USER MOD reduce.3.24.130724 H: found=0, std=0, add=783, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 784 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 92 SER OG : rot 115:sc= 2.22 USER MOD Set 1.2: A 114 LYS NZ :NH3+ -160:sc= 1.22 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ -140:sc= -2.01 (180deg=-3.38!) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 MET CE :methyl 163:sc= -0.921 (180deg=-1.3) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 MET CE :methyl -175:sc= 0 (180deg=-0.0329) USER MOD Single : A 38 ASN : amide:sc= -0.0236 K(o=-0.024,f=-1) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.00983 USER MOD Single : A 42 ASN : amide:sc= -0.224 K(o=-0.22,f=-1.3!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0218) USER MOD Single : A 57 ASN : amide:sc= -1.39 K(o=-1.4,f=-3!) USER MOD Single : A 60 ASN : amide:sc= -0.86 K(o=-0.86,f=-8.7!) USER MOD Single : A 65 TYR OH : rot 180:sc= -0.0379 USER MOD Single : A 69 ASN : amide:sc= -1.37 K(o=-1.4,f=-9.8!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ -134:sc= 0.125 (180deg=-1.06!) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -0.0207 K(o=-0.021,f=-0.96) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 64:sc= -0.209 USER MOD Single : A 101 SER OG : rot -116:sc= -3.21! USER MOD Single : A 103 LYS NZ :NH3+ -161:sc= -0.0931 (180deg=-0.518) USER MOD Single : A 105 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 108 LYS NZ :NH3+ 170:sc= -6.86! (180deg=-7.53!) USER MOD Single : A 112 GLN : amide:sc= -0.986 K(o=-0.99,f=-5.4!) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 39 N ASN A 19 -15.239 -0.285 6.752 1.00 0.00 N ATOM 40 CA ASN A 19 -14.243 0.522 7.451 1.00 0.00 C ATOM 41 C ASN A 19 -12.882 -0.168 7.450 1.00 0.00 C ATOM 42 O ASN A 19 -12.786 -1.391 7.562 1.00 0.00 O ATOM 43 CB ASN A 19 -14.667 0.801 8.897 1.00 0.00 C ATOM 44 CG ASN A 19 -15.940 1.616 8.988 1.00 0.00 C ATOM 45 OD1 ASN A 19 -15.904 2.847 8.948 1.00 0.00 O ATOM 46 ND2 ASN A 19 -17.071 0.945 9.132 1.00 0.00 N ATOM 0 HA ASN A 19 -14.166 1.469 6.917 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -14.809 -0.146 9.418 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -13.864 1.330 9.410 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -17.955 1.447 9.214 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -17.059 -0.075 9.161 1.00 0.00 H new ATOM 53 N PRO A 20 -11.812 0.636 7.346 1.00 0.00 N ATOM 54 CA PRO A 20 -10.441 0.135 7.232 1.00 0.00 C ATOM 55 C PRO A 20 -9.996 -0.577 8.496 1.00 0.00 C ATOM 56 O PRO A 20 -9.078 -1.394 8.475 1.00 0.00 O ATOM 57 CB PRO A 20 -9.587 1.389 7.017 1.00 0.00 C ATOM 58 CG PRO A 20 -10.533 2.530 6.843 1.00 0.00 C ATOM 59 CD PRO A 20 -11.868 2.101 7.371 1.00 0.00 C ATOM 0 HA PRO A 20 -10.351 -0.590 6.423 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -8.929 1.559 7.869 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -8.950 1.277 6.139 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -10.174 3.409 7.379 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -10.609 2.807 5.791 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -12.036 2.476 8.381 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -12.681 2.479 6.751 1.00 0.00 H new ATOM 67 N GLU A 21 -10.667 -0.247 9.591 1.00 0.00 N ATOM 68 CA GLU A 21 -10.372 -0.815 10.902 1.00 0.00 C ATOM 69 C GLU A 21 -10.540 -2.332 10.892 1.00 0.00 C ATOM 70 O GLU A 21 -9.790 -3.058 11.544 1.00 0.00 O ATOM 71 CB GLU A 21 -11.318 -0.233 11.950 1.00 0.00 C ATOM 72 CG GLU A 21 -11.643 1.237 11.747 1.00 0.00 C ATOM 73 CD GLU A 21 -12.688 1.729 12.723 1.00 0.00 C ATOM 74 OE1 GLU A 21 -13.826 1.217 12.695 1.00 0.00 O ATOM 75 OE2 GLU A 21 -12.376 2.626 13.531 1.00 0.00 O ATOM 0 H GLU A 21 -11.435 0.425 9.596 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.339 -0.567 11.145 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -12.247 -0.803 11.942 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -10.873 -0.362 12.937 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -10.734 1.828 11.861 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -11.998 1.392 10.728 1.00 0.00 H new ATOM 82 N ASP A 22 -11.534 -2.798 10.148 1.00 0.00 N ATOM 83 CA ASP A 22 -11.889 -4.213 10.131 1.00 0.00 C ATOM 84 C ASP A 22 -10.901 -5.025 9.299 1.00 0.00 C ATOM 85 O ASP A 22 -10.881 -6.257 9.361 1.00 0.00 O ATOM 86 CB ASP A 22 -13.308 -4.401 9.591 1.00 0.00 C ATOM 87 CG ASP A 22 -14.364 -3.789 10.489 1.00 0.00 C ATOM 88 OD1 ASP A 22 -14.615 -2.567 10.376 1.00 0.00 O ATOM 89 OD2 ASP A 22 -14.955 -4.523 11.308 1.00 0.00 O ATOM 0 H ASP A 22 -12.113 -2.214 9.544 1.00 0.00 H new ATOM 0 HA ASP A 22 -11.847 -4.577 11.157 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -13.377 -3.953 8.600 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -13.509 -5.466 9.475 1.00 0.00 H new ATOM 94 N PHE A 23 -10.076 -4.337 8.525 1.00 0.00 N ATOM 95 CA PHE A 23 -9.053 -4.994 7.733 1.00 0.00 C ATOM 96 C PHE A 23 -7.883 -5.377 8.625 1.00 0.00 C ATOM 97 O PHE A 23 -7.502 -4.631 9.525 1.00 0.00 O ATOM 98 CB PHE A 23 -8.570 -4.079 6.603 1.00 0.00 C ATOM 99 CG PHE A 23 -9.559 -3.911 5.482 1.00 0.00 C ATOM 100 CD1 PHE A 23 -10.653 -3.071 5.617 1.00 0.00 C ATOM 101 CD2 PHE A 23 -9.387 -4.592 4.286 1.00 0.00 C ATOM 102 CE1 PHE A 23 -11.557 -2.914 4.582 1.00 0.00 C ATOM 103 CE2 PHE A 23 -10.286 -4.438 3.248 1.00 0.00 C ATOM 104 CZ PHE A 23 -11.372 -3.599 3.397 1.00 0.00 C ATOM 0 H PHE A 23 -10.097 -3.322 8.430 1.00 0.00 H new ATOM 0 HA PHE A 23 -9.481 -5.893 7.288 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -8.338 -3.098 7.018 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -7.642 -4.481 6.197 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -10.801 -2.533 6.541 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -8.540 -5.251 4.165 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -12.406 -2.257 4.700 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -10.139 -4.973 2.322 1.00 0.00 H new ATOM 0 HZ PHE A 23 -12.077 -3.478 2.587 1.00 0.00 H new ATOM 114 N LYS A 24 -7.316 -6.541 8.366 1.00 0.00 N ATOM 115 CA LYS A 24 -6.207 -7.045 9.158 1.00 0.00 C ATOM 116 C LYS A 24 -4.943 -6.288 8.789 1.00 0.00 C ATOM 117 O LYS A 24 -4.001 -6.183 9.579 1.00 0.00 O ATOM 118 CB LYS A 24 -6.019 -8.543 8.925 1.00 0.00 C ATOM 119 CG LYS A 24 -5.029 -9.177 9.882 1.00 0.00 C ATOM 120 CD LYS A 24 -5.554 -9.187 11.308 1.00 0.00 C ATOM 121 CE LYS A 24 -4.538 -9.777 12.268 1.00 0.00 C ATOM 122 NZ LYS A 24 -5.031 -9.772 13.668 1.00 0.00 N ATOM 0 H LYS A 24 -7.607 -7.159 7.609 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.423 -6.893 10.216 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -6.982 -9.043 9.025 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.680 -8.705 7.902 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -4.819 -10.198 9.564 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -4.086 -8.631 9.845 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -5.798 -8.170 11.614 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -6.478 -9.764 11.353 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -4.306 -10.799 11.968 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -3.610 -9.209 12.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -4.308 -10.183 14.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -5.228 -8.794 13.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -5.903 -10.335 13.731 1.00 0.00 H new ATOM 136 N VAL A 25 -4.945 -5.747 7.579 1.00 0.00 N ATOM 137 CA VAL A 25 -3.849 -4.924 7.101 1.00 0.00 C ATOM 138 C VAL A 25 -3.815 -3.597 7.855 1.00 0.00 C ATOM 139 O VAL A 25 -2.823 -2.896 7.819 1.00 0.00 O ATOM 140 CB VAL A 25 -3.960 -4.658 5.579 1.00 0.00 C ATOM 141 CG1 VAL A 25 -4.668 -5.801 4.877 1.00 0.00 C ATOM 142 CG2 VAL A 25 -4.650 -3.336 5.278 1.00 0.00 C ATOM 0 H VAL A 25 -5.702 -5.866 6.906 1.00 0.00 H new ATOM 0 HA VAL A 25 -2.923 -5.469 7.284 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.943 -4.590 5.193 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -4.732 -5.589 3.810 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -4.109 -6.724 5.030 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -5.672 -5.913 5.286 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -4.705 -3.192 4.199 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -5.657 -3.348 5.695 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.083 -2.519 5.725 1.00 0.00 H new ATOM 152 N PHE A 26 -4.900 -3.257 8.547 1.00 0.00 N ATOM 153 CA PHE A 26 -4.953 -2.005 9.292 1.00 0.00 C ATOM 154 C PHE A 26 -3.833 -1.952 10.326 1.00 0.00 C ATOM 155 O PHE A 26 -3.007 -1.046 10.311 1.00 0.00 O ATOM 156 CB PHE A 26 -6.312 -1.836 9.977 1.00 0.00 C ATOM 157 CG PHE A 26 -6.440 -0.561 10.763 1.00 0.00 C ATOM 158 CD1 PHE A 26 -6.499 0.664 10.118 1.00 0.00 C ATOM 159 CD2 PHE A 26 -6.500 -0.588 12.149 1.00 0.00 C ATOM 160 CE1 PHE A 26 -6.617 1.837 10.840 1.00 0.00 C ATOM 161 CE2 PHE A 26 -6.618 0.582 12.874 1.00 0.00 C ATOM 162 CZ PHE A 26 -6.675 1.796 12.219 1.00 0.00 C ATOM 0 H PHE A 26 -5.745 -3.825 8.607 1.00 0.00 H new ATOM 0 HA PHE A 26 -4.819 -1.185 8.586 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -7.096 -1.866 9.220 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -6.480 -2.682 10.644 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -6.452 0.703 9.040 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -6.454 -1.535 12.667 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -6.664 2.785 10.325 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -6.666 0.547 13.952 1.00 0.00 H new ATOM 0 HZ PHE A 26 -6.765 2.712 12.784 1.00 0.00 H new ATOM 172 N LYS A 27 -3.793 -2.948 11.198 1.00 0.00 N ATOM 173 CA LYS A 27 -2.794 -3.006 12.255 1.00 0.00 C ATOM 174 C LYS A 27 -1.411 -3.272 11.668 1.00 0.00 C ATOM 175 O LYS A 27 -0.408 -2.768 12.168 1.00 0.00 O ATOM 176 CB LYS A 27 -3.189 -4.085 13.261 1.00 0.00 C ATOM 177 CG LYS A 27 -2.849 -3.735 14.702 1.00 0.00 C ATOM 178 CD LYS A 27 -1.358 -3.842 14.984 1.00 0.00 C ATOM 179 CE LYS A 27 -0.825 -5.188 14.541 1.00 0.00 C ATOM 180 NZ LYS A 27 0.541 -5.461 15.058 1.00 0.00 N ATOM 0 H LYS A 27 -4.445 -3.732 11.194 1.00 0.00 H new ATOM 0 HA LYS A 27 -2.750 -2.047 12.771 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -4.261 -4.265 13.184 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -2.689 -5.017 12.996 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.186 -2.721 14.917 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -3.392 -4.400 15.373 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -0.826 -3.045 14.463 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.174 -3.705 16.050 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -1.501 -5.972 14.881 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.812 -5.229 13.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 1.106 -5.923 14.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.994 -4.566 15.