USER MOD reduce.3.24.130724 H: found=0, std=0, add=1349, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 1346 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 114 CYS SG : rot 90:sc= 0.187 USER MOD Set 1.2: A 120 GLN : amide:sc= -0.691! C(o=-0.5!,f=-6.4!) USER MOD Set 2.1: A 106 GLN : amide:sc= -3.18! C(o=-4.5!,f=-6.5!) USER MOD Set 2.2: A 108 TYR OH : rot -179:sc= -1.29! USER MOD Set 3.1: A 69 TYR OH : rot 30:sc= 0.819 USER MOD Set 3.2: A 70 GLN : amide:sc= 1.07 K(o=1.9,f=0.026!) USER MOD Set 4.1: A 49 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 5.1: A 20 TYR OH : rot 180:sc= 0 USER MOD Set 5.2: A 22 CYS SG : rot -102:sc= 0.716 USER MOD Set 5.3: A 24 CYS SG : rot -83:sc= 0.421 USER MOD Set 5.4: A 26 CYS SG : rot 170:sc= -0.174 USER MOD Set 6.1: A 8 SER OG : rot 120:sc= -0.643 USER MOD Set 6.2: A 10 TYR OH : rot 180:sc= -0.0839 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -0.234 K(o=-0.23,f=-2.2!) USER MOD Single : A 16 GLN : amide:sc= -0.246 X(o=-0.25,f=-0.19) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0.0292 USER MOD Single : A 36 CYS SG : rot 43:sc= -1.48 USER MOD Single : A 37 ASN :FLIP amide:sc= -0.903 F(o=-7.7!,f=-0.9) USER MOD Single : A 38 SER OG : rot 24:sc= 0.784 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -0.447 X(o=-0.45,f=-0.13) USER MOD Single : A 55 SER OG : rot 57:sc= 0.208 USER MOD Single : A 57 HIS : no HD1:sc= -0.0289 X(o=-0.029,f=0) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 GLN :FLIP amide:sc= 0 F(o=-1.1!,f=0) USER MOD Single : A 66 TYR OH : rot 180:sc= -0.371 USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -0.183 K(o=-0.18,f=-5.3!) USER MOD Single : A 81 SER OG : rot -92:sc= -0.0203 USER MOD Single : A 82 CYS SG : rot 30:sc= -0.0702 USER MOD Single : A 86 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 LYS NZ :NH3+ -136:sc= -2.66! (180deg=-5.35!) USER MOD Single : A 96 GLN : amide:sc= -0.696 X(o=-0.7,f=-0.83) USER MOD Single : A 100 LYS NZ :NH3+ 160:sc= -0.0409 (180deg=-0.46) USER MOD Single : A 104 ASN : amide:sc= -0.114 K(o=-0.11,f=-5.1!) USER MOD Single : A 107 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0.0687 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 118 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 122 HIS : no HD1:sc= -1.34 K(o=-1.3,f=-2.7!) USER MOD Single : A 127 HIS : no HD1:sc= -1.99 X(o=-2,f=-1.6) USER MOD Single : A 128 SER OG : rot -164:sc= -0.52! USER MOD Single : A 129 CYS SG : rot -73:sc= 0.963 USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 135 THR OG1 : rot 180:sc= 0 USER MOD Single : A 139 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 ASN : amide:sc= -1.59! C(o=-1.6!,f=-6.3!) USER MOD Single : A 144 TYR OH : rot 180:sc= -0.224 USER MOD Single : A 148 GLN :FLIP amide:sc= -0.972 F(o=-2.6!,f=-0.97) USER MOD Single : A 149 TYR OH : rot 180:sc= -0.0172 USER MOD Single : A 153 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 154 LYS NZ :NH3+ -160:sc= -0.0221 (180deg=-0.295) USER MOD Single : A 156 TYR OH : rot 0:sc= 0.624 USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 166 SER OG : rot 180:sc= 0.0483 USER MOD Single : A 170 GLN : amide:sc= -7.47! C(o=-7.5!,f=-9.4!) USER MOD Single : A 171 SER OG : rot -133:sc= -0.865 USER MOD ----------------------------------------------------------------- ATOM 57 N GLY A 5 -9.812 -9.803 -11.539 1.00 0.01 N ATOM 58 CA GLY A 5 -9.634 -8.932 -10.342 1.00 0.01 C ATOM 59 C GLY A 5 -10.914 -8.132 -10.089 1.00 0.01 C ATOM 60 O GLY A 5 -11.599 -7.728 -11.007 1.00 0.01 O ATOM 0 HA2 GLY A 5 -9.396 -9.541 -9.470 1.00 0.01 H new ATOM 0 HA3 GLY A 5 -8.795 -8.254 -10.496 1.00 0.01 H new ATOM 64 N LYS A 6 -11.237 -7.902 -8.844 1.00 0.00 N ATOM 65 CA LYS A 6 -12.469 -7.128 -8.508 1.00 0.01 C ATOM 66 C LYS A 6 -12.267 -6.374 -7.193 1.00 0.01 C ATOM 67 O LYS A 6 -11.764 -6.908 -6.224 1.00 0.00 O ATOM 68 CB LYS A 6 -13.659 -8.080 -8.366 1.00 0.02 C ATOM 69 CG LYS A 6 -14.962 -7.277 -8.366 1.00 0.02 C ATOM 70 CD LYS A 6 -16.107 -8.155 -7.853 1.00 0.02 C ATOM 71 CE LYS A 6 -16.291 -9.358 -8.780 1.00 0.02 C ATOM 72 NZ LYS A 6 -17.621 -9.983 -8.527 1.00 0.02 N ATOM 0 H LYS A 6 -10.696 -8.219 -8.039 1.00 0.00 H new ATOM 0 HA LYS A 6 -12.667 -6.416 -9.309 1.00 0.01 H new ATOM 0 HB2 LYS A 6 -13.663 -8.798 -9.186 1.00 0.02 H new ATOM 0 HB3 LYS A 6 -13.572 -8.651 -7.442 1.00 0.02 H new ATOM 0 HG2 LYS A 6 -14.857 -6.394 -7.735 1.00 0.02 H new ATOM 0 HG3 LYS A 6 -15.184 -6.925 -9.373 1.00 0.02 H new ATOM 0 HD2 LYS A 6 -15.892 -8.494 -6.840 1.00 0.02 H new ATOM 0 HD3 LYS A 6 -17.029 -7.576 -7.806 1.00 0.02 H new ATOM 0 HE2 LYS A 6 -16.218 -9.043 -9.821 1.00 0.02 H new ATOM 0 HE3 LYS A 6 -15.497 -10.086 -8.611 1.00 0.02 H new ATOM 0 HZ1 LYS A 6 -17.746 -10.801 -9.157 1.00 0.02 H new ATOM 0 HZ2 LYS A 6 -17.674 -10.298 -7.537 1.00 0.02 H new ATOM 0 HZ3 LYS A 6 -18.372 -9.287 -8.710 1.00 0.02 H new ATOM 86 N ILE A 7 -12.687 -5.132 -7.154 1.00 0.02 N ATOM 87 CA ILE A 7 -12.567 -4.309 -5.908 1.00 0.00 C ATOM 88 C ILE A 7 -13.938 -3.696 -5.607 1.00 0.02 C ATOM 89 O ILE A 7 -14.638 -3.252 -6.498 1.00 0.01 O ATOM 90 CB ILE A 7 -11.499 -3.226 -6.097 1.00 0.02 C ATOM 91 CG1 ILE A 7 -11.561 -2.236 -4.930 1.00 0.02 C ATOM 92 CG2 ILE A 7 -11.728 -2.486 -7.412 1.00 0.01 C ATOM 93 CD1 ILE A 7 -10.322 -1.337 -4.954 1.00 0.02 C ATOM 0 H ILE A 7 -13.114 -4.647 -7.943 1.00 0.02 H new ATOM 0 HA ILE A 7 -12.258 -4.928 -5.066 1.00 0.00 H new ATOM 0 HB ILE A 7 -10.516 -3.696 -6.123 1.00 0.02 H new ATOM 0 HG12 ILE A 7 -12.464 -1.630 -5.001 1.00 0.02 H new ATOM 0 HG13 ILE A 7 -11.613 -2.776 -3.984 1.00 0.02 H new ATOM 0 HG21 ILE A 7 -10.964 -1.719 -7.536 1.00 0.01 H new ATOM 0 HG22 ILE A 7 -11.672 -3.191 -8.241 1.00 0.01 H new ATOM 0 HG23 ILE A 7 -12.712 -2.018 -7.400 1.00 0.01 H new ATOM 0 HD11 ILE A 7 -10.367 -0.633 -4.123 1.00 0.02 H new ATOM 0 HD12 ILE A 7 -9.426 -1.950 -4.862 1.00 0.02 H new ATOM 0 HD13 ILE A 7 -10.290 -0.787 -5.894 1.00 0.02 H new ATOM 105 N SER A 8 -14.328 -3.667 -4.354 1.00 0.02 N ATOM 106 CA SER A 8 -15.658 -3.082 -3.971 1.00 0.02 C ATOM 107 C SER A 8 -15.460 -1.938 -2.975 1.00 0.01 C ATOM 108 O SER A 8 -14.788 -2.084 -1.979 1.00 0.02 O ATOM 109 CB SER A 8 -16.538 -4.157 -3.332 1.00 0.30 C ATOM 110 OG SER A 8 -17.892 -3.727 -3.360 1.00 0.39 O ATOM 0 H SER A 8 -13.779 -4.026 -3.573 1.00 0.02 H new ATOM 0 HA SER A 8 -16.143 -2.702 -4.870 1.00 0.02 H new ATOM 0 HB2 SER A 8 -16.431 -5.099 -3.870 1.00 0.30 H new ATOM 0 HB3 SER A 8 -16.223 -4.339 -2.305 1.00 0.30 H new ATOM 0 HG SER A 8 -18.428 -4.366 -3.875 1.00 0.39 H new ATOM 116 N PHE A 9 -16.069 -0.804 -3.237 1.00 0.02 N ATOM 117 CA PHE A 9 -15.961 0.370 -2.311 1.00 0.01 C ATOM 118 C PHE A 9 -17.322 0.594 -1.631 1.00 0.01 C ATOM 119 O PHE A 9 -18.353 0.453 -2.258 1.00 0.02 O ATOM 120 CB PHE A 9 -15.593 1.629 -3.112 1.00 0.02 C ATOM 121 CG PHE A 9 -14.499 1.330 -4.114 1.00 0.01 C ATOM 122 CD1 PHE A 9 -14.781 0.562 -5.250 1.00 0.01 C ATOM 123 CD2 PHE A 9 -13.206 1.832 -3.914 1.00 0.01 C ATOM 124 CE1 PHE A 9 -13.773 0.294 -6.184 1.00 0.02 C ATOM 125 CE2 PHE A 9 -12.197 1.565 -4.848 1.00 0.02 C ATOM 126 CZ PHE A 9 -12.481 0.795 -5.983 1.00 0.02 C ATOM 0 H PHE A 9 -16.643 -0.641 -4.064 1.00 0.02 H new ATOM 0 HA PHE A 9 -15.192 0.175 -1.564 1.00 0.01 H new ATOM 0 HB2 PHE A 9 -16.474 2.005 -3.631 1.00 0.02 H new ATOM 0 HB3 PHE A 9 -15.264 2.415 -2.432 1.00 0.02 H new ATOM 0 HD1 PHE A 9 -15.777 0.176 -5.406 1.00 0.01 H new ATOM 0 HD2 PHE A 9 -12.987 2.425 -3.039 1.00 0.01 H new ATOM 0 HE1 PHE A 9 -13.992 -0.299 -7.060 1.00 0.02 H new ATOM 0 HE2 PHE A 9 -11.201 1.953 -4.693 1.00 0.02 H new ATOM 0 HZ PHE A 9 -11.703 0.588 -6.703 1.00 0.02 H new ATOM 136 N TYR A 10 -17.338 0.933 -0.358 1.00 0.02 N ATOM 137 CA TYR A 10 -18.643 1.159 0.361 1.00 0.01 C ATOM 138 C TYR A 10 -18.671 2.577 0.943 1.00 0.02 C ATOM 139 O TYR A 10 -17.681 3.071 1.444 1.00 0.01 O ATOM 140 CB TYR A 10 -18.777 0.151 1.509 1.00 0.02 C ATOM 141 CG TYR A 10 -18.442 -1.239 1.017 1.00 0.02 C ATOM 142 CD1 TYR A 10 -17.112 -1.584 0.746 1.00 0.02 C ATOM 143 CD2 TYR A 10 -19.460 -2.185 0.837 1.00 0.00 C ATOM 144 CE1 TYR A 10 -16.800 -2.873 0.296 1.00 0.02 C ATOM 145 CE2 TYR A 10 -19.147 -3.474 0.387 1.00 0.02 C ATOM 146 CZ TYR A 10 -17.817 -3.816 0.116 1.00 0.00 C ATOM 147 OH TYR A 10 -17.509 -5.087 -0.328 1.00 0.02 O ATOM 0 H TYR A 10 -16.504 1.063 0.215 1.00 0.02 H new ATOM 0 HA TYR A 10 -19.465 1.032 -0.343 1.00 0.01 H new ATOM 0 HB2 TYR A 10 -18.111 0.427 2.326 1.00 0.02 H new ATOM 0 HB3 TYR A 10 -19.792 0.171 1.905 1.00 0.02 H new ATOM 0 HD1 TYR A 10 -16.327 -0.856 0.884 1.00 0.02 H new ATOM 0 HD2 TYR A 10 -20.486 -1.920 1.045 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -15.774 -3.139 0.088 1.00 0.02 H new ATOM 0 HE2 TYR A 10 -19.931 -4.204 0.249 1.00 0.02 H new ATOM 0 HH TYR A 10 -18.330 -5.617 -0.398 1.00 0.02 H new ATOM 157 N GLU A 11 -19.791 3.253 0.851 1.00 0.00 N ATOM 158 CA GLU A 11 -19.859 4.653 1.364 1.00 0.02 C ATOM 159 C GLU A 11 -19.744 4.702 2.890 1.00 0.03 C ATOM 160 O GLU A 11 -19.290 5.690 3.434 1.00 0.03 O ATOM 161 CB GLU A 11 -21.197 5.285 0.952 1.00 0.00 C ATOM 162 CG GLU A 11 -21.167 5.649 -0.530 1.00 0.00 C ATOM 163 CD GLU A 11 -22.490 6.313 -0.917 1.00 0.02 C ATOM 164 OE1 GLU A 11 -23.275 6.587 -0.024 1.00 0.01 O ATOM 165 OE2 GLU A 11 -22.695 6.536 -2.099 1.00 0.02 O ATOM 0 H GLU A 11 -20.656 2.896 0.445 1.00 0.00 H new ATOM 0 HA GLU A 11 -19.022 5.204 0.935 1.00 0.02 H new ATOM 0 HB2 GLU A 11 -22.013 4.589 1.148 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -21.387 6.176 1.550 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -20.336 6.324 -0.733 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -21.006 4.755 -1.132 1.00 0.00 H new ATOM 172 N ASP A 12 -20.147 3.669 3.597 1.00 0.02 N ATOM 173 CA ASP A 12 -20.052 3.699 5.094 1.00 0.01 C ATOM 174 C ASP A 12 -19.054 2.651 5.585 1.00 0.02 C ATOM 175 O ASP A 12 -18.584 1.811 4.842 1.00 0.02 O ATOM 176 CB ASP A 12 -21.422 3.395 5.703 1.00 0.01 C ATOM 177 CG ASP A 12 -22.486 4.263 5.030 1.00 0.01 C ATOM 178 OD1 ASP A 12 -22.112 5.141 4.270 1.00 0.03 O ATOM 179 OD2 ASP A 12 -23.657 4.037 5.285 1.00 0.02 O ATOM 0 H ASP A 12 -20.535 2.811 3.204 1.00 0.02 H new ATOM 0 HA ASP A 12 -19.717 4.690 5.399 1.00 0.01 H new ATOM 0 HB2 ASP A 12 -21.663 2.340 5.573 1.00 0.01 H new ATOM 0 HB3 ASP A 12 -21.406 3.588 6.776 1.00 0.01 H new ATOM 184 N ARG A 13 -18.731 2.716 6.844 1.00 0.02 N ATOM 185 CA ARG A 13 -17.761 1.755 7.442 1.00 0.02 C ATOM 186 C ARG A 13 -18.432 0.396 7.649 1.00 0.00 C ATOM 187 O ARG A 13 -19.639 0.287 7.724 1.00 0.02 O ATOM 188 CB ARG A 13 -17.301 2.307 8.793 1.00 0.00 C ATOM 189 CG ARG A 13 -16.495 3.590 8.575 1.00 0.01 C ATOM 190 CD ARG A 13 -16.320 4.317 9.911 1.00 0.02 C ATOM 191 NE ARG A 13 -17.618 4.916 10.326 1.00 0.03 N ATOM 192 CZ ARG A 13 -17.787 5.325 11.553 1.00 0.02 C ATOM 193 NH1 ARG A 13 -16.816 5.212 12.417 1.00 0.02 N ATOM 194 NH2 ARG A 13 -18.926 5.849 11.916 1.00 0.02 N ATOM 0 H ARG A 13 -19.104 3.406 7.497 1.00 0.02 H new ATOM 0 HA ARG A 13 -16.908 1.628 6.775 1.00 0.02 H new ATOM 0 HB2 ARG A 13 -18.164 2.511 9.427 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -16.692 1.567 9.312 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -15.521 3.352 8.148 1.00 0.01 H new ATOM 0 HG3 ARG A 13 -17.006 4.236 7.861 1.00 0.01 H new ATOM 0 HD2 ARG A 13 -15.969 3.621 10.673 1.00 0.02 H new ATOM 0 HD3 ARG A 13 -15.562 5.095 9.817 1.00 0.02 H new ATOM 0 HE ARG A 13 -18.376 5.007 9.650 1.00 0.03 H new ATOM 0 HH11 ARG A 13 -15.925 4.804 12.133 1.00 0.02 H new ATOM 0 HH12 ARG A 13 -16.947 5.532 13.377 1.00 0.02 H new ATOM 0 HH21 ARG A 13 -19.685 5.939 11.240 1.00 0.02 H new ATOM 0 HH22 ARG A 13 -19.058 6.169 12.876 1.00 0.02 H new ATOM 208 N ASN A 14 -17.638 -0.638 7.755 1.00 0.02 N ATOM 209 CA ASN A 14 -18.180 -2.012 7.977 1.00 0.02 C ATOM 210 C ASN A 14 -18.986 -2.488 6.760 1.00 0.02 C ATOM 211 O ASN A 14 -19.929 -3.245 6.870 1.00 0.02 O ATOM 212 CB ASN A 14 -19.055 -2.007 9.238 1.00 0.26 C ATOM 213 CG ASN A 14 -19.183 -3.429 9.789 1.00 0.12 C ATOM 214 OD1 ASN A 14 -18.951 -4.391 9.084 1.00 0.74 O ATOM 215 ND2 ASN A 14 -19.542 -3.603 11.031 1.00 0.46 N ATOM 0 H ASN A 14 -16.621 -0.587 7.696 1.00 0.02 H new ATOM 0 HA ASN A 14 -17.351 -2.706 8.113 1.00 0.02 H new ATOM 0 HB2 ASN A 14 -18.617 -1.353 9.992 1.00 0.26 H new ATOM 0 HB3 ASN A 14 -20.042 -1.608 9.005 1.00 0.26 H new ATOM 0 HD21 ASN A 14 -19.628 -4.546 11.410 1.00 0.46 H new ATOM 0 HD22 ASN A 14 -19.737 -2.796 11.623 1.00 0.46 H new ATOM 222 N PHE A 15 -18.572 -2.063 5.595 1.00 0.02 N ATOM 223 CA PHE A 15 -19.243 -2.491 4.328 1.00 0.02 C ATOM 224 C PHE A 15 -20.744 -2.186 4.360 1.00 0.00 C ATOM 225 O PHE A 15 -21.557 -2.971 3.916 1.00 0.02 O ATOM 226 CB PHE A 15 -19.030 -4.004 4.138 1.00 0.02 C ATOM 227 CG PHE A 15 -17.682 -4.399 4.696 1.00 0.02 C ATOM 228 CD1 PHE A 15 -16.516 -4.134 3.968 1.00 0.02 C ATOM 229 CD2 PHE A 15 -17.599 -5.028 5.945 1.00 0.02 C ATOM 230 CE1 PHE A 15 -15.267 -4.497 4.488 1.00 0.02 C ATOM 231 CE2 PHE A 15 -16.351 -5.390 6.465 1.00 0.02 C ATOM 232 CZ PHE A 15 -15.186 -5.125 5.737 1.00 0.02 C ATOM 0 H PHE A 15 -17.785 -1.427 5.464 1.00 0.02 H new ATOM 0 HA PHE A 15 -18.805 -1.936 3.498 1.00 0.02 H new ATOM 0 HB2 PHE A 15 -19.821 -4.559 4.642 1.00 0.02 H new ATOM 0 HB3 PHE A 15 -19.086 -4.260 3.080 1.00 0.02 H new ATOM 0 HD1 PHE A 15 -16.579 -3.649 3.005 1.00 0.02 H new ATOM 0 HD2 PHE A 15 -18.498 -5.234 6.507 1.00 0.02 H new ATOM 0 HE1 PHE A 15 -14.367 -4.293 3.926 1.00 0.02 H new ATOM 0 HE2 PHE A 15 -16.287 -5.874 7.428 1.00 0.02 H new ATOM 0 HZ PHE A 15 -14.223 -5.405 6.139 1.00 0.02 H new ATOM 242 N GLN A 16 -21.107 -1.036 4.865 1.00 0.02 N ATOM 243 CA GLN A 16 -22.547 -0.634 4.918 1.00 0.02 C ATOM 244 C GLN A 16 -22.751 0.552 3.971 1.00 0.02 C ATOM 245 O GLN A 16 -21.799 1.167 3.526 1.00 0.02 O ATOM 246 CB GLN A 16 -22.901 -0.208 6.347 1.00 0.02 C ATOM 247 CG GLN A 16 -23.093 -1.451 7.219 1.00 0.00 C ATOM 248 CD GLN A 16 -24.420 -2.122 6.862 1.00 0.00 C ATOM 249 OE1 GLN A 16 -25.474 -1.653 7.243 1.00 0.02 O ATOM 250 NE2 GLN A 16 -24.413 -3.210 6.141 1.00 0.02 N ATOM 0 H GLN A 16 -20.459 -0.348 5.249 1.00 0.02 H new ATOM 0 HA GLN A 16 -23.184 -1.468 4.622 1.00 0.02 H new ATOM 0 HB2 GLN A 16 -22.109 0.418 6.758 1.00 0.02 H new ATOM 0 HB3 GLN A 16 -23.812 0.391 6.344 1.00 0.02 H new ATOM 0 HG2 GLN A 16 -22.268 -2.147 7.066 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -23.085 -1.174 8.273 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -23.528 -3.604 5.821 1.00 0.02 H new ATOM 0 HE22 GLN A 16 -25.292 -3.666 5.898 1.00 0.02 H new ATOM 259 N GLY A 17 -23.974 0.888 3.654 1.00 0.03 N ATOM 260 CA GLY A 17 -24.214 2.043 2.739 1.00 0.03 C ATOM 261 C GLY A 17 -24.219 1.585 1.276 1.00 0.02 C ATOM 262 O GLY A 17 -24.247 0.407 0.980 1.00 0.02 O ATOM 0 H GLY A 17 -24.814 0.415 3.987 1.00 0.03 H new ATOM 0 HA2 GLY A 17 -25.167 2.513 2.981 1.00 0.03 H new ATOM 0 HA3 GLY A 17 -23.441 2.797 2.886 1.00 0.03 H new ATOM 266 N ARG A 18 -24.178 2.517 0.362 1.00 0.00 N ATOM 267 CA ARG A 18 -24.164 2.161 -1.087 1.00 0.02 C ATOM 268 C ARG A 18 -22.830 1.498 -1.427 1.00 0.02 C ATOM 269 O ARG A 18 -21.795 1.850 -0.892 1.00 0.02 O ATOM 270 CB ARG A 18 -24.331 3.436 -1.916 1.00 0.79 C ATOM 271 CG ARG A 18 -24.490 3.072 -3.395 1.00 1.49 C ATOM 272 CD ARG A 18 -25.031 4.280 -4.163 1.00 1.42 C ATOM 273 NE ARG A 18 -24.313 5.511 -3.727 1.00 2.07 N ATOM 274 CZ ARG A 18 -24.385 6.598 -4.445 1.00 2.35 C ATOM 275 NH1 ARG A 18 -25.089 6.607 -5.545 1.00 2.53 N ATOM 276 NH2 ARG A 18 -23.757 7.677 -4.065 1.00 2.76 N ATOM 0 H ARG A 18 -24.153 3.518 0.559 1.00 0.00 H new ATOM 0 HA ARG A 18 -24.979 1.472 -1.310 1.00 0.02 H new ATOM 0 HB2 ARG A 18 -25.203 3.993 -1.573 1.00 0.79 H new ATOM 0 HB3 ARG A 18 -23.465 4.085 -1.782 1.00 0.79 H new ATOM 0 HG2 ARG A 18 -23.530 2.764 -3.810 1.00 1.49 H new ATOM 0 HG3 ARG A 18 -25.169 2.226 -3.501 1.00 1.49 H new ATOM 0 HD2 ARG A 18 -24.900 4.131 -5.235 1.00 1.42 H new ATOM 0 HD3 ARG A 18 -26.101 4.388 -3.984 1.00 1.42 H new ATOM 0 HE ARG A 18 -23.765 5.504 -2.867 1.00 2.07 H new ATOM 0 HH11 ARG A 18 -25.582 5.765 -5.842 1.00 2.53 H new ATOM 0 HH12 ARG A 18 -25.146 7.456 -6.107 1.00 2.53 H new ATOM 0 HH21 ARG A 18 -23.208 7.672 -3.205 1.00 2.76 H new ATOM 0 HH22 ARG A 18 -23.815 8.526 -4.628 1.00 2.76 H new ATOM 290 N ARG A 19 -22.852 0.518 -2.301 1.00 0.02 N ATOM 291 CA ARG A 19 -21.599 -0.209 -2.678 1.00 0.02 C ATOM 292 C ARG A 19 -21.348 -0.084 -4.184 1.00 0.02 C ATOM 293 O ARG A 19 -22.263 -0.010 -4.977 1.00 0.02 O ATOM 294 CB ARG A 19 -21.776 -1.690 -2.330 1.00 0.85 C ATOM 295 CG ARG A 19 -20.449 -2.437 -2.508 1.00 1.31 C ATOM 296 CD ARG A 19 -20.684 -3.946 -2.360 1.00 1.34 C ATOM 297 NE ARG A 19 -21.211 -4.492 -3.642 1.00 1.50 N ATOM 298 CZ ARG A 19 -21.203 -5.780 -3.855 1.00 1.63 C ATOM 299 NH1 ARG A 19 -20.731 -6.589 -2.946 1.00 1.72 N ATOM 300 NH2 ARG A 19 -21.666 -6.260 -4.978 1.00 1.89 N ATOM 0 H ARG A 19 -23.694 0.189 -2.773 1.00 0.02 H new ATOM 0 HA ARG A 19 -20.754 0.219 -2.138 1.00 0.02 H new ATOM 0 HB2 ARG A 19 -22.123 -1.791 -1.302 1.00 0.85 H new ATOM 0 HB3 ARG A 19 -22.540 -2.133 -2.969 1.00 0.85 H new ATOM 0 HG2 ARG A 19 -20.026 -2.219 -3.489 1.00 1.31 H new ATOM 0 HG3 ARG A 19 -19.726 -2.097 -1.766 1.00 1.31 H new ATOM 0 HD2 ARG A 19 -19.753 -4.446 -2.094 1.00 1.34 H new ATOM 0 HD3 ARG A 19 -21.390 -4.138 -1.552 1.00 1.34 H new ATOM 0 HE ARG A 19 -21.578 -3.860 -4.353 1.00 1.50 H new ATOM 0 HH11 ARG A 19 -20.368 -6.215 -2.069 1.00 1.72 H new ATOM 0 HH12 ARG A 19 -20.725 -7.595 -3.113 1.00 1.72 H