 HE2 TYR A 94 7.485 -3.692 6.243 1.00 0.00 H new ATOM 0 HH TYR A 94 8.303 -4.352 4.022 1.00 0.00 H new ATOM 1429 N ASP A 95 3.766 1.066 5.927 1.00 0.00 N ATOM 1430 CA ASP A 95 2.462 0.849 6.537 1.00 0.00 C ATOM 1431 C ASP A 95 2.225 -0.637 6.741 1.00 0.00 C ATOM 1432 O ASP A 95 1.798 -1.346 5.830 1.00 0.00 O ATOM 1433 CB ASP A 95 1.327 1.454 5.709 1.00 0.00 C ATOM 1434 CG ASP A 95 0.005 1.389 6.453 1.00 0.00 C ATOM 1435 OD1 ASP A 95 0.030 1.371 7.707 1.00 0.00 O ATOM 1436 OD2 ASP A 95 -1.058 1.376 5.799 1.00 0.00 O ATOM 0 H ASP A 95 3.886 0.640 5.008 1.00 0.00 H new ATOM 0 HA ASP A 95 2.465 1.356 7.502 1.00 0.00 H new ATOM 0 HB2 ASP A 95 1.561 2.491 5.470 1.00 0.00 H new ATOM 0 HB3 ASP A 95 1.240 0.921 4.762 1.00 0.00 H new ATOM 1441 N ASN A 96 2.538 -1.103 7.937 1.00 0.00 N ATOM 1442 CA ASN A 96 2.410 -2.512 8.278 1.00 0.00 C ATOM 1443 C ASN A 96 1.551 -2.677 9.518 1.00 0.00 C ATOM 1444 O ASN A 96 1.703 -3.655 10.265 1.00 0.00 O ATOM 1445 CB ASN A 96 3.797 -3.128 8.522 1.00 0.00 C ATOM 1446 CG ASN A 96 4.527 -2.512 9.708 1.00 0.00 C ATOM 1447 OD1 ASN A 96 4.346 -1.336 10.029 1.00 0.00 O ATOM 1448 ND2 ASN A 96 5.364 -3.301 10.361 1.00 0.00 N ATOM 0 H ASN A 96 2.887 -0.520 8.698 1.00 0.00 H new ATOM 0 HA ASN A 96 1.933 -3.028 7.444 1.00 0.00 H new ATOM 0 HB2 ASN A 96 3.687 -4.200 8.688 1.00 0.00 H new ATOM 0 HB3 ASN A 96 4.405 -3.005 7.626 1.00 0.00 H new ATOM 0 HD21 ASN A 96 5.886 -2.941 11.160 1.00 0.00 H new ATOM 0 HD22 ASN A 96 5.487 -4.269 10.066 1.00 0.00 H new ATOM 1455 N ASN A 97 0.644 -1.714 9.723 1.00 0.00 N ATOM 1456 CA ASN A 97 -0.169 -1.618 10.944 1.00 0.00 C ATOM 1457 C ASN A 97 0.700 -1.151 12.106 1.00 0.00 C ATOM 1458 O ASN A 97 0.433 -0.125 12.734 1.00 0.00 O ATOM 1459 CB ASN A 97 -0.837 -2.958 11.300 1.00 0.00 C ATOM 1460 CG ASN A 97 -1.897 -3.395 10.307 1.00 0.00 C ATOM 1461 OD1 ASN A 97 -1.795 -3.136 9.111 1.00 0.00 O ATOM 1462 ND2 ASN A 97 -2.928 -4.058 10.806 1.00 0.00 N ATOM 0 H ASN A 97 0.452 -0.976 9.045 1.00 0.00 H new ATOM 0 HA ASN A 97 -0.962 -0.894 10.756 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -0.070 -3.730 11.363 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -1.289 -2.877 12.288 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -3.677 -4.375 10.190 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -2.974 -4.252 11.806 1.00 0.00 H new ATOM 1469 N ASN A 98 1.741 -1.930 12.361 1.00 0.00 N ATOM 1470 CA ASN A 98 2.758 -1.646 13.366 1.00 0.00 C ATOM 1471 C ASN A 98 3.725 -2.814 