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 0.480 -6.085 15.887 1.00 0.00 H new ATOM 194 N TYR A 28 -1.364 -4.040 10.593 1.00 0.00 N ATOM 195 CA TYR A 28 -0.099 -4.352 9.940 1.00 0.00 C ATOM 196 C TYR A 28 0.485 -3.127 9.239 1.00 0.00 C ATOM 197 O TYR A 28 1.647 -2.788 9.436 1.00 0.00 O ATOM 198 CB TYR A 28 -0.280 -5.506 8.957 1.00 0.00 C ATOM 199 CG TYR A 28 -0.139 -6.867 9.600 1.00 0.00 C ATOM 200 CD1 TYR A 28 1.044 -7.225 10.229 1.00 0.00 C ATOM 201 CD2 TYR A 28 -1.171 -7.793 9.569 1.00 0.00 C ATOM 202 CE1 TYR A 28 1.199 -8.464 10.809 1.00 0.00 C ATOM 203 CE2 TYR A 28 -1.027 -9.038 10.152 1.00 0.00 C ATOM 204 CZ TYR A 28 0.162 -9.369 10.771 1.00 0.00 C ATOM 205 OH TYR A 28 0.316 -10.609 11.351 1.00 0.00 O ATOM 0 H TYR A 28 -2.183 -4.459 10.153 1.00 0.00 H new ATOM 0 HA TYR A 28 0.611 -4.658 10.709 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -1.265 -5.430 8.496 1.00 0.00 H new ATOM 0 HB3 TYR A 28 0.455 -5.412 8.157 1.00 0.00 H new ATOM 0 HD1 TYR A 28 1.860 -6.518 10.265 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -2.101 -7.538 9.082 1.00 0.00 H new ATOM 0 HE1 TYR A 28 2.129 -8.725 11.291 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -1.840 -9.748 10.123 1.00 0.00 H new ATOM 0 HH TYR A 28 -0.508 -11.127 11.238 1.00 0.00 H new ATOM 215 N MET A 29 -0.320 -2.466 8.426 1.00 0.00 N ATOM 216 CA MET A 29 0.091 -1.236 7.764 1.00 0.00 C ATOM 217 C MET A 29 0.409 -0.140 8.779 1.00 0.00 C ATOM 218 O MET A 29 1.289 0.688 8.553 1.00 0.00 O ATOM 219 CB MET A 29 -1.000 -0.758 6.805 1.00 0.00 C ATOM 220 CG MET A 29 -0.978 -1.434 5.440 1.00 0.00 C ATOM 221 SD MET A 29 -0.928 -3.233 5.515 1.00 0.00 S ATOM 222 CE MET A 29 -0.946 -3.633 3.771 1.00 0.00 C ATOM 0 H MET A 29 -1.271 -2.762 8.206 1.00 0.00 H new ATOM 0 HA MET A 29 0.997 -1.449 7.198 1.00 0.00 H new ATOM 0 HB2 MET A 29 -1.973 -0.929 7.266 1.00 0.00 H new ATOM 0 HB3 MET A 29 -0.898 0.318 6.666 1.00 0.00 H new ATOM 0 HG2 MET A 29 -1.862 -1.128 4.880 1.00 0.00 H new ATOM 0 HG3 MET A 29 -0.110 -1.079 4.884 1.00 0.00 H new ATOM 0 HE1 MET A 29 -0.620 -4.664 3.631 1.00 0.00 H new ATOM 0 HE2 MET A 29 -1.957 -3.516 3.381 1.00 0.00 H new ATOM 0 HE3 MET A 29 -0.272 -2.963 3.237 1.00 0.00 H new ATOM 232 N LYS A 30 -0.305 -0.138 9.899 1.00 0.00 N ATOM 233 CA LYS A 30 -0.058 0.842 10.950 1.00 0.00 C ATOM 234 C LYS A 30 1.298 0.625 11.611 1.00 0.00 C ATOM 235 O LYS A 30 1.955 1.584 12.016 1.00 0.00 O ATOM 236 CB LYS A 30 -1.169 0.818 12.006 1.00 0.00 C ATOM 237 CG LYS A 30 -2.414 1.616 11.626 1.00 0.00 C ATOM 238 CD LYS A 30 -2.092 3.046 11.201 1.00 0.00 C ATOM 239 CE LYS A 30 -1.364 3.808 12.293 1.00 0.00 C ATOM 240 NZ LYS A 30 -1.202 5.250 11.954 1.00 0.00 N ATOM 0 H LYS A 30 -1.055 -0.799 10.102 1.00 0.00 H new ATOM 0 HA LYS A 30 -0.053 1.823 10.475 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -1.457 -0.217 12.190 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -0.772 1.210 12.943 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -2.932 1.108 10.812 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -3.098 1.639 12.474 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -1.479 3.028 10.300 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -3.016 3.567 10.948 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -1.915 3.715 13.229 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -0.383 3.361 12.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -0.700 5.734 12.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -0.654 5.340 11.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -2.138 5.684 11.825 1.00 0.00 H new ATOM 254 N ILE A 31 1.724 -0.624 11.729 1.00 0.00 N ATOM 255 CA ILE A 31 3.040 -0.901 12.281 1.00 0.00 C ATOM 256 C ILE A 31 4.093 -0.824 11.183 1.00 0.00 C ATOM 257 O ILE A 31 5.265 -0.627 11.460 1.00 0.00 O ATOM 258 CB ILE A 31 3.115 -2.265 12.997 1.00 0.00 C ATOM 259 CG1 ILE A 31 3.016 -3.422 11.997 1.00 0.00 C ATOM 260 CG2 ILE A 31 2.024 -2.357 14.055 1.00 0.00 C ATOM 261 CD1 ILE A 31 3.041 -4.793 12.638 1.00 0.00 C ATOM 0 H ILE A 31 1.188 -1.448 11.455 1.00 0.00 H new ATOM 0 HA ILE A 31 3.236 -0.139 13.035 1.00 0.00 H new ATOM 0 HB ILE A 31 4.084 -2.346 13.490 1.00 0.00 H new ATOM 0 HG12 ILE A 31 2.094 -3.316 11.425 1.00 0.00 H new ATOM 0 HG13 ILE A 31 3.841 -3.348 11.289 1.00 0.00 H new ATOM 0 HG21 ILE A 31 2.084 -3.323 14.556 1.00 0.00 H new ATOM 0 HG22 ILE A 31 2.158 -1.560 14.786 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.048 -2.254 13.581 1.00 0.00 H new ATOM 0 HD11 ILE A 31 2.967 -5.558 11.865 1.00 0.00 H new ATOM 0 HD12 ILE A 31 3.974 -4.921 13.187 1.00 0.00 H new ATOM 0 HD13 ILE A 31 2.200 -4.889 13.325 1.00 0.00 H new ATOM 273 N LEU A 32 3.654 -0.976 9.936 1.00 0.00 N ATOM 274 CA LEU A 32 4.507 -0.743 8.775 1.00 0.00 C ATOM 275 C LEU A 32 4.946 0.718 8.781 1.00 0.00 C ATOM 276 O LEU A 32 6.129 1.029 8.636 1.00 0.00 O ATOM 277 CB LEU A 32 3.724 -1.089 7.494 1.00 0.00 C ATOM 278 CG LEU A 32 4.529 -1.171 6.189 1.00 0.00 C ATOM 279 CD1 LEU A 32 3.720 -1.885 5.120 1.00 0.00 C ATOM 280 CD2 LEU A 32 4.915 0.214 5.698 1.00 0.00 C ATOM 0 H LEU A 32 2.703 -1.262 9.703 1.00 0.00 H new ATOM 0 HA LEU A 32 5.394 -1.375 8.810 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.228 -2.048 7.648 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.941 -0.343 7.363 1.00 0.00 H new ATOM 0 HG LEU A 32 5.441 -1.733 6.390 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.300 -1.937 4.199 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.482 -2.894 5.457 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.796 -1.337 4.936 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.484 0.126 4.773 1.00 0.00 H new ATOM 0 HD22 LEU A 32 4.014 0.800 5.516 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.524 0.711 6.453 1.00 0.00 H new ATOM 292 N GLU A 33 3.959 1.590 8.970 1.00 0.00 N ATOM 293 CA GLU A 33 4.158 3.023 9.153 1.00 0.00 C ATOM 294 C GLU A 33 5.318 3.293 10.111 1.00 0.00 C ATOM 295 O GLU A 33 6.234 4.059 9.809 1.00 0.00 O ATOM 296 CB GLU A 33 2.857 3.590 9.720 1.00 0.00 C ATOM 297 CG GLU A 33 2.504 4.987 9.260 1.00 0.00 C ATOM 298 CD GLU A 33 3.313 6.062 9.959 1.00 0.00 C ATOM 299 OE1 GLU A 33 3.120 6.245 11.177 1.00 0.00 O ATOM 300 OE2 GLU A 33 4.121 6.742 9.298 1.00 0.00 O ATOM 0 H GLU A 33 2.978 1.313 9.001 1.00 0.00 H new ATOM 0 HA GLU A 33 4.407 3.497 8.203 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.041 2.920 9.451 1.00 0.00 H new ATOM 0 HB3 GLU A 33 2.924 3.590 10.808 1.00 0.00 H new ATOM 0 HG2 GLU A 33 2.664 5.061 8.184 1.00 0.00 H new ATOM 0 HG3 GLU A 33 1.443 5.165 9.437 1.00 0.00 H new ATOM 307 N GLU A 34 5.270 2.637 11.255 1.00 0.00 N ATOM 308 CA GLU A 34 6.302 2.764 12.270 1.00 0.00 C ATOM 309 C GLU A 34 7.599 2.068 11.848 1.00 0.00 C ATOM 310 O GLU A 34 8.663 2.685 11.820 1.00 0.00 O ATOM 311 CB GLU A 34 5.788 2.161 13.580 1.00 0.00 C ATOM 312 CG GLU A 34 6.868 1.940 14.623 1.00 0.00 C ATOM 313 CD GLU A 34 6.345 1.231 15.854 1.00 0.00 C ATOM 314 OE1 GLU A 34 5.770 1.901 16.738 1.00 0.00 O ATOM 315 OE2 GLU A 34 6.504 -0.003 15.942 1.00 0.00 O ATOM 0 H GLU A 34 4.514 2.000 11.508 1.00 0.00 H new ATOM 0 HA GLU A 34 6.527 3.822 12.404 1.00 0.00 H new ATOM 0 HB2 GLU A 34 5.025 2.819 13.996 1.00 0.00 H new ATOM 0 HB3 GLU A 34 5.305 1.208 13.365 1.00 0.00 H new ATOM 0 HG2 GLU A 34 7.677 1.355 14.186 1.00 0.00 H new ATOM 0 HG3 GLU A 34 7.291 2.902 14.913 1.00 0.00 H new ATOM 322 N ALA A 35 7.482 0.797 11.486 1.00 0.00 N ATOM 323 CA ALA A 35 8.625 -0.096 11.329 1.00 0.00 C ATOM 324 C ALA A 35 9.579 0.348 10.230 1.00 0.00 C ATOM 325 O ALA A 35 10.795 0.244 10.391 1.00 0.00 O ATOM 326 CB ALA A 35 8.142 -1.514 11.067 1.00 0.00 C ATOM 0 H ALA A 35 6.585 0.352 11.291 1.00 0.00 H new ATOM 0 HA ALA A 35 9.187 -0.062 12.262 1.00 0.00 H new ATOM 0 HB1 ALA A 35 9.001 -2.175 10.951 1.00 0.00 H new ATOM 0 HB2 ALA A 35 7.534 -1.852 11.906 1.00 0.00 H new ATOM 0 HB3 ALA A 35 7.544 -1.532 10.156 1.00 0.00 H new ATOM 332 N MET A 36 9.035 0.840 9.123 1.00 0.00 N ATOM 333 CA MET A 36 9.853 1.266 7.995 1.00 0.00 C ATOM 334 C MET A 36 10.895 2.294 8.414 1.00 0.00 C ATOM 335 O MET A 36 12.055 2.213 8.007 1.00 0.00 O ATOM 336 CB MET A 36 8.966 1.827 6.890 1.00 0.00 C ATOM 337 CG MET A 36 8.200 0.752 6.150 1.00 0.00 C ATOM 338 SD MET A 36 9.265 -0.257 5.100 1.00 0.00 S ATOM 339 CE MET A 36 8.074 -1.393 4.394 1.00 0.00 C ATOM 0 H MET A 36 8.031 0.954 8.983 1.00 0.00 H new ATOM 0 HA MET A 36 10.386 0.393 7.618 1.00 0.00 H new ATOM 0 HB2 MET A 36 8.261 2.537 7.322 1.00 0.00 H new ATOM 0 HB3 MET A 36 9.582 2.381 6.182 1.00 0.00 H new ATOM 0 HG2 MET A 36 7.693 0.111 6.871 1.00 0.00 H new ATOM 0 HG3 MET A 36 7.427 1.217 5.538 1.00 0.00 H new ATOM 0 HE1 MET A 36 8.594 -2.137 3.791 1.00 0.00 H new ATOM 0 HE2 MET A 36 7.528 -1.892 5.195 1.00 0.00 H new ATOM 0 HE3 MET A 36 7.373 -0.842 3.766 1.00 0.00 H new ATOM 349 N GLU A 37 10.490 3.258 9.226 1.00 0.00 N ATOM 350 CA GLU A 37 11.437 4.254 9.713 1.00 0.00 C ATOM 351 C GLU A 37 12.049 3.830 11.050 1.00 0.00 C ATOM 352 O GLU A 37 13.096 4.335 11.454 1.00 0.00 O ATOM 353 CB GLU A 37 10.776 5.623 9.835 1.00 0.00 C ATOM 354 CG GLU A 37 11.760 6.725 10.190 1.00 0.00 C ATOM 355 CD GLU A 37 11.126 8.097 10.185 1.00 0.00 C ATOM 356 OE1 GLU A 37 10.492 8.464 11.195 1.00 0.00 O ATOM 357 OE2 GLU A 37 11.263 8.818 9.177 1.00 0.00 O ATOM 0 H GLU A 37 9.532 3.373 9.558 1.00 0.00 H new ATOM 0 HA GLU A 37 12.242 4.328 8.982 1.00 0.00 H new ATOM 0 HB2 GLU A 37 10.286 5.870 8.893 1.00 0.00 H new ATOM 0 HB3 GLU A 37 9.998 5.579 10.597 1.00 0.00 H new ATOM 0 HG2 GLU A 37 12.181 6.527 11.176 1.00 0.00 H new ATOM 0 HG3 GLU A 37 12.588 6.709 9.481 1.00 0.00 H new ATOM 364 N ASN A 38 11.393 2.897 11.733 1.00 0.00 N ATOM 365 CA ASN A 38 11.868 2.426 13.035 1.00 0.00 C ATOM 366 C ASN A 38 13.144 1.613 12.868 1.00 0.00 C ATOM 367 O ASN A 38 13.928 1.461 13.809 1.00 0.00 O ATOM 368 CB ASN A 38 10.803 1.576 13.730 1.00 0.00 C ATOM 369 CG ASN A 38 11.112 1.336 15.197 1.00 0.00 C ATOM 370 OD1 ASN A 38 11.710 2.180 15.864 1.00 0.00 O ATOM 371 ND2 ASN A 38 10.710 0.185 15.709 1.00 0.00 N ATOM 0 H ASN A 38 10.534 2.452 11.410 1.00 0.00 H new ATOM 0 HA ASN A 38 12.075 3.299 13.654 1.00 0.00 H new ATOM 0 HB2 ASN A 38 9.835 2.070 13.643 1.00 0.00 H new ATOM 0 HB3 ASN A 38 10.719 0.617 13.219 1.00 0.00 H new ATOM 0 HD21 ASN A 38 10.893 -0.029 16.689 1.00 0.00 H new ATOM 0 HD22 ASN A 38 10.217 -0.489 15.123 1.00 0.00 H new ATOM 378 N ASP A 39 13.331 1.078 11.666 1.00 0.00 N ATOM 379 CA ASP A 39 14.556 0.378 11.316 1.00 0.00 C ATOM 380 C ASP A 39 15.733 1.328 11.466 1.00 0.00 C ATOM 381 O ASP A 39 15.728 2.429 10.914 1.00 0.00 O ATOM 382 CB ASP A 39 14.485 -0.142 9.877 1.00 0.00 C ATOM 383 CG ASP A 39 15.658 -1.035 9.520 1.00 0.00 C ATOM 384 OD1 ASP A 39 16.785 -0.519 9.366 1.00 0.00 O ATOM 385 OD2 ASP A 39 15.458 -2.264 9.402 1.00 0.00 O ATOM 0 H ASP A 39 12.642 1.118 10.915 1.00 0.00 H new ATOM 0 HA ASP A 39 14.683 -0.475 11.983 1.00 0.00 H new ATOM 0 HB2 ASP A 39 13.557 -0.696 9.741 1.00 0.00 H new ATOM 0 HB3 ASP A 39 14.455 0.704 9.190 1.00 0.00 H new ATOM 390 N THR A 40 16.729 0.898 12.225 1.00 0.00 N ATOM 391 CA THR A 40 17.873 1.711 12.553 1.00 0.00 C ATOM 392 C THR A 40 18.610 2.215 11.309 1.00 0.00 C ATOM 393 O THR A 40 19.282 3.244 11.355 1.00 0.00 O ATOM 394 CB THR A 40 18.825 0.891 13.433 1.00 0.00 C ATOM 395 OG1 THR A 40 18.076 0.265 14.484 1.00 0.00 O ATOM 396 CG2 THR A 40 19.887 1.772 14.037 1.00 0.00 C ATOM 0 H THR A 40 16.759 -0.037 12.632 1.00 0.00 H new ATOM 0 HA THR A 40 17.520 2.593 13.087 1.00 0.00 H new ATOM 0 HB THR A 40 19.309 0.136 12.814 1.00 0.00 H new ATOM 0 HG1 THR A 40 18.681 -0.261 15.048 1.00 0.00 H new ATOM 0 HG21 THR A 40 20.551 1.169 14.657 1.00 0.00 H new ATOM 0 HG22 THR A 40 20.463 2.245 13.242 1.00 0.00 H new ATOM 0 HG23 THR A 40 19.417 2.541 14.650 1.00 0.00 H new ATOM 404 N GLU A 41 18.462 1.509 10.197 1.00 0.00 N ATOM 405 CA GLU A 41 19.133 1.887 8.966 1.00 0.00 C ATOM 406 C GLU A 41 18.199 2.629 8.013 1.00 0.00 C ATOM 407 O GLU A 41 18.610 2.955 6.898 1.00 0.00 O ATOM 408 CB GLU A 41 19.698 0.663 8.284 1.00 0.00 C ATOM 409 CG GLU A 41 20.842 0.040 9.052 1.00 