new ATOM 0 HH21 ARG A 19 -22.034 -5.628 -5.689 1.00 1.89 H new ATOM 0 HH22 ARG A 19 -21.659 -7.266 -5.144 1.00 1.89 H new ATOM 314 N TYR A 20 -20.099 -0.083 -4.572 1.00 0.02 N ATOM 315 CA TYR A 20 -19.736 0.010 -6.021 1.00 0.02 C ATOM 316 C TYR A 20 -18.685 -1.059 -6.323 1.00 0.02 C ATOM 317 O TYR A 20 -17.687 -1.157 -5.644 1.00 0.02 O ATOM 318 CB TYR A 20 -19.164 1.399 -6.323 1.00 0.02 C ATOM 319 CG TYR A 20 -18.634 1.434 -7.742 1.00 0.01 C ATOM 320 CD1 TYR A 20 -19.506 1.231 -8.819 1.00 0.02 C ATOM 321 CD2 TYR A 20 -17.273 1.672 -7.982 1.00 0.01 C ATOM 322 CE1 TYR A 20 -19.020 1.264 -10.131 1.00 0.02 C ATOM 323 CE2 TYR A 20 -16.787 1.705 -9.294 1.00 0.02 C ATOM 324 CZ TYR A 20 -17.660 1.501 -10.369 1.00 0.02 C ATOM 325 OH TYR A 20 -17.182 1.535 -11.662 1.00 0.01 O ATOM 0 H TYR A 20 -19.302 -0.144 -3.938 1.00 0.02 H new ATOM 0 HA TYR A 20 -20.619 -0.147 -6.640 1.00 0.02 H new ATOM 0 HB2 TYR A 20 -19.936 2.157 -6.194 1.00 0.02 H new ATOM 0 HB3 TYR A 20 -18.365 1.635 -5.620 1.00 0.02 H new ATOM 0 HD1 TYR A 20 -20.555 1.049 -8.637 1.00 0.02 H new ATOM 0 HD2 TYR A 20 -16.599 1.830 -7.153 1.00 0.01 H new ATOM 0 HE1 TYR A 20 -19.694 1.107 -10.960 1.00 0.02 H new ATOM 0 HE2 TYR A 20 -15.738 1.888 -9.477 1.00 0.02 H new ATOM 0 HH TYR A 20 -16.218 1.712 -11.650 1.00 0.01 H new ATOM 335 N ASP A 21 -18.911 -1.872 -7.327 1.00 0.01 N ATOM 336 CA ASP A 21 -17.940 -2.960 -7.677 1.00 0.02 C ATOM 337 C ASP A 21 -17.287 -2.657 -9.028 1.00 0.00 C ATOM 338 O ASP A 21 -17.941 -2.249 -9.969 1.00 0.01 O ATOM 339 CB ASP A 21 -18.699 -4.286 -7.768 1.00 0.12 C ATOM 340 CG ASP A 21 -19.770 -4.190 -8.856 1.00 0.41 C ATOM 341 OD1 ASP A 21 -20.460 -3.185 -8.891 1.00 0.56 O ATOM 342 OD2 ASP A 21 -19.882 -5.123 -9.632 1.00 1.12 O ATOM 0 H ASP A 21 -19.735 -1.828 -7.926 1.00 0.01 H new ATOM 0 HA ASP A 21 -17.166 -3.022 -6.912 1.00 0.02 H new ATOM 0 HB2 ASP A 21 -18.008 -5.098 -7.995 1.00 0.12 H new ATOM 0 HB3 ASP A 21 -19.161 -4.519 -6.809 1.00 0.12 H new ATOM 347 N CYS A 22 -15.992 -2.853 -9.122 1.00 0.01 N ATOM 348 CA CYS A 22 -15.264 -2.577 -10.402 1.00 0.00 C ATOM 349 C CYS A 22 -14.377 -3.774 -10.757 1.00 0.02 C ATOM 350 O CYS A 22 -13.743 -4.368 -9.906 1.00 0.01 O ATOM 351 CB CYS A 22 -14.405 -1.322 -10.229 1.00 0.00 C ATOM 352 SG CYS A 22 -13.881 -0.723 -11.855 1.00 0.02 S ATOM 0 H CYS A 22 -15.405 -3.195 -8.361 1.00 0.01 H new ATOM 0 HA CYS A 22 -15.981 -2.417 -11.208 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -14.971 -0.549 -9.710 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -13.534 -1.546 -9.614 1.00 0.00 H new ATOM 0 HG CYS A 22 -12.643 -1.060 -12.063 1.00 0.02 H new ATOM 358 N ASP A 23 -14.338 -4.130 -12.019 1.00 0.01 N ATOM 359 CA ASP A 23 -13.507 -5.293 -12.470 1.00 0.02 C ATOM 360 C ASP A 23 -12.412 -4.805 -13.422 1.00 0.00 C ATOM 361 O ASP A 23 -11.745 -5.588 -14.068 1.00 0.02 O ATOM 362 CB ASP A 23 -14.403 -6.296 -13.201 1.00 0.16 C ATOM 363 CG ASP A 23 -15.098 -5.599 -14.372 1.00 0.17 C ATOM 364 OD1 ASP A 23 -14.408 -4.958 -15.147 1.00 0.20 O ATOM 365 OD2 ASP A 23 -16.308 -5.718 -14.475 1.00 0.17 O ATOM 0 H ASP A 23 -14.852 -3.660 -12.764 1.00 0.01 H new ATOM 0 HA ASP A 23 -13.047 -5.769 -11.604 1.00 0.02 H new ATOM 0 HB2 ASP A 23 -13.808 -7.134 -13.564 1.00 0.16 H new ATOM 0 HB3 ASP A 23 -15.145 -6.705 -12.515 1.00 0.16 H new ATOM 370 N CYS A 24 -12.210 -3.518 -13.504 1.00 0.01 N ATOM 371 CA CYS A 24 -11.148 -2.980 -14.399 1.00 0.01 C ATOM 372 C CYS A 24 -10.776 -1.577 -13.916 1.00 0.01 C ATOM 373 O CYS A 24 -11.389 -1.050 -13.007 1.00 0.01 O ATOM 374 CB CYS A 24 -11.667 -2.914 -15.836 1.00 0.62 C ATOM 375 SG CYS A 24 -13.284 -2.100 -15.857 1.00 1.23 S ATOM 0 H CYS A 24 -12.737 -2.814 -12.987 1.00 0.01 H new ATOM 0 HA CYS A 24 -10.272 -3.628 -14.374 1.00 0.01 H new ATOM 0 HB2 CYS A 24 -10.964 -2.366 -16.463 1.00 0.62 H new ATOM 0 HB3 CYS A 24 -11.748 -3.919 -16.251 1.00 0.62 H new ATOM 0 HG CYS A 24 -14.209 -2.966 -15.567 1.00 1.23 H new ATOM 381 N ASP A 25 -9.783 -0.958 -14.496 1.00 0.02 N ATOM 382 CA ASP A 25 -9.396 0.407 -14.042 1.00 0.01 C ATOM 383 C ASP A 25 -10.572 1.368 -14.224 1.00 0.02 C ATOM 384 O ASP A 25 -11.321 1.269 -15.175 1.00 0.00 O ATOM 385 CB ASP A 25 -8.217 0.901 -14.884 1.00 0.01 C ATOM 386 CG ASP A 25 -8.542 0.722 -16.368 1.00 0.01 C ATOM 387 OD1 ASP A 25 -9.179 1.600 -16.925 1.00 0.01 O ATOM 388 OD2 ASP A 25 -8.151 -0.293 -16.922 1.00 0.01 O ATOM 0 H ASP A 25 -9.226 -1.337 -15.261 1.00 0.02 H new ATOM 0 HA ASP A 25 -9.117 0.369 -12.989 1.00 0.01 H new ATOM 0 HB2 ASP A 25 -8.016 1.950 -14.668 1.00 0.01 H new ATOM 0 HB3 ASP A 25 -7.315 0.345 -14.628 1.00 0.01 H new ATOM 393 N CYS A 26 -10.725 2.311 -13.326 1.00 0.01 N ATOM 394 CA CYS A 26 -11.839 3.307 -13.442 1.00 0.01 C ATOM 395 C CYS A 26 -11.266 4.709 -13.236 1.00 0.01 C ATOM 396 O CYS A 26 -10.710 5.019 -12.202 1.00 0.01 O ATOM 397 CB CYS A 26 -12.909 3.025 -12.384 1.00 0.01 C ATOM 398 SG CYS A 26 -14.336 4.101 -12.670 1.00 0.02 S ATOM 0 H CYS A 26 -10.123 2.435 -12.512 1.00 0.01 H new ATOM 0 HA CYS A 26 -12.297 3.232 -14.428 1.00 0.01 H new ATOM 0 HB2 CYS A 26 -13.213 1.979 -12.429 1.00 0.01 H new ATOM 0 HB3 CYS A 26 -12.504 3.197 -11.387 1.00 0.01 H new ATOM 0 HG CYS A 26 -15.324 3.721 -11.915 1.00 0.02 H new ATOM 404 N ALA A 27 -11.359 5.549 -14.232 1.00 0.01 N ATOM 405 CA ALA A 27 -10.781 6.915 -14.105 1.00 0.01 C ATOM 406 C ALA A 27 -11.688 7.815 -13.265 1.00 0.01 C ATOM 407 O ALA A 27 -11.242 8.772 -12.666 1.00 0.02 O ATOM 408 CB ALA A 27 -10.604 7.523 -15.497 1.00 0.24 C ATOM 0 H ALA A 27 -11.809 5.348 -15.125 1.00 0.01 H new ATOM 0 HA ALA A 27 -9.815 6.838 -13.607 1.00 0.01 H new ATOM 0 HB1 ALA A 27 -10.181 8.523 -15.406 1.00 0.24 H new ATOM 0 HB2 ALA A 27 -9.933 6.897 -16.085 1.00 0.24 H new ATOM 0 HB3 ALA A 27 -11.572 7.583 -15.994 1.00 0.24 H new ATOM 414 N ASP A 28 -12.961 7.524 -13.215 1.00 0.01 N ATOM 415 CA ASP A 28 -13.892 8.372 -12.410 1.00 0.02 C ATOM 416 C ASP A 28 -15.099 7.531 -11.984 1.00 0.01 C ATOM 417 O ASP A 28 -15.997 7.273 -12.761 1.00 0.02 O ATOM 418 CB ASP A 28 -14.364 9.557 -13.257 1.00 0.67 C ATOM 419 CG ASP A 28 -14.962 9.043 -14.568 1.00 0.90 C ATOM 420 OD1 ASP A 28 -14.223 8.455 -15.341 1.00 0.87 O ATOM 421 OD2 ASP A 28 -16.148 9.244 -14.775 1.00 1.14 O ATOM 0 H ASP A 28 -13.397 6.737 -13.696 1.00 0.01 H new ATOM 0 HA ASP A 28 -13.377 8.745 -11.525 1.00 0.02 H new ATOM 0 HB2 ASP A 28 -15.107 10.136 -12.709 1.00 0.67 H new ATOM 0 HB3 ASP A 28 -13.528 10.225 -13.464 1.00 0.67 H new ATOM 426 N PHE A 29 -15.123 7.109 -10.745 1.00 0.02 N ATOM 427 CA PHE A 29 -16.262 6.284 -10.228 1.00 0.02 C ATOM 428 C PHE A 29 -17.193 7.161 -9.385 1.00 0.00 C ATOM 429 O PHE A 29 -18.076 6.689 -8.693 1.00 0.02 O ATOM 430 CB PHE A 29 -15.715 5.125 -9.385 1.00 2.87 C ATOM 431 CG PHE A 29 -15.140 5.648 -8.090 1.00 3.99 C ATOM 432 CD1 PHE A 29 -13.830 6.139 -8.052 1.00 4.68 C ATOM 433 CD2 PHE A 29 -15.916 5.633 -6.926 1.00 4.52 C ATOM 434 CE1 PHE A 29 -13.297 6.616 -6.849 1.00 5.85 C ATOM 435 CE2 PHE A 29 -15.384 6.112 -5.724 1.00 5.75 C ATOM 436 CZ PHE A 29 -14.076 6.602 -5.686 1.00 6.37 C ATOM 0 H PHE A 29 -14.393 7.303 -10.059 1.00 0.02 H new ATOM 0 HA PHE A 29 -16.827 5.876 -11.066 1.00 0.02 H new ATOM 0 HB2 PHE A 29 -16.511 4.411 -9.176 1.00 2.87 H new ATOM 0 HB3 PHE A 29 -14.946 4.591 -9.943 1.00 2.87 H new ATOM 0 HD1 PHE A 29 -13.231 6.150 -8.950 1.00 4.68 H new ATOM 0 HD2 PHE A 29 -16.926 5.252 -6.955 1.00 4.52 H new ATOM 0 HE1 PHE A 29 -12.286 6.994 -6.818 1.00 5.85 H new ATOM 0 HE2 PHE A 29 -15.984 6.103 -4.826 1.00 5.75 H new ATOM 0 HZ PHE A 29 -13.665 6.971 -4.758 1.00 6.37 H new ATOM 446 N ARG A 30 -16.966 8.445 -9.419 1.00 0.01 N ATOM 447 CA ARG A 30 -17.791 9.388 -8.615 1.00 0.00 C ATOM 448 C ARG A 30 -19.272 9.300 -8.998 1.00 0.01 C ATOM 449 O ARG A 30 -20.135 9.637 -8.211 1.00 0.02 O ATOM 450 CB ARG A 30 -17.299 10.817 -8.850 1.00 0.32 C ATOM 451 CG ARG A 30 -15.779 10.865 -8.689 1.00 0.86 C ATOM 452 CD ARG A 30 -15.315 12.322 -8.645 1.00 1.62 C ATOM 453 NE ARG A 30 -15.735 13.018 -9.894 1.00 2.25 N ATOM 454 CZ ARG A 30 -15.714 14.321 -9.953 1.00 2.70 C ATOM 455 NH1 ARG A 30 -15.321 15.012 -8.919 1.00 3.11 N ATOM 456 NH2 ARG A 30 -16.083 14.934 -11.045 1.00 3.02 N ATOM 0 H ARG A 30 -16.235 8.886 -9.977 1.00 0.01 H new ATOM 0 HA ARG A 30 -17.690 9.117 -7.564 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -17.580 11.150 -9.849 1.00 0.32 H new ATOM 0 HB3 ARG A 30 -17.772 11.497 -8.142 1.00 0.32 H new ATOM 0 HG2 ARG A 30 -15.483 10.351 -7.775 1.00 0.86 H new ATOM 0 HG3 ARG A 30 -15.299 10.344 -9.517 1.00 0.86 H new ATOM 0 HD2 ARG A 30 -15.741 12.824 -7.776 1.00 1.62 H new ATOM 0 HD3 ARG A 30 -14.231 12.366 -8.539 1.00 1.62 H new ATOM 0 HE ARG A 30 -16.039 12.476 -10.703 1.00 2.25 H new ATOM 0 HH11 ARG A 30 -15.031 14.533 -8.066 1.00 3.11 H new ATOM 0 HH12 ARG A 30 -15.304 16.031 -8.963 1.00 3.11 H new ATOM 0 HH21 ARG A 30 -16.389 14.394 -11.855 1.00 3.02 H new ATOM 0 HH22 ARG A 30 -16.066 15.953 -11.089 1.00 3.02 H new ATOM 470 N SER A 31 -19.592 8.881 -10.195 1.00 0.02 N ATOM 471 CA SER A 31 -21.028 8.814 -10.599 1.00 0.02 C ATOM 472 C SER A 31 -21.711 7.603 -9.960 1.00 0.01 C ATOM 473 O SER A 31 -22.922 7.521 -9.907 1.00 0.02 O ATOM 474 CB SER A 31 -21.117 8.697 -12.120 1.00 0.37 C ATOM 475 OG SER A 31 -22.406 8.214 -12.479 1.00 0.88 O ATOM 0 H SER A 31 -18.925 8.584 -10.907 1.00 0.02 H new ATOM 0 HA SER A 31 -21.531 9.720 -10.261 1.00 0.02 H new ATOM 0 HB2 SER A 31 -20.938 9.668 -12.582 1.00 0.37 H new ATOM 0 HB3 SER A 31 -20.346 8.021 -12.490 1.00 0.37 H new ATOM 0 HG SER A 31 -22.467 8.139 -13.454 1.00 0.88 H new ATOM 481 N TYR A 32 -20.943 6.653 -9.491 1.00 0.01 N ATOM 482 CA TYR A 32 -21.540 5.428 -8.871 1.00 0.01 C ATOM 483 C TYR A 32 -21.410 5.511 -7.352 1.00 0.02 C ATOM 484 O TYR A 32 -22.128 4.859 -6.621 1.00 0.02 O ATOM 485 CB TYR A 32 -20.781 4.198 -9.373 1.00 0.02 C ATOM 486 CG TYR A 32 -21.154 3.929 -10.812 1.00 0.02 C ATOM 487 CD1 TYR A 32 -20.506 4.617 -11.845 1.00 0.01 C ATOM 488 CD2 TYR A 32 -22.148 2.990 -11.113 1.00 0.01 C ATOM 489 CE1 TYR A 32 -20.853 4.367 -13.178 1.00 0.02 C ATOM 490 CE2 TYR A 32 -22.495 2.739 -12.446 1.00 0.00 C ATOM 491 CZ TYR A 32 -21.847 3.428 -13.478 1.00 0.02 C ATOM 492 OH TYR A 32 -22.188 3.181 -14.793 1.00 0.02 O ATOM 0 H TYR A 32 -19.923 6.672 -9.510 1.00 0.01 H new ATOM 0 HA TYR A 32 -22.593 5.354 -9.143 1.00 0.01 H new ATOM 0 HB2 TYR A 32 -19.707 4.361 -9.289 1.00 0.02 H new ATOM 0 HB3 TYR A 32 -21.021 3.332 -8.756 1.00 0.02 H new ATOM 0 HD1 TYR A 32 -19.738 5.341 -11.613 1.00 0.01 H new ATOM 0 HD2 TYR A 32 -22.647 2.459 -10.316 1.00 0.01 H new ATOM 0 HE1 TYR A 32 -20.354 4.898 -13.975 1.00 0.02 H new ATOM 0 HE2 TYR A 32 -23.262 2.015 -12.678 1.00 0.00 H new ATOM 0 HH TYR A 32 -22.894 2.502 -14.826 1.00 0.02 H new ATOM 502 N LEU A 33 -20.490 6.299 -6.868 1.00 0.02 N ATOM 503 CA LEU A 33 -20.301 6.416 -5.391 1.00 0.02 C ATOM 504 C LEU A 33 -19.771 7.821 -5.064 1.00 0.02 C ATOM 505 O LEU A 33 -18.825 8.300 -5.654 1.00 0.02 O ATOM 506 CB LEU A 33 -19.275 5.353 -4.946 1.00 1.66 C ATOM 507 CG LEU A 33 -19.635 4.801 -3.551 1.00 2.38 C ATOM 508 CD1 LEU A 33 -20.968 4.014 -3.605 1.00 3.32 C ATOM 509 CD2 LEU A 33 -18.510 3.875 -3.068 1.00 2.80 C ATOM 0 H LEU A 33 -19.859 6.869 -7.431 1.00 0.02 H new ATOM 0 HA LEU A 33 -21.245 6.259 -4.870 1.00 0.02 H new ATOM 0 HB2 LEU A 33 -19.250 4.539 -5.670 1.00 1.66 H new ATOM 0 HB3 LEU A 33 -18.277 5.790 -4.924 1.00 1.66 H new ATOM 0 HG LEU A 33 -19.752 5.635 -2.860 1.00 2.38 H new ATOM 0 HD11 LEU A 33 -21.206 3.632 -2.612 1.00 3.32 H new ATOM 0 HD12 LEU A 33 -21.767 4.675 -3.941 1.00 3.32 H new ATOM 0 HD13 LEU A 33 -20.870 3.180 -4.300 1.00 3.32 H new ATOM 0 HD21 LEU A 33 -18.760 3.482 -2.082 1.00 2.80 H new ATOM 0 HD22 LEU A 33 -18.393 3.048 -3.769 1.00 2.80 H new ATOM 0 HD23 LEU A 33 -17.577 4.436 -3.009 1.00 2.80 H new ATOM 521 N SER A 34 -20.410 8.482 -4.135 1.00 0.02 N ATOM 522 CA SER A 34 -19.994 9.867 -3.761 1.00 0.02 C ATOM 523 C SER A 34 -18.871 9.844 -2.718 1.00 0.00 C ATOM 524 O SER A 34 -18.271 10.859 -2.425 1.00 0.01 O ATOM 525 CB SER A 34 -21.201 10.608 -3.185 1.00 0.02 C ATOM 526 OG SER A 34 -21.826 9.794 -2.202 1.00 0.02 O ATOM 0 H SER A 34 -21.209 8.119 -3.615 1.00 0.02 H new ATOM 0 HA SER A 34 -19.623 10.373 -4.653 1.00 0.02 H new ATOM 0 HB2 SER A 34 -20.885 11.553 -2.744 1.00 0.02 H new ATOM 0 HB3 SER A 34 -21.908 10.847 -3.979 1.00 0.02 H new ATOM 0 HG SER A 34 -22.599 10.267 -1.829 1.00 0.02 H new ATOM 532 N ARG A 35 -18.577 8.703 -2.156 1.00 0.02 N ATOM 533 CA ARG A 35 -17.492 8.618 -1.135 1.00 0.01 C ATOM 534 C ARG A 35 -17.239 7.140 -0.836 1.00 0.02 C ATOM 535 O ARG A 35 -18.058 6.294 -1.132 1.00 0.02 O ATOM 536 CB ARG A 35 -17.929 9.331 0.146 1.00 0.02 C ATOM 537 CG ARG A 35 -16.828 9.210 1.201 1.00 0.02 C ATOM 538 CD ARG A 35 -17.090 10.211 2.329 1.00 0.02 C ATOM 539 NE ARG A 35 -18.539 10.197 2.679 1.00 0.02 N ATOM 540 CZ ARG A 35 -18.947 10.741 3.793 1.00 0.02 C ATOM 541 NH1 ARG A 35 -18.085 11.293 4.603 1.00 0.00 N ATOM 542 NH2 ARG A 35 -20.216 10.732 4.099 1.00 0.02 N ATOM 0 H ARG A 35 -19.045 7.820 -2.361 1.00 0.02 H new ATOM 0 HA ARG A 35 -16.585 9.093 -1.508 1.00 0.01 H new ATOM 0 HB2 ARG A 35 -18.134 10.381 -0.062 1.00 0.02 H new ATOM 0 HB3 ARG A 35 -18.855 8.894 0.520 1.00 0.02 H new ATOM 0 HG2 ARG A 35 -16.801 8.196 1.599 1.00 0.02 H new ATOM 0 HG3 ARG A 35 -15.854 9.401 0.750 1.00 0.02 H new ATOM 0 HD2 ARG A 35 -16.491 9.955 3.203 1.00 0.02 H new ATOM 0 HD3 ARG A 35 -16.789 11.212 2.019 1.00 0.02 H new ATOM 0 HE ARG A 35 -19.212 9.762 2.048 1.00 0.02 H new ATOM 0 HH11 ARG A 35 -17.093 11.299 4.365 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -18.403 11.718 5.474 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -20.890 10.299 3.467 1.00 0.02 H new ATOM 0 HH22 ARG A 35 -20.534 11.157 4.970 1.00 0.02 H new ATOM 556 N CYS A 36 -16.118 6.808 -0.249 1.00 0.02 N ATOM 557 CA CYS A 36 -15.821 5.379 0.072 1.00 0.02 C ATOM 558 C CYS A 36 -15.062 5.320 1.401 1.00 0.02 C ATOM 559 O CYS A 36 -13.965 5.834 1.497 1.00 0.02 O ATOM 560 CB CYS A 36 -14.954 4.787 -1.036 1.00 0.02 C ATOM 561 SG CYS A 36 -13.590 5.920 -1.398 1.00 0.02 S ATOM 0 H CYS A 36 -15.391 7.469 0.024 1.00 0.02 H new ATOM 0 HA CYS A 36 -16.748 4.811 0.150 1.00 0.02 H new ATOM 0 HB2 CYS A 36 -14.564 3.817 -0.729 1.00 0.02 H new ATOM 0 HB3 CYS A 36 -15.552 4.621 -1.932 1.00 0.02 H new ATOM 0 HG CYS A 36 -13.098 6.376 -0.285 1.00 0.02 H new ATOM 567 N ASN A 37 -15.625 4.733 2.435 1.00 0.02 N ATOM 568 CA ASN A 37 -14.911 4.695 3.758 1.00 0.01 C ATOM 569 C ASN A 37 -14.411 3.283 4.070 1.00 0.02 C ATOM 570 O ASN A 37 -13.799 3.033 5.091 1.00 0.02 O ATOM 571 CB ASN A 37 -15.863 5.142 4.870 1.00 0.02 C ATOM 572 CG ASN A 37 -16.333 6.573 4.597 1.00 0.01 C ATOM 573 OD1 ASN A 37 -15.799 7.246 3.615 1.00 0.03 O flip ATOM 574 ND2 ASN A 37 -17.196 7.082 5.283 1.00 0.02 N flip ATOM 0 H ASN A 37 -16.540 4.282 2.422 1.00 0.02 H new ATOM 0 HA ASN A 37 -14.055 5.368 3.702 1.00 0.01 H new ATOM 0 HB2 ASN A 37 -16.720 4.470 4.921 1.00 0.02 H new ATOM 0 HB3 ASN A 37 -15.360 5.091 5.836 1.00 0.02 H new ATOM 0 HD21 ASN A 37 -17.614 6.556 6.051 1.00 0.02 H new ATOM 0 HD22 ASN A 37 -17.503 8.036 5.092 1.00 0.02 H new ATOM 581 N SER A 38 -14.634 2.367 3.168 1.00 0.02 N ATOM 582 CA SER A 38 -14.157 0.970 3.358 1.00 0.02 C ATOM 583 C SER A 38 -13.995 0.344 1.974 1.00 0.01 C ATOM 584 O SER A 38 -14.626 0.759 1.023 1.00 0.02 O ATOM 585 CB SER A 38 -15.161 0.164 4.184 1.00 0.01 C ATOM 586 OG SER A 38 -14.671 -1.159 4.353 1.00 0.02 O ATOM 0 H SER A 38 -15.134 2.531 2.294 1.00 0.02 H new ATOM 0 HA SER A 38 -13.209 0.968 3.896 1.00 0.02 H new ATOM 0 HB2 SER A 38 -15.313 0.635 5.155 1.00 0.01 H new ATOM 0 HB3 SER A 38 -16.129 0.145 3.684 1.00 0.01 H new ATOM 0 HG SER A 38 -13.695 -1.160 4.265 1.00 0.02 H new ATOM 592 N ILE A 39 -13.140 -0.638 1.840 1.00 0.02 N ATOM 593 CA ILE A 39 -12.924 -1.265 0.497 1.00 0.02 C ATOM 594 C ILE A 39 -12.654 -2.765 0.655 1.00 0.02 C ATOM 595 O ILE A 39 -12.019 -3.214 1.589 1.00 0.02 O ATOM 596 CB ILE A 39 -11.700 -0.610 -0.178 1.00 0.00 C ATOM 597 CG1 ILE A 39 -12.063 0.803 -0.649 1.00 0.01 C ATOM 598 CG2 ILE A 39 -11.258 -1.446 -1.393 1.00 0.01 C ATOM 599 CD1 ILE A 39 -10.803 1.537 -1.115 1.00 0.00 C ATOM 0 H ILE A 39 -12.583 -1.033 2.598 1.00 0.02 H new ATOM 0 HA ILE A 39 -13.816 -1.118 -0.111 1.00 0.02 H new ATOM 0 HB ILE A 39 -10.886 -0.560 0.545 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -12.785 0.750 -1.463 1.00 0.01 H new ATOM 0 HG13 ILE A 39 -12.537 1.355 0.162 1.00 0.01 H new ATOM 0 HG21 ILE A 39 -10.394 -0.976 -1.863 1.00 0.01 H new ATOM 0 HG22 ILE A 39 -10.991 -2.451 -1.066 1.00 0.01 H new ATOM 0 HG23 ILE A 39 -12.075 -1.503 -2.112 1.00 0.01 H new ATOM 0 HD11 ILE A 39 -11.069 2.540 -1.448 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -10.095 1.605 -0.289 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -10.347 0.990 -1.940 1.00 0.00 H new ATOM 611 N ARG A 40 -13.096 -3.535 -0.310 1.00 0.02 N ATOM 612 CA ARG A 40 -12.841 -5.007 -0.308 1.00 0.02 C ATOM 613 C ARG A 40 -12.126 -5.361 -1.613 1.00 0.01 C ATOM 614 O ARG A 40 -12.637 -5.113 -2.687 1.00 0.02 O ATOM 615 CB ARG A 40 -14.150 -5.798 -0.227 1.00 0.01 C ATOM 616 CG ARG A 40 -13.836 -7.284 -0.032 1.00 0.02 C ATOM 617 CD ARG A 40 -15.131 -8.048 0.253 1.00 0.02 C ATOM 618 NE ARG A 40 -14.876 -9.512 0.143 1.00 0.02 N ATOM 619 CZ ARG A 40 -15.742 -10.364 0.622 1.00 0.02 C ATOM 620 NH1 ARG A 40 -16.832 -9.934 1.196 1.00 0.02 N ATOM 621 NH2 ARG A 40 -15.517 -11.646 0.526 1.00 0.02 N ATOM 0 H ARG A 40 -13.631 -3.199 -1.111 