13.367 1.00 0.00 C ATOM 1472 O ASN A 98 4.941 -2.651 13.287 1.00 0.00 O ATOM 1473 CB ASN A 98 2.156 -1.473 14.765 1.00 0.00 C ATOM 1474 CG ASN A 98 3.178 -0.975 15.774 1.00 0.00 C ATOM 1475 OD1 ASN A 98 3.138 -1.339 16.950 1.00 0.00 O ATOM 1476 ND2 ASN A 98 4.085 -0.119 15.328 1.00 0.00 N ATOM 0 H ASN A 98 1.907 -2.803 11.860 1.00 0.00 H new ATOM 0 HA ASN A 98 3.256 -0.708 13.120 1.00 0.00 H new ATOM 0 HB2 ASN A 98 1.324 -0.770 14.716 1.00 0.00 H new ATOM 0 HB3 ASN A 98 1.749 -2.426 15.103 1.00 0.00 H new ATOM 0 HD21 ASN A 98 4.783 0.263 15.966 1.00 0.00 H new ATOM 0 HD22 ASN A 98 4.085 0.158 14.346 1.00 0.00 H new ATOM 1483 N SER A 99 3.141 -4.000 13.426 1.00 0.00 N ATOM 1484 CA SER A 99 3.872 -5.249 13.326 1.00 0.00 C ATOM 1485 C SER A 99 2.888 -6.384 13.055 1.00 0.00 C ATOM 1486 O SER A 99 3.116 -7.528 13.444 1.00 0.00 O ATOM 1487 CB SER A 99 4.645 -5.508 14.622 1.00 0.00 C ATOM 1488 OG SER A 99 3.792 -5.393 15.750 1.00 0.00 O ATOM 0 H SER A 99 2.135 -4.122 13.546 1.00 0.00 H new ATOM 0 HA SER A 99 4.588 -5.191 12.506 1.00 0.00 H new ATOM 0 HB2 SER A 99 5.086 -6.504 14.594 1.00 0.00 H new ATOM 0 HB3 SER A 99 5.467 -4.798 14.708 1.00 0.00 H new ATOM 0 HG SER A 99 4.305 -5.564 16.567 1.00 0.00 H new ATOM 1494 N ALA A 100 1.790 -6.052 12.380 1.00 0.00 N ATOM 1495 CA ALA A 100 0.688 -6.991 12.215 1.00 0.00 C ATOM 1496 C ALA A 100 0.641 -7.592 10.814 1.00 0.00 C ATOM 1497 O ALA A 100 0.304 -8.763 10.674 1.00 0.00 O ATOM 1498 CB ALA A 100 -0.630 -6.307 12.531 1.00 0.00 C ATOM 0 H ALA A 100 1.642 -5.143 11.941 1.00 0.00 H new ATOM 0 HA ALA A 100 0.855 -7.811 12.914 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -1.448 -7.017 12.405 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -0.616 -5.948 13.560 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -0.774 -5.464 11.855 1.00 0.00 H new ATOM 1504 N ASN A 101 0.958 -6.774 9.794 1.00 0.00 N ATOM 1505 CA ASN A 101 0.981 -7.208 8.372 1.00 0.00 C ATOM 1506 C ASN A 101 -0.260 -7.988 7.972 1.00 0.00 C ATOM 1507 O ASN A 101 -0.360 -9.181 8.196 1.00 0.00 O ATOM 1508 CB ASN A 101 2.263 -7.978 7.995 1.00 0.00 C ATOM 1509 CG ASN A 101 2.627 -9.125 8.926 1.00 0.00 C ATOM 1510 OD1 ASN A 101 3.412 -8.957 9.864 1.00 0.00 O ATOM 1511 ND2 ASN A 101 2.061 -10.294 8.682 1.00 0.00 N ATOM 0 H ASN A 101 1.206 -5.793 9.925 1.00 0.00 H new ATOM 0 HA ASN A 101 0.982 -6.283 7.796 1.00 0.00 H new ATOM 0 HB2 ASN A 101 2.147 -8.373 6.986 1.00 0.00 H new ATOM 0 HB3 ASN A 101 3.095 -7.275 7.968 1.00 0.00 H