0.00 C ATOM 410 CD GLU A 41 21.950 1.022 9.374 1.00 0.00 C ATOM 411 OE1 GLU A 41 22.723 1.381 8.457 1.00 0.00 O ATOM 412 OE2 GLU A 41 22.076 1.418 10.551 1.00 0.00 O ATOM 0 H GLU A 41 17.883 0.672 10.124 1.00 0.00 H new ATOM 0 HA GLU A 41 19.945 2.565 9.230 1.00 0.00 H new ATOM 0 HB2 GLU A 41 18.906 -0.075 8.158 1.00 0.00 H new ATOM 0 HB3 GLU A 41 20.042 0.935 7.286 1.00 0.00 H new ATOM 0 HG2 GLU A 41 20.460 -0.384 9.981 1.00 0.00 H new ATOM 0 HG3 GLU A 41 21.254 -0.785 8.471 1.00 0.00 H new ATOM 419 N ASN A 42 16.959 2.898 8.474 1.00 0.00 N ATOM 420 CA ASN A 42 15.918 3.606 7.703 1.00 0.00 C ATOM 421 C ASN A 42 16.079 3.397 6.201 1.00 0.00 C ATOM 422 O ASN A 42 16.257 4.342 5.426 1.00 0.00 O ATOM 423 CB ASN A 42 15.825 5.107 8.071 1.00 0.00 C ATOM 424 CG ASN A 42 17.120 5.899 7.912 1.00 0.00 C ATOM 425 OD1 ASN A 42 17.971 5.602 7.076 1.00 0.00 O ATOM 426 ND2 ASN A 42 17.269 6.933 8.723 1.00 0.00 N ATOM 0 H ASN A 42 16.650 2.625 9.407 1.00 0.00 H new ATOM 0 HA ASN A 42 14.966 3.158 7.988 1.00 0.00 H new ATOM 0 HB2 ASN A 42 15.057 5.569 7.451 1.00 0.00 H new ATOM 0 HB3 ASN A 42 15.492 5.191 9.106 1.00 0.00 H new ATOM 0 HD21 ASN A 42 18.108 7.510 8.665 1.00 0.00 H new ATOM 0 HD22 ASN A 42 16.545 7.154 9.406 1.00 0.00 H new ATOM 433 N LEU A 43 15.993 2.129 5.810 1.00 0.00 N ATOM 434 CA LEU A 43 16.235 1.693 4.438 1.00 0.00 C ATOM 435 C LEU A 43 15.281 2.358 3.453 1.00 0.00 C ATOM 436 O LEU A 43 15.494 2.314 2.241 1.00 0.00 O ATOM 437 CB LEU A 43 16.085 0.176 4.365 1.00 0.00 C ATOM 438 CG LEU A 43 16.974 -0.594 5.341 1.00 0.00 C ATOM 439 CD1 LEU A 43 16.550 -2.052 5.416 1.00 0.00 C ATOM 440 CD2 LEU A 43 18.434 -0.481 4.929 1.00 0.00 C ATOM 0 H LEU A 43 15.751 1.367 6.443 1.00 0.00 H new ATOM 0 HA LEU A 43 17.247 1.987 4.159 1.00 0.00 H new ATOM 0 HB2 LEU A 43 15.044 -0.084 4.558 1.00 0.00 H new ATOM 0 HB3 LEU A 43 16.312 -0.151 3.350 1.00 0.00 H new ATOM 0 HG LEU A 43 16.860 -0.155 6.332 1.00 0.00 H new ATOM 0 HD11 LEU A 43 17.195 -2.583 6.116 1.00 0.00 H new ATOM 0 HD12 LEU A 43 15.517 -2.113 5.757 1.00 0.00 H new ATOM 0 HD13 LEU A 43 16.634 -2.507 4.429 1.00 0.00 H new ATOM 0 HD21 LEU A 43 19.055 -1.034 5.634 1.00 0.00 H new ATOM 0 HD22 LEU A 43 18.563 -0.895 3.929 1.00 0.00 H new ATOM 0 HD23 LEU A 43 18.732 0.568 4.929 1.00 0.00 H new ATOM 452 N ILE A 44 14.249 2.991 3.989 1.00 0.00 N ATOM 453 CA ILE A 44 13.254 3.675 3.178 1.00 0.00 C ATOM 454 C ILE A 44 13.900 4.793 2.351 1.00 0.00 C ATOM 455 O ILE A 44 13.425 5.138 1.272 1.00 0.00 O ATOM 456 CB ILE A 44 12.138 4.274 4.064 1.00 0.00 C ATOM 457 CG1 ILE A 44 10.878 4.488 3.239 1.00 0.00 C ATOM 458 CG2 ILE A 44 12.581 5.586 4.700 1.00 0.00 C ATOM 459 CD1 ILE A 44 10.033 3.242 3.087 1.00 0.00 C ATOM 0 H ILE A 44 14.078 3.045 4.993 1.00 0.00 H new ATOM 0 HA ILE A 44 12.817 2.938 2.504 1.00 0.00 H new ATOM 0 HB ILE A 44 11.926 3.568 4.867 1.00 0.00 H new ATOM 0 HG12 ILE A 44 10.277 5.269 3.705 1.00 0.00 H new ATOM 0 HG13 ILE A 44 11.159 4.849 2.250 1.00 0.00 H new ATOM 0 HG21 ILE A 44 11.774 5.982 5.317 1.00 0.00 H new ATOM 0 HG22 ILE A 44 13.460 5.411 5.321 1.00 0.00 H new ATOM 0 HG23 ILE A 44 12.826 6.305 3.918 1.00 0.00 H new ATOM 0 HD11 ILE A 44 9.152 3.471 2.487 1.00 0.00 H new ATOM 0 HD12 ILE A 44 10.616 2.465 2.593 1.00 0.00 H new ATOM 0 HD13 ILE A 44 9.721 2.892 4.071 1.00 0.00 H new ATOM 471 N GLU A 45 15.007 5.328 2.861 1.00 0.00 N ATOM 472 CA GLU A 45 15.685 6.459 2.243 1.00 0.00 C ATOM 473 C GLU A 45 16.328 6.070 0.917 1.00 0.00 C ATOM 474 O GLU A 45 16.497 6.905 0.030 1.00 0.00 O ATOM 475 CB GLU A 45 16.742 7.013 3.199 1.00 0.00 C ATOM 476 CG GLU A 45 16.160 7.584 4.483 1.00 0.00 C ATOM 477 CD GLU A 45 15.312 8.815 4.240 1.00 0.00 C ATOM 478 OE1 GLU A 45 14.278 8.708 3.558 1.00 0.00 O ATOM 479 OE2 GLU A 45 15.688 9.903 4.724 1.00 0.00 O ATOM 0 H GLU A 45 15.456 4.989 3.712 1.00 0.00 H new ATOM 0 HA GLU A 45 14.941 7.228 2.037 1.00 0.00 H new ATOM 0 HB2 GLU A 45 17.445 6.219 3.450 1.00 0.00 H new ATOM 0 HB3 GLU A 45 17.309 7.792 2.689 1.00 0.00 H new ATOM 0 HG2 GLU A 45 15.555 6.822 4.974 1.00 0.00 H new ATOM 0 HG3 GLU A 45 16.972 7.835 5.165 1.00 0.00 H new ATOM 486 N LYS A 46 16.675 4.799 0.782 1.00 0.00 N ATOM 487 CA LYS A 46 17.334 4.317 -0.423 1.00 0.00 C ATOM 488 C LYS A 46 16.319 3.992 -1.508 1.00 0.00 C ATOM 489 O LYS A 46 16.643 3.979 -2.695 1.00 0.00 O ATOM 490 CB LYS A 46 18.172 3.083 -0.111 1.00 0.00 C ATOM 491 CG LYS A 46 19.398 3.396 0.720 1.00 0.00 C ATOM 492 CD LYS A 46 20.097 2.127 1.176 1.00 0.00 C ATOM 493 CE LYS A 46 21.340 2.434 1.994 1.00 0.00 C ATOM 494 NZ LYS A 46 22.066 1.196 2.375 1.00 0.00 N ATOM 0 H LYS A 46 16.512 4.084 1.490 1.00 0.00 H new ATOM 0 HA LYS A 46 17.987 5.110 -0.788 1.00 0.00 H new ATOM 0 HB2 LYS A 46 17.556 2.357 0.419 1.00 0.00 H new ATOM 0 HB3 LYS A 46 18.483 2.616 -1.045 1.00 0.00 H new ATOM 0 HG2 LYS A 46 20.089 4.004 0.137 1.00 0.00 H new ATOM 0 HG3 LYS A 46 19.109 3.987 1.589 1.00 0.00 H new ATOM 0 HD2 LYS A 46 19.409 1.526 1.771 1.00 0.00 H new ATOM 0 HD3 LYS A 46 20.372 1.530 0.306 1.00 0.00 H new ATOM 0 HE2 LYS A 46 22.002 3.082 1.420 1.00 0.00 H new ATOM 0 HE3 LYS A 46 21.058 2.982 2.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 22.908 1.445 2.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 21.442 0.589 2.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 22.357 0.686 1.517 1.00 0.00 H new ATOM 508 N VAL A 47 15.089 3.742 -1.093 1.00 0.00 N ATOM 509 CA VAL A 47 14.038 3.330 -2.008 1.00 0.00 C ATOM 510 C VAL A 47 12.846 4.288 -1.919 1.00 0.00 C ATOM 511 O VAL A 47 11.687 3.892 -2.035 1.00 0.00 O ATOM 512 CB VAL A 47 13.617 1.859 -1.749 1.00 0.00 C ATOM 513 CG1 VAL A 47 13.049 1.680 -0.352 1.00 0.00 C ATOM 514 CG2 VAL A 47 12.639 1.362 -2.810 1.00 0.00 C ATOM 0 H VAL A 47 14.792 3.818 -0.120 1.00 0.00 H new ATOM 0 HA VAL A 47 14.426 3.376 -3.025 1.00 0.00 H new ATOM 0 HB VAL A 47 14.517 1.248 -1.819 1.00 0.00 H new ATOM 0 HG11 VAL A 47 12.765 0.638 -0.206 1.00 0.00 H new ATOM 0 HG12 VAL A 47 13.802 1.958 0.385 1.00 0.00 H new ATOM 0 HG13 VAL A 47 12.172 2.316 -0.232 1.00 0.00 H new ATOM 0 HG21 VAL A 47 12.366 0.329 -2.597 1.00 0.00 H new ATOM 0 HG22 VAL A 47 11.744 1.984 -2.799 1.00 0.00 H new ATOM 0 HG23 VAL A 47 13.108 1.418 -3.792 1.00 0.00 H new ATOM 524 N ARG A 48 13.144 5.559 -1.664 1.00 0.00 N ATOM 525 CA ARG A 48 12.108 6.582 -1.602 1.00 0.00 C ATOM 526 C ARG A 48 11.201 6.519 -2.822 1.00 0.00 C ATOM 527 O ARG A 48 11.635 6.706 -3.958 1.00 0.00 O ATOM 528 CB ARG A 48 12.704 7.981 -1.477 1.00 0.00 C ATOM 529 CG ARG A 48 13.159 8.321 -0.073 1.00 0.00 C ATOM 530 CD ARG A 48 13.460 9.808 0.052 1.00 0.00 C ATOM 531 NE ARG A 48 13.920 10.184 1.389 1.00 0.00 N ATOM 532 CZ ARG A 48 14.203 11.435 1.753 1.00 0.00 C ATOM 533 NH1 ARG A 48 14.045 12.435 0.894 1.00 0.00 N ATOM 534 NH2 ARG A 48 14.644 11.684 2.978 1.00 0.00 N ATOM 0 H ARG A 48 14.090 5.903 -1.498 1.00 0.00 H new ATOM 0 HA ARG A 48 11.516 6.379 -0.709 1.00 0.00 H new ATOM 0 HB2 ARG A 48 13.552 8.068 -2.156 1.00 0.00 H new ATOM 0 HB3 ARG A 48 11.963 8.713 -1.797 1.00 0.00 H new ATOM 0 HG2 ARG A 48 12.386 8.040 0.643 1.00 0.00 H new ATOM 0 HG3 ARG A 48 14.049 7.743 0.176 1.00 0.00 H new ATOM 0 HD2 ARG A 48 14.220 10.083 -0.679 1.00 0.00 H new ATOM 0 HD3 ARG A 48 12.563 10.377 -0.192 1.00 0.00 H new ATOM 0 HE ARG A 48 14.031 9.445 2.084 1.00 0.00 H new ATOM 0 HH11 ARG A 48 13.706 12.248 -0.050 1.00 0.00 H new ATOM 0 HH12 ARG A 48 14.263 13.390 1.178 1.00 0.00 H new ATOM 0 HH21 ARG A 48 14.767 10.919 3.641 1.00 0.00 H new ATOM 0 HH22 ARG A 48 14.861 12.641 3.257 1.00 0.00 H new ATOM 548 N GLY A 49 9.942 6.245 -2.554 1.00 0.00 N ATOM 549 CA GLY A 49 8.952 6.082 -3.597 1.00 0.00 C ATOM 550 C GLY A 49 7.577 5.936 -2.994 1.00 0.00 C ATOM 551 O GLY A 49 7.407 6.133 -1.799 1.00 0.00 O ATOM 0 H GLY A 49 9.577 6.129 -1.609 1.00 0.00 H new ATOM 0 HA2 GLY A 49 8.974 6.942 -4.266 1.00 0.00 H new ATOM 0 HA3 GLY A 49 9.188 5.204 -4.198 1.00 0.00 H new ATOM 555 N ILE A 50 6.587 5.606 -3.790 1.00 0.00 N ATOM 556 CA ILE A 50 5.242 5.461 -3.264 1.00 0.00 C ATOM 557 C ILE A 50 4.647 4.110 -3.636 1.00 0.00 C ATOM 558 O ILE A 50 4.709 3.688 -4.790 1.00 0.00 O ATOM 559 CB ILE A 50 4.341 6.612 -3.751 1.00 0.00 C ATOM 560 CG1 ILE A 50 4.922 7.941 -3.261 1.00 0.00 C ATOM 561 CG2 ILE A 50 2.912 6.430 -3.257 1.00 0.00 C ATOM 562 CD1 ILE A 50 4.175 9.160 -3.742 1.00 0.00 C ATOM 0 H ILE A 50 6.680 5.434 -4.791 1.00 0.00 H new ATOM 0 HA ILE A 50 5.300 5.509 -2.177 1.00 0.00 H new ATOM 0 HB ILE A 50 4.312 6.610 -4.841 1.00 0.00 H new ATOM 0 HG12 ILE A 50 4.930 7.941 -2.171 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.960 8.013 -3.587 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.296 7.255 -3.614 1.00 0.00 H new ATOM 0 HG22 ILE A 50 2.513 5.489 -3.636 1.00 0.00 H new ATOM 0 HG23 ILE A 50 2.903 6.415 -2.167 1.00 0.00 H new ATOM 0 HD11 ILE A 50 4.652 10.058 -3.349 1.00 0.00 H new ATOM 0 HD12 ILE A 50 4.189 9.189 -4.832 1.00 0.00 H new ATOM 0 HD13 ILE A 50 3.143 9.116 -3.393 1.00 0.00 H new ATOM 574 N TYR A 51 4.093 3.429 -2.645 1.00 0.00 N ATOM 575 CA TYR A 51 3.506 2.115 -2.855 1.00 0.00 C ATOM 576 C TYR A 51 1.993 2.190 -2.718 1.00 0.00 C ATOM 577 O TYR A 51 1.479 2.781 -1.773 1.00 0.00 O ATOM 578 CB TYR A 51 4.051 1.110 -1.836 1.00 0.00 C ATOM 579 CG TYR A 51 5.558 1.117 -1.704 1.00 0.00 C ATOM 580 CD1 TYR A 51 6.347 0.370 -2.560 1.00 0.00 C ATOM 581 CD2 TYR A 51 6.188 1.870 -0.719 1.00 0.00 C ATOM 582 CE1 TYR A 51 7.720 0.367 -2.444 1.00 0.00 C ATOM 583 CE2 TYR A 51 7.562 1.871 -0.596 1.00 0.00 C ATOM 584 CZ TYR A 51 8.324 1.119 -1.461 1.00 0.00 C ATOM 585 OH TYR A 51 9.692 1.112 -1.341 1.00 0.00 O ATOM 0 H TYR A 51 4.038 3.766 -1.684 1.00 0.00 H new ATOM 0 HA TYR A 51 3.769 1.784 -3.860 1.00 0.00 H new ATOM 0 HB2 TYR A 51 3.611 1.323 -0.862 1.00 0.00 H new ATOM 0 HB3 TYR A 51 3.727 0.109 -2.121 1.00 0.00 H new ATOM 0 HD1 TYR A 51 5.879 -0.221 -3.333 1.00 0.00 H new ATOM 0 HD2 TYR A 51 5.593 2.463 -0.040 1.00 0.00 H new ATOM 0 HE1 TYR A 51 8.320 -0.223 -3.121 1.00 0.00 H new ATOM 0 HE2 TYR A 51 8.037 2.459 0.175 1.00 0.00 H new ATOM 0 HH TYR A 51 9.958 1.695 -0.600 1.00 0.00 H new ATOM 595 N GLY A 52 1.286 1.611 -3.666 1.00 0.00 N ATOM 596 CA GLY A 52 -0.154 1.554 -3.575 1.00 0.00 C ATOM 597 C GLY A 52 -0.634 0.148 -3.304 1.00 0.00 C ATOM 598 O GLY A 52 -0.491 -0.734 -4.147 1.00 0.00 O ATOM 0 H GLY A 52 1.682 1.178 -4.500 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.496 2.216 -2.780 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.593 1.917 -4.504 1.00 0.00 H new ATOM 602 N PHE A 53 -1.182 -0.072 -2.125 1.00 0.00 N ATOM 603 CA PHE A 53 -1.667 -1.392 -1.755 1.00 0.00 C ATOM 604 C PHE A 53 -3.170 -1.504 -1.956 1.00 0.00 C ATOM 605 O PHE A 53 -3.955 -0.945 -1.189 1.00 0.00 O ATOM 606 CB PHE A 53 -1.312 -1.711 -0.303 1.00 0.00 C ATOM 607 CG PHE A 53 -0.033 -2.482 -0.143 1.00 0.00 C ATOM 608 CD1 PHE A 53 1.184 -1.929 -0.506 1.00 0.00 C ATOM 609 CD2 PHE A 53 -0.054 -3.767 0.376 1.00 0.00 C ATOM 610 CE1 PHE A 53 2.358 -2.644 -0.352 1.00 0.00 C ATOM 611 CE2 PHE A 53 1.114 -4.486 0.533 1.00 0.00 C ATOM 612 CZ PHE A 53 2.324 -3.924 0.168 1.00 0.00 C ATOM 0 H PHE A 53 -1.303 0.642 -1.407 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.178 -2.116 -2.407 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.234 -0.778 0.255 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -2.127 -2.282 0.143 1.00 0.00 H new ATOM 0 HD1 PHE A 53 1.217 -0.929 -0.913 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -0.996 -4.211 0.661 1.00 0.00 H new ATOM 0 HE1 PHE A 53 3.301 -2.202 -0.638 1.00 0.00 H new ATOM 0 HE2 PHE A 53 1.083 -5.486 0.940 1.00 0.00 H new ATOM 0 HZ PHE A 53 3.240 -4.484 0.289 1.00 0.00 H new ATOM 622 N LYS A 54 -3.554 -2.216 -3.003 1.00 0.00 N ATOM 623 CA LYS A 54 -4.950 -2.524 -3.258 1.00 0.00 C ATOM 624 C LYS A 54 -5.298 -3.852 -2.598 1.00 0.00 C ATOM 625 O LYS A 54 -4.992 -4.922 -3.126 1.00 0.00 O ATOM 626 CB LYS A 54 -5.220 -2.590 -4.765 1.00 0.00 C ATOM 627 CG LYS A 54 -5.199 -1.238 -5.459 1.00 0.00 C ATOM 628 CD LYS A 54 -5.404 -1.387 -6.959 1.00 0.00 C ATOM 629 CE LYS A 54 -5.397 -0.039 -7.669 1.00 0.00 C ATOM 630 NZ LYS A 54 -6.600 0.777 -7.347 1.00 0.00 N ATOM 0 H LYS A 54 -2.909 -2.595 -3.697 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.575 -1.736 -2.838 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -4.475 -3.236 -5.229 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -6.192 -3.056 -4.929 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -5.980 -0.601 -5.044 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -4.248 -0.742 -5.267 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -4.618 -2.019 -7.372 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -6.351 -1.892 -7.148 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -4.500 0.513 -7.387 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -5.347 -0.199 -8.