1.00 0.02 H new ATOM 0 HA ARG A 40 -12.236 -5.264 0.561 1.00 0.02 H new ATOM 0 HB2 ARG A 40 -14.758 -5.432 0.600 1.00 0.01 H new ATOM 0 HB3 ARG A 40 -14.731 -5.654 -1.138 1.00 0.01 H new ATOM 0 HG2 ARG A 40 -13.354 -7.685 -0.924 1.00 0.02 H new ATOM 0 HG3 ARG A 40 -13.136 -7.413 0.794 1.00 0.02 H new ATOM 0 HD2 ARG A 40 -15.497 -7.805 1.250 1.00 0.02 H new ATOM 0 HD3 ARG A 40 -15.906 -7.749 -0.453 1.00 0.02 H new ATOM 0 HE ARG A 40 -14.025 -9.849 -0.307 1.00 0.02 H new ATOM 0 HH11 ARG A 40 -17.008 -8.932 1.271 1.00 0.02 H new ATOM 0 HH12 ARG A 40 -17.508 -10.600 1.570 1.00 0.02 H new ATOM 0 HH21 ARG A 40 -14.665 -11.982 0.077 1.00 0.02 H new ATOM 0 HH22 ARG A 40 -16.193 -12.312 0.900 1.00 0.02 H new ATOM 635 N VAL A 41 -10.975 -5.976 -1.538 1.00 0.02 N ATOM 636 CA VAL A 41 -10.257 -6.394 -2.781 1.00 0.01 C ATOM 637 C VAL A 41 -10.396 -7.909 -2.884 1.00 0.02 C ATOM 638 O VAL A 41 -9.921 -8.639 -2.037 1.00 0.02 O ATOM 639 CB VAL A 41 -8.787 -5.990 -2.701 1.00 0.01 C ATOM 640 CG1 VAL A 41 -8.094 -6.327 -4.024 1.00 0.02 C ATOM 641 CG2 VAL A 41 -8.696 -4.481 -2.463 1.00 0.00 C ATOM 0 H VAL A 41 -10.499 -6.208 -0.667 1.00 0.02 H new ATOM 0 HA VAL A 41 -10.679 -5.909 -3.661 1.00 0.01 H new ATOM 0 HB VAL A 41 -8.304 -6.527 -1.885 1.00 0.01 H new ATOM 0 HG11 VAL A 41 -7.044 -6.039 -3.968 1.00 0.02 H new ATOM 0 HG12 VAL A 41 -8.167 -7.398 -4.210 1.00 0.02 H new ATOM 0 HG13 VAL A 41 -8.577 -5.784 -4.836 1.00 0.02 H new ATOM 0 HG21 VAL A 41 -7.649 -4.184 -2.405 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -9.177 -3.953 -3.286 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -9.197 -4.229 -1.528 1.00 0.00 H new ATOM 651 N GLU A 42 -11.076 -8.382 -3.893 1.00 0.01 N ATOM 652 CA GLU A 42 -11.287 -9.852 -4.030 1.00 0.01 C ATOM 653 C GLU A 42 -10.087 -10.510 -4.706 1.00 0.02 C ATOM 654 O GLU A 42 -9.746 -11.636 -4.408 1.00 0.01 O ATOM 655 CB GLU A 42 -12.550 -10.112 -4.853 1.00 0.99 C ATOM 656 CG GLU A 42 -12.963 -11.578 -4.713 1.00 1.86 C ATOM 657 CD GLU A 42 -14.195 -11.847 -5.579 1.00 3.10 C ATOM 658 OE1 GLU A 42 -14.766 -10.889 -6.075 1.00 3.67 O ATOM 659 OE2 GLU A 42 -14.546 -13.005 -5.734 1.00 3.81 O ATOM 0 H GLU A 42 -11.495 -7.814 -4.629 1.00 0.01 H new ATOM 0 HA GLU A 42 -11.401 -10.282 -3.035 1.00 0.01 H new ATOM 0 HB2 GLU A 42 -13.357 -9.463 -4.514 1.00 0.99 H new ATOM 0 HB3 GLU A 42 -12.368 -9.874 -5.901 1.00 0.99 H new ATOM 0 HG2 GLU A 42 -12.143 -12.228 -5.017 1.00 1.86 H new ATOM 0 HG3 GLU A 42 -13.182 -11.807 -3.670 1.00 1.86 H new ATOM 666 N GLY A 43 -9.441 -9.836 -5.617 1.00 0.01 N ATOM 667 CA GLY A 43 -8.273 -10.470 -6.289 1.00 0.02 C ATOM 668 C GLY A 43 -7.422 -9.422 -7.006 1.00 0.02 C ATOM 669 O GLY A 43 -7.915 -8.399 -7.439 1.00 0.02 O ATOM 0 H GLY A 43 -9.666 -8.889 -5.921 1.00 0.01 H new ATOM 0 HA2 GLY A 43 -7.666 -10.996 -5.552 1.00 0.02 H new ATOM 0 HA3 GLY A 43 -8.620 -11.214 -7.005 1.00 0.02 H new ATOM 673 N GLY A 44 -6.151 -9.673 -7.151 1.00 0.00 N ATOM 674 CA GLY A 44 -5.280 -8.693 -7.862 1.00 0.01 C ATOM 675 C GLY A 44 -4.818 -7.591 -6.907 1.00 0.01 C ATOM 676 O GLY A 44 -5.275 -7.488 -5.786 1.00 0.01 O ATOM 0 H GLY A 44 -5.678 -10.510 -6.810 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -4.414 -9.205 -8.281 1.00 0.01 H new ATOM 0 HA3 GLY A 44 -5.825 -8.253 -8.697 1.00 0.01 H new ATOM 680 N THR A 45 -3.936 -6.744 -7.376 1.00 0.01 N ATOM 681 CA THR A 45 -3.444 -5.596 -6.546 1.00 0.00 C ATOM 682 C THR A 45 -3.802 -4.300 -7.278 1.00 0.01 C ATOM 683 O THR A 45 -3.675 -4.220 -8.483 1.00 0.01 O ATOM 684 CB THR A 45 -1.923 -5.694 -6.386 1.00 0.73 C ATOM 685 OG1 THR A 45 -1.607 -6.815 -5.572 1.00 0.88 O ATOM 686 CG2 THR A 45 -1.386 -4.419 -5.730 1.00 1.48 C ATOM 0 H THR A 45 -3.530 -6.798 -8.310 1.00 0.01 H new ATOM 0 HA THR A 45 -3.903 -5.614 -5.558 1.00 0.00 H new ATOM 0 HB THR A 45 -1.464 -5.812 -7.368 1.00 0.73 H new ATOM 0 HG1 THR A 45 -0.635 -6.881 -5.469 1.00 0.88 H new ATOM 0 HG21 THR A 45 -0.304 -4.495 -5.619 1.00 1.48 H new ATOM 0 HG22 THR A 45 -1.627 -3.559 -6.355 1.00 1.48 H new ATOM 0 HG23 THR A 45 -1.844 -4.294 -4.749 1.00 1.48 H new ATOM 694 N TRP A 46 -4.315 -3.306 -6.585 1.00 0.02 N ATOM 695 CA TRP A 46 -4.745 -2.046 -7.281 1.00 0.01 C ATOM 696 C TRP A 46 -4.111 -0.800 -6.663 1.00 0.01 C ATOM 697 O TRP A 46 -3.773 -0.748 -5.499 1.00 0.01 O ATOM 698 CB TRP A 46 -6.266 -1.922 -7.177 1.00 0.00 C ATOM 699 CG TRP A 46 -6.908 -3.112 -7.817 1.00 0.01 C ATOM 700 CD1 TRP A 46 -6.835 -4.380 -7.350 1.00 0.01 C ATOM 701 CD2 TRP A 46 -7.715 -3.168 -9.028 1.00 0.01 C ATOM 702 NE1 TRP A 46 -7.548 -5.210 -8.195 1.00 0.00 N ATOM 703 CE2 TRP A 46 -8.108 -4.509 -9.246 1.00 0.01 C ATOM 704 CE3 TRP A 46 -8.141 -2.194 -9.950 1.00 0.01 C ATOM 705 CZ2 TRP A 46 -8.896 -4.873 -10.340 1.00 0.01 C ATOM 706 CZ3 TRP A 46 -8.934 -2.556 -11.052 1.00 0.02 C ATOM 707 CH2 TRP A 46 -9.311 -3.893 -11.245 1.00 0.01 C ATOM 0 H TRP A 46 -4.454 -3.312 -5.575 1.00 0.02 H new ATOM 0 HA TRP A 46 -4.419 -2.110 -8.319 1.00 0.01 H new ATOM 0 HB2 TRP A 46 -6.565 -1.852 -6.131 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -6.601 -1.007 -7.666 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -6.306 -4.693 -6.462 1.00 0.01 H new ATOM 0 HE1 TRP A 46 -7.648 -6.216 -8.059 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -7.857 -1.162 -9.810 1.00 0.01 H new ATOM 0 HZ2 TRP A 46 -9.182 -5.904 -10.485 1.00 0.01 H new ATOM 0 HZ3 TRP A 46 -9.255 -1.801 -11.754 1.00 0.02 H new ATOM 0 HH2 TRP A 46 -9.922 -4.165 -12.093 1.00 0.01 H new ATOM 718 N ALA A 47 -4.018 0.228 -7.463 1.00 0.01 N ATOM 719 CA ALA A 47 -3.488 1.542 -7.000 1.00 0.01 C ATOM 720 C ALA A 47 -4.688 2.483 -6.971 1.00 0.01 C ATOM 721 O ALA A 47 -5.458 2.544 -7.909 1.00 0.01 O ATOM 722 CB ALA A 47 -2.431 2.058 -7.979 1.00 0.24 C ATOM 0 H ALA A 47 -4.295 0.210 -8.444 1.00 0.01 H new ATOM 0 HA ALA A 47 -3.014 1.466 -6.022 1.00 0.01 H new ATOM 0 HB1 ALA A 47 -2.051 3.018 -7.631 1.00 0.24 H new ATOM 0 HB2 ALA A 47 -1.611 1.343 -8.039 1.00 0.24 H new ATOM 0 HB3 ALA A 47 -2.878 2.181 -8.966 1.00 0.24 H new ATOM 728 N VAL A 48 -4.837 3.240 -5.911 1.00 0.01 N ATOM 729 CA VAL A 48 -5.972 4.212 -5.818 1.00 0.02 C ATOM 730 C VAL A 48 -5.408 5.626 -5.679 1.00 0.01 C ATOM 731 O VAL A 48 -4.392 5.832 -5.047 1.00 0.01 O ATOM 732 CB VAL A 48 -6.851 3.878 -4.613 1.00 0.09 C ATOM 733 CG1 VAL A 48 -7.467 2.490 -4.803 1.00 0.48 C ATOM 734 CG2 VAL A 48 -6.001 3.895 -3.342 1.00 0.65 C ATOM 0 H VAL A 48 -4.217 3.226 -5.101 1.00 0.01 H new ATOM 0 HA VAL A 48 -6.581 4.149 -6.720 1.00 0.02 H new ATOM 0 HB VAL A 48 -7.647 4.618 -4.524 1.00 0.09 H new ATOM 0 HG11 VAL A 48 -8.094 2.250 -3.945 1.00 0.48 H new ATOM 0 HG12 VAL A 48 -8.073 2.482 -5.709 1.00 0.48 H new ATOM 0 HG13 VAL A 48 -6.673 1.748 -4.891 1.00 0.48 H new ATOM 0 HG21 VAL A 48 -6.627 3.657 -2.482 1.00 0.65 H new ATOM 0 HG22 VAL A 48 -5.205 3.155 -3.427 1.00 0.65 H new ATOM 0 HG23 VAL A 48 -5.564 4.885 -3.210 1.00 0.65 H new ATOM 744 N TYR A 49 -6.057 6.596 -6.278 1.00 0.01 N ATOM 745 CA TYR A 49 -5.559 8.010 -6.202 1.00 0.01 C ATOM 746 C TYR A 49 -6.623 8.904 -5.571 1.00 0.01 C ATOM 747 O TYR A 49 -7.812 8.688 -5.702 1.00 0.02 O ATOM 748 CB TYR A 49 -5.236 8.508 -7.613 1.00 0.01 C ATOM 749 CG TYR A 49 -4.047 7.745 -8.150 1.00 0.00 C ATOM 750 CD1 TYR A 49 -4.219 6.455 -8.667 1.00 0.01 C ATOM 751 CD2 TYR A 49 -2.775 8.329 -8.133 1.00 0.01 C ATOM 752 CE1 TYR A 49 -3.119 5.749 -9.167 1.00 0.01 C ATOM 753 CE2 TYR A 49 -1.675 7.622 -8.633 1.00 0.01 C ATOM 754 CZ TYR A 49 -1.847 6.333 -9.151 1.00 0.02 C ATOM 755 OH TYR A 49 -0.763 5.637 -9.643 1.00 0.01 O ATOM 0 H TYR A 49 -6.913 6.471 -6.818 1.00 0.01 H new ATOM 0 HA TYR A 49 -4.660 8.044 -5.587 1.00 0.01 H new ATOM 0 HB2 TYR A 49 -6.097 8.369 -8.266 1.00 0.01 H new ATOM 0 HB3 TYR A 49 -5.019 9.576 -7.594 1.00 0.01 H new ATOM 0 HD1 TYR A 49 -5.201 6.005 -8.680 1.00 0.01 H new ATOM 0 HD2 TYR A 49 -2.642 9.324 -7.735 1.00 0.01 H new ATOM 0 HE1 TYR A 49 -3.251 4.754 -9.565 1.00 0.01 H new ATOM 0 HE2 TYR A 49 -0.693 8.071 -8.619 1.00 0.01 H new ATOM 0 HH TYR A 49 0.044 6.186 -9.558 1.00 0.01 H new ATOM 765 N GLU A 50 -6.176 9.888 -4.840 1.00 0.01 N ATOM 766 CA GLU A 50 -7.106 10.806 -4.124 1.00 0.01 C ATOM 767 C GLU A 50 -7.922 11.643 -5.108 1.00 0.01 C ATOM 768 O GLU A 50 -9.064 11.966 -4.837 1.00 0.02 O ATOM 769 CB GLU A 50 -6.282 11.737 -3.233 1.00 0.02 C ATOM 770 CG GLU A 50 -7.214 12.491 -2.280 1.00 0.01 C ATOM 771 CD GLU A 50 -6.403 13.495 -1.460 1.00 0.02 C ATOM 772 OE1 GLU A 50 -5.944 14.468 -2.036 1.00 0.02 O ATOM 773 OE2 GLU A 50 -6.254 13.274 -0.269 1.00 0.01 O ATOM 0 H GLU A 50 -5.187 10.098 -4.707 1.00 0.01 H new ATOM 0 HA GLU A 50 -7.798 10.211 -3.528 1.00 0.01 H new ATOM 0 HB2 GLU A 50 -5.552 11.161 -2.664 1.00 0.02 H new ATOM 0 HB3 GLU A 50 -5.723 12.444 -3.846 1.00 0.02 H new ATOM 0 HG2 GLU A 50 -7.988 13.009 -2.846 1.00 0.01 H new ATOM 0 HG3 GLU A 50 -7.720 11.788 -1.617 1.00 0.01 H new ATOM 780 N ARG A 51 -7.355 12.025 -6.232 1.00 0.02 N ATOM 781 CA ARG A 51 -8.114 12.874 -7.211 1.00 0.02 C ATOM 782 C ARG A 51 -8.109 12.192 -8.595 1.00 0.01 C ATOM 783 O ARG A 51 -7.249 11.374 -8.879 1.00 0.02 O ATOM 784 CB ARG A 51 -7.409 14.248 -7.296 1.00 0.02 C ATOM 785 CG ARG A 51 -8.079 15.251 -6.346 1.00 0.01 C ATOM 786 CD ARG A 51 -7.286 16.559 -6.343 1.00 0.02 C ATOM 787 NE ARG A 51 -7.875 17.496 -5.343 1.00 0.02 N ATOM 788 CZ ARG A 51 -7.198 18.543 -4.955 1.00 0.02 C ATOM 789 NH1 ARG A 51 -6.008 18.768 -5.443 1.00 0.02 N ATOM 790 NH2 ARG A 51 -7.711 19.366 -4.081 1.00 0.01 N ATOM 0 H ARG A 51 -6.404 11.787 -6.513 1.00 0.02 H new ATOM 0 HA ARG A 51 -9.148 13.002 -6.889 1.00 0.02 H new ATOM 0 HB2 ARG A 51 -6.356 14.140 -7.038 1.00 0.02 H new ATOM 0 HB3 ARG A 51 -7.450 14.623 -8.319 1.00 0.02 H new ATOM 0 HG2 ARG A 51 -9.106 15.437 -6.661 1.00 0.01 H new ATOM 0 HG3 ARG A 51 -8.125 14.839 -5.338 1.00 0.01 H new ATOM 0 HD2 ARG A 51 -6.241 16.363 -6.102 1.00 0.02 H new ATOM 0 HD3 ARG A 51 -7.305 17.010 -7.335 1.00 0.02 H new ATOM 0 HE ARG A 51 -8.805 17.319 -4.963 1.00 0.02 H new ATOM 0 HH11 ARG A 51 -5.608 18.126 -6.127 1.00 0.02 H new ATOM 0 HH12 ARG A 51 -5.479 19.586 -5.140 1.00 0.02 H new ATOM 0 HH21 ARG A 51 -8.641 19.191 -3.701 1.00 0.01 H new ATOM 0 HH22 ARG A 51 -7.182 20.184 -3.778 1.00 0.01 H new ATOM 804 N PRO A 52 -9.062 12.528 -9.452 1.00 0.02 N ATOM 805 CA PRO A 52 -9.147 11.914 -10.810 1.00 0.02 C ATOM 806 C PRO A 52 -7.843 12.035 -11.607 1.00 0.01 C ATOM 807 O PRO A 52 -6.949 12.790 -11.281 1.00 0.02 O ATOM 808 CB PRO A 52 -10.295 12.710 -11.475 1.00 0.02 C ATOM 809 CG PRO A 52 -10.744 13.819 -10.504 1.00 0.01 C ATOM 810 CD PRO A 52 -10.121 13.534 -9.131 1.00 0.01 C ATOM 0 HA PRO A 52 -9.324 10.839 -10.767 1.00 0.02 H new ATOM 0 HB2 PRO A 52 -9.960 13.144 -12.417 1.00 0.02 H new ATOM 0 HB3 PRO A 52 -11.130 12.049 -11.708 1.00 0.02 H new ATOM 0 HG2 PRO A 52 -10.428 14.796 -10.870 1.00 0.01 H new ATOM 0 HG3 PRO A 52 -11.831 13.843 -10.431 1.00 0.01 H new ATOM 0 HD2 PRO A 52 -9.701 14.434 -8.682 1.00 0.01 H new ATOM 0 HD3 PRO A 52 -10.854 13.139 -8.428 1.00 0.01 H new ATOM 818 N ASN A 53 -7.781 11.296 -12.679 1.00 0.02 N ATOM 819 CA ASN A 53 -6.598 11.332 -13.581 1.00 0.02 C ATOM 820 C ASN A 53 -5.344 10.836 -12.864 1.00 0.01 C ATOM 821 O ASN A 53 -4.249 11.309 -13.094 1.00 0.01 O ATOM 822 CB ASN A 53 -6.387 12.766 -14.077 1.00 0.01 C ATOM 823 CG ASN A 53 -5.506 12.756 -15.330 1.00 0.02 C ATOM 824 OD1 ASN A 53 -5.972 12.466 -16.415 1.00 0.02 O ATOM 825 ND2 ASN A 53 -4.242 13.062 -15.226 1.00 0.01 N ATOM 0 H ASN A 53 -8.518 10.655 -12.973 1.00 0.02 H new ATOM 0 HA ASN A 53 -6.782 10.671 -14.428 1.00 0.02 H new ATOM 0 HB2 ASN A 53 -7.348 13.229 -14.301 1.00 0.01 H new ATOM 0 HB3 ASN A 53 -5.919 13.366 -13.296 1.00 0.01 H new ATOM 0 HD21 ASN A 53 -3.646 13.058 -16.054 1.00 0.01 H new ATOM 0 HD22 ASN A 53 -3.849 13.306 -14.317 1.00 0.01 H new ATOM 832 N PHE A 54 -5.506 9.855 -12.017 1.00 0.02 N ATOM 833 CA PHE A 54 -4.345 9.271 -11.292 1.00 0.01 C ATOM 834 C PHE A 54 -3.448 10.376 -10.730 1.00 0.01 C ATOM 835 O PHE A 54 -2.251 10.391 -10.937 1.00 0.02 O ATOM 836 CB PHE A 54 -3.555 8.377 -12.260 1.00 1.78 C ATOM 837 CG PHE A 54 -4.513 7.718 -13.230 1.00 2.32 C ATOM 838 CD1 PHE A 54 -5.602 6.982 -12.744 1.00 2.53 C ATOM 839 CD2 PHE A 54 -4.320 7.849 -14.612 1.00 2.77 C ATOM 840 CE1 PHE A 54 -6.494 6.378 -13.637 1.00 3.03 C ATOM 841 CE2 PHE A 54 -5.213 7.245 -15.504 1.00 3.32 C ATOM 842 CZ PHE A 54 -6.300 6.509 -15.018 1.00 3.39 C ATOM 0 H PHE A 54 -6.406 9.429 -11.795 1.00 0.02 H new ATOM 0 HA PHE A 54 -4.703 8.675 -10.453 1.00 0.01 H new ATOM 0 HB2 PHE A 54 -2.820 8.971 -12.804 1.00 1.78 H new ATOM 0 HB3 PHE A 54 -3.003 7.619 -11.704 1.00 1.78 H new ATOM 0 HD1 PHE A 54 -5.753 6.881 -11.679 1.00 2.53 H new ATOM 0 HD2 PHE A 54 -3.482 8.416 -14.989 1.00 2.77 H new ATOM 0 HE1 PHE A 54 -7.333 5.810 -13.261 1.00 3.03 H new ATOM 0 HE2 PHE A 54 -5.063 7.347 -16.569 1.00 3.32 H new ATOM 0 HZ PHE A 54 -6.988 6.043 -15.707 1.00 3.39 H new ATOM 852 N SER A 55 -4.041 11.301 -10.012 1.00 0.02 N ATOM 853 CA SER A 55 -3.260 12.431 -9.410 1.00 0.02 C ATOM 854 C SER A 55 -3.536 12.513 -7.905 1.00 0.01 C ATOM 855 O SER A 55 -4.480 11.932 -7.407 1.00 0.01 O ATOM 856 CB SER A 55 -3.685 13.740 -10.075 1.00 1.90 C ATOM 857 OG SER A 55 -3.234 13.748 -11.423 1.00 2.33 O ATOM 0 H SER A 55 -5.042 11.322 -9.815 1.00 0.02 H new ATOM 0 HA SER A 55 -2.195 12.261 -9.569 1.00 0.02 H new ATOM 0 HB2 SER A 55 -4.770 13.843 -10.041 1.00 1.90 H new ATOM 0 HB3 SER A 55 -3.267 14.589 -9.534 1.00 1.90 H new ATOM 0 HG SER A 55 -3.584 12.960 -11.890 1.00 2.33 H new ATOM 863 N GLY A 56 -2.710 13.220 -7.175 1.00 0.02 N ATOM 864 CA GLY A 56 -2.909 13.332 -5.699 1.00 0.02 C ATOM 865 C GLY A 56 -2.199 12.172 -4.987 1.00 0.02 C ATOM 866 O GLY A 56 -1.323 11.540 -5.543 1.00 0.00 O ATOM 0 H GLY A 56 -1.903 13.726 -7.540 1.00 0.02 H new ATOM 0 HA2 GLY A 56 -2.517 14.284 -5.342 1.00 0.02 H new ATOM 0 HA3 GLY A 56 -3.973 13.317 -5.465 1.00 0.02 H new ATOM 870 N HIS A 57 -2.555 11.897 -3.761 1.00 0.02 N ATOM 871 CA HIS A 57 -1.882 10.790 -3.015 1.00 0.02 C ATOM 872 C HIS A 57 -2.198 9.447 -3.674 1.00 0.01 C ATOM 873 O HIS A 57 -3.315 9.203 -4.083 1.00 0.01 O ATOM 874 CB HIS A 57 -2.379 10.777 -1.567 1.00 0.00 C ATOM 875 CG HIS A 57 -1.936 12.036 -0.874 1.00 0.01 C ATOM 876 ND1 HIS A 57 -0.840 12.068 -0.026 1.00 0.01 N ATOM 877 CD2 HIS A 57 -2.430 13.317 -0.895 1.00 0.01 C ATOM 878 CE1 HIS A 57 -0.713 13.329 0.426 1.00 0.02 C ATOM 879 NE2 HIS A 57 -1.658 14.131 -0.073 1.00 0.01 N ATOM 0 H HIS A 57 -3.282 12.390 -3.242 1.00 0.02 H new ATOM 0 HA HIS A 57 -0.804 10.951 -3.032 1.00 0.02 H new ATOM 0 HB2 HIS A 57 -3.466 10.700 -1.545 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -1.987 9.904 -1.045 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -3.288 13.643 -1.464 1.00 0.01 H new ATOM 0 HE1 HIS A 57 0.058 13.653 1.109 1.00 0.02 H new ATOM 0 HE2 HIS A 57 -1.786 15.126 0.110 1.00 0.01 H new ATOM 887 N MET A 58 -1.220 8.572 -3.767 1.00 0.02 N ATOM 888 CA MET A 58 -1.443 7.226 -4.393 1.00 0.02 C ATOM 889 C MET A 58 -1.190 6.128 -3.352 1.00 0.01 C ATOM 890 O MET A 58 -0.242 6.184 -2.593 1.00 0.01 O ATOM 891 CB MET A 58 -0.467 7.047 -5.558 1.00 2.61 C ATOM 892 CG MET A 58 0.968 7.067 -5.027 1.00 3.46 C ATOM 893 SD MET A 58 2.121 7.275 -6.407 1.00 4.50 S ATOM 894 CE MET A 58 2.232 5.532 -6.876 1.00 5.01 C ATOM 0 H MET A 58 -0.270 8.735 -3.433 1.00 0.02 H new ATOM 0 HA MET A 58 -2.469 7.157 -4.754 1.00 0.02 H new ATOM 0 HB2 MET A 58 -0.664 6.105 -6.070 1.00 2.61 H new ATOM 0 HB3 MET A 58 -0.607 7.843 -6.290 1.00 2.61 H new ATOM 0 HG2 MET A 58 1.091 7.880 -4.311 1.00 3.46 H new ATOM 0 HG3 MET A 58 1.183 6.140 -4.496 1.00 3.46 H new ATOM 0 HE1 MET A 58 2.906 5.426 -7.726 1.00 5.01 H new ATOM 0 HE2 MET A 58 2.614 4.953 -6.036 1.00 5.01 H new ATOM 0 HE3 MET A 58 1.243 5.165 -7.150 1.00 5.01 H new ATOM 904 N TYR A 59 -2.039 5.131 -3.314 1.00 0.02 N ATOM 905 CA TYR A 59 -1.879 4.011 -2.328 1.00 0.01 C ATOM 906 C TYR A 59 -2.061 2.663 -3.037 1.00 0.01 C ATOM 907 O TYR A 59 -2.957 2.479 -3.837 1.00 0.02 O ATOM 908 CB TYR A 59 -2.940 4.145 -1.233 1.00 0.01 C ATOM 909 CG TYR A 59 -2.597 5.316 -0.343 1.00 0.01 C ATOM 910 CD1 TYR A 59 -1.619 5.175 0.650 1.00 0.01 C ATOM 911 CD2 TYR A 59 -3.253 6.542 -0.510 1.00 0.01 C ATOM 912 CE1 TYR A 59 -1.298 6.260 1.475 1.00 0.02 C ATOM 913 CE2 TYR A 59 -2.932 7.627 0.314 1.00 0.01 C ATOM 914 CZ TYR A 59 -1.953 7.486 1.307 1.00 0.01 C ATOM 915 OH TYR A 59 -1.636 8.556 2.119 1.00 0.01 O ATOM 0 H TYR A 59 -2.847 5.042 -3.931 1.00 0.02 H new ATOM 0 HA TYR A 59 -0.882 4.060 -1.890 1.00 0.01 H new ATOM 0 HB2 TYR A 59 -3.924 4.290 -1.680 1.00 0.01 H new ATOM 0 HB3 TYR A 59 -2.989 3.229 -0.645 1.00 0.01 H new ATOM 0 HD1 TYR A 59 -1.113 4.230 0.779 1.00 0.01 H new ATOM 0 HD2 TYR A 59 -4.007 6.650 -1.275 1.00 0.01 H new ATOM 0 HE1 TYR A 59 -0.545 6.151 2.241 1.00 0.02 H new ATOM 0 HE2 TYR A 59 -3.438 8.572 0.185 1.00 0.01 H new ATOM 0 HH TYR A 59 -2.182 9.330 1.868 1.00 0.01 H new ATOM 925 N ILE A 60 -1.205 1.717 -2.733 1.00 0.02 N ATOM 926 CA ILE A 60 -1.298 0.359 -3.355 1.00 0.01 C ATOM 927 C ILE A 60 -2.083 -0.559 -2.407 1.00 0.01 C ATOM 928 O ILE A 60 -1.825 -0.594 -1.219 1.00 0.01 O ATOM 929 CB ILE A 60 0.119 -0.198 -3.581 1.00 0.45 C ATOM 930 CG1 ILE A 60 0.753 0.496 -4.792 1.00 1.35 C ATOM 931 CG2 ILE A 60 0.058 -1.707 -3.848 1.00 1.21 C ATOM 932 CD1 ILE A 60 0.930 1.991 -4.509 1.00 1.72 C ATOM 0 H ILE A 60 -0.436 1.830 -2.072 1.00 0.02 H new ATOM 0 HA ILE A 60 -1.809 0.416 -4.316 1.00 0.01 H new ATOM 0 HB ILE A 60 0.716 -0.013 -2.688 1.00 0.45 H new ATOM 0 