new ATOM 0 HD21 ASN A 101 2.268 -11.095 9.278 1.00 0.00 H new ATOM 0 HD22 ASN A 101 1.417 -10.395 7.897 1.00 0.00 H new ATOM 1518 N TYR A 102 -1.160 -7.292 7.285 1.00 0.00 N ATOM 1519 CA TYR A 102 -2.509 -7.799 7.027 1.00 0.00 C ATOM 1520 C TYR A 102 -2.459 -9.207 6.446 1.00 0.00 C ATOM 1521 O TYR A 102 -1.917 -9.424 5.359 1.00 0.00 O ATOM 1522 CB TYR A 102 -3.305 -6.903 6.065 1.00 0.00 C ATOM 1523 CG TYR A 102 -2.726 -5.527 5.795 1.00 0.00 C ATOM 1524 CD1 TYR A 102 -1.707 -5.365 4.872 1.00 0.00 C ATOM 1525 CD2 TYR A 102 -3.223 -4.392 6.427 1.00 0.00 C ATOM 1526 CE1 TYR A 102 -1.193 -4.122 4.582 1.00 0.00 C ATOM 1527 CE2 TYR A 102 -2.706 -3.136 6.144 1.00 0.00 C ATOM 1528 CZ TYR A 102 -1.692 -3.008 5.220 1.00 0.00 C ATOM 1529 OH TYR A 102 -1.184 -1.764 4.919 1.00 0.00 O ATOM 0 H TYR A 102 -0.980 -6.368 6.893 1.00 0.00 H new ATOM 0 HA TYR A 102 -3.016 -7.805 7.992 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -3.404 -7.425 5.113 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -4.311 -6.778 6.466 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -1.307 -6.233 4.369 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -4.022 -4.490 7.147 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -0.400 -4.020 3.856 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -3.096 -2.263 6.646 1.00 0.00 H new ATOM 0 HH TYR A 102 -0.257 -1.705 5.231 1.00 0.00 H new ATOM 1539 N GLN A 103 -3.005 -10.156 7.186 1.00 0.00 N ATOM 1540 CA GLN A 103 -3.022 -11.539 6.755 1.00 0.00 C ATOM 1541 C GLN A 103 -4.261 -11.817 5.932 1.00 0.00 C ATOM 1542 O GLN A 103 -5.391 -11.578 6.366 1.00 0.00 O ATOM 1543 CB GLN A 103 -2.919 -12.521 7.930 1.00 0.00 C ATOM 1544 CG GLN A 103 -3.580 -12.062 9.220 1.00 0.00 C ATOM 1545 CD GLN A 103 -2.852 -10.924 9.936 1.00 0.00 C ATOM 1546 OE1 GLN A 103 -3.483 -10.113 10.613 1.00 0.00 O ATOM 1547 NE2 GLN A 103 -1.533 -10.856 9.807 1.00 0.00 N ATOM 0 H GLN A 103 -3.444 -9.991 8.092 1.00 0.00 H new ATOM 0 HA GLN A 103 -2.139 -11.695 6.135 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -3.365 -13.469 7.630 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -1.865 -12.714 8.130 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -4.598 -11.742 8.998 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -3.654 -12.912 9.898 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -1.040 -11.544 9.238 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -1.012 -10.115 10.277 1.00 0.00 H new ATOM 1556 N VAL A 104 -4.028 -12.320 4.741 1.00 0.00 N ATOM 1557 CA VAL A 104 -5.083 -12.548 3.771 1.00 0.00 C ATOM 1558 C VAL A 104 -5.539 -14.001 3.808 1.00 0.00 C ATOM 1559 O VAL A 104 -4.747 -14.906 4.086 1.00 0.00 O ATOM 1560 CB VAL A 104 -4.612 -12.218 2.342 1.00 0.00 C ATOM 1561 CG1 VAL A 104 -5.807 -12.058 1.414 1.00 0.00 C ATOM 1562 CG2 VAL A 104 -3.733 -10.974 2.330 1.00 0.00 C ATOM 0 H VAL A 104 -3.099 -12.585 4.413 1.00 0.00 H new ATOM 0 HA VAL A 104 -5.911 -11.890 4.036 1.00 0.00 H new ATOM 0 HB VAL A 104 -4.008 -13.049 1.978 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -5.458 -11.825 0.408 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -6.379 -12.986 1.394 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -6.442 -11.248 1.774 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -3.414 -10.764 1.309 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -4.298 -10.126 2.716 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -2.857 -11.142 2.956 1.00 0.00 H new ATOM 1572 N SER A 105 -6.809 -14.214 3.515 1.00 0.00 N ATOM 1573 CA SER A 105 -7.378 -15.550 3.506 1.00 0.00 C ATOM 1574 C SER A 105 -7.364 -16.122 2.089 1.00 0.00 C ATOM 1575 O SER A 105 -8.388 -16.167 1.404 1.00 0.00 O ATOM 1576 CB SER A 105 -8.799 -15.513 4.067 1.00 0.00 C ATOM 1577 OG SER A 105 -8.812 -14.927 5.360 1.00 0.00 O ATOM 0 H SER A 105 -7.470 -13.474 3.279 1.00 0.00 H new ATOM 0 HA SER A 105 -6.774 -16.201 4.138 1.00 0.00 H new ATOM 0 HB2 SER A 105 -9.445 -14.944 3.398 1.00 0.00 H new ATOM 0 HB3 SER A 105 -9.202 -16.524 4.116 1.00 0.00 H new ATOM 0 HG SER A 105 -9.730 -14.910 5.702 1.00 0.00 H new ATOM 1583 N THR A 106 -6.186 -16.529 1.648 1.00 0.00 N ATOM 1584 CA THR A 106 -6.026 -17.132 0.340 1.00 0.00 C ATOM 1585 C THR A 106 -5.641 -18.596 0.495 1.00 0.00 C ATOM 1586 O THR A 106 -6.489 -19.463 0.211 1.00 0.00 O ATOM 1587 CB THR A 106 -4.952 -16.399 -0.489 1.00 0.00 C ATOM 1588 OG1 THR A 106 -5.189 -14.985 -0.451 1.00 0.00 O ATOM 1589 CG2 THR A 106 -4.959 -16.877 -1.934 1.00 0.00 C ATOM 1590 OXT THR A 106 -4.510 -18.867 0.953 1.00 0.00 O ATOM 0 H THR A 106 -5.321 -16.451 2.183 1.00 0.00 H new ATOM 0 HA THR A 106 -6.976 -17.052 -0.189 1.00 0.00 H new ATOM 0 HB THR A 106 -3.977 -16.620 -0.055 1.00 0.00 H new ATOM 0 HG1 THR A 106 -4.483 -14.549 0.070 1.00 0.00 H new ATOM 0 HG21 THR A 106 -4.193 -16.345 -2.497 1.00 0.00 H new ATOM 0 HG22 THR A 106 -4.754 -17.947 -1.964 1.00 0.00 H new ATOM 0 HG23 THR A 106 -5.936 -16.682 -2.377 1.00 0.00 H new TER 1598 THR A 106