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -6.592 1.647 -7.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -7.458 0.230 -7.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -6.591 1.025 -6.337 1.00 0.00 H new ATOM 644 N VAL A 55 -5.923 -3.774 -1.437 1.00 0.00 N ATOM 645 CA VAL A 55 -6.211 -4.956 -0.644 1.00 0.00 C ATOM 646 C VAL A 55 -7.644 -5.422 -0.874 1.00 0.00 C ATOM 647 O VAL A 55 -8.590 -4.660 -0.696 1.00 0.00 O ATOM 648 CB VAL A 55 -6.001 -4.686 0.860 1.00 0.00 C ATOM 649 CG1 VAL A 55 -6.088 -5.976 1.658 1.00 0.00 C ATOM 650 CG2 VAL A 55 -4.667 -3.996 1.103 1.00 0.00 C ATOM 0 H VAL A 55 -6.242 -2.899 -1.020 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.519 -5.736 -0.962 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.797 -4.022 1.198 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -5.937 -5.760 2.716 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.071 -6.426 1.516 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -5.319 -6.668 1.315 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -4.540 -3.815 2.170 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -3.858 -4.632 0.744 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -4.646 -3.046 0.569 1.00 0.00 H new ATOM 660 N ARG A 56 -7.798 -6.669 -1.278 1.00 0.00 N ATOM 661 CA ARG A 56 -9.116 -7.229 -1.538 1.00 0.00 C ATOM 662 C ARG A 56 -9.434 -8.307 -0.508 1.00 0.00 C ATOM 663 O ARG A 56 -8.626 -8.564 0.386 1.00 0.00 O ATOM 664 CB ARG A 56 -9.175 -7.808 -2.954 1.00 0.00 C ATOM 665 CG ARG A 56 -8.631 -6.862 -4.016 1.00 0.00 C ATOM 666 CD ARG A 56 -8.886 -7.386 -5.418 1.00 0.00 C ATOM 667 NE ARG A 56 -10.300 -7.300 -5.788 1.00 0.00 N ATOM 668 CZ ARG A 56 -10.952 -8.235 -6.478 1.00 0.00 C ATOM 669 NH1 ARG A 56 -10.322 -9.337 -6.872 1.00 0.00 N ATOM 670 NH2 ARG A 56 -12.233 -8.062 -6.783 1.00 0.00 N ATOM 0 H ARG A 56 -7.026 -7.317 -1.434 1.00 0.00 H new ATOM 0 HA ARG A 56 -9.860 -6.437 -1.458 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -8.608 -8.739 -2.982 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -10.209 -8.057 -3.194 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -9.096 -5.882 -3.903 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -7.560 -6.726 -3.868 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -8.290 -6.817 -6.131 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -8.557 -8.423 -5.483 1.00 0.00 H new ATOM 0 HE ARG A 56 -10.819 -6.471 -5.499 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -9.336 -9.469 -6.646 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -10.824 -10.051 -7.400 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -12.717 -7.214 -6.489 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -12.733 -8.777 -7.311 1.00 0.00 H new ATOM 684 N ASN A 57 -10.603 -8.933 -0.640 1.00 0.00 N ATOM 685 CA ASN A 57 -11.046 -9.970 0.298 1.00 0.00 C ATOM 686 C ASN A 57 -11.193 -9.401 1.703 1.00 0.00 C ATOM 687 O ASN A 57 -10.750 -10.000 2.685 1.00 0.00 O ATOM 688 CB ASN A 57 -10.075 -11.154 0.315 1.00 0.00 C ATOM 689 CG ASN A 57 -10.120 -11.965 -0.962 1.00 0.00 C ATOM 690 OD1 ASN A 57 -9.389 -11.692 -1.913 1.00 0.00 O ATOM 691 ND2 ASN A 57 -10.980 -12.968 -0.990 1.00 0.00 N ATOM 0 H ASN A 57 -11.265 -8.740 -1.391 1.00 0.00 H new ATOM 0 HA ASN A 57 -12.018 -10.326 -0.043 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -9.061 -10.785 0.471 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -10.312 -11.801 1.160 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -11.056 -13.551 -1.823 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -11.567 -13.159 -0.178 1.00 0.00 H new ATOM 698 N GLY A 58 -11.808 -8.232 1.783 1.00 0.00 N ATOM 699 CA GLY A 58 -12.036 -7.595 3.060 1.00 0.00 C ATOM 700 C GLY A 58 -13.204 -8.203 3.814 1.00 0.00 C ATOM 701 O GLY A 58 -13.823 -9.154 3.332 1.00 0.00 O ATOM 0 H GLY A 58 -12.156 -7.710 0.979 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -11.135 -7.675 3.668 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -12.222 -6.532 2.904 1.00 0.00 H new ATOM 705 N PRO A 59 -13.533 -7.634 4.990 1.00 0.00 N ATOM 706 CA PRO A 59 -14.560 -8.139 5.907 1.00 0.00 C ATOM 707 C PRO A 59 -15.775 -8.753 5.214 1.00 0.00 C ATOM 708 O PRO A 59 -16.065 -9.937 5.377 1.00 0.00 O ATOM 709 CB PRO A 59 -14.989 -6.884 6.666 1.00 0.00 C ATOM 710 CG PRO A 59 -13.868 -5.903 6.546 1.00 0.00 C ATOM 711 CD PRO A 59 -12.890 -6.432 5.533 1.00 0.00 C ATOM 0 HA PRO A 59 -14.163 -8.946 6.522 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -15.908 -6.474 6.247 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -15.191 -7.115 7.712 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -14.246 -4.929 6.237 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -13.379 -5.764 7.510 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -12.695 -5.699 4.750 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -11.931 -6.669 5.994 1.00 0.00 H new ATOM 719 N ASN A 60 -16.469 -7.945 4.430 1.00 0.00 N ATOM 720 CA ASN A 60 -17.686 -8.378 3.753 1.00 0.00 C ATOM 721 C ASN A 60 -17.459 -8.470 2.249 1.00 0.00 C ATOM 722 O ASN A 60 -18.312 -8.075 1.449 1.00 0.00 O ATOM 723 CB ASN A 60 -18.831 -7.402 4.057 1.00 0.00 C ATOM 724 CG ASN A 60 -18.527 -5.968 3.641 1.00 0.00 C ATOM 725 OD1 ASN A 60 -17.374 -5.533 3.639 1.00 0.00 O ATOM 726 ND2 ASN A 60 -19.562 -5.221 3.294 1.00 0.00 N ATOM 0 H ASN A 60 -16.209 -6.976 4.244 1.00 0.00 H new ATOM 0 HA ASN A 60 -17.955 -9.368 4.121 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -19.732 -7.739 3.544 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -19.045 -7.425 5.126 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -19.419 -4.251 3.013 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -20.503 -5.615 3.308 1.00 0.00 H new ATOM 733 N GLY A 61 -16.305 -9.004 1.866 1.00 0.00 N ATOM 734 CA GLY A 61 -15.922 -9.011 0.468 1.00 0.00 C ATOM 735 C GLY A 61 -15.541 -7.619 0.020 1.00 0.00 C ATOM 736 O GLY A 61 -15.736 -7.240 -1.137 1.00 0.00 O ATOM 0 H GLY A 61 -15.629 -9.432 2.499 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -15.083 -9.691 0.317 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -16.747 -9.383 -0.140 1.00 0.00 H new ATOM 740 N ALA A 62 -15.008 -6.858 0.965 1.00 0.00 N ATOM 741 CA ALA A 62 -14.656 -5.466 0.743 1.00 0.00 C ATOM 742 C ALA A 62 -13.277 -5.324 0.139 1.00 0.00 C ATOM 743 O ALA A 62 -12.535 -6.297 -0.006 1.00 0.00 O ATOM 744 CB ALA A 62 -14.730 -4.694 2.052 1.00 0.00 C ATOM 0 H ALA A 62 -14.808 -7.190 1.908 1.00 0.00 H new ATOM 0 HA ALA A 62 -15.374 -5.054 0.034 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -14.464 -3.652 1.875 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -15.744 -4.748 2.449 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -14.035 -5.129 2.771 1.00 0.00 H new ATOM 750 N GLU A 63 -12.955 -4.096 -0.213 1.00 0.00 N ATOM 751 CA GLU A 63 -11.684 -3.766 -0.815 1.00 0.00 C ATOM 752 C GLU A 63 -11.171 -2.455 -0.255 1.00 0.00 C ATOM 753 O GLU A 63 -11.923 -1.490 -0.120 1.00 0.00 O ATOM 754 CB GLU A 63 -11.849 -3.672 -2.323 1.00 0.00 C ATOM 755 CG GLU A 63 -11.863 -5.020 -3.005 1.00 0.00 C ATOM 756 CD GLU A 63 -12.364 -4.943 -4.426 1.00 0.00 C ATOM 757 OE1 GLU A 63 -13.597 -4.912 -4.621 1.00 0.00 O ATOM 758 OE2 GLU A 63 -11.532 -4.906 -5.355 1.00 0.00 O ATOM 0 H GLU A 63 -13.574 -3.295 -0.088 1.00 0.00 H new ATOM 0 HA GLU A 63 -10.958 -4.546 -0.585 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -12.778 -3.148 -2.548 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -11.037 -3.072 -2.734 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -10.856 -5.436 -3.000 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -12.494 -5.704 -2.437 1.00 0.00 H new ATOM 765 N GLY A 64 -9.900 -2.432 0.073 1.00 0.00 N ATOM 766 CA GLY A 64 -9.304 -1.251 0.653 1.00 0.00 C ATOM 767 C GLY A 64 -8.071 -0.819 -0.104 1.00 0.00 C ATOM 768 O GLY A 64 -7.508 -1.597 -0.875 1.00 0.00 O ATOM 0 H GLY A 64 -9.260 -3.216 -0.052 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -10.032 -0.440 0.656 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -9.042 -1.448 1.693 1.00 0.00 H new ATOM 772 N TYR A 65 -7.648 0.413 0.109 1.00 0.00 N ATOM 773 CA TYR A 65 -6.493 0.945 -0.587 1.00 0.00 C ATOM 774 C TYR A 65 -5.660 1.815 0.343 1.00 0.00 C ATOM 775 O TYR A 65 -6.147 2.807 0.883 1.00 0.00 O ATOM 776 CB TYR A 65 -6.951 1.750 -1.804 1.00 0.00 C ATOM 777 CG TYR A 65 -5.822 2.255 -2.670 1.00 0.00 C ATOM 778 CD1 TYR A 65 -4.851 1.389 -3.148 1.00 0.00 C ATOM 779 CD2 TYR A 65 -5.737 3.594 -3.022 1.00 0.00 C ATOM 780 CE1 TYR A 65 -3.828 1.840 -3.953 1.00 0.00 C ATOM 781 CE2 TYR A 65 -4.714 4.055 -3.824 1.00 0.00 C ATOM 782 CZ TYR A 65 -3.763 3.176 -4.288 1.00 0.00 C ATOM 783 OH TYR A 65 -2.750 3.630 -5.097 1.00 0.00 O ATOM 0 H TYR A 65 -8.088 1.064 0.759 1.00 0.00 H new ATOM 0 HA TYR A 65 -5.870 0.116 -0.922 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -7.610 1.128 -2.410 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -7.541 2.601 -1.462 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -4.897 0.343 -2.885 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -6.484 4.286 -2.662 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -3.081 1.151 -4.320 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -4.660 5.101 -4.086 1.00 0.00 H new ATOM 0 HH TYR A 65 -2.851 4.595 -5.237 1.00 0.00 H new ATOM 793 N TRP A 66 -4.405 1.437 0.531 1.00 0.00 N ATOM 794 CA TRP A 66 -3.498 2.206 1.371 1.00 0.00 C ATOM 795 C TRP A 66 -2.275 2.610 0.571 1.00 0.00 C ATOM 796 O TRP A 66 -1.661 1.788 -0.110 1.00 0.00 O ATOM 797 CB TRP A 66 -3.074 1.433 2.632 1.00 0.00 C ATOM 798 CG TRP A 66 -4.176 1.235 3.630 1.00 0.00 C ATOM 799 CD1 TRP A 66 -4.391 1.964 4.765 1.00 0.00 C ATOM 800 CD2 TRP A 66 -5.205 0.238 3.595 1.00 0.00 C ATOM 801 NE1 TRP A 66 -5.491 1.486 5.433 1.00 0.00 N ATOM 802 CE2 TRP A 66 -6.008 0.427 4.735 1.00 0.00 C ATOM 803 CE3 TRP A 66 -5.527 -0.792 2.708 1.00 0.00 C ATOM 804 CZ2 TRP A 66 -7.110 -0.379 5.011 1.00 0.00 C ATOM 805 CZ3 TRP A 66 -6.621 -1.588 2.984 1.00 0.00 C ATOM 806 CH2 TRP A 66 -7.399 -1.379 4.124 1.00 0.00 C ATOM 0 H TRP A 66 -3.991 0.603 0.114 1.00 0.00 H new ATOM 0 HA TRP A 66 -4.033 3.096 1.703 1.00 0.00 H new