HG12 ILE A 60 1.719 0.043 -5.016 1.00 1.35 H new ATOM 0 HG13 ILE A 60 0.124 0.356 -5.671 1.00 1.35 H new ATOM 0 HG21 ILE A 60 1.066 -2.090 -4.006 1.00 1.21 H new ATOM 0 HG22 ILE A 60 -0.391 -2.210 -2.992 1.00 1.21 H new ATOM 0 HG23 ILE A 60 -0.545 -1.895 -4.736 1.00 1.21 H new ATOM 0 HD11 ILE A 60 1.381 2.474 -5.376 1.00 1.72 H new ATOM 0 HD12 ILE A 60 -0.042 2.441 -4.308 1.00 1.72 H new ATOM 0 HD13 ILE A 60 1.577 2.123 -3.642 1.00 1.72 H new ATOM 944 N LEU A 61 -3.055 -1.279 -2.920 1.00 0.01 N ATOM 945 CA LEU A 61 -3.885 -2.178 -2.049 1.00 0.01 C ATOM 946 C LEU A 61 -3.769 -3.653 -2.516 1.00 0.01 C ATOM 947 O LEU A 61 -4.292 -4.000 -3.557 1.00 0.00 O ATOM 948 CB LEU A 61 -5.363 -1.734 -2.168 1.00 0.01 C ATOM 949 CG LEU A 61 -5.718 -0.698 -1.083 1.00 0.02 C ATOM 950 CD1 LEU A 61 -7.137 -0.176 -1.338 1.00 0.01 C ATOM 951 CD2 LEU A 61 -5.647 -1.342 0.324 1.00 0.01 C ATOM 0 H LEU A 61 -3.311 -1.283 -3.907 1.00 0.01 H new ATOM 0 HA LEU A 61 -3.533 -2.108 -1.020 1.00 0.01 H new ATOM 0 HB2 LEU A 61 -5.540 -1.307 -3.155 1.00 0.01 H new ATOM 0 HB3 LEU A 61 -6.016 -2.602 -2.075 1.00 0.01 H new ATOM 0 HG LEU A 61 -5.004 0.124 -1.125 1.00 0.02 H new ATOM 0 HD11 LEU A 61 -7.397 0.558 -0.575 1.00 0.01 H new ATOM 0 HD12 LEU A 61 -7.181 0.292 -2.322 1.00 0.01 H new ATOM 0 HD13 LEU A 61 -7.843 -1.006 -1.299 1.00 0.01 H new ATOM 0 HD21 LEU A 61 -5.900 -0.597 1.078 1.00 0.01 H new ATOM 0 HD22 LEU A 61 -6.353 -2.171 0.381 1.00 0.01 H new ATOM 0 HD23 LEU A 61 -4.638 -1.712 0.504 1.00 0.01 H new ATOM 963 N PRO A 62 -3.136 -4.538 -1.757 1.00 0.02 N ATOM 964 CA PRO A 62 -3.070 -5.969 -2.168 1.00 0.01 C ATOM 965 C PRO A 62 -4.412 -6.661 -1.879 1.00 0.00 C ATOM 966 O PRO A 62 -5.264 -6.112 -1.209 1.00 0.02 O ATOM 967 CB PRO A 62 -1.943 -6.516 -1.278 1.00 1.47 C ATOM 968 CG PRO A 62 -1.726 -5.521 -0.121 1.00 1.29 C ATOM 969 CD PRO A 62 -2.441 -4.202 -0.476 1.00 0.82 C ATOM 0 HA PRO A 62 -2.883 -6.126 -3.230 1.00 0.01 H new ATOM 0 HB2 PRO A 62 -2.207 -7.500 -0.890 1.00 1.47 H new ATOM 0 HB3 PRO A 62 -1.026 -6.636 -1.855 1.00 1.47 H new ATOM 0 HG2 PRO A 62 -2.121 -5.929 0.809 1.00 1.29 H new ATOM 0 HG3 PRO A 62 -0.661 -5.346 0.035 1.00 1.29 H new ATOM 0 HD2 PRO A 62 -3.145 -3.902 0.300 1.00 0.82 H new ATOM 0 HD3 PRO A 62 -1.736 -3.380 -0.602 1.00 0.82 H new ATOM 977 N GLN A 63 -4.615 -7.851 -2.375 1.00 0.02 N ATOM 978 CA GLN A 63 -5.910 -8.550 -2.119 1.00 0.00 C ATOM 979 C GLN A 63 -6.204 -8.584 -0.617 1.00 0.00 C ATOM 980 O GLN A 63 -5.316 -8.770 0.191 1.00 0.02 O ATOM 981 CB GLN A 63 -5.820 -9.984 -2.648 1.00 1.27 C ATOM 982 CG GLN A 63 -4.560 -10.653 -2.098 1.00 1.67 C ATOM 983 CD GLN A 63 -4.456 -12.076 -2.649 1.00 2.43 C ATOM 984 OE1 GLN A 63 -5.397 -12.533 -3.431 1.00 4.25 O flip ATOM 985 NE2 GLN A 63 -3.507 -12.781 -2.366 1.00 3.04 N flip ATOM 0 H GLN A 63 -3.945 -8.369 -2.944 1.00 0.02 H new ATOM 0 HA GLN A 63 -6.712 -8.014 -2.626 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -6.704 -10.549 -2.351 1.00 1.27 H new ATOM 0 HB3 GLN A 63 -5.796 -9.980 -3.738 1.00 1.27 H new ATOM 0 HG2 GLN A 63 -3.678 -10.078 -2.379 1.00 1.67 H new ATOM 0 HG3 GLN A 63 -4.593 -10.675 -1.009 1.00 1.67 H new ATOM 0 HE21 GLN A 63 -2.771 -12.425 -1.755 1.00 3.04 H new ATOM 0 HE22 GLN A 63 -3.446 -13.728 -2.739 1.00 3.04 H new ATOM 994 N GLY A 64 -7.445 -8.414 -0.226 1.00 0.02 N ATOM 995 CA GLY A 64 -7.770 -8.447 1.232 1.00 0.01 C ATOM 996 C GLY A 64 -9.035 -7.631 1.523 1.00 0.02 C ATOM 997 O GLY A 64 -9.678 -7.110 0.633 1.00 0.02 O ATOM 0 H GLY A 64 -8.238 -8.256 -0.848 1.00 0.02 H new ATOM 0 HA2 GLY A 64 -7.914 -9.478 1.554 1.00 0.01 H new ATOM 0 HA3 GLY A 64 -6.933 -8.048 1.805 1.00 0.01 H new ATOM 1001 N GLU A 65 -9.393 -7.523 2.779 1.00 0.02 N ATOM 1002 CA GLU A 65 -10.615 -6.751 3.174 1.00 0.02 C ATOM 1003 C GLU A 65 -10.217 -5.600 4.103 1.00 0.02 C ATOM 1004 O GLU A 65 -9.507 -5.782 5.072 1.00 0.02 O ATOM 1005 CB GLU A 65 -11.573 -7.684 3.918 1.00 0.77 C ATOM 1006 CG GLU A 65 -12.941 -7.011 4.053 1.00 0.49 C ATOM 1007 CD GLU A 65 -13.780 -7.761 5.090 1.00 0.67 C ATOM 1008 OE1 GLU A 65 -13.254 -8.053 6.150 1.00 0.96 O ATOM 1009 OE2 GLU A 65 -14.936 -8.030 4.805 1.00 0.71 O ATOM 0 H GLU A 65 -8.885 -7.942 3.558 1.00 0.02 H new ATOM 0 HA GLU A 65 -11.098 -6.350 2.283 1.00 0.02 H new ATOM 0 HB2 GLU A 65 -11.671 -8.626 3.379 1.00 0.77 H new ATOM 0 HB3 GLU A 65 -11.174 -7.921 4.904 1.00 0.77 H new ATOM 0 HG2 GLU A 65 -12.818 -5.970 4.353 1.00 0.49 H new ATOM 0 HG3 GLU A 65 -13.452 -7.007 3.090 1.00 0.49 H new ATOM 1016 N TYR A 66 -10.692 -4.412 3.810 1.00 0.02 N ATOM 1017 CA TYR A 66 -10.384 -3.220 4.656 1.00 0.02 C ATOM 1018 C TYR A 66 -11.719 -2.652 5.178 1.00 0.02 C ATOM 1019 O TYR A 66 -12.380 -1.916 4.472 1.00 0.02 O ATOM 1020 CB TYR A 66 -9.696 -2.169 3.779 1.00 0.01 C ATOM 1021 CG TYR A 66 -8.348 -2.694 3.337 1.00 0.02 C ATOM 1022 CD1 TYR A 66 -8.277 -3.718 2.383 1.00 0.02 C ATOM 1023 CD2 TYR A 66 -7.172 -2.166 3.883 1.00 0.01 C ATOM 1024 CE1 TYR A 66 -7.032 -4.212 1.976 1.00 0.02 C ATOM 1025 CE2 TYR A 66 -5.927 -2.662 3.477 1.00 0.02 C ATOM 1026 CZ TYR A 66 -5.857 -3.684 2.524 1.00 0.02 C ATOM 1027 OH TYR A 66 -4.629 -4.172 2.125 1.00 0.01 O ATOM 0 H TYR A 66 -11.290 -4.218 3.007 1.00 0.02 H new ATOM 0 HA TYR A 66 -9.735 -3.487 5.490 1.00 0.02 H new ATOM 0 HB2 TYR A 66 -10.314 -1.942 2.910 1.00 0.01 H new ATOM 0 HB3 TYR A 66 -9.573 -1.239 4.334 1.00 0.01 H new ATOM 0 HD1 TYR A 66 -9.184 -4.126 1.961 1.00 0.02 H new ATOM 0 HD2 TYR A 66 -7.225 -1.376 4.617 1.00 0.01 H new ATOM 0 HE1 TYR A 66 -6.978 -5.000 1.240 1.00 0.02 H new ATOM 0 HE2 TYR A 66 -5.020 -2.255 3.900 1.00 0.02 H new ATOM 0 HH TYR A 66 -3.917 -3.696 2.602 1.00 0.01 H new ATOM 1037 N PRO A 67 -12.138 -2.995 6.384 1.00 0.01 N ATOM 1038 CA PRO A 67 -13.437 -2.489 6.912 1.00 0.02 C ATOM 1039 C PRO A 67 -13.458 -0.975 7.174 1.00 0.02 C ATOM 1040 O PRO A 67 -14.492 -0.426 7.503 1.00 0.02 O ATOM 1041 CB PRO A 67 -13.614 -3.289 8.223 1.00 0.02 C ATOM 1042 CG PRO A 67 -12.377 -4.190 8.421 1.00 0.02 C ATOM 1043 CD PRO A 67 -11.375 -3.905 7.286 1.00 0.01 C ATOM 0 HA PRO A 67 -14.243 -2.628 6.192 1.00 0.02 H new ATOM 0 HB2 PRO A 67 -13.727 -2.610 9.068 1.00 0.02 H new ATOM 0 HB3 PRO A 67 -14.519 -3.894 8.178 1.00 0.02 H new ATOM 0 HG2 PRO A 67 -11.917 -3.994 9.390 1.00 0.02 H new ATOM 0 HG3 PRO A 67 -12.669 -5.240 8.413 1.00 0.02 H new ATOM 0 HD2 PRO A 67 -10.466 -3.434 7.659 1.00 0.01 H new ATOM 0 HD3 PRO A 67 -11.073 -4.819 6.775 1.00 0.01 H new ATOM 1051 N GLU A 68 -12.357 -0.285 7.022 1.00 0.01 N ATOM 1052 CA GLU A 68 -12.376 1.189 7.259 1.00 0.01 C ATOM 1053 C GLU A 68 -11.200 1.814 6.505 1.00 0.03 C ATOM 1054 O GLU A 68 -10.231 1.164 6.169 1.00 0.02 O ATOM 1055 CB GLU A 68 -12.225 1.487 8.755 1.00 0.69 C ATOM 1056 CG GLU A 68 -13.493 1.071 9.506 1.00 1.09 C ATOM 1057 CD GLU A 68 -13.484 1.696 10.902 1.00 1.35 C ATOM 1058 OE1 GLU A 68 -13.709 2.892 10.995 1.00 2.02 O ATOM 1059 OE2 GLU A 68 -13.249 0.969 11.854 1.00 1.55 O ATOM 0 H GLU A 68 -11.455 -0.673 6.747 1.00 0.01 H new ATOM 0 HA GLU A 68 -13.322 1.603 6.910 1.00 0.01 H new ATOM 0 HB2 GLU A 68 -11.364 0.952 9.155 1.00 0.69 H new ATOM 0 HB3 GLU A 68 -12.037 2.550 8.905 1.00 0.69 H new ATOM 0 HG2 GLU A 68 -14.377 1.394 8.956 1.00 1.09 H new ATOM 0 HG3 GLU A 68 -13.544 -0.015 9.582 1.00 1.09 H new ATOM 1066 N TYR A 69 -11.315 3.073 6.191 1.00 0.02 N ATOM 1067 CA TYR A 69 -10.251 3.749 5.399 1.00 0.02 C ATOM 1068 C TYR A 69 -8.900 3.753 6.123 1.00 0.01 C ATOM 1069 O TYR A 69 -7.857 3.607 5.510 1.00 0.01 O ATOM 1070 CB TYR A 69 -10.692 5.175 5.063 1.00 0.02 C ATOM 1071 CG TYR A 69 -10.882 5.961 6.338 1.00 0.02 C ATOM 1072 CD1 TYR A 69 -12.077 5.847 7.058 1.00 0.02 C ATOM 1073 CD2 TYR A 69 -9.864 6.806 6.797 1.00 0.02 C ATOM 1074 CE1 TYR A 69 -12.255 6.578 8.238 1.00 0.02 C ATOM 1075 CE2 TYR A 69 -10.042 7.536 7.978 1.00 0.02 C ATOM 1076 CZ TYR A 69 -11.238 7.423 8.699 1.00 0.02 C ATOM 1077 OH TYR A 69 -11.412 8.144 9.861 1.00 0.01 O ATOM 0 H TYR A 69 -12.104 3.666 6.450 1.00 0.02 H new ATOM 0 HA TYR A 69 -10.108 3.185 4.477 1.00 0.02 H new ATOM 0 HB2 TYR A 69 -9.945 5.659 4.434 1.00 0.02 H new ATOM 0 HB3 TYR A 69 -11.622 5.154 4.495 1.00 0.02 H new ATOM 0 HD1 TYR A 69 -12.861 5.195 6.703 1.00 0.02 H new ATOM 0 HD2 TYR A 69 -8.943 6.894 6.240 1.00 0.02 H new ATOM 0 HE1 TYR A 69 -13.177 6.490 8.793 1.00 0.02 H new ATOM 0 HE2 TYR A 69 -9.257 8.187 8.334 1.00 0.02 H new ATOM 0 HH TYR A 69 -12.005 7.651 10.466 1.00 0.01 H new ATOM 1087 N GLN A 70 -8.901 3.932 7.416 1.00 0.01 N ATOM 1088 CA GLN A 70 -7.617 3.948 8.171 1.00 0.02 C ATOM 1089 C GLN A 70 -6.900 2.600 8.014 1.00 0.01 C ATOM 1090 O GLN A 70 -5.704 2.493 8.191 1.00 0.02 O ATOM 1091 CB GLN A 70 -7.907 4.189 9.655 1.00 0.01 C ATOM 1092 CG GLN A 70 -8.713 5.478 9.818 1.00 0.01 C ATOM 1093 CD GLN A 70 -8.886 5.789 11.306 1.00 0.02 C ATOM 1094 OE1 GLN A 70 -8.268 5.162 12.145 1.00 0.01 O ATOM 1095 NE2 GLN A 70 -9.705 6.736 11.672 1.00 0.02 N ATOM 0 H GLN A 70 -9.738 4.068 7.983 1.00 0.01 H new ATOM 0 HA GLN A 70 -6.982 4.743 7.780 1.00 0.02 H new ATOM 0 HB2 GLN A 70 -8.462 3.347 10.069 1.00 0.01 H new ATOM 0 HB3 GLN A 70 -6.973 4.260 10.212 1.00 0.01 H new ATOM 0 HG2 GLN A 70 -8.203 6.303 9.320 1.00 0.01 H new ATOM 0 HG3 GLN A 70 -9.688 5.372 9.342 1.00 0.01 H new ATOM 0 HE21 GLN A 70 -10.223 7.262 10.968 1.00 0.02 H new ATOM 0 HE22 GLN A 70 -9.827 6.951 12.662 1.00 0.02 H new ATOM 1104 N ARG A 71 -7.637 1.571 7.686 1.00 0.01 N ATOM 1105 CA ARG A 71 -7.009 0.229 7.526 1.00 0.02 C ATOM 1106 C ARG A 71 -6.069 0.230 6.314 1.00 0.01 C ATOM 1107 O ARG A 71 -5.185 -0.598 6.214 1.00 0.02 O ATOM 1108 CB ARG A 71 -8.100 -0.832 7.346 1.00 0.34 C ATOM 1109 CG ARG A 71 -7.485 -2.240 7.419 1.00 0.72 C ATOM 1110 CD ARG A 71 -6.918 -2.515 8.826 1.00 1.04 C ATOM 1111 NE ARG A 71 -5.477 -2.140 8.862 1.00 1.67 N ATOM 1112 CZ ARG A 71 -4.867 -2.004 10.007 1.00 2.47 C ATOM 1113 NH1 ARG A 71 -5.520 -2.192 11.121 1.00 2.54 N ATOM 1114 NH2 ARG A 71 -3.604 -1.679 10.039 1.00 3.42 N ATOM 0 H ARG A 71 -8.643 1.603 7.523 1.00 0.01 H new ATOM 0 HA ARG A 71 -6.428 -0.004 8.419 1.00 0.02 H new ATOM 0 HB2 ARG A 71 -8.860 -0.718 8.119 1.00 0.34 H new ATOM 0 HB3 ARG A 71 -8.598 -0.694 6.386 1.00 0.34 H new ATOM 0 HG2 ARG A 71 -8.241 -2.986 7.174 1.00 0.72 H new ATOM 0 HG3 ARG A 71 -6.692 -2.335 6.677 1.00 0.72 H new ATOM 0 HD2 ARG A 71 -7.472 -1.944 9.571 1.00 1.04 H new ATOM 0 HD3 ARG A 71 -7.037 -3.569 9.078 1.00 1.04 H new ATOM 0 HE ARG A 71 -4.967 -1.990 7.991 1.00 1.67 H new ATOM 0 HH11 ARG A 71 -6.508 -2.445 11.097 1.00 2.54 H new ATOM 0 HH12 ARG A 71 -5.043 -2.086 12.016 1.00 2.54 H new ATOM 0 HH21 ARG A 71 -3.093 -1.531 9.169 1.00 3.42 H new ATOM 0 HH22 ARG A 71 -3.127 -1.573 10.934 1.00 3.42 H new ATOM 1128 N TRP A 72 -6.226 1.178 5.411 1.00 0.02 N ATOM 1129 CA TRP A 72 -5.306 1.256 4.222 1.00 0.01 C ATOM 1130 C TRP A 72 -4.417 2.488 4.359 1.00 0.01 C ATOM 1131 O TRP A 72 -3.783 2.922 3.419 1.00 0.02 O ATOM 1132 CB TRP A 72 -6.094 1.261 2.890 1.00 0.02 C ATOM 1133 CG TRP A 72 -6.972 2.471 2.698 1.00 0.01 C ATOM 1134 CD1 TRP A 72 -6.560 3.759 2.599 1.00 0.01 C ATOM 1135 CD2 TRP A 72 -8.418 2.499 2.500 1.00 0.02 C ATOM 1136 NE1 TRP A 72 -7.660 4.567 2.375 1.00 0.02 N ATOM 1137 CE2 TRP A 72 -8.826 3.840 2.310 1.00 0.02 C ATOM 1138 CE3 TRP A 72 -9.405 1.499 2.481 1.00 0.01 C ATOM 1139 CZ2 TRP A 72 -10.164 4.178 2.101 1.00 0.02 C ATOM 1140 CZ3 TRP A 72 -10.751 1.834 2.271 1.00 0.02 C ATOM 1141 CH2 TRP A 72 -11.131 3.170 2.082 1.00 0.02 C ATOM 0 H TRP A 72 -6.948 1.898 5.446 1.00 0.02 H new ATOM 0 HA TRP A 72 -4.676 0.367 4.200 1.00 0.01 H new ATOM 0 HB2 TRP A 72 -5.387 1.203 2.062 1.00 0.02 H new ATOM 0 HB3 TRP A 72 -6.713 0.365 2.843 1.00 0.02 H new ATOM 0 HD1 TRP A 72 -5.538 4.099 2.682 1.00 0.01 H new ATOM 0 HE1 TRP A 72 -7.612 5.581 2.271 1.00 0.02 H new ATOM 0 HE3 TRP A 72 -9.126 0.466 2.629 1.00 0.01 H new ATOM 0 HZ2 TRP A 72 -10.449 5.209 1.955 1.00 0.02 H new ATOM 0 HZ3 TRP A 72 -11.500 1.056 2.255 1.00 0.02 H new ATOM 0 HH2 TRP A 72 -12.170 3.420 1.922 1.00 0.02 H new ATOM 1152 N MET A 73 -4.355 3.032 5.550 1.00 0.02 N ATOM 1153 CA MET A 73 -3.510 4.235 5.822 1.00 0.02 C ATOM 1154 C MET A 73 -4.002 5.441 5.009 1.00 0.01 C ATOM 1155 O MET A 73 -3.256 6.353 4.712 1.00 0.02 O ATOM 1156 CB MET A 73 -2.037 3.947 5.482 1.00 0.02 C ATOM 1157 CG MET A 73 -1.565 2.662 6.186 1.00 0.01 C ATOM 1158 SD MET A 73 -1.862 1.235 5.111 1.00 0.01 S ATOM 1159 CE MET A 73 -0.295 1.304 4.207 1.00 0.01 C ATOM 0 H MET A 73 -4.866 2.684 6.362 1.00 0.02 H new ATOM 0 HA MET A 73 -3.591 4.470 6.883 1.00 0.02 H new ATOM 0 HB2 MET A 73 -1.920 3.842 4.403 1.00 0.02 H new ATOM 0 HB3 MET A 73 -1.415 4.787 5.790 1.00 0.02 H new ATOM 0 HG2 MET A 73 -0.504 2.735 6.425 1.00 0.01 H new ATOM 0 HG3 MET A 73 -2.096 2.536 7.129 1.00 0.01 H new ATOM 0 HE1 MET A 73 -0.261 0.497 3.475 1.00 0.01 H new ATOM 0 HE2 MET A 73 -0.212 2.262 3.695 1.00 0.01 H new ATOM 0 HE3 MET A 73 0.534 1.194 4.906 1.00 0.01 H new ATOM 1169 N GLY A 74 -5.260 5.442 4.646 1.00 0.02 N ATOM 1170 CA GLY A 74 -5.809 6.578 3.854 1.00 0.02 C ATOM 1171 C GLY A 74 -5.671 7.875 4.645 1.00 0.01 C ATOM 1172 O GLY A 74 -5.832 7.897 5.850 1.00 0.01 O ATOM 0 H GLY A 74 -5.929 4.704 4.865 1.00 0.02 H new ATOM 0 HA2 GLY A 74 -5.278 6.662 2.906 1.00 0.02 H new ATOM 0 HA3 GLY A 74 -6.857 6.395 3.618 1.00 0.02 H new ATOM 1176 N LEU A 75 -5.424 8.969 3.977 1.00 0.02 N ATOM 1177 CA LEU A 75 -5.335 10.272 4.696 1.00 0.02 C ATOM 1178 C LEU A 75 -6.768 10.773 4.932 1.00 0.01 C ATOM 1179 O LEU A 75 -7.061 11.417 5.920 1.00 0.02 O ATOM 1180 CB LEU A 75 -4.542 11.275 3.848 1.00 0.55 C ATOM 1181 CG LEU A 75 -4.607 12.675 4.473 1.00 0.58 C ATOM 1182 CD1 LEU A 75 -4.149 12.620 5.937 1.00 0.98 C ATOM 1183 CD2 LEU A 75 -3.690 13.616 3.685 1.00 0.42 C ATOM 0 H LEU A 75 -5.280 9.017 2.968 1.00 0.02 H new ATOM 0 HA LEU A 75 -4.820 10.157 5.650 1.00 0.02 H new ATOM 0 HB2 LEU A 75 -3.504 10.953 3.769 1.00 0.55 H new ATOM 0 HB3 LEU A 75 -4.945 11.303 2.835 1.00 0.55 H new ATOM 0 HG LEU A 75 -5.633 13.040 4.438 1.00 0.58 H new ATOM 0 HD11 LEU A 75 -4.199 13.618 6.372 1.00 0.98 H new ATOM 0 HD12 LEU A 75 -4.799 11.948 6.497 1.00 0.98 H new ATOM 0 HD13 LEU A 75 -3.123 12.255 5.984 1.00 0.98 H new ATOM 0 HD21 LEU A 75 -3.730 14.614 4.122 1.00 0.42 H new ATOM 0 HD22 LEU A 75 -2.666 13.243 3.724 1.00 0.42 H new ATOM 0 HD23 LEU A 75 -4.020 13.661 2.647 1.00 0.42 H new ATOM 1195 N ASN A 76 -7.670 10.448 4.039 1.00 0.01 N ATOM 1196 CA ASN A 76 -9.096 10.846 4.177 1.00 0.02 C ATOM 1197 C ASN A 76 -9.905 9.864 3.327 1.00 0.02 C ATOM 1198 O ASN A 76 -9.370 8.886 2.845 1.00 0.02 O ATOM 1199 CB ASN A 76 -9.294 12.278 3.671 1.00 0.02 C ATOM 1200 CG ASN A 76 -8.600 12.440 2.317 1.00 0.02 C ATOM 1201 OD1 ASN A 76 -8.429 11.481 1.590 1.00 0.01 O ATOM 1202 ND2 ASN A 76 -8.190 13.621 1.945 1.00 0.02 N ATOM 0 H ASN A 76 -7.466 9.908 3.198 1.00 0.01 H new ATOM 0 HA ASN A 76 -9.416 10.819 5.219 1.00 0.02 H new ATOM 0 HB2 ASN A 76 -10.357 12.498 3.575 1.00 0.02 H new ATOM 0 HB3 ASN A 76 -8.885 12.989 4.389 1.00 0.02 H new ATOM 0 HD21 ASN A 76 -7.726 13.740 1.044 1.00 0.02 H new ATOM 0 HD22 ASN A 76 -8.333 14.426 2.555 1.00 0.02 H new ATOM 1209 N ASP A 77 -11.182 10.087 3.142 1.00 0.01 N ATOM 1210 CA ASP A 77 -11.998 9.126 2.328 1.00 0.01 C ATOM 1211 C ASP A 77 -12.178 9.641 0.895 1.00 0.01 C ATOM 1212 O ASP A 77 -13.167 9.347 0.254 1.00 0.01 O ATOM 1213 CB ASP A 77 -13.378 8.968 2.972 1.00 0.01 C ATOM 1214 CG ASP A 77 -13.222 8.402 4.385 1.00 0.01 C ATOM 1215 OD1 ASP A 77 -12.293 7.638 4.596 1.00 0.01 O ATOM 1216 OD2 ASP A 77 -14.033 8.739 5.230 1.00 0.02 O ATOM 0 H ASP A 77 -11.695 10.886 3.515 1.00 0.01 H new ATOM 0 HA ASP A 77 -11.477 8.169 2.297 1.00 0.01 H new ATOM 0 HB2 ASP A 77 -13.886 9.932 3.009 1.00 0.01 H new ATOM 0 HB3 ASP A 77 -13.998 8.304 2.370 1.00 0.01 H new ATOM 1221 N ARG A 78 -11.252 10.417 0.385 1.00 0.01 N ATOM 1222 CA ARG A 78 -11.408 10.955 -1.007 1.00 0.01 C ATOM 1223 C ARG A 78 -10.656 10.081 -2.018 1.00 0.02 C ATOM 1224 O ARG A 78 -9.461 9.893 -1.924 1.00 0.02 O ATOM 1225 CB ARG A 78 -10.873 12.388 -1.060 1.00 0.43 C ATOM 1226 CG ARG A 78 -11.748 13.296 -0.183 1.00 0.80 C ATOM 1227 CD ARG A 78 -11.185 14.735 -0.165 1.00 1.00 C ATOM 1228 NE ARG A 78 -11.184 15.268 1.235 1.00 1.30 N ATOM 1229 CZ ARG A 78 -12.232 15.148 2.009 1.00 2.30 C ATOM 1230 NH1 ARG A 78 -13.344 14.648 1.545 1.00 2.72 N ATOM 1231 NH2 ARG A 78 -12.174 15.559 3.245 1.00 3.20 N ATOM 0 H ARG A 78 -10.399 10.701 0.867 1.00 0.01 H new ATOM 0 HA ARG A 78 -12.466 10.946 -1.269 1.00 0.01 H new ATOM 0 HB2 ARG A 78 -9.840 12.415 -0.712 1.00 0.43 H new ATOM 0 HB3 ARG A 78 -10.872 12.749 -2.088 1.00 0.43 H new ATOM 0 HG2 ARG A 78 -12.770 13.303 -0.563 1.00 0.80 H new ATOM 0 HG3 ARG A 78 -11.788 12.902 0.832 1.00 0.80 H new ATOM 0 HD2 ARG A 78 -10.172 14.743 -0.566 1.00 1.00 H new ATOM 0 HD3 ARG A 78 -11.787 15.378 -0.807 1.00 1.00 H new ATOM 0 HE ARG A 78 -10.350 15.734 1.592 1.00 1.30 H new ATOM 0 HH11 ARG A 78 -13.401 14.347 0.572 1.00 2.72 H new ATOM 0 HH12 ARG A 78 -14.156 14.558 2.155 1.00 2.72 H new ATOM 0 HH21 ARG A 78 -11.314 15.972 3.605 1.00 3.20 H new ATOM 0 HH22 ARG A 78 -12.989 15.467 3.852 1.00 3.20 H new ATOM 1245 N LEU A 79 -11.352 9.568 -3.001 1.00 0.01 N ATOM 1246 CA LEU A 79 -10.704 8.727 -4.056 1.00 0.01 C ATOM 1247 C LEU A 79 -11.404 9.027 -5.388 1.00 0.01 C ATOM 1248 O LEU A 79 -12.609 8.919 -5.494 1.00 0.02 O ATOM 1249 CB LEU A 79 -10.860 7.241 -3.705 1.00 1.04 C ATOM 1250 CG LEU A 79 -9.823 6.833 -2.644 1.00 1.85 C ATOM 1251 CD1 LEU A 79 -10.107 5.393 -2.197 1.00 2.40 C ATOM 1252 CD2 LEU A 79 -8.388 6.929 -3.216 1.00 2.61 C ATOM 0 H LEU A 79 -12.357 9.698 -3.120 1.00 0.01 H new ATOM 0 HA LEU A 79 -9.640 8.953 -4.126 1.00 0.01 H new ATOM 0 HB2 LEU A 79 -11.866 7.052 -3.332 1.00 1.04 H new ATOM 0 HB3 LEU A 79 -10.733 6.633 -4.601 1.00 1.04 H new ATOM 0 HG LEU A 79 -9.898 7.510 -1.793 1.00 1.85 H new ATOM 0 HD11 LEU A 79 -9.377 5.095 -1.445 1.00 2.40 H new ATOM 0 HD12 LEU A 79 -11.109 5.335 -1.773 1.00 2.40 H new ATOM 0 HD13 LEU A 79 -10.037 4.725 -3.055 1.00 2.40 H new ATOM 0 HD21 LEU A 79 -7.670 6.636 -2.450 1.00 2.61 H new ATOM 0 HD22 LEU A 79 -8.293 6.264 -4.075 1.00 2.61 H new ATOM 0 HD23 LEU A 79 -8.188 7.954 -3.527 1.00 2.61 H new ATOM 1264 N GLY A 80 -10.670 9.458 -6.390 1.00 0.02 N ATOM 1265 CA GLY A 80 -11.306 9.828 -7.702 1.00 0.02 C ATOM 1266 C GLY A 80 -10.963 8.844 -8.833 1.00 0.02 C ATOM 1267 O GLY A 80 -11.619 8.835 -9.856 1.00 0.01 O ATOM 0 H GLY A 80 -9.657 9.570 -6.357 1.00 0.02 H new ATOM 0 HA2 GLY A 80 -12.388 9.867 -7.577 1.00 0.02 H new ATOM 0 HA3 GLY A 80 -10.982 10.829 -7.987 1.00 0.02 H new ATOM 1271 N SER A 81 -9.957 8.021 -8.690 1.00 0.01 N ATOM 1272 CA SER A 81 -9.629 7.071 -9.805 1.00 0.01 C ATOM 1273 C SER A 81 -8.860 5.864 -9.266 1.00 0.02 C ATOM 1274 O SER A 81 -8.224 5.926 -8.231 1.00 0.01 O ATOM 1275 CB SER A 81 -8.780 7.791 -10.852 1.00 0.01 C ATOM 1276 OG SER A 81 -7.599 8.290 -10.237 1.00 0.01 O ATOM 0 H SER A 81 -9.356 7.962 -7.868 1.00 0.01 H new ATOM 0 HA SER A 81 -10.557 6.723 -10.258 1.00 0.01 H new ATOM 0 HB2 SER A 81 -8.522 7.107 -11.660 1.00 0.01 H new ATOM 0 HB3 SER A 81 -9.346 8.610 -11.296 1.00 0.01 H new ATOM 0 HG SER A 81 -7.754 9.206 -9.926 1.00 0.01 H new ATOM 1282 N CYS A 82 -8.913 4.759 -9.975 1.00 0.02 N ATOM 1283 CA CYS A 82 -8.181 3.532 -9.522 1.00 0.01 C ATOM 1284 C CYS A 82 -7.627 2.769 -10.732 1.00 0.01 C ATOM 1285 O CYS A 82 -8.220 2.752 -11.793 1.00 0.01 O ATOM 1286 CB CYS A 82 -9.136 2.626 -8.742 1.00 0.01 C ATOM 1287 SG CYS A 82 -8.244 1.158 -8.170 1.00 0.02 S ATOM 0 H CYS A 82 -9.431 4.655 -10.847 1.00 0.02 H new ATOM 0 HA CYS A 82 -7.352 3.831 -8.881 1.00 0.01 H new ATOM 0 HB2 CYS A 82 -9.553 3.166 -7.892 1.00 0.01 H new ATOM 0 HB3 CYS A 82 -9.974 2.332 -9.375 1.00 0.01 H new ATOM 0 HG CYS A 82 -6.995 1.459 -7.973 1.00 0.02 H new ATOM 1293 N ARG A 83 -6.494 2.126 -10.573 1.00 0.01 N ATOM 1294 CA ARG A 83 -5.887 1.349 -11.705 1.00 0.01 C ATOM 1295 C ARG A 83 -5.351 0.014 -11.178 1.00 0.01 C ATOM 1296 O ARG A 83 -4.827 -0.074 -10.085 1.00 0.01 O ATOM 1297 CB ARG A 83 -4.704 2.126 -12.288 1.00 0.01 C ATOM 1298 CG ARG A 83 -5.215 3.338 -13.066 1.00 0.01 C ATOM 1299 CD ARG A 83 -4.037 4.028 -13.755 1.00 0.01 C ATOM 1300 NE ARG A 83 -3.375 3.071 -14.685 1.00 0.01 N ATOM 1301 CZ ARG A 83 -2.542 3.510 -15.589 1.00 0.01 C ATOM 1302 NH1 ARG A 83 -2.294 4.788 -15.682 1.00 0.01 N ATOM 1303 NH2 ARG A 83 -1.959 2.670 -16.400 1.00 0.01 N ATOM 0 H ARG A 83 -5.960 2.105 -9.704 1.00 0.01 H new ATOM 0 HA ARG A 83 -6.650 1.186 -12.466 1.00 0.01 H new ATOM 0 HB2 ARG A 83 -4.040 2.450 -11.487 1.00 0.01 H new ATOM 0 HB3 ARG A 83 -4.121 1.480 -12.944 1.00 0.01 H new ATOM 0 HG2 ARG A 83 -5.952 3.026 -13.806 1.00 0.01 H new ATOM 0 HG3 ARG A 83 -5.715 4.033 -12.392 1.00 0.01 H new ATOM 0 HD2 ARG A 83 -4.385 4.903 -14.304 1.00 0.01 H new ATOM 0 HD3 ARG A 83 -3.323 4.381 -13.011 1.00 0.01 H new ATOM 0 HE ARG A 83 -3.573 2.073 -14.615 1.00 0.01 H new ATOM 0 HH11 ARG A 83 -2.751 5.444 -15.048 1.00 0.01 H new ATOM 0 HH12 ARG A 83 -1.643 5.131 -16.388 1.00 0.01 H new ATOM 0 HH21 ARG A 83 -2.154 1.672 -16.327 1.00 0.01 H new ATOM 0 HH22 ARG A 83 -1.308 3.012 -17.107 1.00 0.01 H new ATOM 1317 N ALA A 84 -5.481 -1.030 -11.953 1.00 0.01 N ATOM 1318 CA ALA A 84 -4.982 -2.360 -11.506 1.00 0.01 C ATOM 1319 C ALA A 84 -3.463 -2.432 -11.695 1.00 0.01 C ATOM 1320 O ALA A 84 -2.937 -2.115 -12.744 1.00 0.00 O ATOM 1321 CB ALA A 84 -5.644 -3.458 -12.341 1.00 0.43 C ATOM 0 H ALA A 84 -5.912 -1.017 -12.877 1.00 0.01 H new ATOM 0 HA ALA A 84 -5.225 -2.500 -10.453 1.00 0.01 H new ATOM 0 HB1 ALA A 84 -5.280 -4.432 -12.015 1.00 0.43 H new ATOM 0 HB2 ALA A 84 -6.725 -3.412 -12.210 1.00 0.43 H new ATOM 0 HB3 ALA A 84 -5.399 -3.312 -13.393 1.00 0.43 H new ATOM 1327 N VAL A 85 -2.763 -2.876 -10.683 1.00 0.01 N ATOM 1328 CA VAL A 85 -1.280 -3.009 -10.780 1.00 0.01 C ATOM 1329 C VAL A 85 -0.948 -4.413 -11.284 1.00 0.01 C ATOM 1330 O VAL A 85 -1.363 -5.397 -10.705 1.00 0.01 O ATOM 1331 CB VAL A 85 -0.643 -2.798 -9.402 1.00 0.98 C ATOM 1332 CG1 VAL A 85 0.880 -2.702 -9.550 1.00 1.25 C ATOM 1333 CG2 VAL A 85 -1.177 -1.501 -8.782 1.00 1.12 C ATOM 0 H VAL A 85 -3.160 -3.154 -9.786 1.00 0.01 H new ATOM 0 HA VAL A 85 -0.889 -2.259 -11.467 1.00 0.01 H new ATOM 0 HB VAL A 85 -0.894 -3.640 -8.756 1.00 0.98 H new ATOM 0 HG11 VAL A 85 1.332 -2.552 -8.570 1.00 1.25 H new ATOM 0 HG12 VAL A 85 1.262 -3.624 -9.988 1.00 1.25 H new ATOM 0 HG13 VAL A 85 1.130 -1.862 -10.197 1.00 1.25 H new ATOM 0 HG21 VAL A 85 -0.723 -1.352 -7.802 1.00 1.12 H new ATOM 0 HG22 VAL A 85 -0.928 -0.659 -9.429 1.00 1.12 H new ATOM 0 HG23 VAL A 85 -2.260 -1.568 -8.674 1.00 1.12 H new ATOM 1343 N HIS A 86 -0.205 -4.528 -12.352 1.00 0.01 N ATOM 1344 CA HIS A 86 0.146 -5.882 -12.872 1.00 0.01 C ATOM 1345 C HIS A 86 1.487 -6.308 -12.279 1.00 0.01 C ATOM 1346 O HIS A 86 2.445 -5.561 -12.277 1.00 0.00 O ATOM 1347 CB HIS A 86 0.268 -5.827 -14.395 1.00 0.21 C ATOM 1348 CG HIS A 86 -0.966 -5.195 -14.975 1.00 0.71 C ATOM 1349 ND1 HIS A 86 -0.968 -3.902 -15.474 1.00 1.26 N ATOM 1350 CD2 HIS A 86 -2.244 -5.665 -15.143 1.00 1.20 C ATOM 1351 CE1 HIS A 86 -2.213 -3.641 -15.916 1.00 1.77 C ATOM 1352 NE2 HIS A 86 -3.031 -4.682 -15.737 1.00 1.71 N ATOM 0 H HIS A 86 0.173 -3.746 -12.886 1.00 0.01 H new ATOM 0 HA HIS A 86 -0.630 -6.595 -12.594 1.00 0.01 H new ATOM 0 HB2 HIS A 86 1.151 -5.254 -14.679 1.00 0.21 H new ATOM 0 HB3 HIS A 86 0.398 -6.832 -14.796 1.00 0.21 H new ATOM 0 HD2 HIS A 86 -2.587 -6.648 -14.858 1.00 1.20 H new ATOM 0 HE1 HIS A 86 -2.514 -2.704 -16.361 1.00 1.77 H new ATOM 0 HE2 HIS A 86 -4.019 -4.743 -15.983 1.00 1.71 H new ATOM 1360 N LEU A 87 1.560 -7.511 -11.776 1.00 0.01 N ATOM 1361 CA LEU A 87 2.832 -8.009 -11.178 1.00 0.01 C ATOM 1362 C LEU A 87 3.570 -8.846 -12.224 1.00 0.01 C ATOM 1363 O LEU A 87 2.971 -9.627 -12.937 1.00 0.01 O ATOM 1364 CB LEU A 87 2.502 -8.888 -9.961 1.00 0.67 C ATOM 1365 CG LEU A 87 1.318 -8.295 -9.195 1.00 1.25 C ATOM 1366 CD1 LEU A 87 1.065 -9.121 -7.932 1.00 1.63 C ATOM 1367 CD2 LEU A 87 1.639 -6.852 -8.802 1.00 1.34 C ATOM 0 H LEU A 87 0.786 -8.175 -11.754 1.00 0.01 H new ATOM 0 HA LEU A 87 3.456 -7.172 -10.865 1.00 0.01 H new ATOM 0 HB2 LEU A 87 2.265 -9.901 -10.287 1.00 0.67 H new ATOM 0 HB3 LEU A 87 3.371 -8.959 -9.307 1.00 0.67 H new ATOM 0 HG LEU A 87 0.430 -8.312 -9.826 1.00 1.25 H new ATOM 0 HD11 LEU A 87 0.222 -8.700 -7.385 1.00 1.63 H new ATOM 0 HD12 LEU A 87 0.840 -10.151 -8.210 1.00 1.63 H new ATOM 0 HD13 LEU A 87 1.953 -9.102 -7.301 1.00 1.63 H new ATOM 0 HD21 LEU A 87 0.796 -6.428 -8.256 1.00 1.34 H new ATOM 0 HD22 LEU A 87 2.526 -6.836 -8.169 1.00 1.34 H new ATOM 0 HD23 LEU A 87 1.823 -6.263 -9.700 1.00 1.34 H new ATOM 1379 N SER A 88 4.870 -8.712 -12.301 1.00 0.01 N ATOM 1380 CA SER A 88 5.674 -9.517 -13.269 1.00 0.01 C ATOM 1381 C SER A 88 6.518 -10.518 -12.482 1.00 0.01 C ATOM 1382 O SER A 88 7.298 -10.119 -11.641 1.00 0.01 O ATOM 1383 CB SER A 88 6.597 -8.594 -14.065 1.00 0.81 C ATOM 1384 OG SER A 88 5.818 -7.601 -14.719 1.00 1.08 O ATOM 0 H SER A 88 5.415 -8.070 -11.726 1.00 0.01 H new ATOM 0 HA SER A 88 5.011 -10.040 -13.958 1.00 0.01 H new ATOM 0 HB2 SER A 88 7.322 -8.124 -13.400 1.00 0.81 H new ATOM 0 HB3 SER A 88 7.162 -9.170 -14.798 1.00 0.81 H new ATOM 0 HG SER A 88 6.407 -7.006 -15.229 1.00 1.08 H new ATOM 1390 N SER A 89 6.432 -11.796 -12.761 1.00 0.01 N ATOM 1391 CA SER A 89 7.303 -12.782 -12.037 1.00 0.01 C ATOM 1392 C SER A 89 8.232 -13.420 -13.066 1.00 0.01 C ATOM 1393 O SER A 89 7.784 -13.828 -14.119 1.00 0.01 O ATOM 1394 CB SER A 89 6.459 -13.883 -11.394 1.00 0.43 C ATOM 1395 OG SER A 89 7.320 -14.849 -10.808 1.00 1.26 O ATOM 0 H SER A 89 5.802 -12.200 -13.454 1.00 0.01 H new ATOM 0 HA SER A 89 7.860 -12.269 -11.253 1.00 0.01 H new ATOM 0 HB2 SER A 89 5.801 -13.458 -10.636 1.00 0.43 H new ATOM 0 HB3 SER A 89 5.821 -14.353 -12.143 1.00 0.43 H new ATOM 0 HG SER A 89 6.784 -15.556 -10.393 1.00 1.26 H new ATOM 1401 N GLY A 90 9.519 -13.479 -12.830 1.00 0.01 N ATOM 1402 CA GLY A 90 10.406 -14.063 -13.897 1.00 0.00 C ATOM 1403 C GLY A 90 11.714 -14.664 -13.340 1.00 0.00 C ATOM 1404 O GLY A 90 12.041 -15.796 -13.637 1.00 0.01 O ATOM 0 H GLY A 90 9.986 -13.163 -11.980 1.00 0.01 H new ATOM 0 HA2 GLY A 90 9.857 -14.838 -14.432 1.00 0.00 H new ATOM 0 HA3 GLY A 90 10.651 -13.287 -14.622 1.00 0.00 H new ATOM 1408 N GLY A 91 12.478 -13.941 -12.549 1.00 0.00 N ATOM 1409 CA GLY A 91 13.739 -14.539 -12.031 1.00 0.00 C ATOM 1410 C GLY A 91 14.314 -13.708 -10.879 1.00 0.00 C ATOM 1411 O GLY A 91 13.798 -13.745 -9.779 1.00 0.01 O ATOM 0 H GLY A 91 12.283 -12.986 -12.249 1.00 0.00 H new ATOM 0 HA2 GLY A 91 13.549 -15.556 -11.689 1.00 0.00 H new ATOM 0 HA3 GLY A 91 14.471 -14.605 -12.836 1.00 0.00 H new ATOM 1415 N GLN A 92 15.379 -12.970 -11.103 1.00 1.80 N ATOM 1416 CA GLN A 92 15.989 -12.150 -9.999 1.00 2.31 C ATOM 1417 C GLN A 92 15.973 -10.662 -10.373 1.00 1.91 C ATOM 1418 O GLN A 92 16.577 -10.236 -11.338 1.00 2.31 O ATOM 1419 CB GLN A 92 17.422 -12.633 -9.769 1.00 2.11 C ATOM 1420 CG GLN A 92 18.079 -11.783 -8.680 1.00 2.86 C ATOM 1421 CD GLN A 92 19.386 -12.444 -8.234 1.00 3.70 C ATOM 1422 OE1 GLN A 92 19.514 -12.861 -7.100 1.00 3.99 O ATOM 1423 NE2 GLN A 92 20.369 -12.557 -9.086 1.00 4.43 N ATOM 0 H GLN A 92 15.854 -12.899 -12.003 1.00 1.80 H new ATOM 0 HA GLN A 92 15.412 -12.271 -9.082 1.00 2.31 H new ATOM 0 HB2 GLN A 92 17.420 -13.682 -9.474 1.00 2.11 H new ATOM 0 HB3 GLN A 92 17.994 -12.563 -10.694 1.00 2.11 H new ATOM 0 HG2 GLN A 92 18.277 -10.780 -9.057 1.00 2.86 H new ATOM 0 HG3 GLN A 92 17.404 -11.677 -7.830 1.00 2.86 H new ATOM 0 HE21 GLN A 92 20.262 -12.207 -10.038 1.00 4.43 H new ATOM 0 HE22 GLN A 92 21.244 -12.995 -8.800 1.00 4.43 H new ATOM 1432 N ALA A 93 15.267 -9.879 -9.598 1.00 0.01 N ATOM 1433 CA ALA A 93 15.184 -8.417 -9.888 1.00 0.01 C ATOM 1434 C ALA A 93 16.475 -7.731 -9.422 1.00 0.01 C ATOM 1435 O ALA A 93 16.924 -7.923 -8.310 1.00 0.01 O ATOM 1436 CB ALA A 93 13.993 -7.814 -9.142 1.00 2.99 C ATOM 0 H ALA A 93 14.745 -10.189 -8.778 1.00 0.01 H new ATOM 0 HA ALA A 93 15.056 -8.267 -10.960 1.00 0.01 H new ATOM 0 HB1 ALA A 93 13.933 -6.747 -9.354 1.00 2.99 H new ATOM 0 HB2 ALA A 93 13.074 -8.301 -9.469 1.00 2.99 H new ATOM 0 HB3 ALA A 93 14.121 -7.964 -8.070 1.00 2.99 H new ATOM 1442 N LYS A 94 17.075 -6.937 -10.275 1.00 0.00 N ATOM 1443 CA LYS A 94 18.347 -6.227 -9.912 1.00 0.01 C ATOM 1444 C LYS A 94 18.228 -4.744 -10.287 1.00 0.01 C ATOM 1445 O LYS A 94 17.656 -4.405 -11.305 1.00 0.01 O ATOM 1446 CB LYS A 94 19.493 -6.877 -10.691 1.00 2.49 C ATOM 1447 CG LYS A 94 20.827 -6.257 -10.261 1.00 3.43 C ATOM 1448 CD LYS A 94 21.981 -7.164 -10.698 1.00 4.11 C ATOM 1449 CE LYS A 94 22.029 -7.244 -12.227 1.00 5.23 C ATOM 1450 NZ LYS A 94 20.985 -8.192 -12.706 1.00 6.36 N ATOM 0 H LYS A 94 16.736 -6.747 -11.218 1.00 0.00 H new ATOM 0 HA LYS A 94 18.536 -6.301 -8.841 1.00 0.01 H new ATOM 0 HB2 LYS A 94 19.505 -7.952 -10.510 1.00 2.49 H new ATOM 0 HB3 LYS A 94 19.344 -6.736 -11.762 1.00 2.49 H new ATOM 0 HG2 LYS A 94 20.940 -5.268 -10.706 1.00 3.43 H new ATOM 0 HG3 LYS A 94 20.846 -6.124 -9.179 1.00 3.43 H new ATOM 0 HD2 LYS A 94 22.925 -6.776 -10.315 1.00 4.11 H new ATOM 0 HD3 LYS A 94 21.852 -8.161 -10.277 1.00 4.11 H new ATOM 0 HE2 LYS A 94 21.865 -6.257 -12.659 1.00 5.23 H new ATOM 0 HE3 LYS A 94 23.015 -7.576 -12.554 1.00 5.23 H new ATOM 0 HZ1 LYS A 94 21.386 -8.806 -13.443 1.00 6.36 H new ATOM 0 HZ2 LYS A 94 20.655 -8.775 -11.911 1.00 6.36 H new ATOM 0 HZ3 LYS A 94 20.184 -7.657 -13.099 1.00 6.36 H new ATOM 1464 N ILE A 95 18.751 -3.857 -9.466 1.00 0.00 N ATOM 1465 CA ILE A 95 18.654 -2.384 -9.771 1.00 0.01 C ATOM 1466 C ILE A 95 20.039 -1.737 -9.709 1.00 0.01 C ATOM 1467 O ILE A 95 20.881 -2.098 -8.906 1.00 0.01 O ATOM 1468 CB ILE A 95 17.727 -1.712 -8.750 1.00 0.34 C ATOM 1469 CG1 ILE A 95 17.723 -0.198 -8.985 1.00 0.30 C ATOM 1470 CG2 ILE A 95 18.216 -2.005 -7.329 1.00 0.36 C ATOM 1471 CD1 ILE A 95 16.551 0.433 -8.231 1.00 1.09 C ATOM 0 H ILE A 95 19.239 -4.087 -8.601 1.00 0.00 H new ATOM 0 HA ILE A 95 18.250 -2.255 -10.775 1.00 0.01 H new ATOM 0 HB ILE A 95 16.717 -2.105 -8.870 1.00 0.34 H new ATOM 0 HG12 ILE A 95 18.663 0.236 -8.645 1.00 0.30 H new ATOM 0 HG13 ILE A 95 17.640 0.015 -10.051 1.00 0.30 H new ATOM 0 HG21 ILE A 95 17.553 -1.525 -6.610 1.00 0.36 H new ATOM 0 HG22 ILE A 95 18.217 -3.082 -7.159 1.00 0.36 H new ATOM 0 HG23 ILE A 95 19.227 -1.618 -7.205 1.00 0.36 H new ATOM 0 HD11 ILE A 95 16.548 1.510 -8.398 1.00 1.09 H new ATOM 0 HD12 ILE A 95 15.615 0.007 -8.592 1.00 1.09 H new ATOM 0 HD13 ILE A 95 16.654 0.232 -7.165 1.00 1.09 H new ATOM 1483 N GLN A 96 20.255 -0.740 -10.536 1.00 0.01 N ATOM 1484 CA GLN A 96 21.547 0.012 -10.540 1.00 0.01 C ATOM 1485 C GLN A 96 21.231 1.494 -10.298 1.00 0.01 C ATOM 1486 O GLN A 96 20.356 2.049 -10.938 1.00 0.00 O ATOM 1487 CB GLN A 96 22.259 -0.159 -11.886 1.00 0.53 C ATOM 1488 CG GLN A 96 21.326 0.246 -13.027 1.00 0.82 C ATOM 1489 CD GLN A 96 21.923 -0.222 -14.355 1.00 1.25 C ATOM 1490 OE1 GLN A 96 22.332 0.584 -15.167 1.00 1.75 O ATOM 1491 NE2 GLN A 96 21.993 -1.500 -14.610 1.00 2.05 N ATOM 0 H GLN A 96 19.575 -0.411 -11.221 1.00 0.01 H new ATOM 0 HA GLN A 96 22.205 -0.370 -9.759 1.00 0.01 H new ATOM 0 HB2 GLN A 96 23.162 0.452 -11.909 1.00 0.53 H new ATOM 0 HB3 GLN A 96 22.572 -1.195 -12.012 1.00 0.53 H new ATOM 0 HG2 GLN A 96 20.341 -0.197 -12.881 1.00 0.82 H new ATOM 0 HG3 GLN A 96 21.191 1.328 -13.036 1.00 0.82 H new ATOM 0 HE21 GLN A 96 21.649 -2.176 -13.928 1.00 2.05 H new ATOM 0 HE22 GLN A 96 22.391 -1.823 -15.492 1.00 2.05 H new ATOM 1500 N VAL A 97 21.921 2.146 -9.391 1.00 0.01 N ATOM 1501 CA VAL A 97 21.646 3.600 -9.115 1.00 0.01 C ATOM 1502 C VAL A 97 22.938 4.413 -9.258 1.00 0.01 C ATOM 1503 O VAL A 97 24.023 3.925 -9.004 1.00 0.01 O ATOM 1504 CB VAL A 97 21.105 3.748 -7.690 1.00 0.77 C ATOM 1505 CG1 VAL A 97 19.898 2.827 -7.502 1.00 1.10 C ATOM 1506 CG2 VAL A 97 22.197 3.364 -6.688 1.00 1.03 C ATOM 0 H VAL A 97 22.665 1.736 -8.827 1.00 0.01 H new ATOM 0 HA VAL A 97 20.911 3.971 -9.830 1.00 0.01 H new ATOM 0 HB VAL A 97 20.803 4.782 -7.523 1.00 0.77 H new ATOM 0 HG11 VAL A 97 19.514 2.933 -6.487 1.00 1.10 H new ATOM 0 HG12 VAL A 97 19.119 3.098 -8.215 1.00 1.10 H new ATOM 0 HG13 VAL A 97 20.200 1.793 -7.669 1.00 1.10 H new ATOM 0 HG21 VAL A 97 21.813 3.469 -5.673 1.00 1.03 H new ATOM 0 HG22 VAL A 97 22.498 2.330 -6.857 1.00 1.03 H new ATOM 0 HG23 VAL A 97 23.058 4.019 -6.820 1.00 1.03 H new ATOM 1516 N PHE A 98 22.821 5.649 -9.695 1.00 0.01 N ATOM 1517 CA PHE A 98 24.035 6.514 -9.899 1.00 0.01 C ATOM 1518 C PHE A 98 23.980 7.762 -9.011 1.00 0.01 C ATOM 1519 O PHE A 98 22.937 8.344 -8.783 1.00 0.01 O ATOM 1520 CB PHE A 98 24.099 6.943 -11.365 1.00 0.25 C ATOM 1521 CG PHE A 98 24.411 5.742 -12.225 1.00 0.36 C ATOM 1522 CD1 PHE A 98 23.385 4.869 -12.606 1.00 0.42 C ATOM 1523 CD2 PHE A 98 25.726 5.503 -12.644 1.00 0.58 C ATOM 1524 CE1 PHE A 98 23.673 3.757 -13.406 1.00 0.56 C ATOM 1525 CE2 PHE A 98 26.013 4.391 -13.446 1.00 0.73 C ATOM 1526 CZ PHE A 98 24.987 3.519 -13.827 1.00 0.69 C ATOM 0 H PHE A 98 21.933 6.098 -9.920 1.00 0.01 H new ATOM 0 HA PHE A 98 24.921 5.939 -9.629 1.00 0.01 H new ATOM 0 HB2 PHE A 98 23.150 7.385 -11.668 1.00 0.25 H new ATOM 0 HB3 PHE A 98 24.864 7.708 -11.499 1.00 0.25 H new ATOM 0 HD1 PHE A 98 22.371 5.053 -12.283 1.00 0.42 H new ATOM 0 HD2 PHE A 98 26.518 6.175 -12.349 1.00 0.58 H new ATOM 0 HE1 PHE A 98 22.882 3.083 -13.698 1.00 0.56 H new ATOM 0 HE2 PHE A 98 27.026 4.207 -13.770 1.00 0.73 H new ATOM 0 HZ PHE A 98 25.209 2.662 -14.446 1.00 0.69 H new ATOM 1536 N GLU A 99 25.115 8.147 -8.489 1.00 0.01 N ATOM 1537 CA GLU A 99 25.179 9.331 -7.581 1.00 0.01 C ATOM 1538 C GLU A 99 24.881 10.631 -8.338 1.00 0.01 C ATOM 1539 O GLU A 99 24.348 11.564 -7.769 1.00 0.01 O ATOM 1540 CB GLU A 99 26.574 9.419 -6.959 1.00 0.01 C ATOM 1541 CG GLU A 99 26.625 10.596 -5.982 1.00 0.01 C ATOM 1542 CD GLU A 99 27.922 10.535 -5.172 1.00 0.01 C ATOM 1543 OE1 GLU A 99 28.741 9.678 -5.464 1.00 0.02 O ATOM 1544 OE2 GLU A 99 28.077 11.347 -4.274 1.00 0.01 O ATOM 0 H GLU A 99 26.010 7.687 -8.655 1.00 0.01 H new ATOM 0 HA GLU A 99 24.425 9.205 -6.804 1.00 0.01 H new ATOM 0 HB2 GLU A 99 26.811 8.491 -6.439 1.00 0.01 H new ATOM 0 HB3 GLU A 99 27.324 9.548 -7.739 1.00 0.01 H new ATOM 0 HG2 GLU A 99 26.569 11.538 -6.528 1.00 0.01 H new ATOM 0 HG3 GLU A 99 25.765 10.564 -5.313 1.00 0.01 H new ATOM 1551 N LYS A 100 25.220 10.713 -9.606 1.00 0.01 N ATOM 1552 CA LYS A 100 24.953 11.969 -10.388 1.00 0.01 C ATOM 1553 C LYS A 100 23.962 11.683 -11.516 1.00 0.01 C ATOM 1554 O LYS A 100 23.626 10.550 -11.795 1.00 0.01 O ATOM 1555 CB LYS A 100 26.259 12.506 -10.981 1.00 0.94 C ATOM 1556 CG LYS A 100 27.266 12.748 -9.855 1.00 1.63 C ATOM 1557 CD LYS A 100 28.643 13.046 -10.453 1.00 2.19 C ATOM 1558 CE LYS A 100 29.577 13.560 -9.355 1.00 2.84 C ATOM 1559 NZ LYS A 100 29.566 12.609 -8.209 1.00 3.18 N ATOM 0 H LYS A 100 25.670 9.965 -10.134 1.00 0.01 H new ATOM 0 HA LYS A 100 24.529 12.715 -9.716 1.00 0.01 H new ATOM 0 HB2 LYS A 100 26.665 11.794 -11.700 1.00 0.94 H new ATOM 0 HB3 LYS A 100 26.071 13.434 -11.522 1.00 0.94 H new ATOM 0 HG2 LYS A 100 26.939 13.583 -9.235 1.00 1.63 H new ATOM 0 HG3 LYS A 100 27.321 11.872 -9.208 1.00 1.63 H new ATOM 0 HD2 LYS A 100 29.057 12.145 -10.905 1.00 2.19 H new ATOM 0 HD3 LYS A 100 28.554 13.788 -11.246 1.00 2.19 H new ATOM 0 HE2 LYS A 100 30.590 13.666 -9.744 1.00 2.84 H new ATOM 0 HE3 LYS A 100 29.258 14.548 -9.024 1.00 2.84 H new ATOM 0 HZ1 LYS A 100 30.417 12.754 -7.629 1.00 3.18 H new ATOM 0 HZ2 LYS A 100 28.719 12.775 -7.629 1.00 3.18 H new ATOM 0 HZ3 LYS A 100 29.554 11.633 -8.568 1.00 3.18 H new ATOM 1573 N GLY A 101 23.485 12.714 -12.153 1.00 0.01 N ATOM 1574 CA GLY A 101 22.498 12.539 -13.258 1.00 0.01 C ATOM 1575 C GLY A 101 23.151 11.898 -14.487 1.00 0.00 C ATOM 1576 O GLY A 101 24.360 11.777 -14.584 1.00 0.01 O ATOM 0 H GLY A 101 23.738 13.682 -11.954 1.00 0.01 H new ATOM 0 HA2 GLY A 101 21.671 11.916 -12.916 1.00 0.01 H new ATOM 0 HA3 GLY A 101 22.077 13.507 -13.530 1.00 0.01 H new ATOM 1580 N ASP A 102 22.330 11.510 -15.433 1.00 0.01 N ATOM 1581 CA ASP A 102 22.820 10.900 -16.706 1.00 0.00 C ATOM 1582 C ASP A 102 23.759 9.727 -16.442 1.00 0.00 C ATOM 1583 O ASP A 102 24.732 9.520 -17.139 1.00 0.01 O ATOM 1584 CB ASP A 102 23.545 11.966 -17.530 1.00 0.01 C ATOM 1585 CG ASP A 102 23.774 11.448 -18.950 1.00 0.01 C ATOM 1586 OD1 ASP A 102 22.813 11.012 -19.563 1.00 0.01 O ATOM 1587 OD2 ASP A 102 24.907 11.494 -19.401 1.00 0.01 O ATOM 0 H ASP A 102 21.315 11.594 -15.372 1.00 0.01 H new ATOM 0 HA ASP A 102 21.959 10.520 -17.256 1.00 0.00 H new ATOM 0 HB2 ASP A 102 22.956 12.883 -17.557 1.00 0.01 H new ATOM 0 HB3 ASP A 102 24.499 12.214 -17.064 1.00 0.01 H new ATOM 1592 N PHE A 103 23.446 8.937 -15.455 1.00 0.01 N ATOM 1593 CA PHE A 103 24.275 7.745 -15.144 1.00 0.01 C ATOM 1594 C PHE A 103 25.745 8.127 -14.989 1.00 0.00 C ATOM 1595 O PHE A 103 26.620 7.489 -15.540 1.00 0.01 O ATOM 1596 CB PHE A 103 24.135 6.726 -16.277 1.00 0.01 C ATOM 1597 CG PHE A 103 22.679 6.596 -16.661 1.00 0.00 C ATOM 1598 CD1 PHE A 103 21.795 5.904 -15.825 1.00 0.01 C ATOM 1599 CD2 PHE A 103 22.210 7.167 -17.852 1.00 0.01 C ATOM 1600 CE1 PHE A 103 20.446 5.781 -16.178 1.00 0.01 C ATOM 1601 CE2 PHE A 103 20.861 7.045 -18.205 1.00 0.01 C ATOM 1602 CZ PHE A 103 19.979 6.352 -17.368 1.00 0.01 C ATOM 0 H PHE A 103 22.640 9.070 -14.844 1.00 0.01 H new ATOM 0 HA PHE A 103 23.928 7.316 -14.204 1.00 0.01 H new ATOM 0 HB2 PHE A 103 24.723 7.042 -17.139 1.00 0.01 H new ATOM 0 HB3 PHE A 103 24.527 5.759 -15.961 1.00 0.01 H new ATOM 0 HD1 PHE A 103 22.154 5.464 -14.906 1.00 0.01 H new ATOM 0 HD2 PHE A 103 22.890 7.702 -18.498 1.00 0.01 H new ATOM 0 HE1 PHE A 103 19.765 5.246 -15.532 1.00 0.01 H new ATOM 0 HE2 PHE A 103 20.501 7.486 -19.123 1.00 0.01 H new ATOM 0 HZ PHE A 103 18.938 6.258 -17.640 1.00 0.01 H new ATOM 1612 N ASN A 104 26.022 9.145 -14.217 1.00 0.00 N ATOM 1613 CA ASN A 104 27.439 9.569 -13.979 1.00 0.01 C ATOM 1614 C ASN A 104 27.703 9.546 -12.471 1.00 0.01 C ATOM 1615 O ASN A 104 26.788 9.469 -11.674 1.00 0.01 O ATOM 1616 CB ASN A 104 27.649 10.990 -14.505 1.00 1.68 C ATOM 1617 CG ASN A 104 29.081 11.440 -14.204 1.00 2.31 C ATOM 1618 OD1 ASN A 104 29.992 10.637 -14.193 1.00 3.15 O ATOM 1619 ND2 ASN A 104 29.318 12.699 -13.958 1.00 2.38 N ATOM 0 H ASN A 104 25.321 9.708 -13.735 1.00 0.00 H new ATOM 0 HA ASN A 104 28.121 8.893 -14.496 1.00 0.01 H new ATOM 0 HB2 ASN A 104 27.464 11.023 -15.579 1.00 1.68 H new ATOM 0 HB3 ASN A 104 26.937 11.671 -14.038 1.00 1.68 H new ATOM 0 HD21 ASN A 104 30.269 13.009 -13.756 1.00 2.38 H new ATOM 0 HD22 ASN A 104 28.553 13.373 -13.967 1.00 2.38 H new ATOM 1626 N GLY A 105 28.946 9.589 -12.069 1.00 0.01 N ATOM 1627 CA GLY A 105 29.260 9.558 -10.607 1.00 0.01 C ATOM 1628 C GLY A 105 29.471 8.111 -10.163 1.00 0.01 C ATOM 1629 O GLY A 105 29.660 7.228 -10.975 1.00 0.01 O ATOM 0 H GLY A 105 29.756 9.644 -12.686 1.00 0.01 H new ATOM 0 HA2 GLY A 105 30.155 10.146 -10.404 1.00 0.01 H new ATOM 0 HA3 GLY A 105 28.446 10.009 -10.039 1.00 0.01 H new ATOM 1633 N GLN A 106 29.429 7.852 -8.884 1.00 0.01 N ATOM 1634 CA GLN A 106 29.616 6.456 -8.403 1.00 0.01 C ATOM 1635 C GLN A 106 28.327 5.668 -8.639 1.00 0.01 C ATOM 1636 O GLN A 106 27.234 6.188 -8.526 1.00 0.01 O ATOM 1637 CB GLN A 106 29.939 6.475 -6.908 1.00 0.01 C ATOM 1638 CG GLN A 106 30.300 5.063 -6.444 1.00 0.01 C ATOM 1639 CD GLN A 106 30.887 5.125 -5.032 1.00 0.01 C ATOM 1640 OE1 GLN A 106 30.494 5.953 -4.235 1.00 0.01 O ATOM 1641 NE2 GLN A 106 31.818 4.278 -4.686 1.00 0.01 N ATOM 0 H GLN A 106 29.273 8.547 -8.153 1.00 0.01 H new ATOM 0 HA GLN A 106 30.436 5.985 -8.944 1.00 0.01 H new ATOM 0 HB2 GLN A 106 30.768 7.156 -6.713 1.00 0.01 H new ATOM 0 HB3 GLN A 106 29.082 6.846 -6.345 1.00 0.01 H new ATOM 0 HG2 GLN A 106 29.414 4.428 -6.454 1.00 0.01 H new ATOM 0 HG3 GLN A 106 31.020 4.616 -7.130 1.00 0.01 H new ATOM 0 HE21 GLN A 106 32.149 3.582 -5.355 1.00 0.01 H new ATOM 0 HE22 GLN A 106 32.215 4.312 -3.747 1.00 0.01 H new ATOM 1650 N MET A 107 28.462 4.410 -8.977 1.00 0.01 N ATOM 1651 CA MET A 107 27.265 3.548 -9.240 1.00 0.01 C ATOM 1652 C MET A 107 27.202 2.420 -8.210 1.00 0.01 C ATOM 1653 O MET A 107 28.207 1.857 -7.823 1.00 0.01 O ATOM 1654 CB MET A 107 27.378 2.939 -10.640 1.00 0.00 C ATOM 1655 CG MET A 107 26.047 2.291 -11.026 1.00 0.01 C ATOM 1656 SD MET A 107 26.298 1.212 -12.458 1.00 0.01 S ATOM 1657 CE MET A 107 26.670 -0.301 -11.540 1.00 0.01 C ATOM 0 H MET A 107 29.359 3.937 -9.083 1.00 0.01 H new ATOM 0 HA MET A 107 26.363 4.156 -9.169 1.00 0.01 H new ATOM 0 HB2 MET A 107 27.642 3.711 -11.363 1.00 0.00 H new ATOM 0 HB3 MET A 107 28.175 2.196 -10.661 1.00 0.00 H new ATOM 0 HG2 MET A 107 25.653 1.716 -10.188 1.00 0.01 H new ATOM 0 HG3 MET A 107 25.310 3.059 -11.260 1.00 0.01 H new ATOM 0 HE1 MET A 107 26.862 -1.114 -12.241 1.00 0.01 H new ATOM 0 HE2 MET A 107 27.551 -0.142 -10.919 1.00 0.01 H new ATOM 0 HE3 MET A 107 25.822 -0.560 -10.907 1.00 0.01 H new ATOM 1667 N TYR A 108 26.013 2.079 -7.780 1.00 0.01 N ATOM 1668 CA TYR A 108 25.831 0.976 -6.787 1.00 0.00 C ATOM 1669 C TYR A 108 24.724 0.042 -7.297 1.00 0.01 C ATOM 1670 O TYR A 108 23.706 0.482 -7.793 1.00 0.01 O ATOM 1671 CB TYR A 108 25.418 1.561 -5.435 1.00 0.54 C ATOM 1672 CG TYR A 108 26.622 2.172 -4.758 1.00 0.60 C ATOM 1673 CD1 TYR A 108 27.521 1.356 -4.060 1.00 1.24 C ATOM 1674 CD2 TYR A 108 26.840 3.553 -4.827 1.00 0.93 C ATOM 1675 CE1 TYR A 108 28.637 1.921 -3.433 1.00 1.76 C ATOM 1676 CE2 TYR A 108 27.955 4.118 -4.199 1.00 1.51 C ATOM 1677 CZ TYR A 108 28.854 3.303 -3.502 1.00 1.82 C ATOM 1678 OH TYR A 108 29.954 3.860 -2.883 1.00 2.48 O ATOM 0 H TYR A 108 25.147 2.526 -8.080 1.00 0.01 H new ATOM 0 HA TYR A 108 26.764 0.426 -6.666 1.00 0.00 H new ATOM 0 HB2 TYR A 108 24.645 2.316 -5.575 1.00 0.54 H new ATOM 0 HB3 TYR A 108 24.991 0.781 -4.805 1.00 0.54 H new ATOM 0 HD1 TYR A 108 27.353 0.291 -4.006 1.00 1.24 H new ATOM 0 HD2 TYR A 108 26.147 4.183 -5.365 1.00 0.93 H new ATOM 0 HE1 TYR A 108 29.331 1.292 -2.896 1.00 1.76 H new ATOM 0 HE2 TYR A 108 28.122 5.184 -4.252 1.00 1.51 H new ATOM 0 HH TYR A 108 29.947 4.831 -3.015 1.00 2.48 H new ATOM 1688 N GLU A 109 24.938 -1.246 -7.202 1.00 0.01 N ATOM 1689 CA GLU A 109 23.932 -2.245 -7.700 1.00 0.01 C ATOM 1690 C GLU A 109 23.497 -3.162 -6.554 1.00 0.01 C ATOM 1691 O GLU A 109 24.312 -3.638 -5.787 1.00 0.01 O ATOM 1692 CB GLU A 109 24.597 -3.069 -8.804 1.00 0.01 C ATOM 1693 CG GLU A 109 23.538 -3.885 -9.549 1.00 0.01 C ATOM 1694 CD GLU A 109 24.169 -4.520 -10.789 1.00 0.00 C ATOM 1695 OE1 GLU A 109 25.356 -4.799 -10.747 1.00 0.00 O ATOM 1696 OE2 GLU A 109 23.456 -4.716 -11.759 1.00 0.00 O ATOM 0 H GLU A 109 25.778 -1.657 -6.795 1.00 0.01 H new ATOM 0 HA GLU A 109 23.049 -1.736 -8.086 1.00 0.01 H new ATOM 0 HB2 GLU A 109 25.118 -2.410 -9.499 1.00 0.01 H new ATOM 0 HB3 GLU A 109 25.346 -3.734 -8.374 1.00 0.01 H new ATOM 0 HG2 GLU A 109 23.133 -4.658 -8.896 1.00 0.01 H new ATOM 0 HG3 GLU A 109 22.705 -3.244 -9.838 1.00 0.01 H new ATOM 1703 N THR A 110 22.215 -3.417 -6.422 1.00 0.01 N ATOM 1704 CA THR A 110 21.744 -4.303 -5.310 1.00 0.00 C ATOM 1705 C THR A 110 20.490 -5.082 -5.728 1.00 0.01 C ATOM 1706 O THR A 110 19.713 -4.655 -6.563 1.00 0.01 O ATOM 1707 CB THR A 110 21.416 -3.457 -4.076 1.00 1.21 C ATOM 1708 OG1 THR A 110 20.877 -4.291 -3.060 1.00 1.65 O ATOM 1709 CG2 THR A 110 20.397 -2.380 -4.448 1.00 1.69 C ATOM 0 H THR A 110 21.482 -3.053 -7.030 1.00 0.01 H new ATOM 0 HA THR A 110 22.541 -5.010 -5.078 1.00 0.00 H new ATOM 0 HB THR A 110 22.326 -2.981 -3.711 1.00 1.21 H new ATOM 0 HG1 THR A 110 20.669 -3.751 -2.270 1.00 1.65 H new ATOM 0 HG21 THR A 110 20.165 -1.779 -3.569 1.00 1.69 H new ATOM 0 HG22 THR A 110 20.812 -1.739 -5.226 1.00 1.69 H new ATOM 0 HG23 THR A 110 19.486 -2.852 -4.815 1.00 1.69 H new ATOM 1717 N THR A 111 20.312 -6.241 -5.144 1.00 0.00 N ATOM 1718 CA THR A 111 19.133 -7.111 -5.468 1.00 0.01 C ATOM 1719 C THR A 111 18.173 -7.189 -4.271 1.00 0.01 C ATOM 1720 O THR A 111 17.260 -7.992 -4.263 1.00 0.01 O ATOM 1721 CB THR A 111 19.632 -8.518 -5.802 1.00 0.01 C ATOM 1722 OG1 THR A 111 19.931 -9.210 -4.598 1.00 0.01 O ATOM 1723 CG2 THR A 111 20.892 -8.423 -6.663 1.00 0.01 C ATOM 0 H THR A 111 20.944 -6.630 -4.444 1.00 0.00 H new ATOM 0 HA THR A 111 18.600 -6.684 -6.318 1.00 0.01 H new ATOM 0 HB THR A 111 18.860 -9.057 -6.350 1.00 0.01 H new ATOM 0 HG1 THR A 111 20.249 -10.112 -4.810 1.00 0.01 H new ATOM 0 HG21 THR A 111 21.247 -9.426 -6.900 1.00 0.01 H new ATOM 0 HG22 THR A 111 20.662 -7.891 -7.586 1.00 0.01 H new ATOM 0 HG23 THR A 111 21.666 -7.884 -6.117 1.00 0.01 H new ATOM 1731 N GLU A 112 18.389 -6.394 -3.246 1.00 0.01 N ATOM 1732 CA GLU A 112 17.504 -6.459 -2.029 1.00 0.01 C ATOM 1733 C GLU A 112 16.822 -5.111 -1.763 1.00 0.01 C ATOM 1734 O GLU A 112 17.244 -4.082 -2.249 1.00 0.01 O ATOM 1735 CB GLU A 112 18.362 -6.824 -0.817 1.00 0.85 C ATOM 1736 CG GLU A 112 19.181 -8.080 -1.128 1.00 1.61 C ATOM 1737 CD GLU A 112 19.807 -8.617 0.161 1.00 2.51 C ATOM 1738 OE1 GLU A 112 19.561 -8.035 1.204 1.00 3.07 O ATOM 1739 OE2 GLU A 112 20.522 -9.604 0.082 1.00 3.21 O ATOM 0 H GLU A 112 19.138 -5.703 -3.197 1.00 0.01 H new ATOM 0 HA GLU A 112 16.732 -7.208 -2.202 1.00 0.01 H new ATOM 0 HB2 GLU A 112 19.026 -5.997 -0.567 1.00 0.85 H new ATOM 0 HB3 GLU A 112 17.727 -6.997 0.052 1.00 0.85 H new ATOM 0 HG2 GLU A 112 18.543 -8.840 -1.578 1.00 1.61 H new ATOM 0 HG3 GLU A 112 19.961 -7.848 -1.853 1.00 1.61 H new ATOM 1746 N ASP A 113 15.782 -5.120 -0.962 1.00 0.01 N ATOM 1747 CA ASP A 113 15.068 -3.853 -0.616 1.00 0.01 C ATOM 1748 C ASP A 113 16.001 -2.990 0.234 1.00 0.00 C ATOM 1749 O ASP A 113 16.892 -3.492 0.891 1.00 0.01 O ATOM 1750 CB ASP A 113 13.816 -4.184 0.198 1.00 0.01 C ATOM 1751 CG ASP A 113 12.810 -4.926 -0.684 1.00 0.01 C ATOM 1752 OD1 ASP A 113 13.120 -5.149 -1.843 1.00 0.00 O ATOM 1753 OD2 ASP A 113 11.746 -5.257 -0.186 1.00 0.00 O ATOM 0 H ASP A 113 15.396 -5.960 -0.530 1.00 0.01 H new ATOM 0 HA ASP A 113 14.782 -3.323 -1.525 1.00 0.01 H new ATOM 0 HB2 ASP A 113 14.082 -4.798 1.059 1.00 0.01 H new ATOM 0 HB3 ASP A 113 13.369 -3.268 0.585 1.00 0.01 H new ATOM 1758 N CYS A 114 15.782 -1.693 0.249 1.00 0.01 N ATOM 1759 CA CYS A 114 16.628 -0.783 1.082 1.00 0.01 C ATOM 1760 C CYS A 114 15.710 0.052 2.002 1.00 0.01 C ATOM 1761 O CYS A 114 14.961 0.875 1.506 1.00 0.01 O ATOM 1762 CB CYS A 114 17.385 0.171 0.157 1.00 0.01 C ATOM 1763 SG CYS A 114 18.569 1.135 1.127 1.00 0.01 S ATOM 0 H CYS A 114 15.048 -1.226 -0.284 1.00 0.01 H new ATOM 0 HA CYS A 114 17.328 -1.368 1.678 1.00 0.01 H new ATOM 0 HB2 CYS A 114 17.906 -0.392 -0.617 1.00 0.01 H new ATOM 0 HB3 CYS A 114 16.685 0.836 -0.349 1.00 0.01 H new ATOM 0 HG CYS A 114 19.706 0.507 1.173 1.00 0.01 H new ATOM 1769 N PRO A 115 15.761 -0.109 3.319 1.00 0.01 N ATOM 1770 CA PRO A 115 14.901 0.718 4.215 1.00 0.01 C ATOM 1771 C PRO A 115 15.467 2.137 4.370 1.00 0.01 C ATOM 1772 O PRO A 115 14.734 3.090 4.543 1.00 0.01 O ATOM 1773 CB PRO A 115 14.962 -0.062 5.537 1.00 0.01 C ATOM 1774 CG PRO A 115 16.197 -0.979 5.483 1.00 0.01 C ATOM 1775 CD PRO A 115 16.637 -1.107 4.010 1.00 0.01 C ATOM 0 HA PRO A 115 13.886 0.860 3.843 1.00 0.01 H new ATOM 0 HB2 PRO A 115 15.031 0.623 6.382 1.00 0.01 H new ATOM 0 HB3 PRO A 115 14.055 -0.650 5.676 1.00 0.01 H new ATOM 0 HG2 PRO A 115 17.005 -0.565 6.087 1.00 0.01 H new ATOM 0 HG3 PRO A 115 15.961 -1.960 5.896 1.00 0.01 H new ATOM 0 HD2 PRO A 115 17.694 -0.876 3.881 1.00 0.01 H new ATOM 0 HD3 PRO A 115 16.482 -2.116 3.627 1.00 0.01 H new ATOM 1783 N SER A 116 16.766 2.278 4.320 1.00 0.01 N ATOM 1784 CA SER A 116 17.390 3.626 4.467 1.00 0.02 C ATOM 1785 C SER A 116 18.578 3.719 3.510 1.00 0.01 C ATOM 1786 O SER A 116 19.601 3.090 3.698 1.00 0.00 O ATOM 1787 CB SER A 116 17.868 3.810 5.907 1.00 0.01 C ATOM 1788 OG SER A 116 18.519 5.067 6.028 1.00 0.01 O ATOM 0 H SER A 116 17.425 1.512 4.183 1.00 0.01 H new ATOM 0 HA SER A 116 16.665 4.405 4.232 1.00 0.02 H new ATOM 0 HB2 SER A 116 17.022 3.758 6.593 1.00 0.01 H new ATOM 0 HB3 SER A 116 18.551 3.006 6.181 1.00 0.01 H new ATOM 0 HG SER A 116 18.826 5.189 6.951 1.00 0.01 H new ATOM 1794 N ILE A 117 18.425 4.479 2.462 1.00 0.01 N ATOM 1795 CA ILE A 117 19.512 4.602 1.450 1.00 0.01 C ATOM 1796 C ILE A 117 20.746 5.276 2.052 1.00 0.01 C ATOM 1797 O ILE A 117 21.860 4.913 1.737 1.00 0.00 O ATOM 1798 CB ILE A 117 18.988 5.413 0.258 1.00 0.57 C ATOM 1799 CG1 ILE A 117 18.011 4.541 -0.534 1.00 1.44 C ATOM 1800 CG2 ILE A 117 20.146 5.833 -0.657 1.00 0.93 C ATOM 1801 CD1 ILE A 117 17.282 5.394 -1.567 1.00 1.83 C ATOM 0 H ILE A 117 17.587 5.025 2.261 1.00 0.01 H new ATOM 0 HA ILE A 117 19.808 3.607 1.118 1.00 0.01 H new ATOM 0 HB ILE A 117 18.490 6.311 0.624 1.00 0.57 H new ATOM 0 HG12 ILE A 117 18.549 3.733 -1.030 1.00 1.44 H new ATOM 0 HG13 ILE A 117 17.292 4.077 0.142 1.00 1.44 H new ATOM 0 HG21 ILE A 117 19.756 6.407 -1.497 1.00 0.93 H new ATOM 0 HG22 ILE A 117 20.850 6.446 -0.094 1.00 0.93 H new ATOM 0 HG23 ILE A 117 20.655 4.945 -1.030 1.00 0.93 H new ATOM 0 HD11 ILE A 117 16.587 4.770 -2.129 1.00 1.83 H new ATOM 0 HD12 ILE A 117 16.730 6.186 -1.061 1.00 1.83 H new ATOM 0 HD13 ILE A 117 18.007 5.836 -2.250 1.00 1.83 H new ATOM 1813 N MET A 118 20.569 6.263 2.887 1.00 0.02 N ATOM 1814 CA MET A 118 21.762 6.948 3.456 1.00 0.01 C ATOM 1815 C MET A 118 22.524 5.987 4.366 1.00 0.01 C ATOM 1816 O MET A 118 23.735 5.975 4.386 1.00 0.02 O ATOM 1817 CB MET A 118 21.336 8.192 4.245 1.00 0.24 C ATOM 1818 CG MET A 118 22.571 8.950 4.740 1.00 0.63 C ATOM 1819 SD MET A 118 23.208 8.161 6.240 1.00 1.20 S ATOM 1820 CE MET A 118 24.106 9.595 6.886 1.00 1.34 C ATOM 0 H MET A 118 19.665 6.620 3.196 1.00 0.02 H new ATOM 0 HA MET A 118 22.413 7.260 2.639 1.00 0.01 H new ATOM 0 HB2 MET A 118 20.729 8.842 3.614 1.00 0.24 H new ATOM 0 HB3 MET A 118 20.715 7.900 5.092 1.00 0.24 H new ATOM 0 HG2 MET A 118 23.339 8.958 3.967 1.00 0.63 H new ATOM 0 HG3 MET A 118 22.314 9.989 4.945 1.00 0.63 H new ATOM 0 HE1 MET A 118 24.587 9.329 7.828 1.00 1.34 H new ATOM 0 HE2 MET A 118 24.864 9.904 6.166 1.00 1.34 H new ATOM 0 HE3 MET A 118 23.409 10.416 7.054 1.00 1.34 H new ATOM 1830 N GLU A 119 21.846 5.174 5.115 1.00 0.01 N ATOM 1831 CA GLU A 119 22.576 4.234 6.005 1.00 0.02 C ATOM 1832 C GLU A 119 23.302 3.187 5.161 1.00 0.02 C ATOM 1833 O GLU A 119 24.385 2.748 5.492 1.00 0.01 O ATOM 1834 CB GLU A 119 21.580 3.536 6.933 1.00 0.30 C ATOM 1835 CG GLU A 119 22.340 2.837 8.063 1.00 0.99 C ATOM 1836 CD GLU A 119 22.865 3.884 9.046 1.00 1.69 C ATOM 1837 OE1 GLU A 119 22.059 4.450 9.767 1.00 2.11 O ATOM 1838 OE2 GLU A 119 24.065 4.102 9.062 1.00 2.07 O ATOM 0 H GLU A 119 20.828 5.117 5.152 1.00 0.01 H new ATOM 0 HA GLU A 119 23.303 4.788 6.598 1.00 0.02 H new ATOM 0 HB2 GLU A 119 20.880 4.263 7.346 1.00 0.30 H new ATOM 0 HB3 GLU A 119 20.991 2.810 6.372 1.00 0.30 H new ATOM 0 HG2 GLU A 119 21.684 2.136 8.578 1.00 0.99 H new ATOM 0 HG3 GLU A 119 23.168 2.258 7.655 1.00 0.99 H new ATOM 1845 N GLN A 120 22.687 2.742 4.100 1.00 0.00 N ATOM 1846 CA GLN A 120 23.311 1.677 3.263 1.00 0.01 C ATOM 1847 C GLN A 120 24.376 2.234 2.311 1.00 0.01 C ATOM 1848 O GLN A 120 25.433 1.655 2.153 1.00 0.01 O ATOM 1849 CB GLN A 120 22.221 0.988 2.440 1.00 0.52 C ATOM 1850 CG GLN A 120 22.835 -0.169 1.649 1.00 1.07 C ATOM 1851 CD GLN A 120 21.722 -1.074 1.117 1.00 1.08 C ATOM 1852 OE1 GLN A 120 20.600 -0.640 0.945 1.00 0.98 O ATOM 1853 NE2 GLN A 120 21.987 -2.323 0.846 1.00 2.08 N ATOM 0 H GLN A 120 21.777 3.070 3.775 1.00 0.00 H new ATOM 0 HA GLN A 120 23.801 0.972 3.935 1.00 0.01 H new ATOM 0 HB2 GLN A 120 21.434 0.617 3.097 1.00 0.52 H new ATOM 0 HB3 GLN A 120 21.758 1.702 1.760 1.00 0.52 H new ATOM 0 HG2 GLN A 120 23.430 0.218 0.822 1.00 1.07 H new ATOM 0 HG3 GLN A 120 23.509 -0.741 2.286 1.00 1.07 H new ATOM 0 HE21 GLN A 120 22.929 -2.687 0.990 1.00 2.08 H new ATOM 0 HE22 GLN A 120 21.252 -2.935 0.490 1.00 2.08 H new ATOM 1862 N PHE A 121 24.077 3.309 1.618 1.00 0.02 N ATOM 1863 CA PHE A 121 25.044 3.856 0.605 1.00 0.01 C ATOM 1864 C PHE A 121 25.628 5.213 1.012 1.00 0.01 C ATOM 1865 O PHE A 121 26.436 5.778 0.301 1.00 0.01 O ATOM 1866 CB PHE A 121 24.311 3.996 -0.728 1.00 0.01 C ATOM 1867 CG PHE A 121 23.833 2.632 -1.170 1.00 0.01 C ATOM 1868 CD1 PHE A 121 24.719 1.749 -1.799 1.00 0.01 C ATOM 1869 CD2 PHE A 121 22.504 2.249 -0.946 1.00 0.01 C ATOM 1870 CE1 PHE A 121 24.276 0.483 -2.203 1.00 0.01 C ATOM 1871 CE2 PHE A 121 22.063 0.983 -1.349 1.00 0.01 C ATOM 1872 CZ PHE A 121 22.949 0.100 -1.977 1.00 0.01 C ATOM 0 H PHE A 121 23.206 3.832 1.709 1.00 0.02 H new ATOM 0 HA PHE A 121 25.882 