ATOM 0 HB2 TRP A 66 -2.689 0.458 2.335 1.00 0.00 H new ATOM 0 HB3 TRP A 66 -2.254 1.966 3.113 1.00 0.00 H new ATOM 0 HD1 TRP A 66 -3.784 2.796 5.090 1.00 0.00 H new ATOM 0 HE1 TRP A 66 -5.863 1.859 6.307 1.00 0.00 H new ATOM 0 HE3 TRP A 66 -4.932 -0.962 1.823 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 -7.714 -0.220 5.892 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 -6.880 -2.387 2.305 1.00 0.00 H new ATOM 0 HH2 TRP A 66 -8.248 -2.021 4.310 1.00 0.00 H new ATOM 817 N VAL A 67 -1.946 3.883 0.638 1.00 0.00 N ATOM 818 CA VAL A 67 -0.802 4.421 -0.069 1.00 0.00 C ATOM 819 C VAL A 67 0.366 4.616 0.886 1.00 0.00 C ATOM 820 O VAL A 67 0.262 5.361 1.858 1.00 0.00 O ATOM 821 CB VAL A 67 -1.152 5.764 -0.742 1.00 0.00 C ATOM 822 CG1 VAL A 67 0.094 6.462 -1.253 1.00 0.00 C ATOM 823 CG2 VAL A 67 -2.140 5.544 -1.875 1.00 0.00 C ATOM 0 H VAL A 67 -2.463 4.573 1.183 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.519 3.707 -0.842 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.613 6.408 0.007 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -0.184 7.406 -1.722 1.00 0.00 H new ATOM 0 HG12 VAL A 67 0.770 6.656 -0.420 1.00 0.00 H new ATOM 0 HG13 VAL A 67 0.593 5.826 -1.984 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -2.378 6.500 -2.341 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -1.700 4.878 -2.617 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -3.052 5.096 -1.481 1.00 0.00 H new ATOM 833 N ILE A 68 1.461 3.930 0.621 1.00 0.00 N ATOM 834 CA ILE A 68 2.651 4.055 1.440 1.00 0.00 C ATOM 835 C ILE A 68 3.591 5.088 0.831 1.00 0.00 C ATOM 836 O ILE A 68 4.267 4.826 -0.167 1.00 0.00 O ATOM 837 CB ILE A 68 3.398 2.711 1.624 1.00 0.00 C ATOM 838 CG1 ILE A 68 2.501 1.659 2.290 1.00 0.00 C ATOM 839 CG2 ILE A 68 4.659 2.912 2.452 1.00 0.00 C ATOM 840 CD1 ILE A 68 1.526 0.984 1.349 1.00 0.00 C ATOM 0 H ILE A 68 1.551 3.278 -0.158 1.00 0.00 H new ATOM 0 HA ILE A 68 2.325 4.378 2.429 1.00 0.00 H new ATOM 0 HB ILE A 68 3.673 2.349 0.633 1.00 0.00 H new ATOM 0 HG12 ILE A 68 3.133 0.897 2.747 1.00 0.00 H new ATOM 0 HG13 ILE A 68 1.941 2.134 3.095 1.00 0.00 H new ATOM 0 HG21 ILE A 68 5.172 1.958 2.572 1.00 0.00 H new ATOM 0 HG22 ILE A 68 5.318 3.617 1.946 1.00 0.00 H new ATOM 0 HG23 ILE A 68 4.391 3.306 3.433 1.00 0.00 H new ATOM 0 HD11 ILE A 68 0.932 0.256 1.901 1.00 0.00 H new ATOM 0 HD12 ILE A 68 0.866 1.733 0.910 1.00 0.00 H new ATOM 0 HD13 ILE A 68 2.077 0.477 0.557 1.00 0.00 H new ATOM 852 N ASN A 69 3.606 6.267 1.429 1.00 0.00 N ATOM 853 CA ASN A 69 4.440 7.357 0.961 1.00 0.00 C ATOM 854 C ASN A 69 5.833 7.244 1.567 1.00 0.00 C ATOM 855 O ASN A 69 6.070 7.636 2.713 1.00 0.00 O ATOM 856 CB ASN A 69 3.800 8.707 1.322 1.00 0.00 C ATOM 857 CG ASN A 69 4.551 9.907 0.757 1.00 0.00 C ATOM 858 OD1 ASN A 69 5.774 9.893 0.613 1.00 0.00 O ATOM 859 ND2 ASN A 69 3.817 10.956 0.426 1.00 0.00 N ATOM 0 H ASN A 69 3.043 6.494 2.249 1.00 0.00 H new ATOM 0 HA ASN A 69 4.528 7.297 -0.124 1.00 0.00 H new ATOM 0 HB2 ASN A 69 2.774 8.724 0.953 1.00 0.00 H new ATOM 0 HB3 ASN A 69 3.750 8.798 2.407 1.00 0.00 H new ATOM 0 HD21 ASN A 69 4.262 11.788 0.038 1.00 0.00 H new ATOM 0 HD22 ASN A 69 2.806 10.933 0.559 1.00 0.00 H new ATOM 866 N ALA A 70 6.742 6.686 0.789 1.00 0.00 N ATOM 867 CA ALA A 70 8.147 6.627 1.151 1.00 0.00 C ATOM 868 C ALA A 70 8.874 7.795 0.500 1.00 0.00 C ATOM 869 O ALA A 70 10.025 8.089 0.816 1.00 0.00 O ATOM 870 CB ALA A 70 8.746 5.307 0.695 1.00 0.00 C ATOM 0 H ALA A 70 6.527 6.260 -0.113 1.00 0.00 H new ATOM 0 HA ALA A 70 8.253 6.694 2.234 1.00 0.00 H new ATOM 0 HB1 ALA A 70 9.800 5.271 0.971 1.00 0.00 H new ATOM 0 HB2 ALA A 70 8.218 4.483 1.174 1.00 0.00 H new ATOM 0 HB3 ALA A 70 8.651 5.219 -0.387 1.00 0.00 H new ATOM 876 N LYS A 71 8.157 8.453 -0.409 1.00 0.00 N ATOM 877 CA LYS A 71 8.664 9.579 -1.187 1.00 0.00 C ATOM 878 C LYS A 71 9.287 10.644 -0.290 1.00 0.00 C ATOM 879 O LYS A 71 10.381 11.135 -0.555 1.00 0.00 O ATOM 880 CB LYS A 71 7.499 10.187 -1.971 1.00 0.00 C ATOM 881 CG LYS A 71 7.879 11.316 -2.905 1.00 0.00 C ATOM 882 CD LYS A 71 6.816 12.400 -2.887 1.00 0.00 C ATOM 883 CE LYS A 71 7.132 13.506 -3.872 1.00 0.00 C ATOM 884 NZ LYS A 71 6.188 14.646 -3.744 1.00 0.00 N ATOM 0 H LYS A 71 7.190 8.213 -0.629 1.00 0.00 H new ATOM 0 HA LYS A 71 9.441 9.220 -1.862 1.00 0.00 H new ATOM 0 HB2 LYS A 71 7.021 9.399 -2.553 1.00 0.00 H new ATOM 0 HB3 LYS A 71 6.757 10.555 -1.263 1.00 0.00 H new ATOM 0 HG2 LYS A 71 8.840 11.735 -2.606 1.00 0.00 H new ATOM 0 HG3 LYS A 71 7.999 10.933 -3.918 1.00 0.00 H new ATOM 0 HD2 LYS A 71 5.846 11.964 -3.127 1.00 0.00 H new ATOM 0 HD3 LYS A 71 6.738 12.817 -1.883 1.00 0.00 H new ATOM 0 HE2 LYS A 71 8.151 13.858 -3.709 1.00 0.00 H new ATOM 0 HE3 LYS A 71 7.090 13.111 -4.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 6.437 15.382 -4.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 5.218 14.316 -3.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 6.247 15.039 -2.783 1.00 0.00 H new ATOM 898 N GLU A 72 8.586 10.989 0.777 1.00 0.00 N ATOM 899 CA GLU A 72 9.025 12.056 1.665 1.00 0.00 C ATOM 900 C GLU A 72 9.925 11.533 2.778 1.00 0.00 C ATOM 901 O GLU A 72 10.197 12.229 3.759 1.00 0.00 O ATOM 902 CB GLU A 72 7.815 12.763 2.248 1.00 0.00 C ATOM 903 CG GLU A 72 6.934 13.388 1.185 1.00 0.00 C ATOM 904 CD GLU A 72 5.763 14.148 1.759 1.00 0.00 C ATOM 905 OE1 GLU A 72 4.747 13.514 2.095 1.00 0.00 O ATOM 906 OE2 GLU A 72 5.849 15.388 1.864 1.00 0.00 O ATOM 0 H GLU A 72 7.709 10.546 1.051 1.00 0.00 H new ATOM 0 HA GLU A 72 9.614 12.763 1.080 1.00 0.00 H new ATOM 0 HB2 GLU A 72 7.228 12.051 2.828 1.00 0.00 H new ATOM 0 HB3 GLU A 72 8.149 13.537 2.938 1.00 0.00 H new ATOM 0 HG2 GLU A 72 7.534 14.063 0.575 1.00 0.00 H new ATOM 0 HG3 GLU A 72 6.563 12.606 0.523 1.00 0.00 H new ATOM 913 N GLY A 73 10.375 10.303 2.620 1.00 0.00 N ATOM 914 CA GLY A 73 11.321 9.722 3.555 1.00 0.00 C ATOM 915 C GLY A 73 10.651 9.029 4.718 1.00 0.00 C ATOM 916 O GLY A 73 11.317 8.478 5.592 1.00 0.00 O ATOM 0 H GLY A 73 10.102 9.687 1.854 1.00 0.00 H new ATOM 0 HA2 GLY A 73 11.952 9.007 3.028 1.00 0.00 H new ATOM 0 HA3 GLY A 73 11.976 10.506 3.935 1.00 0.00 H new ATOM 920 N LYS A 74 9.332 9.073 4.736 1.00 0.00 N ATOM 921 CA LYS A 74 8.560 8.463 5.809 1.00 0.00 C ATOM 922 C LYS A 74 8.447 6.955 5.635 1.00 0.00 C ATOM 923 O LYS A 74 9.111 6.188 6.334 1.00 0.00 O ATOM 924 CB LYS A 74 7.156 9.074 5.870 1.00 0.00 C ATOM 925 CG LYS A 74 7.108 10.460 6.491 1.00 0.00 C ATOM 926 CD LYS A 74 7.311 10.432 8.006 1.00 0.00 C ATOM 927 CE LYS A 74 6.111 9.843 8.744 1.00 0.00 C ATOM 928 NZ LYS A 74 6.203 8.365 8.906 1.00 0.00 N ATOM 0 H LYS A 74 8.768 9.527 4.017 1.00 0.00 H new ATOM 0 HA LYS A 74 9.089 8.662 6.741 1.00 0.00 H new ATOM 0 HB2 LYS A 74 6.750 9.126 4.860 1.00 0.00 H new ATOM 0 HB3 LYS A 74 6.507 8.410 6.440 1.00 0.00 H new ATOM 0 HG2 LYS A 74 7.877 11.085 6.036 1.00 0.00 H new ATOM 0 HG3 LYS A 74 6.147 10.922 6.265 1.00 0.00 H new ATOM 0 HD2 LYS A 74 8.201 9.847 8.240 1.00 0.00 H new ATOM 0 HD3 LYS A 74 7.493 11.445 8.364 1.00 0.00 H new ATOM 0 HE2 LYS A 74 6.031 10.308 9.727 1.00 0.00 H new ATOM 0 HE3 LYS A 74 5.199 10.088 8.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 5.292 7.931 8.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 6.947 7.993 8.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 6.434 8.138 9.894 1.00 0.00 H new ATOM 942 N GLY A 75 7.618 6.533 4.698 1.00 0.00 N ATOM 943 CA GLY A 75 7.239 5.140 4.637 1.00 0.00 C ATOM 944 C GLY A 75 5.919 4.931 5.344 1.00 0.00 C ATOM 945 O GLY A 75 5.692 3.904 5.981 1.00 0.00 O ATOM 0 H GLY A 75 7.202 7.127 3.981 1.00 0.00 H new ATOM 0 HA2 GLY A 75 7.158 4.822 3.598 1.00 0.00 H new ATOM 0 HA3 GLY A 75 8.010 4.524 5.100 1.00 0.00 H new ATOM 949 N LYS A 76 5.051 5.930 5.233 1.00 0.00 N ATOM 950 CA LYS A 76 3.785 5.936 5.949 1.00 0.00 C ATOM 951 C LYS A 76 2.676 5.442 5.045 1.00 0.00 C ATOM 952 O LYS A 76 2.738 5.622 3.838 1.00 0.00 O ATOM 953 CB LYS A 76 3.429 7.356 6.404 1.00 0.00 C ATOM 954 CG LYS A 76 3.107 8.298 5.247 1.00 0.00 C ATOM 955 CD LYS A 76 2.236 9.471 5.675 1.00 0.00 C ATOM 956 CE LYS A 76 0.887 9.008 6.213 1.00 0.00 C ATOM 957 NZ LYS A 76 -0.019 10.151 6.505 1.00 0.00 N ATOM 0 H LYS A 76 5.205 6.752 4.648 1.00 0.00 H new ATOM 0 HA LYS A 76 3.888 5.284 6.816 1.00 0.00 H new ATOM 0 HB2 LYS A 76 2.572 7.311 7.076 1.00 0.00 H new ATOM 0 HB3 LYS A 76 4.261 7.766 6.976 1.00 0.00 H new ATOM 0 HG2 LYS A 76 4.036 8.676 4.821 1.00 0.00 H new ATOM 0 HG3 LYS A 76 2.599 7.741 4.460 1.00 0.00 H new ATOM 0 HD2 LYS A 76 2.754 10.048 6.441 1.00 0.00 H new ATOM 0 HD3 LYS A 76 2.080 10.136 4.826 1.00 0.00 H new ATOM 0 HE2 LYS A 76 0.414 8.347 5.486 1.00 0.00 H new ATOM 0 HE3 LYS A 76 1.040 8.425 7.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -0.925 9.792 6.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 0.420 10.768 7.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -0.186 10.693 5.633 1.00 0.00 H new ATOM 971 N VAL A 77 1.652 4.841 5.621 1.00 0.00 N ATOM 972 CA VAL A 77 0.521 4.404 4.829 1.00 0.00 C ATOM 973 C VAL A 77 -0.674 5.311 5.094 1.00 0.00 C ATOM 974 O VAL A 77 -0.870 5.792 6.214 1.00 0.00 O ATOM 975 CB VAL A 77 0.144 2.920 5.093 1.00 0.00 C ATOM 976 CG1 VAL A 77 1.339 2.138 5.623 1.00 0.00 C ATOM 977 CG2 VAL A 77 -1.034 2.795 6.044 1.00 0.00 C ATOM 0 H VAL A 77 1.581 4.647 6.620 1.00 0.00 H new ATOM 0 HA VAL A 77 0.811 4.472 3.780 1.00 0.00 H new ATOM 0 HB VAL A 77 -0.155 2.492 4.136 1.00 0.00 H new ATOM 0 HG11 VAL A 77 1.047 1.103 5.799 1.00 0.00 H new ATOM 0 HG12 VAL A 77 2.147 2.168 4.892 1.00 0.00 H new ATOM 0 HG13 VAL A 77 1.679 2.583 6.558 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -1.264 1.741 6.201 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -0.782 3.258 6.998 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.902 3.296 5.616 1.00 0.00 H new ATOM 987 N THR A 78 -1.440 5.576 4.054 1.00 0.00 N ATOM 988 CA THR A 78 -2.633 6.389 4.170 1.00 0.00 C ATOM 989 C THR A 78 -3.758 5.796 3.328 1.00 0.00 C ATOM 990 O THR A 78 -3.553 5.421 2.170 1.00 0.00 O ATOM 991 CB THR A 78 -2.357 7.854 3.755 1.00 0.00 C ATOM 992 OG1 THR A 78 -3.578 8.602 3.714 1.00 0.00 O ATOM 993 CG2 THR A 78 -1.662 7.930 2.403 1.00 0.00 C ATOM 0 H THR A 78 -1.254 5.236 3.111 1.00 0.00 H new ATOM 0 HA THR A 78 -2.940 6.393 5.216 1.00 0.00 H new ATOM 0 HB THR A 78 -1.694 8.287 4.504 1.00 0.00 H new ATOM 0 HG1 THR A 78 -3.387 9.527 3.452 1.00 0.00 H new ATOM 0 HG21 THR A 78 -1.484 8.974 2.144 1.00 0.00 H new ATOM 0 HG22 THR A 78 -0.710 7.401 2.453 1.00 0.00 H new ATOM 0 HG23 THR A 78 -2.293 7.470 1.643 1.00 0.00 H new ATOM 1001 N TYR A 79 -4.936 5.683 3.926 1.00 0.00 N ATOM 1002 CA TYR A 79 -6.087 5.105 3.248 1.00 0.00 C ATOM 1003 C TYR A 79 -6.551 6.024 2.125 1.00 0.00 C ATOM 1004 O TYR A 79 -6.885 7.188 2.364 1.00 0.00 O ATOM 1005 CB TYR A 79 -7.227 4.855 4.242 1.00 0.00 C ATOM 1006 CG TYR A 79 -8.431 4.171 3.633 1.00 0.00 C ATOM 1007 CD1 TYR A 79 -8.463 2.791 3.477 1.00 0.00 C ATOM 1008 CD2 TYR A 79 -9.538 4.903 3.219 1.00 0.00 C ATOM 1009 CE1 TYR A 79 -9.561 2.160 2.925 1.00 0.00 C ATOM 1010 CE2 TYR A 79 -10.638 4.279 2.665 1.00 0.00 C ATOM 1011 CZ TYR A 79 -10.646 2.908 2.520 1.00 0.00 C ATOM 1012 OH TYR A 79 -11.741 2.283 1.970 1.00 0.00 O ATOM 0 H TYR A 79 -5.119 5.985 4.883 1.00 0.00 H new ATOM 0 HA TYR A 79 -5.793 4.148 2.817 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -6.852 4.245 5.064 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -7.540 5.808 4.669 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -7.615 2.201 3.793 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -9.538 5.977 3.333 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -9.569 1.086 2.811 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -11.489 4.863 2.346 1.00 0.00 H new ATOM 0 HH TYR A 79 -12.418 2.953 1.739 1.00 0.00 H new ATOM 1022 N ASN A 80 -6.561 5.483 0.907 1.00 0.00 N ATOM 1023 CA ASN A 80 -6.905 6.242 -0.292 1.00 0.00 C ATOM 1024 C ASN A 80 -6.064 7.513 -0.364 1.00 0.00 C ATOM 1025 O ASN A 80 -6.583 8.627 -0.311 1.00 0.00 O ATOM 1026 CB ASN A 80 -8.401 6.573 -0.316 1.00 0.00 C ATOM 1027 CG ASN A 80 -8.852 7.145 -1.648 1.00 0.00 C ATOM 1028 OD1 ASN A 80 -8.297 6.826 -2.699 1.00 0.00 O ATOM 1029 ND2 ASN A 80 -9.867 7.991 -1.611 1.00 0.00 N ATOM 0 H ASN A 80 -6.331 4.506 0.725 1.00 0.00 H new ATOM 0 HA ASN A 80 -6.686 5.631 -1.168 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -8.972 5.670 -0.101 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -8.624 7.288 0.476 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -10.217 8.405 -2.475 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -10.300 8.230 -0.719 1.00 0.00 H new ATOM 1036 N GLY A 81 -4.752 7.322 -0.466 1.00 0.00 N ATOM 1037 CA GLY A 81 -3.816 8.432 -0.441 1.00 0.00 C ATOM 1038 C GLY A 81 -4.050 9.442 -1.546 1.00 0.00 C ATOM 1039 O GLY A 81 -3.869 10.642 -1.345 1.00 0.00 O ATOM 0 H GLY A 81 -4.316 6.405 -0.567 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -3.887 8.936 0.523 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -2.801 8.043 -0.523 1.00 0.00 H new ATOM 1043 N GLY A 82 -4.436 8.957 -2.718 1.00 0.00 N ATOM 1044 CA GLY A 82 -4.673 9.842 -3.842 1.00 0.00 C ATOM 1045 C GLY A 82 -3.410 10.105 -4.635 1.00 0.00 C ATOM 1046 O GLY A 82 -3.464 10.589 -5.765 1.00 0.00 O ATOM 0 H GLY A 82 -4.589 7.967 -2.911 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -5.427 9.403 -4.496 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -5.077 10.787 -3.480 1.00 0.00 H new ATOM 1050 N GLU A 83 -2.271 9.794 -4.037 1.00 0.00 N ATOM 1051 CA GLU A 83 -0.989 9.925 -4.710 1.00 0.00 C ATOM 1052 C GLU A 83 -0.817 8.785 -5.702 1.00 0.00 C ATOM 1053 O GLU A 83 -1.320 7.684 -5.476 1.00 0.00 O ATOM 1054 CB GLU A 83 0.149 9.891 -3.691 1.00 0.00 C ATOM 1055 CG GLU A 83 0.021 10.927 -2.589 1.00 0.00 C ATOM 1056 CD GLU A 83 0.136 12.350 -3.097 1.00 0.00 C ATOM 1057 OE1 GLU A 83 -0.892 12.927 -3.511 1.00 0.00 O ATOM 1058 OE2 GLU A 83 1.258 12.905 -3.070 1.00 0.00 O ATOM 0 H GLU A 83 -2.209 9.447 -3.080 1.00 0.00 H new ATOM 0 HA GLU A 83 -0.963 10.878 -5.238 1.00 0.00 H new ATOM 0 HB2 GLU A 83 0.190 8.899 -3.240 1.00 0.00 H new ATOM 0 HB3 GLU A 83 1.094 10.044 -4.212 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -0.940 10.802 -2.090 1.00 0.00 H new ATOM 0 HG3 GLU A 83 0.794 10.751 -1.841 1.00 0.00 H new ATOM 1065 N LYS A 84 -0.118 9.049 -6.795 1.00 0.00 N ATOM 1066 CA LYS A 84 0.148 8.025 -7.785 1.00 0.00 C ATOM 1067 C LYS A 84 1.400 7.250 -7.412 1.00 0.00 C ATOM 1068 O LYS A 84 2.513 7.770 -7.485 1.00 0.00 O ATOM 1069 CB LYS A 84 0.284 8.638 -9.172 1.00 0.00 C ATOM 1070 CG LYS A 84 -1.031 9.165 -9.727 1.00 0.00 C ATOM 1071 CD LYS A 84 -2.098 8.076 -9.798 1.00 0.00 C ATOM 1072 CE LYS A 84 -1.650 6.904 -10.643 1.00 0.00 C ATOM 1073 NZ LYS A 84 -2.700 5.858 -10.757 1.00 0.00 N ATOM 0 H LYS A 84 0.274 9.964 -7.016 1.00 0.00 H new ATOM 0 HA LYS A 84 -0.694 7.334 -7.806 1.00 0.00 H new ATOM 0 HB2 LYS A 84 1.007 9.453 -9.132 1.00 0.00 H new ATOM 0 HB3 LYS A 84 0.685 7.889 -9.855 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -1.388 9.982 -9.100 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -0.866 9.576 -10.723 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -2.331 7.730 -8.791 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -3.016 8.493 -10.212 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -1.383 7.258 -11.639 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -0.751 6.468 -10.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -2.348 5.075 -11.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -2.938 5.500 -9.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -3.550 6.266 -11.196 1.00 0.00 H new ATOM 1087 N PRO A 85 1.224 5.994 -6.996 1.00 0.00 N ATOM 1088 CA PRO A 85 2.320 5.147 -6.540 1.00 0.00 C ATOM 1089 C PRO A 85 3.275 4.781 -7.659 1.00 0.00 C ATOM 1090 O PRO A 85 2.869 4.567 -8.804 1.00 0.00 O ATOM 1091 CB PRO A 85 1.622 3.885 -6.019 1.00 0.00 C ATOM 1092 CG PRO A 85 0.183 4.243 -5.901 1.00 0.00 C ATOM 1093 CD PRO A 85 -0.065 5.298 -6.931 1.00 0.00 C ATOM 0 HA PRO A 85 2.927 5.656 -5.791 1.00 0.00 H new ATOM 0 HB2 PRO A 85 1.763 3.048 -6.703 1.00 0.00 H new ATOM 0 HB3 PRO A 85 2.030 3.581 -5.055 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -0.451 3.373 -6.073 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -0.047 4.612 -4.901 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -0.342 4.867 -7.893 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -0.873 5.968 -6.638 1.00 0.00 H new ATOM 1101 N ASP A 86 4.553 4.736 -7.317 1.00 0.00 N ATOM 1102 CA ASP A 86 5.573 4.236 -8.221 1.00 0.00 C ATOM 1103 C ASP A 86 5.305 2.771 -8.540 1.00 0.00 C ATOM 1104 O ASP A 86 5.572 2.313 -9.646 1.00 0.00 O ATOM 1105 CB ASP A 86 6.971 4.403 -7.614 1.00 0.00 C ATOM 1106 CG ASP A 86 7.337 5.855 -7.397 1.00 0.00 C ATOM 1107 OD1 ASP A 86 6.956 6.418 -6.351 1.00 0.00 O ATOM 1108 OD2 ASP A 86 8.003 6.446 -8.275 1.00 0.00 O ATOM 0 H ASP A 86 4.909 5.043 -6.412 1.00 0.00 H new ATOM 0 HA ASP A 86 5.535 4.816 -9.143 1.00 0.00 H new ATOM 0 HB2 ASP A 86 7.016 3.874 -6.662 1.00 0.00 H new ATOM 0 HB3 ASP A 86 7.707 3.940 -8.271 1.00 0.00 H new ATOM 1113 N VAL A 87 4.768 2.044 -7.559 1.00 0.00 N ATOM 1114 CA VAL A 87 4.350 0.655 -7.756 1.00 0.00 C ATOM 1115 C VAL A 87 3.058 0.358 -6.998 1.00 0.00 C ATOM 1116 O VAL A 87 2.873 0.805 -5.866 1.00 0.00 O ATOM 1117 CB VAL A 87 5.427 -0.366 -7.317 1.00 0.00 C ATOM 1118 CG1 VAL A 87 6.554 -0.459 -8.327 1.00 0.00 C ATOM 1119 CG2 VAL A 87 5.981 -0.031 -5.947 1.00 0.00 C ATOM 0 H VAL A 87 4.612 2.397 -6.615 1.00 0.00 H new ATOM 0 HA VAL A 87 4.191 0.544 -8.829 1.00 0.00 H new ATOM 0 HB VAL A 87 4.937 -1.338 -7.263 1.00 0.00 H new ATOM 0 HG11 VAL A 87 7.291 -1.186 -7.984 1.00 0.00 H new ATOM 0 HG12 VAL A 87 6.154 -0.775 -9.291 1.00 0.00 H new ATOM 0 HG13 VAL A 87 7.029 0.516 -8.433 1.00 0.00 H new ATOM 0 HG21 VAL A 87 6.735 -0.768 -5.669 1.00 0.00 H new ATOM 0 HG22 VAL A 87 6.434 0.960 -5.970 1.00 0.00 H new ATOM 0 HG23 VAL A 87 5.174 -0.044 -5.215 1.00 0.00 H new ATOM 1129 N THR A 88 2.166 -0.389 -7.632 1.00 0.00 N ATOM 1130 CA THR A 88 0.923 -0.806 -6.996 1.00 0.00 C ATOM 1131 C THR A 88 0.894 -2.325 -6.839 1.00 0.00 C ATOM 1132 O THR A 88 1.291 -3.051 -7.748 1.00 0.00 O ATOM 1133 CB THR A 88 -0.304 -0.354 -7.818 1.00 0.00 C ATOM 1134 OG1 THR A 88 -0.224 1.054 -8.082 1.00 0.00 O ATOM 1135 CG2 THR A 88 -1.605 -0.660 -7.082 1.00 0.00 C ATOM 0 H THR A 88 2.280 -0.720 -8.590 1.00 0.00 H new ATOM 0 HA THR A 88 0.878 -0.335 -6.014 1.00 0.00 H new ATOM 0 HB THR A 88 -0.301 -0.906 -8.758 1.00 0.00 H new ATOM 0 HG1 THR A 88 -1.004 1.334 -8.605 1.00 0.00 H new ATOM 0 HG21 THR A 88 -2.451 -0.330 -7.686 1.00 0.00 H new ATOM 0 HG22 THR A 88 -1.680 -1.733 -6.907 1.00 0.00 H new ATOM 0 HG23 THR A 88 -1.615 -0.135 -6.127 1.00 0.00 H new ATOM 1143 N PHE A 89 0.444 -2.793 -5.680 1.00 0.00 N ATOM 1144 CA PHE A 89 0.330 -4.221 -5.415 1.00 0.00 C ATOM 1145 C PHE A 89 -1.114 -4.572 -5.080 1.00 0.00 C ATOM 1146 O PHE A 89 -1.773 -3.852 -4.333 1.00 0.00 O ATOM 1147 CB PHE A 89 1.233 -4.636 -4.246 1.00 0.00 C ATOM 1148 CG PHE A 89 2.684 -4.284 -4.429 1.00 0.00 C ATOM 1149 CD1 PHE A 89 3.524 -5.102 -5.165 1.00 0.00 C ATOM 1150 CD2 PHE A 89 3.205 -3.134 -3.859 1.00 0.00 C ATOM 1151 CE1 PHE A 89 4.857 -4.779 -5.330 1.00 0.00 C ATOM 1152 CE2 PHE A 89 4.536 -2.808 -4.021 1.00 0.00 C ATOM 1153 CZ PHE A 89 5.364 -3.630 -4.758 1.00 0.00 C ATOM 0 H PHE A 89 0.151 -2.199 -4.905 1.00 0.00 H new ATOM 0 HA PHE A 89 0.645 -4.757 -6.310 1.00 0.00 H new ATOM 0 HB2 PHE A 89 0.868 -4.162 -3.335 1.00 0.00 H new ATOM 0 HB3 PHE A 89 1.148 -5.713 -4.101 1.00 0.00 H new ATOM 0 HD1 PHE A 89 3.133 -6.002 -5.615 1.00 0.00 H new ATOM 0 HD2 PHE A 89 2.563 -2.486 -3.282 1.00 0.00 H new ATOM 0 HE1 PHE A 89 5.502 -5.425 -5.906 1.00 0.00 H new ATOM 0 HE2 PHE A 89 4.930 -1.909 -3.571 1.00 0.00 H new ATOM 0 HZ PHE A 89 6.406 -3.375 -4.887 1.00 0.00 H new ATOM 1163 N THR A 90 -1.607 -5.661 -5.647 1.00 0.00 N ATOM 1164 CA THR A 90 -2.949 -6.136 -5.341 1.00 0.00 C ATOM 1165 C THR A 90 -2.869 -7.436 -4.541 1.00 0.00 C ATOM 1166 O THR A 90 -2.354 -8.441 -5.032 1.00 0.00 O ATOM 1167 CB THR A 90 -3.761 -6.370 -6.625 1.00 0.00 C ATOM 1168 OG1 THR A 90 -3.507 -5.307 -7.556 1.00 0.00 O ATOM 1169 CG2 THR A 90 -5.250 -6.432 -6.322 1.00 0.00 C ATOM 0 H THR A 90 -1.099 -6.233 -6.322 1.00 0.00 H new ATOM 0 HA THR A 90 -3.453 -5.371 -4.751 1.00 0.00 H new ATOM 0 HB THR A 90 -3.455 -7.323 -7.057 1.00 0.00 H new ATOM 0 HG1 THR A 90 -2.565 -5.327 -7.826 1.00 0.00 H new ATOM 0 HG21 THR A 90 -5.803 -6.598 -7.247 1.00 0.00 H new ATOM 0 HG22 THR A 90 -5.447 -7.250 -5.629 1.00 0.00 H new ATOM 0 HG23 THR A 90 -5.569 -5.492 -5.872 1.00 0.00 H new ATOM 1177 N ILE A 91 -3.366 -7.393 -3.311 1.00 0.00 N ATOM 1178 CA ILE A 91 -3.235 -8.493 -2.366 1.00 0.00 C ATOM 1179 C ILE A 91 -4.533 -8.653 -1.580 1.00 0.00 C ATOM 1180 O ILE A 91 -5.275 -7.694 -1.401 1.00 0.00 O ATOM 1181 CB ILE A 91 -2.083 -8.191 -1.374 1.00 0.00 C ATOM 1182 CG1 ILE A 91 -0.737 -8.139 -2.095 1.00 0.00 C ATOM 1183 CG2 ILE A 91 -2.033 -9.219 -0.259 1.00 0.00 C ATOM 1184 CD1 ILE A 91 0.344 -7.436 -1.307 1.00 0.00 C ATOM 0 H ILE A 91 -3.874 -6.590 -2.940 1.00 0.00 H new ATOM 0 HA ILE A 91 -3.021 -9.410 -2.915 1.00 0.00 H new ATOM 0 HB ILE A 91 -2.282 -7.214 -0.934 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -0.412 -9.156 -2.314 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -0.866 -7.632 -3.051 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -1.215 -8.980 0.420 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -2.975 -9.207 0.289 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -1.873 -10.210 -0.684 1.00 0.00 H new ATOM 0 HD11 ILE A 91 1.271 -7.437 -1.880 1.00 0.00 H new ATOM 0 HD12 ILE A 91 0.040 -6.408 -1.110 1.00 0.00 H new ATOM 0 HD13 ILE A 91 0.501 -7.955 -0.362 1.00 0.00 H new ATOM 1196 N SER A 92 -4.808 -9.863 -1.132 1.00 0.00 N ATOM 1197 CA SER A 92 -5.955 -10.121 -0.281 1.00 0.00 C ATOM 1198 C SER A 92 -5.587 -9.925 1.188 1.00 0.00 C ATOM 1199 O SER A 92 -4.467 -10.219 1.610 1.00 0.00 O ATOM 1200 CB SER A 92 -6.449 -11.544 -0.513 1.00 0.00 C ATOM 1201 OG SER A 92 -5.517 -12.269 -1.296 1.00 0.00 O ATOM 0 H SER A 92 -4.248 -10.689 -1.345 1.00 0.00 H new ATOM 0 HA SER A 92 -6.748 -9.417 -0.532 1.00 0.00 H new ATOM 0 HB2 SER A 92 -6.597 -12.045 0.444 1.00 0.00 H new ATOM 0 HB3 SER A 92 -7.416 -11.523 -1.015 1.00 0.00 H new ATOM 0 HG SER A 92 -5.142 -13.002 -0.764 1.00 0.00 H new ATOM 1207 N ASP A 93 -6.559 -9.431 1.951 1.00 0.00 N ATOM 1208 CA ASP A 93 -6.422 -9.195 3.393 1.00 0.00 C ATOM 1209 C ASP A 93 -5.939 -10.447 4.119 1.00 0.00 C ATOM 1210 O ASP A 93 -5.319 -10.372 5.179 1.00 0.00 O ATOM 1211 CB ASP A 93 -7.783 -8.766 3.952 1.00 0.00 C ATOM 1212 CG ASP A 93 -7.773 -8.509 5.448 1.00 0.00 C ATOM 1213 OD1 ASP A 93 -7.246 -7.466 5.877 1.00 0.00 O ATOM 1214 OD2 ASP A 93 -8.317 -9.348 6.200 1.00 0.00 O ATOM 0 H ASP A 93 -7.477 -9.179 1.584 1.00 0.00 H new ATOM 0 HA ASP A 93 -5.680 -8.412 3.551 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -8.108 -7.861 3.439 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -8.518 -9.540 3.730 1.00 0.00 H new ATOM 1219 N GLU A 94 -6.223 -11.594 3.524 1.00 0.00 N ATOM 1220 CA GLU A 94 -5.879 -12.884 4.103 1.00 0.00 C ATOM 1221 C GLU A 94 -4.386 -13.161 3.956 1.00 0.00 C ATOM 1222 O GLU A 94 -3.754 -13.730 4.847 1.00 0.00 O ATOM 1223 CB GLU A 94 -6.666 -13.994 3.399 1.00 0.00 C ATOM 1224 CG GLU A 94 -8.017 -13.551 2.852 1.00 0.00 C ATOM 1225 CD GLU A 94 -8.779 -14.691 2.207 1.00 0.00 C ATOM 1226 OE1 GLU A 94 -8.385 -15.125 1.103 1.00 0.00 O ATOM 1227 OE2 GLU A 94 -9.766 -15.164 2.804 1.00 0.00 O ATOM 0 H GLU A 94 -6.699 -11.658 2.624 1.00 0.00 H new ATOM 0 HA GLU A 94 -6.133 -12.862 5.163 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -6.065 -14.386 2.578 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -6.822 -14.814 4.100 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -8.614 -13.130 3.661 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -7.867 -12.757 2.120 1.00 0.00 H new ATOM 1234 N ASP A 95 -3.829 -12.735 2.830 1.00 0.00 N ATOM 1235 CA ASP A 95 -2.447 -13.050 2.481 1.00 0.00 C ATOM 1236 C ASP A 95 -1.493 -11.999 3.019 1.00 0.00 C ATOM 1237 O ASP A 95 -0.311 -12.275 3.233 1.00 0.00 O ATOM 1238 CB ASP A 95 -2.291 -13.148 0.960 1.00 0.00 C ATOM 1239 CG ASP A 95 -3.149 -14.237 0.354 1.00 0.00 C ATOM 1240 OD1 ASP A 95 -4.373 -14.029 0.215 1.00 0.00 O ATOM 1241 OD2 ASP A 95 -2.606 -15.310 0.021 1.00 0.00 O ATOM 0 H ASP A 95 -4.316 -12.166 2.137 1.00 0.00 H new ATOM 0 HA ASP A 95 -2.201 -14.010 2.935 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -2.554 -12.191 0.509 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -1.245 -13.338 0.718 1.00 0.00 H new ATOM 1246 N VAL A 96 -2.011 -10.794 3.248 1.00 0.00 N ATOM 1247 CA VAL A 96 -1.190 -9.689 3.726 1.00 0.00 C ATOM 1248 C VAL A 96 -0.467 -10.066 5.012 1.00 0.00 C ATOM 1249 O VAL A 96 0.679 -9.691 5.214 1.00 0.00 O ATOM 1250 CB VAL A 96 -2.025 -8.395 3.952 1.00 0.00 C ATOM 1251 CG1 VAL A 96 -2.015 -7.965 5.418 1.00 0.00 C ATOM 1252 CG2 VAL A 96 -1.510 -7.264 3.073 1.00 0.00 C ATOM 0 H VAL A 96 -2.994 -10.560 3.110 1.00 0.00 H new ATOM 0 HA VAL A 96 -0.455 -9.484 2.948 1.00 0.00 H new ATOM 0 HB VAL A 96 -3.055 -8.621 3.675 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -2.609 -7.058 5.535 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -2.439 -8.759 6.033 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -0.990 -7.771 5.733 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -2.107 -6.368 3.246 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -0.468 -7.059 3.318 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -1.586 -7.554 2.025 1.00 0.00 H new ATOM 1262 N VAL A 97 -1.128 -10.845 5.855 1.00 0.00 N ATOM 1263 CA VAL A 97 -0.623 -11.114 7.192 1.00 0.00 C ATOM 1264 C VAL A 97 0.725 -11.824 7.150 1.00 0.00 C ATOM 1265 O VAL A 97 1.548 -11.644 8.044 1.00 0.00 O ATOM 1266 CB VAL A 97 -1.626 -11.939 8.029 1.00 0.00 C ATOM 1267 CG1 VAL A 97 -3.028 -11.376 7.876 1.00 0.00 C ATOM 1268 CG2 VAL A 97 -1.593 -13.411 7.651 1.00 0.00 C ATOM 0 H VAL A 97 -2.014 -11.301 5.637 1.00 0.00 H new ATOM 0 HA VAL A 97 -0.490 -10.145 7.674 1.00 0.00 H new ATOM 0 HB VAL A 97 -1.330 -11.864 9.075 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -3.724 -11.967 8.471 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -3.044 -10.342 8.219 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -3.323 -11.415 6.827 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -2.311 -13.959 8.260 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -1.851 -13.522 6.598 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -0.593 -13.809 7.823 1.00 0.00 H new ATOM 1278 N ASP A 98 0.948 -12.625 6.114 1.00 0.00 N ATOM 1279 CA ASP A 98 2.218 -13.311 5.954 1.00 0.00 C ATOM 1280 C ASP A 98 3.171 -12.473 5.120 1.00 0.00 C ATOM 1281 O ASP A 98 4.382 -12.599 5.240 1.00 0.00 O ATOM 1282 CB ASP A 98 2.039 -14.682 5.312 1.00 0.00 C ATOM 1283 CG ASP A 98 1.106 -15.579 6.096 1.00 0.00 C ATOM 1284 OD1 ASP A 98 1.493 -16.026 7.198 1.00 0.00 O ATOM 1285 OD2 ASP A 98 -0.010 -15.850 5.615 1.00 0.00 O ATOM 0 H ASP A 98 0.268 -12.813 5.378 1.00 0.00 H new ATOM 0 HA ASP A 98 2.639 -13.455 6.949 1.00 0.00 H new ATOM 0 HB2 ASP A 98 1.651 -14.557 4.301 1.00 0.00 H new ATOM 0 HB3 ASP A 98 3.011 -15.166 5.223 1.00 0.00 H new ATOM 1290 N LEU A 99 2.622 -11.618 4.272 1.00 0.00 N ATOM 1291 CA LEU A 99 3.444 -10.736 3.448 1.00 0.00 C ATOM 1292 C LEU A 99 4.073 -9.646 4.306 1.00 0.00 C ATOM 1293 O LEU A 99 5.240 -9.295 4.130 1.00 0.00 O ATOM 1294 CB LEU A 99 2.616 -10.117 2.319 1.00 0.00 C ATOM 1295 CG LEU A 99 2.178 -11.093 1.224 1.00 0.00 C ATOM 1296 CD1 LEU A 99 1.231 -10.418 0.251 1.00 0.00 C ATOM 1297 CD2 LEU A 99 3.388 -11.637 0.484 1.00 0.00 C ATOM 0 H LEU A 99 1.617 -11.513 4.134 1.00 0.00 H new ATOM 0 HA LEU A 99 4.240 -11.330 2.999 1.00 0.00 H new ATOM 0 HB2 LEU A 99 1.727 -9.658 2.751 1.00 0.00 H new ATOM 0 HB3 LEU A 99 3.197 -9.317 1.860 1.00 0.00 H new ATOM 0 HG LEU A 99 1.653 -11.923 1.698 1.00 0.00 H new ATOM 0 HD11 LEU A 99 0.932 -11.129 -0.519 1.00 0.00 H new ATOM 0 HD12 LEU A 99 0.347 -10.070 0.786 1.00 0.00 H new ATOM 0 HD13 LEU A 99 1.732 -9.569 -0.214 1.00 0.00 H new ATOM 0 HD21 LEU A 99 3.059 -12.329 -0.291 1.00 0.00 H new ATOM 0 HD22 LEU A 99 3.935 -10.813 0.026 1.00 0.00 H new ATOM 0 HD23 LEU A 99 4.039 -12.160 1.185 1.00 0.00 H new ATOM 1309 N ILE A 100 3.294 -9.129 5.248 1.00 0.00 N ATOM 1310 CA ILE A 100 3.779 -8.121 6.177 1.00 0.00 C ATOM 1311 C ILE A 100 4.821 -8.729 7.111 1.00 0.00 C ATOM 1312 O ILE A 100 5.878 -8.142 7.355 1.00 0.00 O ATOM 1313 CB ILE A 100 2.641 -7.535 7.048 1.00 0.00 C ATOM 1314 CG1 ILE A 100 1.443 -7.076 6.203 1.00 0.00 C ATOM 1315 CG2 ILE A 100 3.180 -6.386 7.892 1.00 0.00 C ATOM 1316 CD1 ILE A 100 1.531 -5.662 5.699 1.00 0.00 C ATOM 0 H ILE A 100 2.319 -9.394 5.387 1.00 0.00 H new ATOM 0 HA ILE A 100 4.211 -7.321 5.576 1.00 0.00 H new ATOM 0 HB ILE A 100 2.278 -8.326 7.704 1.00 0.00 H new ATOM 0 HG12 ILE A 100 1.341 -7.745 5.349 1.00 0.00 H new ATOM 0 HG13 ILE A 100 0.536 -7.179 6.798 1.00 0.00 H new ATOM 0 HG21 ILE A 100 2.377 -5.976 8.504 1.00 0.00 H new ATOM 0 HG22 ILE A 100 3.977 -6.752 8.538 1.00 0.00 H new ATOM 0 HG23 ILE A 100 3.572 -5.607 7.238 1.00 0.00 H new ATOM 0 HD11 ILE A 100 0.642 -5.428 5.114 1.00 0.00 H new ATOM 0 HD12 ILE A 100 1.599 -4.978 6.545 1.00 0.00 H new ATOM 0 HD13 ILE A 100 2.416 -5.553 5.073 1.00 0.00 H new ATOM 1328 N SER A 101 4.517 -9.917 7.613 1.00 0.00 N ATOM 1329 CA SER A 101 5.355 -10.577 8.601 1.00 0.00 C ATOM 1330 C SER A 101 6.601 -11.196 7.963 1.00 0.00 C ATOM 1331 O SER A 101 7.643 -11.321 8.605 1.00 0.00 O ATOM 1332 CB SER A 101 4.538 -11.649 9.318 1.00 0.00 C ATOM 1333 OG SER A 101 3.981 -12.560 8.388 1.00 0.00 O ATOM 0 H SER A 101 3.687 -10.447 7.348 1.00 0.00 H new ATOM 0 HA SER A 101 5.695 -9.830 9.318 1.00 0.00 H new ATOM 0 HB2 SER A 101 5.172 -12.185 10.024 1.00 0.00 H new ATOM 0 HB3 SER A 101 3.742 -11.180 9.897 1.00 0.00 H new ATOM 0 HG SER A 101 3.003 -12.500 8.416 1.00 0.00 H new ATOM 1339 N GLY A 102 6.488 -11.577 6.698 1.00 0.00 N ATOM 1340 CA GLY A 102 7.609 -12.188 6.009 1.00 0.00 C ATOM 1341 C GLY A 102 7.443 -13.684 5.810 1.00 0.00 C ATOM 1342 O GLY A 102 8.307 -14.336 5.227 1.00 0.00 O ATOM 0 H GLY A 102 5.642 -11.475 6.137 1.00 0.00 H new ATOM 0 HA2 GLY A 102 7.735 -11.710 5.037 1.00 0.00 H new ATOM 0 HA3 GLY A 102 8.521 -12.002 6.576 1.00 0.00 H new ATOM 1346 N LYS A 103 6.337 -14.234 6.302 1.00 0.00 N ATOM 1347 CA LYS A 103 6.039 -15.652 6.138 1.00 0.00 C ATOM 1348 C LYS A 103 5.784 -16.004 4.679 1.00 0.00 C ATOM 1349 O LYS A 103 6.210 -17.054 4.200 1.00 0.00 O ATOM 1350 CB LYS A 103 4.815 -16.032 6.958 1.00 0.00 C ATOM 1351 CG LYS A 103 5.103 -16.279 8.423 1.00 0.00 C ATOM 1352 CD LYS A 103 5.595 -15.033 9.120 1.00 0.00 C ATOM 1353 CE LYS A 103 5.716 -15.247 10.618 1.00 0.00 C ATOM 1354 NZ LYS A 103 4.404 -15.580 11.234 1.00 0.00 N ATOM 0 H LYS A 103 5.629 -13.715 6.821 1.00 0.00 H new ATOM 0 HA LYS A 103 6.909 -16.209 6.486 1.00 0.00 H new ATOM 0 HB2 LYS A 103 4.074 -15.237 6.874 1.00 0.00 H new ATOM 0 HB3 LYS A 103 4.369 -16.930 6.530 1.00 0.00 H new ATOM 0 HG2 LYS A 103 4.199 -16.637 8.915 1.00 0.00 H new ATOM 0 HG3 LYS A 103 5.850 -17.067 8.518 1.00 0.00 H new ATOM 0 HD2 LYS A 103 6.564 -14.745 8.713 1.00 0.00 H new ATOM 0 HD3 LYS A 103 4.909 -14.209 8.923 1.00 0.00 H new ATOM 0 HE2 LYS A 103 6.425 -16.051 10.815 1.00 0.00 H new ATOM 0 HE3 LYS A 103 6.118 -14.347 11.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 4.447 -15.405 12.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 3.662 -14.986 10.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 4.184 -16.582 11.063 1.00 0.00 H new ATOM 1368 N LEU A 104 5.083 -15.127 3.986 1.00 0.00 N ATOM 1369 CA LEU A 104 4.707 -15.382 2.609 1.00 0.00 C ATOM 1370 C LEU A 104 5.604 -14.610 1.652 1.00 0.00 C ATOM 1371 O LEU A 104 5.827 -13.409 1.817 1.00 0.00 O ATOM 1372 CB LEU A 104 3.236 -15.014 2.396 1.00 0.00 C ATOM 1373 CG LEU A 104 2.705 -15.148 0.971 1.00 0.00 C ATOM 1374 CD1 LEU A 104 2.913 -16.558 0.449 1.00 0.00 C ATOM 1375 CD2 LEU A 104 1.233 -14.773 0.918 1.00 0.00 C ATOM 0 H LEU A 104 4.762 -14.231 4.354 1.00 0.00 H new ATOM 0 HA LEU A 104 4.836 -16.444 2.400 1.00 0.00 H new ATOM 0 HB2 LEU A 104 2.628 -15.642 3.048 1.00 0.00 H new ATOM 0 HB3 LEU A 104 3.091 -13.983 2.720 1.00 0.00 H new ATOM 0 HG LEU A 104 3.262 -14.463 0.332 1.00 0.00 H new ATOM 0 HD11 LEU A 104 2.527 -16.630 -0.568 1.00 0.00 H new ATOM 0 HD12 LEU A 104 3.977 -16.793 0.451 1.00 0.00 H new ATOM 0 HD13 LEU A 104 2.384 -17.265 1.089 1.00 0.00 H new ATOM 0 HD21 LEU A 104 0.869 -14.873 -0.104 1.00 0.00 H new ATOM 0 HD22 LEU A 104 0.665 -15.435 1.572 1.00 0.00 H new ATOM 0 HD23 LEU A 104 1.108 -13.742 1.248 1.00 0.00 H new ATOM 1387 N ASN A 105 6.135 -15.321 0.669 1.00 0.00 N ATOM 1388 CA ASN A 105 6.948 -14.714 -0.370 1.00 0.00 C ATOM 1389 C ASN A 105 6.059 -14.010 -1.384 1.00 0.00 C ATOM 1390 O ASN A 105 5.169 -14.627 -1.975 1.00 0.00 O ATOM 1391 CB ASN A 105 7.782 -15.781 -1.089 1.00 0.00 C ATOM 1392 CG ASN A 105 8.850 -16.399 -0.209 1.00 0.00 C ATOM 1393 OD1 ASN A 105 8.616 -17.404 0.459 1.00 0.00 O ATOM 1394 ND2 ASN A 105 10.032 -15.808 -0.204 1.00 0.00 N ATOM 0 H ASN A 105 6.015 -16.329 0.570 1.00 0.00 H new ATOM 0 HA ASN A 105 7.616 -13.990 0.097 1.00 0.00 H new ATOM 0 HB2 ASN A 105 7.120 -16.567 -1.451 1.00 0.00 H new ATOM 0 HB3 ASN A 105 8.255 -15.334 -1.964 1.00 0.00 H new ATOM 0 HD21 ASN A 105 10.788 -16.185 0.368 1.00 0.00 H new ATOM 0 HD22 ASN A 105 10.188 -14.975 -0.772 1.00 0.00 H new ATOM 1401 N PRO A 106 6.281 -12.704 -1.603 1.00 0.00 N ATOM 1402 CA PRO A 106 5.553 -11.956 -2.620 1.00 0.00 C ATOM 1403 C PRO A 106 5.879 -12.489 -4.005 1.00 0.00 C ATOM 1404 O PRO A 106 5.081 -12.376 -4.931 1.00 0.00 O ATOM 1405 CB PRO A 106 6.027 -10.507 -2.469 1.00 0.00 C ATOM 1406 CG PRO A 106 6.874 -10.460 -1.238 1.00 0.00 C ATOM 1407 CD PRO A 106 7.254 -11.872 -0.882 1.00 0.00 C ATOM 0 HA PRO A 106 4.473 -12.042 -2.499 1.00 0.00 H new ATOM 0 HB2 PRO A 106 6.597 -10.193 -3.343 1.00 0.00 H new ATOM 0 HB3 PRO A 106 5.178 -9.829 -2.381 1.00 0.00 H new ATOM 0 HG2 PRO A 106 7.766 -9.857 -1.411 1.00 0.00 H new ATOM 0 HG3 PRO A 106 6.329 -9.994 -0.418 1.00 0.00 H new ATOM 0 HD2 PRO A 106 8.275 -12.098 -1.189 1.00 0.00 H new ATOM 0 HD3 PRO A 106 7.200 -12.039 0.194 1.00 0.00 H new ATOM 1415 N GLN A 107 7.058 -13.086 -4.120 1.00 0.00 N ATOM 1416 CA GLN A 107 7.472 -13.754 -5.338 