3.163 0.530 1.00 0.01 H new ATOM 0 HB2 PHE A 121 23.466 4.676 -0.624 1.00 0.01 H new ATOM 0 HB3 PHE A 121 24.974 4.425 -1.479 1.00 0.01 H new ATOM 0 HD1 PHE A 121 25.743 2.044 -1.973 1.00 0.01 H new ATOM 0 HD2 PHE A 121 21.820 2.930 -0.462 1.00 0.01 H new ATOM 0 HE1 PHE A 121 24.959 -0.198 -2.689 1.00 0.01 H new ATOM 0 HE2 PHE A 121 21.039 0.688 -1.175 1.00 0.01 H new ATOM 0 HZ PHE A 121 22.609 -0.877 -2.287 1.00 0.01 H new ATOM 1882 N HIS A 122 25.239 5.751 2.135 1.00 0.01 N ATOM 1883 CA HIS A 122 25.782 7.074 2.559 1.00 0.01 C ATOM 1884 C HIS A 122 25.405 8.146 1.530 1.00 0.01 C ATOM 1885 O HIS A 122 26.160 9.065 1.277 1.00 0.02 O ATOM 1886 CB HIS A 122 27.306 6.980 2.695 1.00 0.01 C ATOM 1887 CG HIS A 122 27.674 5.645 3.280 1.00 0.01 C ATOM 1888 ND1 HIS A 122 28.048 4.571 2.490 1.00 0.01 N ATOM 1889 CD2 HIS A 122 27.731 5.197 4.575 1.00 0.01 C ATOM 1890 CE1 HIS A 122 28.312 3.538 3.311 1.00 0.00 C ATOM 1891 NE2 HIS A 122 28.135 3.866 4.594 1.00 0.01 N ATOM 0 H HIS A 122 24.568 5.332 2.779 1.00 0.01 H new ATOM 0 HA HIS A 122 25.355 7.351 3.523 1.00 0.01 H new ATOM 0 HB2 HIS A 122 27.777 7.105 1.720 1.00 0.01 H new ATOM 0 HB3 HIS A 122 27.675 7.783 3.333 1.00 0.01 H new ATOM 0 HD2 HIS A 122 27.498 5.788 5.448 1.00 0.01 H new ATOM 0 HE1 HIS A 122 28.629 2.562 2.974 1.00 0.00 H new ATOM 0 HE2 HIS A 122 28.267 3.270 5.411 1.00 0.01 H new ATOM 1899 N LEU A 123 24.236 8.033 0.937 1.00 0.01 N ATOM 1900 CA LEU A 123 23.789 9.045 -0.083 1.00 0.01 C ATOM 1901 C LEU A 123 22.579 9.810 0.462 1.00 0.02 C ATOM 1902 O LEU A 123 21.673 9.232 1.030 1.00 0.01 O ATOM 1903 CB LEU A 123 23.394 8.327 -1.378 1.00 0.01 C ATOM 1904 CG LEU A 123 24.499 7.353 -1.793 1.00 0.01 C ATOM 1905 CD1 LEU A 123 24.049 6.577 -3.033 1.00 0.01 C ATOM 1906 CD2 LEU A 123 25.782 8.131 -2.113 1.00 0.01 C ATOM 0 H LEU A 123 23.570 7.282 1.115 1.00 0.01 H new ATOM 0 HA LEU A 123 24.603 9.741 -0.288 1.00 0.01 H new ATOM 0 HB2 LEU A 123 22.458 7.788 -1.234 1.00 0.01 H new ATOM 0 HB3 LEU A 123 23.223 9.056 -2.170 1.00 0.01 H new ATOM 0 HG LEU A 123 24.695 6.658 -0.977 1.00 0.01 H new ATOM 0 HD11 LEU A 123 24.834 5.882 -3.332 1.00 0.01 H new ATOM 0 HD12 LEU A 123 23.140 6.021 -2.804 1.00 0.01 H new ATOM 0 HD13 LEU A 123 23.853 7.274 -3.847 1.00 0.01 H new ATOM 0 HD21 LEU A 123 26.566 7.434 -2.408 1.00 0.01 H new ATOM 0 HD22 LEU A 123 25.591 8.828 -2.929 1.00 0.01 H new ATOM 0 HD23 LEU A 123 26.102 8.684 -1.230 1.00 0.01 H new ATOM 1918 N ARG A 124 22.565 11.110 0.308 1.00 0.01 N ATOM 1919 CA ARG A 124 21.422 11.918 0.834 1.00 0.00 C ATOM 1920 C ARG A 124 20.328 12.078 -0.229 1.00 0.01 C ATOM 1921 O ARG A 124 19.188 12.358 0.085 1.00 0.01 O ATOM 1922 CB ARG A 124 21.928 13.303 1.242 1.00 1.67 C ATOM 1923 CG ARG A 124 22.838 13.178 2.466 1.00 1.98 C ATOM 1924 CD ARG A 124 23.419 14.550 2.813 1.00 2.92 C ATOM 1925 NE ARG A 124 24.041 14.499 4.165 1.00 3.54 N ATOM 1926 CZ ARG A 124 24.849 15.451 4.548 1.00 4.57 C ATOM 1927 NH1 ARG A 124 25.110 16.447 3.748 1.00 5.25 N ATOM 1928 NH2 ARG A 124 25.395 15.404 5.732 1.00 5.32 N ATOM 0 H ARG A 124 23.296 11.647 -0.159 1.00 0.01 H new ATOM 0 HA ARG A 124 21.000 11.399 1.695 1.00 0.00 H new ATOM 0 HB2 ARG A 124 22.473 13.760 0.416 1.00 1.67 H new ATOM 0 HB3 ARG A 124 21.086 13.957 1.468 1.00 1.67 H new ATOM 0 HG2 ARG A 124 22.275 12.785 3.312 1.00 1.98 H new ATOM 0 HG3 ARG A 124 23.643 12.471 2.263 1.00 1.98 H new ATOM 0 HD2 ARG A 124 24.162 14.840 2.070 1.00 2.92 H new ATOM 0 HD3 ARG A 124 22.634 15.305 2.791 1.00 2.92 H new ATOM 0 HE ARG A 124 23.836 13.721 4.792 1.00 3.54 H new ATOM 0 HH11 ARG A 124 24.683 16.483 2.822 1.00 5.25 H new ATOM 0 HH12 ARG A 124 25.741 17.190 4.048 1.00 5.25 H new ATOM 0 HH21 ARG A 124 25.191 14.624 6.357 1.00 5.32 H new ATOM 0 HH22 ARG A 124 26.026 16.147 6.032 1.00 5.32 H new ATOM 1942 N GLU A 125 20.664 11.929 -1.486 1.00 0.01 N ATOM 1943 CA GLU A 125 19.637 12.102 -2.564 1.00 0.01 C ATOM 1944 C GLU A 125 19.955 11.178 -3.745 1.00 0.01 C ATOM 1945 O GLU A 125 21.056 10.680 -3.875 1.00 0.01 O ATOM 1946 CB GLU A 125 19.662 13.550 -3.056 1.00 0.01 C ATOM 1947 CG GLU A 125 19.321 14.488 -1.898 1.00 0.01 C ATOM 1948 CD GLU A 125 19.081 15.900 -2.437 1.00 0.02 C ATOM 1949 OE1 GLU A 125 19.878 16.346 -3.247 1.00 0.01 O ATOM 1950 OE2 GLU A 125 18.106 16.509 -2.032 1.00 0.02 O ATOM 0 H GLU A 125 21.601 11.696 -1.814 1.00 0.01 H new ATOM 0 HA GLU A 125 18.655 11.855 -2.161 1.00 0.01 H new ATOM 0 HB2 GLU A 125 20.646 13.792 -3.456 1.00 0.01 H new ATOM 0 HB3 GLU A 125 18.946 13.682 -3.868 1.00 0.01 H new ATOM 0 HG2 GLU A 125 18.433 14.131 -1.376 1.00 0.01 H new ATOM 0 HG3 GLU A 125 20.134 14.498 -1.173 1.00 0.01 H new ATOM 1957 N ILE A 126 19.001 10.966 -4.620 1.00 0.01 N ATOM 1958 CA ILE A 126 19.229 10.098 -5.821 1.00 0.01 C ATOM 1959 C ILE A 126 18.782 10.888 -7.053 1.00 0.01 C ATOM 1960 O ILE A 126 17.674 11.389 -7.094 1.00 0.01 O ATOM 1961 CB ILE A 126 18.370 8.833 -5.701 1.00 1.33 C ATOM 1962 CG1 ILE A 126 18.726 8.071 -4.405 1.00 1.49 C ATOM 1963 CG2 ILE A 126 18.592 7.940 -6.927 1.00 2.17 C ATOM 1964 CD1 ILE A 126 19.967 7.184 -4.598 1.00 1.70 C ATOM 0 H ILE A 126 18.063 11.362 -4.553 1.00 0.01 H new ATOM 0 HA ILE A 126 20.279 9.815 -5.899 1.00 0.01 H new ATOM 0 HB ILE A 126 17.318 9.115 -5.657 1.00 1.33 H new ATOM 0 HG12 ILE A 126 18.908 8.784 -3.601 1.00 1.49 H new ATOM 0 HG13 ILE A 126 17.880 7.455 -4.100 1.00 1.49 H new ATOM 0 HG21 ILE A 126 17.980 7.042 -6.839 1.00 2.17 H new ATOM 0 HG22 ILE A 126 18.310 8.484 -7.829 1.00 2.17 H new ATOM 0 HG23 ILE A 126 19.643 7.658 -6.986 1.00 2.17 H new ATOM 0 HD11 ILE A 126 20.190 6.662 -3.667 1.00 1.70 H new ATOM 0 HD12 ILE A 126 19.774 6.455 -5.385 1.00 1.70 H new ATOM 0 HD13 ILE A 126 20.818 7.805 -4.878 1.00 1.70 H new ATOM 1976 N HIS A 127 19.644 11.058 -8.035 1.00 0.01 N ATOM 1977 CA HIS A 127 19.263 11.887 -9.233 1.00 0.01 C ATOM 1978 C HIS A 127 19.062 11.050 -10.500 1.00 0.01 C ATOM 1979 O HIS A 127 18.479 11.512 -11.460 1.00 0.01 O ATOM 1980 CB HIS A 127 20.353 12.935 -9.483 1.00 0.02 C ATOM 1981 CG HIS A 127 19.831 14.014 -10.395 1.00 0.01 C ATOM 1982 ND1 HIS A 127 19.445 15.258 -9.921 1.00 0.01 N ATOM 1983 CD2 HIS A 127 19.630 14.052 -11.752 1.00 0.01 C ATOM 1984 CE1 HIS A 127 19.038 15.985 -10.976 1.00 0.01 C ATOM 1985 NE2 HIS A 127 19.131 15.298 -12.118 1.00 0.02 N ATOM 0 H HIS A 127 20.584 10.664 -8.060 1.00 0.01 H new ATOM 0 HA HIS A 127 18.307 12.361 -9.010 1.00 0.01 H new ATOM 0 HB2 HIS A 127 20.674 13.371 -8.537 1.00 0.02 H new ATOM 0 HB3 HIS A 127 21.228 12.462 -9.929 1.00 0.02 H new ATOM 0 HD2 HIS A 127 19.829 13.238 -12.433 1.00 0.01 H new ATOM 0 HE1 HIS A 127 18.679 17.001 -10.909 1.00 0.01 H new ATOM 0 HE2 HIS A 127 18.889 15.618 -13.056 1.00 0.02 H new ATOM 1993 N SER A 128 19.503 9.819 -10.519 1.00 0.01 N ATOM 1994 CA SER A 128 19.285 8.980 -11.734 1.00 0.01 C ATOM 1995 C SER A 128 19.446 7.502 -11.369 1.00 0.01 C ATOM 1996 O SER A 128 20.151 7.147 -10.444 1.00 0.01 O ATOM 1997 CB SER A 128 20.306 9.352 -12.808 1.00 0.01 C ATOM 1998 OG SER A 128 21.596 9.438 -12.218 1.00 0.01 O ATOM 0 H SER A 128 20.000 9.362 -9.754 1.00 0.01 H new ATOM 0 HA SER A 128 18.279 9.155 -12.116 1.00 0.01 H new ATOM 0 HB2 SER A 128 20.305 8.605 -13.602 1.00 0.01 H new ATOM 0 HB3 SER A 128 20.039 10.304 -13.266 1.00 0.01 H new ATOM 0 HG SER A 128 22.200 9.919 -12.821 1.00 0.01 H new ATOM 2004 N CYS A 129 18.798 6.640 -12.100 1.00 0.01 N ATOM 2005 CA CYS A 129 18.891 5.183 -11.822 1.00 0.01 C ATOM 2006 C CYS A 129 18.285 4.441 -13.012 1.00 0.00 C ATOM 2007 O CYS A 129 17.394 4.952 -13.662 1.00 0.01 O ATOM 2008 CB CYS A 129 18.113 4.845 -10.549 1.00 0.69 C ATOM 2009 SG CYS A 129 16.345 5.118 -10.830 1.00 1.22 S ATOM 0 H CYS A 129 18.200 6.888 -12.888 1.00 0.01 H new ATOM 0 HA CYS A 129 19.931 4.889 -11.678 1.00 0.01 H new ATOM 0 HB2 CYS A 129 18.291 3.807 -10.266 1.00 0.69 H new ATOM 0 HB3 CYS A 129 18.461 5.465 -9.722 1.00 0.69 H new ATOM 0 HG CYS A 129 16.103 6.395 -10.863 1.00 1.22 H new ATOM 2015 N LYS A 130 18.752 3.253 -13.318 1.00 0.01 N ATOM 2016 CA LYS A 130 18.183 2.504 -14.488 1.00 0.01 C ATOM 2017 C LYS A 130 17.444 1.273 -13.975 1.00 0.01 C ATOM 2018 O LYS A 130 18.031 0.280 -13.593 1.00 0.01 O ATOM 2019 CB LYS A 130 19.324 2.064 -15.409 1.00 0.55 C ATOM 2020 CG LYS A 130 18.750 1.602 -16.750 1.00 0.80 C ATOM 2021 CD LYS A 130 19.837 0.877 -17.547 1.00 0.29 C ATOM 2022 CE LYS A 130 19.249 0.353 -18.859 1.00 0.33 C ATOM 2023 NZ LYS A 130 20.245 -0.528 -19.533 1.00 1.41 N ATOM 0 H LYS A 130 19.497 2.772 -12.814 1.00 0.01 H new ATOM 0 HA LYS A 130 17.496 3.144 -15.041 1.00 0.01 H new ATOM 0 HB2 LYS A 130 20.019 2.889 -15.564 1.00 0.55 H new ATOM 0 HB3 LYS A 130 19.888 1.255 -14.945 1.00 0.55 H new ATOM 0 HG2 LYS A 130 17.901 0.938 -16.585 1.00 0.80 H new ATOM 0 HG3 LYS A 130 18.380 2.458 -17.314 1.00 0.80 H new ATOM 0 HD2 LYS A 130 20.665 1.556 -17.753 1.00 0.29 H new ATOM 0 HD3 LYS A 130 20.241 0.051 -16.962 1.00 0.29 H new ATOM 0 HE2 LYS A 130 18.331 -0.201 -18.663 1.00 0.33 H new ATOM 0 HE3 LYS A 130 18.985 1.186 -19.510 1.00 0.33 H new ATOM 0 HZ1 LYS A 130 19.846 -0.884 -20.425 1.00 1.41 H new ATOM 0 HZ2 LYS A 130 21.109 0.015 -19.733 1.00 1.41 H new ATOM 0 HZ3 LYS A 130 20.476 -1.330 -18.912 1.00 1.41 H new ATOM 2037 N VAL A 131 16.141 1.356 -13.966 1.00 0.01 N ATOM 2038 CA VAL A 131 15.284 0.236 -13.487 1.00 0.01 C ATOM 2039 C VAL A 131 14.523 -0.367 -14.667 1.00 0.01 C ATOM 2040 O VAL A 131 13.789 0.329 -15.341 1.00 0.01 O ATOM 2041 CB VAL A 131 14.283 0.769 -12.456 1.00 0.01 C ATOM 2042 CG1 VAL A 131 13.661 -0.402 -11.694 1.00 0.01 C ATOM 2043 CG2 VAL A 131 15.009 1.689 -11.471 1.00 0.01 C ATOM 0 H VAL A 131 15.622 2.176 -14.280 1.00 0.01 H new ATOM 0 HA VAL A 131 15.910 -0.530 -13.029 1.00 0.01 H new ATOM 0 HB VAL A 131 13.498 1.327 -12.967 1.00 0.01 H new ATOM 0 HG11 VAL A 131 12.949 -0.022 -10.961 1.00 0.01 H new ATOM 0 HG12 VAL A 131 13.145 -1.059 -12.394 1.00 0.01 H new ATOM 0 HG13 VAL A 131 14.445 -0.961 -11.183 1.00 0.01 H new ATOM 0 HG21 VAL A 131 14.299 2.069 -10.737 1.00 0.01 H new ATOM 0 HG22 VAL A 131 15.793 1.130 -10.961 1.00 0.01 H new ATOM 0 HG23 VAL A 131 15.453 2.524 -12.013 1.00 0.01 H new ATOM 2053 N VAL A 132 14.615 -1.656 -14.885 1.00 0.01 N ATOM 2054 CA VAL A 132 13.815 -2.293 -15.968 1.00 0.01 C ATOM 2055 C VAL A 132 12.993 -3.374 -15.292 1.00 0.00 C ATOM 2056 O VAL A 132 13.345 -4.535 -15.244 1.00 0.01 O ATOM 2057 CB VAL A 132 14.750 -2.922 -17.001 1.00 1.22 C ATOM 2058 CG1 VAL A 132 13.928 -3.467 -18.169 1.00 1.00 C ATOM 2059 CG2 VAL A 132 15.728 -1.864 -17.517 1.00 1.98 C ATOM 0 H VAL A 132 15.212 -2.293 -14.357 1.00 0.01 H new ATOM 0 HA VAL A 132 13.184 -1.569 -16.484 1.00 0.01 H new ATOM 0 HB VAL A 132 15.307 -3.736 -16.537 1.00 1.22 H new ATOM 0 HG11 VAL A 132 14.595 -3.915 -18.905 1.00 1.00 H new ATOM 0 HG12 VAL A 132 13.232 -4.222 -17.803 1.00 1.00 H new ATOM 0 HG13 VAL A 132 13.370 -2.653 -18.633 1.00 1.00 H new ATOM 0 HG21 VAL A 132 16.394 -2.313 -18.253 1.00 1.98 H new ATOM 0 HG22 VAL A 132 15.172 -1.049 -17.980 1.00 1.98 H new ATOM 0 HG23 VAL A 132 16.316 -1.475 -16.685 1.00 1.98 H new ATOM 2069 N GLU A 133 11.868 -2.963 -14.805 1.00 0.01 N ATOM 2070 CA GLU A 133 10.911 -3.885 -14.143 1.00 0.01 C ATOM 2071 C GLU A 133 9.552 -3.177 -14.129 1.00 0.01 C ATOM 2072 O GLU A 133 9.300 -2.276 -14.902 1.00 0.01 O ATOM 2073 CB GLU A 133 11.389 -4.183 -12.707 1.00 0.00 C ATOM 2074 CG GLU A 133 10.953 -5.594 -12.284 1.00 0.00 C ATOM 2075 CD GLU A 133 11.857 -6.631 -12.954 1.00 0.00 C ATOM 2076 OE1 GLU A 133 12.912 -6.907 -12.407 1.00 0.00 O ATOM 2077 OE2 GLU A 133 11.479 -7.131 -14.001 1.00 0.00 O ATOM 0 H GLU A 133 11.558 -1.992 -14.838 1.00 0.01 H new ATOM 0 HA GLU A 133 10.839 -4.836 -14.671 1.00 0.01 H new ATOM 0 HB2 GLU A 133 12.474 -4.098 -12.652 1.00 0.00 H new ATOM 0 HB3 GLU A 133 10.977 -3.445 -12.018 1.00 0.00 H new ATOM 0 HG2 GLU A 133 11.009 -5.694 -11.200 1.00 0.00 H new ATOM 0 HG3 GLU A 133 9.914 -5.765 -12.567 1.00 0.00 H new ATOM 2084 N GLY A 134 8.685 -3.574 -13.245 1.00 0.01 N ATOM 2085 CA GLY A 134 7.347 -2.927 -13.158 1.00 0.01 C ATOM 2086 C GLY A 134 6.792 -3.172 -11.759 1.00 0.01 C ATOM 2087 O GLY A 134 5.733 -2.693 -11.404 1.00 0.01 O ATOM 0 H GLY A 134 8.845 -4.324 -12.573 1.00 0.01 H new ATOM 0 HA2 GLY A 134 7.428 -1.858 -13.353 1.00 0.01 H new ATOM 0 HA3 GLY A 134 6.675 -3.339 -13.911 1.00 0.01 H new ATOM 2091 N THR A 135 7.513 -3.926 -10.967 1.00 0.01 N ATOM 2092 CA THR A 135 7.064 -4.240 -9.576 1.00 0.01 C ATOM 2093 C THR A 135 8.039 -3.621 -8.567 1.00 0.01 C ATOM 2094 O THR A 135 8.425 -4.256 -7.608 1.00 0.01 O ATOM 2095 CB THR A 135 7.036 -5.765 -9.403 1.00 1.43 C ATOM 2096 OG1 THR A 135 8.154 -6.332 -10.068 1.00 1.92 O ATOM 2097 CG2 THR A 135 5.746 -6.330 -10.004 1.00 2.30 C ATOM 0 H THR A 135 8.406 -4.343 -11.229 1.00 0.01 H new ATOM 0 HA THR A 135 6.070 -3.829 -9.403 1.00 0.01 H new ATOM 0 HB THR A 135 7.076 -6.010 -8.342 1.00 1.43 H new ATOM 0 HG1 THR A 135 8.141 -7.306 -9.958 1.00 1.92 H new ATOM 0 HG21 THR A 135 5.730 -7.413 -9.879 1.00 2.30 H new ATOM 0 HG22 THR A 135 4.886 -5.893 -9.496 1.00 2.30 H new ATOM 0 HG23 THR A 135 5.702 -6.087 -11.066 1.00 2.30 H new ATOM 2105 N TRP A 136 8.430 -2.385 -8.768 1.00 0.01 N ATOM 2106 CA TRP A 136 9.371 -1.712 -7.813 1.00 0.01 C ATOM 2107 C TRP A 136 8.748 -0.395 -7.348 1.00 0.01 C ATOM 2108 O TRP A 136 8.219 0.365 -8.134 1.00 0.00 O ATOM 2109 CB TRP A 136 10.714 -1.437 -8.511 1.00 0.01 C ATOM 2110 CG TRP A 136 11.574 -2.661 -8.460 1.00 0.01 C ATOM 2111 CD1 TRP A 136 11.291 -3.839 -9.061 1.00 0.01 C ATOM 2112 CD2 TRP A 136 12.846 -2.843 -7.778 1.00 0.01 C ATOM 2113 NE1 TRP A 136 12.309 -4.735 -8.788 1.00 0.00 N ATOM 2114 CE2 TRP A 136 13.292 -4.167 -7.999 1.00 0.01 C ATOM 2115 CE3 TRP A 136 13.645 -1.995 -6.994 1.00 0.01 C ATOM 2116 CZ2 TRP A 136 14.493 -4.632 -7.461 1.00 0.01 C ATOM 2117 CZ3 TRP A 136 14.853 -2.458 -6.452 1.00 0.01 C ATOM 2118 CH2 TRP A 136 15.276 -3.775 -6.685 1.00 0.01 C ATOM 0 H TRP A 136 8.137 -1.809 -9.557 1.00 0.01 H new ATOM 0 HA TRP A 136 9.548 -2.358 -6.953 1.00 0.01 H new ATOM 0 HB2 TRP A 136 10.542 -1.145 -9.547 1.00 0.01 H new ATOM 0 HB3 TRP A 136 11.222 -0.604 -8.025 1.00 0.01 H new ATOM 0 HD1 TRP A 136 10.414 -4.046 -9.656 1.00 0.01 H new ATOM 0 HE1 TRP A 136 12.332 -5.697 -9.127 1.00 0.00 H new ATOM 0 HE3 TRP A 136 13.327 -0.980 -6.807 1.00 0.01 H new ATOM 0 HZ2 TRP A 136 14.814 -5.647 -7.644 1.00 0.01 H new ATOM 0 HZ3 TRP A 136 15.461 -1.797 -5.852 1.00 0.01 H new ATOM 0 HH2 TRP A 136 16.207 -4.126 -6.264 1.00 0.01 H new ATOM 2129 N ILE A 137 8.830 -0.116 -6.067 1.00 0.01 N ATOM 2130 CA ILE A 137 8.268 1.160 -5.521 1.00 0.00 C ATOM 2131 C ILE A 137 9.370 1.927 -4.786 1.00 0.01 C ATOM 2132 O ILE A 137 10.171 1.357 -4.077 1.00 0.01 O ATOM 2133 CB ILE A 137 7.147 0.852 -4.524 1.00 0.60 C ATOM 2134 CG1 ILE A 137 6.146 -0.120 -5.163 1.00 1.32 C ATOM 2135 CG2 ILE A 137 6.426 2.152 -4.147 1.00 1.37 C ATOM 2136 CD1 ILE A 137 4.910 -0.267 -4.265 1.00 1.69 C ATOM 0 H ILE A 137 9.266 -0.723 -5.373 1.00 0.01 H new ATOM 0 HA ILE A 137 7.877 1.755 -6.346 1.00 0.00 H new ATOM 0 HB ILE A 137 7.573 0.399 -3.628 1.00 0.60 H new ATOM 0 HG12 ILE A 137 5.850 0.245 -6.147 1.00 1.32 H new ATOM 0 HG13 ILE A 137 6.615 -1.092 -5.312 1.00 1.32 H new ATOM 0 HG21 ILE A 137 5.628 1.933 -3.437 1.00 1.37 H new ATOM 0 HG22 ILE A 137 7.136 2.843 -3.693 1.00 1.37 H new ATOM 0 HG23 ILE A 137 6.001 2.605 -5.043 1.00 1.37 H new ATOM 0 HD11 ILE A 137 4.205 -0.959 -4.726 1.00 1.69 H new ATOM 0 HD12 ILE A 137 5.212 -0.652 -3.291 1.00 1.69 H new ATOM 0 HD13 ILE A 137 4.434 0.706 -4.139 1.00 1.69 H new ATOM 2148 N PHE A 138 9.374 3.226 -4.927 1.00 0.01 N ATOM 2149 CA PHE A 138 10.374 4.090 -4.223 1.00 0.01 C ATOM 2150 C PHE A 138 9.601 4.950 -3.229 1.00 0.01 C ATOM 2151 O PHE A 138 8.496 5.350 -3.503 1.00 0.00 O ATOM 2152 CB PHE A 138 11.095 4.965 -5.245 1.00 1.11 C ATOM 2153 CG PHE A 138 11.947 4.072 -6.112 1.00 1.11 C ATOM 2154 CD1 PHE A 138 11.383 3.430 -7.220 1.00 1.46 C ATOM 2155 CD2 PHE A 138 13.297 3.873 -5.801 1.00 1.54 C ATOM 2156 CE1 PHE A 138 12.170 2.592 -8.019 1.00 2.01 C ATOM 2157 CE2 PHE A 138 14.085 3.036 -6.600 1.00 2.35 C ATOM 2158 CZ PHE A 138 13.521 2.397 -7.710 1.00 2.49 C ATOM 0 H PHE A 138 8.713 3.737 -5.512 1.00 0.01 H new ATOM 0 HA PHE A 138 11.123 3.493 -3.703 1.00 0.01 H new ATOM 0 HB2 PHE A 138 10.374 5.511 -5.854 1.00 1.11 H new ATOM 0 HB3 PHE A 138 11.713 5.708 -4.741 1.00 1.11 H new ATOM 0 HD1 PHE A 138 10.341 3.581 -7.459 1.00 1.46 H new ATOM 0 HD2 PHE A 138 13.731 4.366 -4.944 1.00 1.54 H new ATOM 0 HE1 PHE A 138 11.735 2.096 -8.874 1.00 2.01 H new ATOM 0 HE2 PHE A 138 15.127 2.884 -6.360 1.00 2.35 H new ATOM 0 HZ PHE A 138 14.129 1.753 -8.328 1.00 2.49 H new ATOM 2168 N TYR A 139 10.171 5.239 -2.079 1.00 0.01 N ATOM 2169 CA TYR A 139 9.458 6.081 -1.062 1.00 0.01 C ATOM 2170 C TYR A 139 10.313 7.304 -0.714 1.00 0.01 C ATOM 2171 O TYR A 139 11.530 7.245 -0.719 1.00 0.01 O ATOM 2172 CB TYR A 139 9.219 5.256 0.204 1.00 0.01 C ATOM 2173 CG TYR A 139 8.445 4.002 -0.143 1.00 0.01 C ATOM 2174 CD1 TYR A 139 9.077 2.956 -0.829 1.00 0.01 C ATOM 2175 CD2 TYR A 139 7.099 3.881 0.224 1.00 0.01 C ATOM 2176 CE1 TYR A 139 8.365 1.794 -1.146 1.00 0.01 C ATOM 2177 CE2 TYR A 139 6.386 2.717 -0.094 1.00 0.02 C ATOM 2178 CZ TYR A 139 7.020 1.675 -0.780 1.00 0.02 C ATOM 2179 OH TYR A 139 6.319 0.529 -1.094 1.00 0.00 O ATOM 0 H TYR A 139 11.101 4.927 -1.801 1.00 0.01 H new ATOM 0 HA TYR A 139 8.503 6.410 -1.472 1.00 0.01 H new ATOM 0 HB2 TYR A 139 10.172 4.992 0.663 1.00 0.01 H new ATOM 0 HB3 TYR A 