1.00 0.00 C ATOM 1417 C GLN A 107 6.523 -14.893 -5.690 1.00 0.00 C ATOM 1418 O GLN A 107 5.933 -14.912 -6.770 1.00 0.00 O ATOM 1419 CB GLN A 107 8.871 -14.320 -5.165 1.00 0.00 C ATOM 1420 CG GLN A 107 9.973 -13.276 -5.128 1.00 0.00 C ATOM 1421 CD GLN A 107 11.353 -13.900 -5.059 1.00 0.00 C ATOM 1422 OE1 GLN A 107 11.985 -14.153 -6.085 1.00 0.00 O ATOM 1423 NE2 GLN A 107 11.823 -14.168 -3.854 1.00 0.00 N ATOM 0 H GLN A 107 7.750 -13.119 -3.371 1.00 0.00 H new ATOM 0 HA GLN A 107 7.458 -13.020 -6.143 1.00 0.00 H new ATOM 0 HB2 GLN A 107 8.904 -14.897 -4.241 1.00 0.00 H new ATOM 0 HB3 GLN A 107 9.072 -15.013 -5.982 1.00 0.00 H new ATOM 0 HG2 GLN A 107 9.905 -12.647 -6.016 1.00 0.00 H new ATOM 0 HG3 GLN A 107 9.827 -12.626 -4.265 1.00 0.00 H new ATOM 0 HE21 GLN A 107 11.268 -13.943 -3.028 1.00 0.00 H new ATOM 0 HE22 GLN A 107 12.741 -14.600 -3.749 1.00 0.00 H new ATOM 1432 N LYS A 108 6.389 -15.849 -4.778 1.00 0.00 N ATOM 1433 CA LYS A 108 5.517 -16.991 -5.006 1.00 0.00 C ATOM 1434 C LYS A 108 4.078 -16.529 -5.125 1.00 0.00 C ATOM 1435 O LYS A 108 3.310 -17.062 -5.917 1.00 0.00 O ATOM 1436 CB LYS A 108 5.654 -18.033 -3.881 1.00 0.00 C ATOM 1437 CG LYS A 108 4.920 -17.688 -2.586 1.00 0.00 C ATOM 1438 CD LYS A 108 3.820 -18.690 -2.257 1.00 0.00 C ATOM 1439 CE LYS A 108 2.514 -18.348 -2.954 1.00 0.00 C ATOM 1440 NZ LYS A 108 1.773 -17.251 -2.287 1.00 0.00 N ATOM 0 H LYS A 108 6.871 -15.855 -3.879 1.00 0.00 H new ATOM 0 HA LYS A 108 5.818 -17.467 -5.939 1.00 0.00 H new ATOM 0 HB2 LYS A 108 5.283 -18.991 -4.247 1.00 0.00 H new ATOM 0 HB3 LYS A 108 6.712 -18.166 -3.656 1.00 0.00 H new ATOM 0 HG2 LYS A 108 5.635 -17.655 -1.764 1.00 0.00 H new ATOM 0 HG3 LYS A 108 4.486 -16.692 -2.672 1.00 0.00 H new ATOM 0 HD2 LYS A 108 4.139 -19.689 -2.554 1.00 0.00 H new ATOM 0 HD3 LYS A 108 3.661 -18.713 -1.179 1.00 0.00 H new ATOM 0 HE2 LYS A 108 2.722 -18.064 -3.986 1.00 0.00 H new ATOM 0 HE3 LYS A 108 1.883 -19.236 -2.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 0.984 -16.947 -2.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 1.401 -17.587 -1.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 2.414 -16.448 -2.124 1.00 0.00 H new ATOM 1454 N ALA A 109 3.716 -15.520 -4.344 1.00 0.00 N ATOM 1455 CA ALA A 109 2.348 -15.035 -4.349 1.00 0.00 C ATOM 1456 C ALA A 109 2.027 -14.400 -5.694 1.00 0.00 C ATOM 1457 O ALA A 109 0.906 -14.504 -6.183 1.00 0.00 O ATOM 1458 CB ALA A 109 2.115 -14.054 -3.214 1.00 0.00 C ATOM 0 H ALA A 109 4.344 -15.029 -3.708 1.00 0.00 H new ATOM 0 HA ALA A 109 1.678 -15.881 -4.195 1.00 0.00 H new ATOM 0 HB1 ALA A 109 1.082 -13.706 -3.240 1.00 0.00 H new ATOM 0 HB2 ALA A 109 2.307 -14.547 -2.261 1.00 0.00 H new ATOM 0 HB3 ALA A 109 2.788 -13.203 -3.324 1.00 0.00 H new ATOM 1464 N PHE A 110 3.030 -13.760 -6.290 1.00 0.00 N ATOM 1465 CA PHE A 110 2.901 -13.185 -7.622 1.00 0.00 C ATOM 1466 C PHE A 110 2.510 -14.271 -8.619 1.00 0.00 C ATOM 1467 O PHE A 110 1.518 -14.150 -9.338 1.00 0.00 O ATOM 1468 CB PHE A 110 4.230 -12.537 -8.042 1.00 0.00 C ATOM 1469 CG PHE A 110 4.214 -11.886 -9.403 1.00 0.00 C ATOM 1470 CD1 PHE A 110 4.420 -12.637 -10.550 1.00 0.00 C ATOM 1471 CD2 PHE A 110 4.005 -10.521 -9.533 1.00 0.00 C ATOM 1472 CE1 PHE A 110 4.414 -12.040 -11.796 1.00 0.00 C ATOM 1473 CE2 PHE A 110 3.998 -9.921 -10.777 1.00 0.00 C ATOM 1474 CZ PHE A 110 4.201 -10.682 -11.909 1.00 0.00 C ATOM 0 H PHE A 110 3.948 -13.627 -5.865 1.00 0.00 H new ATOM 0 HA PHE A 110 2.124 -12.421 -7.608 1.00 0.00 H new ATOM 0 HB2 PHE A 110 4.503 -11.787 -7.299 1.00 0.00 H new ATOM 0 HB3 PHE A 110 5.010 -13.298 -8.028 1.00 0.00 H new ATOM 0 HD1 PHE A 110 4.587 -13.701 -10.469 1.00 0.00 H new ATOM 0 HD2 PHE A 110 3.846 -9.920 -8.650 1.00 0.00 H new ATOM 0 HE1 PHE A 110 4.576 -12.637 -12.681 1.00 0.00 H new ATOM 0 HE2 PHE A 110 3.834 -8.857 -10.863 1.00 0.00 H new ATOM 0 HZ PHE A 110 4.193 -10.215 -12.883 1.00 0.00 H new ATOM 1484 N PHE A 111 3.292 -15.347 -8.621 1.00 0.00 N ATOM 1485 CA PHE A 111 3.086 -16.463 -9.538 1.00 0.00 C ATOM 1486 C PHE A 111 1.736 -17.130 -9.290 1.00 0.00 C ATOM 1487 O PHE A 111 1.097 -17.638 -10.212 1.00 0.00 O ATOM 1488 CB PHE A 111 4.210 -17.487 -9.360 1.00 0.00 C ATOM 1489 CG PHE A 111 4.272 -18.515 -10.454 1.00 0.00 C ATOM 1490 CD1 PHE A 111 4.957 -18.253 -11.630 1.00 0.00 C ATOM 1491 CD2 PHE A 111 3.645 -19.741 -10.308 1.00 0.00 C ATOM 1492 CE1 PHE A 111 5.013 -19.195 -12.638 1.00 0.00 C ATOM 1493 CE2 PHE A 111 3.698 -20.686 -11.311 1.00 0.00 C ATOM 1494 CZ PHE A 111 4.382 -20.414 -12.480 1.00 0.00 C ATOM 0 H PHE A 111 4.083 -15.469 -7.989 1.00 0.00 H new ATOM 0 HA PHE A 111 3.096 -16.079 -10.558 1.00 0.00 H new ATOM 0 HB2 PHE A 111 5.164 -16.961 -9.313 1.00 0.00 H new ATOM 0 HB3 PHE A 111 4.079 -17.994 -8.404 1.00 0.00 H new ATOM 0 HD1 PHE A 111 5.452 -17.302 -11.759 1.00 0.00 H new ATOM 0 HD2 PHE A 111 3.108 -19.960 -9.397 1.00 0.00 H new ATOM 0 HE1 PHE A 111 5.550 -18.979 -13.550 1.00 0.00 H new ATOM 0 HE2 PHE A 111 3.205 -21.638 -11.183 1.00 0.00 H new ATOM 0 HZ PHE A 111 4.423 -21.152 -13.268 1.00 0.00 H new ATOM 1504 N GLN A 112 1.308 -17.114 -8.037 1.00 0.00 N ATOM 1505 CA GLN A 112 0.058 -17.741 -7.639 1.00 0.00 C ATOM 1506 C GLN A 112 -1.138 -16.810 -7.854 1.00 0.00 C ATOM 1507 O GLN A 112 -2.280 -17.184 -7.588 1.00 0.00 O ATOM 1508 CB GLN A 112 0.154 -18.170 -6.177 1.00 0.00 C ATOM 1509 CG GLN A 112 1.151 -19.294 -5.936 1.00 0.00 C ATOM 1510 CD GLN A 112 0.693 -20.632 -6.485 1.00 0.00 C ATOM 1511 OE1 GLN A 112 -0.038 -20.701 -7.470 1.00 0.00 O ATOM 1512 NE2 GLN A 112 1.128 -21.707 -5.851 1.00 0.00 N ATOM 0 H GLN A 112 1.814 -16.669 -7.272 1.00 0.00 H new ATOM 0 HA GLN A 112 -0.105 -18.617 -8.267 1.00 0.00 H new ATOM 0 HB2 GLN A 112 0.437 -17.309 -5.572 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -0.831 -18.489 -5.835 1.00 0.00 H new ATOM 0 HG2 GLN A 112 2.104 -19.029 -6.393 1.00 0.00 H new ATOM 0 HG3 GLN A 112 1.327 -19.390 -4.865 1.00 0.00 H new ATOM 0 HE21 GLN A 112 1.734 -21.608 -5.036 1.00 0.00 H new ATOM 0 HE22 GLN A 112 0.858 -22.635 -6.176 1.00 0.00 H new ATOM 1521 N GLY A 113 -0.872 -15.596 -8.322 1.00 0.00 N ATOM 1522 CA GLY A 113 -1.946 -14.675 -8.656 1.00 0.00 C ATOM 1523 C GLY A 113 -2.408 -13.841 -7.476 1.00 0.00 C ATOM 1524 O GLY A 113 -3.352 -13.057 -7.592 1.00 0.00 O ATOM 0 H GLY A 113 0.068 -15.232 -8.477 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -1.611 -14.011 -9.453 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -2.792 -15.240 -9.046 1.00 0.00 H new ATOM 1528 N LYS A 114 -1.732 -13.985 -6.345 1.00 0.00 N ATOM 1529 CA LYS A 114 -2.113 -13.272 -5.133 1.00 0.00 C ATOM 1530 C LYS A 114 -1.327 -11.984 -4.982 1.00 0.00 C ATOM 1531 O LYS A 114 -1.353 -11.344 -3.933 1.00 0.00 O ATOM 1532 CB LYS A 114 -1.928 -14.163 -3.903 1.00 0.00 C ATOM 1533 CG LYS A 114 -2.996 -15.243 -3.762 1.00 0.00 C ATOM 1534 CD LYS A 114 -4.300 -14.723 -3.149 1.00 0.00 C ATOM 1535 CE LYS A 114 -4.929 -13.591 -3.952 1.00 0.00 C ATOM 1536 NZ LYS A 114 -6.358 -13.392 -3.598 1.00 0.00 N ATOM 0 H LYS A 114 -0.917 -14.589 -6.241 1.00 0.00 H new ATOM 0 HA LYS A 114 -3.168 -13.012 -5.217 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -0.948 -14.638 -3.953 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -1.934 -13.539 -3.009 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -3.207 -15.667 -4.744 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -2.607 -16.051 -3.142 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -5.012 -15.545 -3.073 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -4.104 -14.376 -2.135 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -4.378 -12.668 -3.772 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -4.845 -13.810 -5.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -6.837 -12.876 -4.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -6.815 -14.317 -3.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -6.424 -12.843 -2.717 1.00 0.00 H new ATOM 1550 N ILE A 115 -0.629 -11.619 -6.037 1.00 0.00 N ATOM 1551 CA ILE A 115 0.083 -10.363 -6.086 1.00 0.00 C ATOM 1552 C ILE A 115 0.079 -9.830 -7.515 1.00 0.00 C ATOM 1553 O ILE A 115 0.660 -10.418 -8.430 1.00 0.00 O ATOM 1554 CB ILE A 115 1.514 -10.510 -5.491 1.00 0.00 C ATOM 1555 CG1 ILE A 115 1.576 -9.837 -4.131 1.00 0.00 C ATOM 1556 CG2 ILE A 115 2.576 -9.899 -6.374 1.00 0.00 C ATOM 1557 CD1 ILE A 115 2.659 -10.378 -3.238 1.00 0.00 C ATOM 0 H ILE A 115 -0.540 -12.184 -6.882 1.00 0.00 H new ATOM 0 HA ILE A 115 -0.425 -9.627 -5.462 1.00 0.00 H new ATOM 0 HB ILE A 115 1.713 -11.579 -5.410 1.00 0.00 H new ATOM 0 HG12 ILE A 115 1.733 -8.768 -4.271 1.00 0.00 H new ATOM 0 HG13 ILE A 115 0.614 -9.955 -3.633 1.00 0.00 H new ATOM 0 HG21 ILE A 115 3.554 -10.030 -5.911 1.00 0.00 H new ATOM 0 HG22 ILE A 115 2.567 -10.390 -7.347 1.00 0.00 H new ATOM 0 HG23 ILE A 115 2.375 -8.835 -6.502 1.00 0.00 H new ATOM 0 HD11 ILE A 115 2.642 -9.850 -2.285 1.00 0.00 H new ATOM 0 HD12 ILE A 115 2.492 -11.441 -3.066 1.00 0.00 H new ATOM 0 HD13 ILE A 115 3.629 -10.236 -3.715 1.00 0.00 H new ATOM 1569 N LYS A 116 -0.673 -8.759 -7.710 1.00 0.00 N ATOM 1570 CA LYS A 116 -0.734 -8.082 -8.995 1.00 0.00 C ATOM 1571 C LYS A 116 -0.021 -6.745 -8.883 1.00 0.00 C ATOM 1572 O LYS A 116 -0.573 -5.780 -8.351 1.00 0.00 O ATOM 1573 CB LYS A 116 -2.188 -7.860 -9.430 1.00 0.00 C ATOM 1574 CG LYS A 116 -3.040 -9.120 -9.442 1.00 0.00 C ATOM 1575 CD LYS A 116 -2.651 -10.054 -10.574 1.00 0.00 C ATOM 1576 CE LYS A 116 -3.539 -11.288 -10.602 1.00 0.00 C ATOM 1577 NZ LYS A 116 -3.265 -12.144 -11.787 1.00 0.00 N ATOM 0 H LYS A 116 -1.255 -8.336 -6.987 1.00 0.00 H new ATOM 0 HA LYS A 116 -0.248 -8.705 -9.746 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -2.647 -7.132 -8.761 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -2.193 -7.423 -10.429 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -2.934 -9.639 -8.490 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -4.091 -8.847 -9.541 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -2.727 -9.527 -11.525 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -1.610 -10.355 -10.458 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -3.383 -11.868 -9.692 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -4.585 -10.982 -10.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -3.891 -12.974 -11.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -3.438 -11.600 -12.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -2.274 -12.458 -11.767 1.00 0.00 H new ATOM 1591 N ILE A 117 1.213 -6.704 -9.348 1.00 0.00 N ATOM 1592 CA ILE A 117 2.021 -5.506 -9.259 1.00 0.00 C ATOM 1593 C ILE A 117 2.339 -4.969 -10.650 1.00 0.00 C ATOM 1594 O ILE A 117 2.640 -5.727 -11.575 1.00 0.00 O ATOM 1595 CB ILE A 117 3.307 -5.764 -8.419 1.00 0.00 C ATOM 1596 CG1 ILE A 117 4.544 -5.058 -8.982 1.00 0.00 C ATOM 1597 CG2 ILE A 117 3.573 -7.249 -8.268 1.00 0.00 C ATOM 1598 CD1 ILE A 117 4.605 -3.576 -8.675 1.00 0.00 C ATOM 0 H ILE A 117 1.679 -7.494 -9.794 1.00 0.00 H new ATOM 0 HA ILE A 117 1.450 -4.737 -8.738 1.00 0.00 H new ATOM 0 HB ILE A 117 3.115 -5.334 -7.436 1.00 0.00 H new ATOM 0 HG12 ILE A 117 5.437 -5.538 -8.581 1.00 0.00 H new ATOM 0 HG13 ILE A 117 4.567 -5.195 -10.063 1.00 0.00 H new ATOM 0 HG21 ILE A 117 4.477 -7.399 -7.677 1.00 0.00 H new ATOM 0 HG22 ILE A 117 2.729 -7.721 -7.765 1.00 0.00 H new ATOM 0 HG23 ILE A 117 3.705 -7.697 -9.253 1.00 0.00 H new ATOM 0 HD11 ILE A 117 5.511 -3.152 -9.109 1.00 0.00 H new ATOM 0 HD12 ILE A 117 3.732 -3.080 -9.100 1.00 0.00 H new ATOM 0 HD13 ILE A 117 4.616 -3.428 -7.595 1.00 0.00 H new