139 8.666 5.846 0.935 1.00 0.01 H new ATOM 0 HD1 TYR A 139 10.115 3.047 -1.113 1.00 0.01 H new ATOM 0 HD2 TYR A 139 6.610 4.686 0.753 1.00 0.01 H new ATOM 0 HE1 TYR A 139 8.854 0.988 -1.674 1.00 0.01 H new ATOM 0 HE2 TYR A 139 5.348 2.624 0.190 1.00 0.02 H new ATOM 0 HH TYR A 139 5.399 0.609 -0.767 1.00 0.00 H new ATOM 2189 N GLU A 140 9.680 8.426 -0.471 1.00 0.01 N ATOM 2190 CA GLU A 140 10.433 9.684 -0.193 1.00 0.02 C ATOM 2191 C GLU A 140 11.021 9.694 1.223 1.00 0.01 C ATOM 2192 O GLU A 140 12.032 10.324 1.453 1.00 0.01 O ATOM 2193 CB GLU A 140 9.452 10.850 -0.330 1.00 0.01 C ATOM 2194 CG GLU A 140 10.213 12.173 -0.232 1.00 0.02 C ATOM 2195 CD GLU A 140 9.289 13.325 -0.633 1.00 0.02 C ATOM 2196 OE1 GLU A 140 8.104 13.082 -0.786 1.00 0.01 O ATOM 2197 OE2 GLU A 140 9.784 14.431 -0.779 1.00 0.02 O ATOM 0 H GLU A 140 8.665 8.522 -0.454 1.00 0.01 H new ATOM 0 HA GLU A 140 11.261 9.765 -0.897 1.00 0.02 H new ATOM 0 HB2 GLU A 140 8.930 10.789 -1.285 1.00 0.01 H new ATOM 0 HB3 GLU A 140 8.695 10.795 0.452 1.00 0.01 H new ATOM 0 HG2 GLU A 140 10.576 12.321 0.785 1.00 0.02 H new ATOM 0 HG3 GLU A 140 11.087 12.151 -0.883 1.00 0.02 H new ATOM 2204 N LEU A 141 10.409 9.031 2.184 1.00 0.01 N ATOM 2205 CA LEU A 141 10.959 9.047 3.585 1.00 0.02 C ATOM 2206 C LEU A 141 11.408 7.622 3.968 1.00 0.01 C ATOM 2207 O LEU A 141 10.908 6.651 3.428 1.00 0.01 O ATOM 2208 CB LEU A 141 9.839 9.515 4.537 1.00 0.57 C ATOM 2209 CG LEU A 141 9.786 11.057 4.585 1.00 0.81 C ATOM 2210 CD1 LEU A 141 8.397 11.509 5.046 1.00 1.48 C ATOM 2211 CD2 LEU A 141 10.834 11.604 5.565 1.00 1.24 C ATOM 0 H LEU A 141 9.558 8.483 2.060 1.00 0.01 H new ATOM 0 HA LEU A 141 11.813 9.721 3.655 1.00 0.02 H new ATOM 0 HB2 LEU A 141 8.879 9.122 4.202 1.00 0.57 H new ATOM 0 HB3 LEU A 141 10.014 9.119 5.537 1.00 0.57 H new ATOM 0 HG LEU A 141 9.995 11.439 3.586 1.00 0.81 H new ATOM 0 HD11 LEU A 141 8.361 12.598 5.079 1.00 1.48 H new ATOM 0 HD12 LEU A 141 7.645 11.142 4.348 1.00 1.48 H new ATOM 0 HD13 LEU A 141 8.195 11.109 6.040 1.00 1.48 H new ATOM 0 HD21 LEU A 141 10.781 12.693 5.585 1.00 1.24 H new ATOM 0 HD22 LEU A 141 10.638 11.213 6.563 1.00 1.24 H new ATOM 0 HD23 LEU A 141 11.829 11.295 5.244 1.00 1.24 H new ATOM 2223 N PRO A 142 12.343 7.486 4.895 1.00 0.01 N ATOM 2224 CA PRO A 142 12.829 6.138 5.309 1.00 0.01 C ATOM 2225 C PRO A 142 11.698 5.219 5.786 1.00 0.01 C ATOM 2226 O PRO A 142 10.598 5.642 6.083 1.00 0.01 O ATOM 2227 CB PRO A 142 13.815 6.463 6.455 1.00 0.01 C ATOM 2228 CG PRO A 142 13.748 7.976 6.737 1.00 0.02 C ATOM 2229 CD PRO A 142 12.983 8.646 5.585 1.00 0.01 C ATOM 0 HA PRO A 142 13.283 5.590 4.483 1.00 0.01 H new ATOM 0 HB2 PRO A 142 13.556 5.898 7.350 1.00 0.01 H new ATOM 0 HB3 PRO A 142 14.828 6.173 6.178 1.00 0.01 H new ATOM 0 HG2 PRO A 142 13.246 8.164 7.686 1.00 0.02 H new ATOM 0 HG3 PRO A 142 14.752 8.392 6.819 1.00 0.02 H new ATOM 0 HD2 PRO A 142 12.243 9.358 5.951 1.00 0.01 H new ATOM 0 HD3 PRO A 142 13.651 9.194 4.920 1.00 0.01 H new ATOM 2237 N ASN A 143 12.010 3.957 5.878 1.00 0.01 N ATOM 2238 CA ASN A 143 11.028 2.943 6.356 1.00 0.01 C ATOM 2239 C ASN A 143 9.798 2.883 5.447 1.00 0.01 C ATOM 2240 O ASN A 143 8.703 2.583 5.881 1.00 0.01 O ATOM 2241 CB ASN A 143 10.586 3.303 7.778 1.00 0.23 C ATOM 2242 CG ASN A 143 11.806 3.718 8.602 1.00 0.11 C ATOM 2243 OD1 ASN A 143 12.923 3.668 8.124 1.00 0.75 O ATOM 2244 ND2 ASN A 143 11.640 4.131 9.829 1.00 0.56 N ATOM 0 H ASN A 143 12.925 3.577 5.636 1.00 0.01 H new ATOM 0 HA ASN A 143 11.511 1.966 6.341 1.00 0.01 H new ATOM 0 HB2 ASN A 143 9.860 4.115 7.750 1.00 0.23 H new ATOM 0 HB3 ASN A 143 10.092 2.450 8.244 1.00 0.23 H new ATOM 0 HD21 ASN A 143 12.447 4.412 10.386 1.00 0.56 H new ATOM 0 HD22 ASN A 143 10.703 4.173 10.231 1.00 0.56 H new ATOM 2251 N TYR A 144 9.987 3.127 4.178 1.00 0.01 N ATOM 2252 CA TYR A 144 8.858 3.047 3.206 1.00 0.02 C ATOM 2253 C TYR A 144 7.719 3.992 3.609 1.00 0.01 C ATOM 2254 O TYR A 144 6.575 3.589 3.702 1.00 0.01 O ATOM 2255 CB TYR A 144 8.345 1.597 3.155 1.00 0.01 C ATOM 2256 CG TYR A 144 9.501 0.650 3.408 1.00 0.01 C ATOM 2257 CD1 TYR A 144 10.618 0.675 2.565 1.00 0.01 C ATOM 2258 CD2 TYR A 144 9.463 -0.239 4.492 1.00 0.01 C ATOM 2259 CE1 TYR A 144 11.694 -0.190 2.802 1.00 0.01 C ATOM 2260 CE2 TYR A 144 10.541 -1.101 4.730 1.00 0.01 C ATOM 2261 CZ TYR A 144 11.656 -1.077 3.885 1.00 0.01 C ATOM 2262 OH TYR A 144 12.719 -1.926 4.119 1.00 0.01 O ATOM 0 H TYR A 144 10.886 3.381 3.769 1.00 0.01 H new ATOM 0 HA TYR A 144 9.214 3.351 2.222 1.00 0.02 H new ATOM 0 HB2 TYR A 144 7.566 1.448 3.903 1.00 0.01 H new ATOM 0 HB3 TYR A 144 7.897 1.391 2.183 1.00 0.01 H new ATOM 0 HD1 TYR A 144 10.650 1.361 1.732 1.00 0.01 H new ATOM 0 HD2 TYR A 144 8.602 -0.259 5.144 1.00 0.01 H new ATOM 0 HE1 TYR A 144 12.554 -0.173 2.149 1.00 0.01 H new ATOM 0 HE2 TYR A 144 10.512 -1.784 5.566 1.00 0.01 H new ATOM 0 HH TYR A 144 12.532 -2.474 4.910 1.00 0.01 H new ATOM 2272 N ARG A 145 8.026 5.245 3.849 1.00 0.02 N ATOM 2273 CA ARG A 145 6.962 6.230 4.249 1.00 0.01 C ATOM 2274 C ARG A 145 7.005 7.460 3.336 1.00 0.01 C ATOM 2275 O ARG A 145 7.958 7.675 2.615 1.00 0.01 O ATOM 2276 CB ARG A 145 7.210 6.674 5.692 1.00 0.01 C ATOM 2277 CG ARG A 145 7.004 5.486 6.633 1.00 0.02 C ATOM 2278 CD ARG A 145 7.356 5.898 8.064 1.00 0.01 C ATOM 2279 NE ARG A 145 6.524 7.069 8.460 1.00 0.01 N ATOM 2280 CZ ARG A 145 6.427 7.405 9.718 1.00 0.01 C ATOM 2281 NH1 ARG A 145 7.055 6.712 10.628 1.00 0.02 N ATOM 2282 NH2 ARG A 145 5.700 8.432 10.063 1.00 0.01 N ATOM 0 H ARG A 145 8.968 5.632 3.786 1.00 0.02 H new ATOM 0 HA ARG A 145 5.986 5.754 4.160 1.00 0.01 H new ATOM 0 HB2 ARG A 145 8.223 7.062 5.795 1.00 0.01 H new ATOM 0 HB3 ARG A 145 6.530 7.484 5.957 1.00 0.01 H new ATOM 0 HG2 ARG A 145 5.969 5.147 6.586 1.00 0.02 H new ATOM 0 HG3 ARG A 145 7.629 4.649 6.321 1.00 0.02 H new ATOM 0 HD2 ARG A 145 7.182 5.067 8.747 1.00 0.01 H new ATOM 0 HD3 ARG A 145 8.414 6.150 8.132 1.00 0.01 H new ATOM 0 HE ARG A 145 6.030 7.608 7.749 1.00 0.01 H new ATOM 0 HH11 ARG A 145 7.621 5.908 10.356 1.00 0.02 H new ATOM 0 HH12 ARG A 145 6.980 6.974 11.611 1.00 0.02 H new ATOM 0 HH21 ARG A 145 5.208 8.971 9.350 1.00 0.01 H new ATOM 0 HH22 ARG A 145 5.623 8.696 11.045 1.00 0.01 H new ATOM 2296 N GLY A 146 5.971 8.267 3.353 1.00 0.01 N ATOM 2297 CA GLY A 146 5.944 9.483 2.486 1.00 0.02 C ATOM 2298 C GLY A 146 5.331 9.156 1.119 1.00 0.01 C ATOM 2299 O GLY A 146 4.716 8.125 0.927 1.00 0.02 O ATOM 0 H GLY A 146 5.143 8.133 3.933 1.00 0.01 H new ATOM 0 HA2 GLY A 146 5.366 10.270 2.971 1.00 0.02 H new ATOM 0 HA3 GLY A 146 6.956 9.866 2.355 1.00 0.02 H new ATOM 2303 N ARG A 147 5.495 10.043 0.174 1.00 0.01 N ATOM 2304 CA ARG A 147 4.929 9.818 -1.190 1.00 0.01 C ATOM 2305 C ARG A 147 5.711 8.701 -1.878 1.00 0.01 C ATOM 2306 O ARG A 147 6.899 8.537 -1.677 1.00 0.01 O ATOM 2307 CB ARG A 147 5.058 11.108 -2.005 1.00 0.01 C ATOM 2308 CG ARG A 147 4.443 10.899 -3.390 1.00 0.01 C ATOM 2309 CD ARG A 147 4.256 12.255 -4.073 1.00 0.01 C ATOM 2310 NE ARG A 147 3.244 13.051 -3.325 1.00 0.02 N ATOM 2311 CZ ARG A 147 3.139 14.335 -3.534 1.00 0.02 C ATOM 2312 NH1 ARG A 147 3.926 14.923 -4.395 1.00 0.01 N ATOM 2313 NH2 ARG A 147 2.249 15.031 -2.881 1.00 0.02 N ATOM 0 H ARG A 147 6.001 10.921 0.289 1.00 0.01 H new ATOM 0 HA ARG A 147 3.879 9.536 -1.115 1.00 0.01 H new ATOM 0 HB2 ARG A 147 4.555 11.927 -1.492 1.00 0.01 H new ATOM 0 HB3 ARG A 147 6.107 11.388 -2.100 1.00 0.01 H new ATOM 0 HG2 ARG A 147 5.088 10.261 -3.994 1.00 0.01 H new ATOM 0 HG3 ARG A 147 3.484 10.389 -3.301 1.00 0.01 H new ATOM 0 HD2 ARG A 147 5.204 12.791 -4.106 1.00 0.01 H new ATOM 0 HD3 ARG A 147 3.933 12.113 -5.104 1.00 0.01 H new ATOM 0 HE ARG A 147 2.633 12.593 -2.649 1.00 0.02 H new ATOM 0 HH11 ARG A 147 4.622 14.379 -4.904 1.00 0.01 H new ATOM 0 HH12 ARG A 147 3.844 15.926 -4.558 1.00 0.01 H new ATOM 0 HH21 ARG A 147 1.636 14.571 -2.208 1.00 0.02 H new ATOM 0 HH22 ARG A 147 2.166 16.035 -3.044 1.00 0.02 H new ATOM 2327 N GLN A 148 5.024 7.900 -2.661 1.00 0.01 N ATOM 2328 CA GLN A 148 5.679 6.745 -3.347 1.00 0.01 C ATOM 2329 C GLN A 148 5.688 6.966 -4.867 1.00 0.01 C ATOM 2330 O GLN A 148 4.799 7.585 -5.419 1.00 0.01 O ATOM 2331 CB GLN A 148 4.857 5.491 -3.026 1.00 0.00 C ATOM 2332 CG GLN A 148 4.441 5.514 -1.553 1.00 0.02 C ATOM 2333 CD GLN A 148 3.782 4.184 -1.190 1.00 0.02 C ATOM 2334 OE1 GLN A 148 3.751 3.222 -2.072 1.00 0.02 O flip ATOM 2335 NE2 GLN A 148 3.289 4.016 -0.092 1.00 0.01 N flip ATOM 0 H GLN A 148 4.028 8.001 -2.854 1.00 0.01 H new ATOM 0 HA GLN A 148 6.709 6.640 -3.005 1.00 0.01 H new ATOM 0 HB2 GLN A 148 3.974 5.450 -3.663 1.00 0.00 H new ATOM 0 HB3 GLN A 148 5.443 4.596 -3.235 1.00 0.00 H new ATOM 0 HG2 GLN A 148 5.312 5.685 -0.921 1.00 0.02 H new ATOM 0 HG3 GLN A 148 3.749 6.337 -1.372 1.00 0.02 H new ATOM 0 HE21 GLN A 148 3.313 4.767 0.598 1.00 0.01 H new ATOM 0 HE22 GLN A 148 2.852 3.124 0.140 1.00 0.01 H new ATOM 2344 N TYR A 149 6.691 6.451 -5.542 1.00 0.01 N ATOM 2345 CA TYR A 149 6.788 6.603 -7.033 1.00 0.01 C ATOM 2346 C TYR A 149 6.941 5.221 -7.682 1.00 0.01 C ATOM 2347 O TYR A 149 7.714 4.403 -7.221 1.00 0.01 O ATOM 2348 CB TYR A 149 8.002 7.468 -7.376 1.00 0.01 C ATOM 2349 CG TYR A 149 7.723 8.902 -6.993 1.00 0.01 C ATOM 2350 CD1 TYR A 149 6.987 9.729 -7.851 1.00 0.01 C ATOM 2351 CD2 TYR A 149 8.203 9.407 -5.778 1.00 0.01 C ATOM 2352 CE1 TYR A 149 6.730 11.058 -7.494 1.00 0.01 C ATOM 2353 CE2 TYR A 149 7.946 10.736 -5.421 1.00 0.01 C ATOM 2354 CZ TYR A 149 7.210 11.561 -6.278 1.00 0.01 C ATOM 2355 OH TYR A 149 6.957 12.871 -5.926 1.00 0.01 O ATOM 0 H TYR A 149 7.456 5.926 -5.119 1.00 0.01 H new ATOM 0 HA TYR A 149 5.883 7.079 -7.410 1.00 0.01 H new ATOM 0 HB2 TYR A 149 8.883 7.104 -6.847 1.00 0.01 H new ATOM 0 HB3 TYR A 149 8.220 7.401 -8.442 1.00 0.01 H new ATOM 0 HD1 TYR A 149 6.617 9.341 -8.789 1.00 0.01 H new ATOM 0 HD2 TYR A 149 8.772 8.771 -5.116 1.00 0.01 H new ATOM 0 HE1 TYR A 149 6.162 11.695 -8.156 1.00 0.01 H new ATOM 0 HE2 TYR A 149 8.316 11.124 -4.484 1.00 0.01 H new ATOM 0 HH TYR A 149 7.359 13.058 -5.052 1.00 0.01 H new ATOM 2365 N LEU A 150 6.203 4.940 -8.731 1.00 0.01 N ATOM 2366 CA LEU A 150 6.297 3.594 -9.393 1.00 0.01 C ATOM 2367 C LEU A 150 7.104 3.711 -10.699 1.00 0.01 C ATOM 2368 O LEU A 150 6.747 4.464 -11.585 1.00 0.01 O ATOM 2369 CB LEU A 150 4.864 3.106 -9.686 1.00 0.01 C ATOM 2370 CG LEU A 150 4.801 1.571 -9.674 1.00 0.01 C ATOM 2371 CD1 LEU A 150 3.342 1.122 -9.773 1.00 0.01 C ATOM 2372 CD2 LEU A 150 5.590 1.012 -10.863 1.00 0.01 C ATOM 0 H LEU A 150 5.538 5.584 -9.159 1.00 0.01 H new ATOM 0 HA LEU A 150 6.806 2.882 -8.743 1.00 0.01 H new ATOM 0 HB2 LEU A 150 4.178 3.509 -8.941 1.00 0.01 H new ATOM 0 HB3 LEU A 150 4.538 3.481 -10.656 1.00 0.01 H new ATOM 0 HG LEU A 150 5.236 1.198 -8.747 1.00 0.01 H new ATOM 0 HD11 LEU A 150 3.295 0.033 -9.765 1.00 0.01 H new ATOM 0 HD12 LEU A 150 2.782 1.516 -8.925 1.00 0.01 H new ATOM 0 HD13 LEU A 150 2.908 1.497 -10.700 1.00 0.01 H new ATOM 0 HD21 LEU A 150 5.543 -0.077 -10.851 1.00 0.01 H new ATOM 0 HD22 LEU A 150 5.159 1.384 -11.793 1.00 0.01 H new ATOM 0 HD23 LEU A 150 6.630 1.331 -10.792 1.00 0.01 H new ATOM 2384 N LEU A 151 8.163 2.951 -10.845 1.00 0.01 N ATOM 2385 CA LEU A 151 8.960 2.999 -12.119 1.00 0.01 C ATOM 2386 C LEU A 151 8.492 1.850 -13.027 1.00 0.01 C ATOM 2387 O LEU A 151 8.015 0.837 -12.555 1.00 0.01 O ATOM 2388 CB LEU A 151 10.463 2.851 -11.803 1.00 0.01 C ATOM 2389 CG LEU A 151 11.105 4.237 -11.642 1.00 0.01 C ATOM 2390 CD1 LEU A 151 10.417 4.993 -10.504 1.00 0.01 C ATOM 2391 CD2 LEU A 151 12.596 4.079 -11.323 1.00 0.01 C ATOM 0 H LEU A 151 8.512 2.300 -10.141 1.00 0.01 H new ATOM 0 HA LEU A 151 8.808 3.954 -12.622 1.00 0.01 H new ATOM 0 HB2 LEU A 151 10.596 2.271 -10.889 1.00 0.01 H new ATOM 0 HB3 LEU A 151 10.959 2.302 -12.604 1.00 0.01 H new ATOM 0 HG LEU A 151 10.990 4.797 -12.570 1.00 0.01 H new ATOM 0 HD11 LEU A 151 10.874 5.976 -10.392 1.00 0.01 H new ATOM 0 HD12 LEU A 151 9.358 5.109 -10.733 1.00 0.01 H new ATOM 0 HD13 LEU A 151 10.528 4.433 -9.576 1.00 0.01 H new ATOM 0 HD21 LEU A 151 13.050 5.063 -11.209 1.00 0.01 H new ATOM 0 HD22 LEU A 151 12.712 3.516 -10.397 1.00 0.01 H new ATOM 0 HD23 LEU A 151 13.087 3.545 -12.136 1.00 0.01 H new ATOM 2403 N ASP A 152 8.613 2.007 -14.327 1.00 0.01 N ATOM 2404 CA ASP A 152 8.161 0.933 -15.277 1.00 0.01 C ATOM 2405 C ASP A 152 9.368 0.290 -15.975 1.00 0.00 C ATOM 2406 O ASP A 152 10.292 -0.184 -15.339 1.00 0.01 O ATOM 2407 CB ASP A 152 7.240 1.556 -16.330 1.00 1.04 C ATOM 2408 CG ASP A 152 6.012 2.159 -15.644 1.00 1.54 C ATOM 2409 OD1 ASP A 152 5.674 1.697 -14.567 1.00 2.27 O ATOM 2410 OD2 ASP A 152 5.432 3.073 -16.208 1.00 1.57 O ATOM 0 H ASP A 152 9.007 2.835 -14.773 1.00 0.01 H new ATOM 0 HA ASP A 152 7.629 0.163 -14.718 1.00 0.01 H new ATOM 0 HB2 ASP A 152 7.774 2.327 -16.885 1.00 1.04 H new ATOM 0 HB3 ASP A 152 6.931 0.800 -17.052 1.00 1.04 H new ATOM 2415 N LYS A 153 9.354 0.259 -17.290 1.00 0.01 N ATOM 2416 CA LYS A 153 10.480 -0.361 -18.059 1.00 0.01 C ATOM 2417 C LYS A 153 10.967 0.611 -19.133 1.00 0.01 C ATOM 2418 O LYS A 153 11.245 0.224 -20.251 1.00 0.01 O ATOM 2419 CB LYS A 153 9.985 -1.644 -18.733 1.00 0.38 C ATOM 2420 CG LYS A 153 9.562 -2.655 -17.667 1.00 0.71 C ATOM 2421 CD LYS A 153 9.266 -4.001 -18.330 1.00 0.72 C ATOM 2422 CE LYS A 153 8.629 -4.944 -17.308 1.00 1.09 C ATOM 2423 NZ LYS A 153 8.294 -6.238 -17.969 1.00 1.84 N ATOM 0 H LYS A 153 8.603 0.640 -17.866 1.00 0.01 H new ATOM 0 HA LYS A 153 11.299 -0.591 -17.377 1.00 0.01 H new ATOM 0 HB2 LYS A 153 9.144 -1.420 -19.390 1.00 0.38 H new ATOM 0 HB3 LYS A 153 10.773 -2.066 -19.356 1.00 0.38 H new ATOM 0 HG2 LYS A 153 10.352 -2.769 -16.925 1.00 0.71 H new ATOM 0 HG3 LYS A 153 8.679 -2.295 -17.139 1.00 0.71 H new ATOM 0 HD2 LYS A 153 8.596 -3.861 -19.178 1.00 0.72 H new ATOM 0 HD3 LYS A 153 10.186 -4.437 -18.719 1.00 0.72 H new ATOM 0 HE2 LYS A 153 9.314 -5.114 -16.477 1.00 1.09 H new ATOM 0 HE3 LYS A 153 7.729 -4.492 -16.891 1.00 1.09 H new ATOM 0 HZ1 LYS A 153 7.861 -6.880 -17.275 1.00 1.84 H new ATOM 0 HZ2 LYS A 153 7.626 -6.067 -18.747 1.00 1.84 H new ATOM 0 HZ3 LYS A 153 9.162 -6.670 -18.346 1.00 1.84 H new ATOM 2437 N LYS A 154 11.079 1.873 -18.800 1.00 0.00 N ATOM 2438 CA LYS A 154 11.556 2.891 -19.790 1.00 0.01 C ATOM 2439 C LYS A 154 12.919 3.423 -19.345 1.00 0.01 C ATOM 2440 O LYS A 154 13.494 2.951 -18.384 1.00 0.00 O ATOM 2441 CB LYS A 154 10.554 4.047 -19.844 1.00 0.39 C ATOM 2442 CG LYS A 154 9.223 3.544 -20.409 1.00 0.48 C ATOM 2443 CD LYS A 154 8.230 4.705 -20.491 1.00 0.97 C ATOM 2444 CE LYS A 154 6.978 4.253 -21.245 1.00 1.44 C ATOM 2445 NZ LYS A 154 7.293 4.130 -22.696 1.00 2.28 N ATOM 0 H LYS A 154 10.859 2.246 -17.877 1.00 0.00 H new ATOM 0 HA LYS A 154 11.644 2.435 -20.776 1.00 0.01 H new ATOM 0 HB2 LYS A 154 10.405 4.460 -18.846 1.00 0.39 H new ATOM 0 HB3 LYS A 154 10.945 4.852 -20.467 1.00 0.39 H new ATOM 0 HG2 LYS A 154 9.376 3.112 -21.398 1.00 0.48 H new ATOM 0 HG3 LYS A 154 8.822 2.753 -19.775 1.00 0.48 H new ATOM 0 HD2 LYS A 154 7.963 5.040 -19.489 1.00 0.97 H new ATOM 0 HD3 LYS A 154 8.687 5.554 -21.000 1.00 0.97 H new ATOM 0 HE2 LYS A 154 6.630 3.297 -20.855 1.00 1.44 H new ATOM 0 HE3 LYS A 154 6.171 4.971 -21.096 1.00 1.44 H new ATOM 0 HZ1 LYS A 154 6.411 4.160 -23.246 1.00 2.28 H new ATOM 0 HZ2 LYS A 154 7.909 4.917 -22.985 1.00 2.28 H new ATOM 0 HZ3 LYS A 154 7.779 3.227 -22.870 1.00 2.28 H new ATOM 2459 N GLU A 155 13.437 4.407 -20.036 1.00 0.01 N ATOM 2460 CA GLU A 155 14.766 4.986 -19.661 1.00 0.01 C ATOM 2461 C GLU A 155 14.538 6.340 -18.991 1.00 0.01 C ATOM 2462 O GLU A 155 14.103 7.285 -19.617 1.00 0.01 O ATOM 2463 CB GLU A 155 15.611 5.179 -20.922 1.00 0.01 C ATOM 2464 CG GLU A 155 15.588 3.897 -21.757 1.00 0.01 C ATOM 2465 CD GLU A 155 16.484 4.068 -22.985 1.00 0.01 C ATOM 2466 OE1 GLU A 155 16.725 5.202 -23.363 1.00 0.01 O ATOM 2467 OE2 GLU A 155 16.913 3.063 -23.525 1.00 0.01 O ATOM 0 H GLU A 155 12.995 4.837 -20.848 1.00 0.01 H new ATOM 0 HA GLU A 155 15.286 4.314 -18.978 1.00 0.01 H new ATOM 0 HB2 GLU A 155 15.224 6.013 -21.507 1.00 0.01 H new ATOM 0 HB3 GLU A 155 16.636 5.429 -20.650 1.00 0.01 H new ATOM 0 HG2 GLU A 155 15.933 3.054 -21.158 1.00 0.01 H new ATOM 0 HG3 GLU A 155 14.568 3.671 -22.067 1.00 0.01 H new ATOM 2474 N TYR A 156 14.815 6.439 -17.715 1.00 0.00 N ATOM 2475 CA TYR A 156 14.600 7.731 -16.995 1.00 0.01 C ATOM 2476 C TYR A 156 15.921 8.497 -16.896 1.00 0.01 C ATOM 2477 O TYR A 156 16.836 8.088 -16.209 1.00 0.01 O ATOM 2478 CB TYR A 156 14.059 7.433 -15.595 1.00 0.01 C ATOM 2479 CG TYR A 156 12.975 6.381 -15.682 1.00 0.00 C ATOM 2480 CD1 TYR A 156 11.697 6.729 -16.139 1.00 0.01 C ATOM 2481 CD2 TYR A 156 13.248 5.059 -15.306 1.00 0.01 C ATOM 2482 CE1 TYR A 156 10.694 5.755 -16.219 1.00 0.01 C ATOM 2483 CE2 TYR A 156 12.244 4.087 -15.386 1.00 0.01 C ATOM 2484 CZ TYR A 156 10.967 4.435 -15.843 1.00 0.01 C ATOM 2485 OH TYR A 156 9.979 3.475 -15.923 1.00 0.01 O ATOM 0 H TYR A 156 15.181 5.680 -17.140 1.00 0.00 H new ATOM 0 HA TYR A 156 13.883 8.344 -17.541 1.00 0.01 H new ATOM 0 HB2 TYR A 156 14.865 7.086 -14.949 1.00 0.01 H new ATOM 0 HB3 TYR A 156 13.661 8.343 -15.147 1.00 0.01 H new ATOM 0 HD1 TYR A 156 11.486 7.748 -16.429 1.00 0.01 H new ATOM 0 HD2 TYR A 156 14.233 4.790 -14.954 1.00 0.01 H new ATOM 0 HE1 TYR A 156 9.709 6.023 -16.571 1.00 0.01 H new ATOM 0 HE2 TYR A 156 12.454 3.068 -15.095 1.00 0.01 H new ATOM 0 HH TYR A 156 9.154 3.882 -16.260 1.00 0.01 H new ATOM 2495 N ARG A 157 16.042 9.591 -17.602 1.00 0.01 N ATOM 2496 CA ARG A 157 17.323 10.363 -17.576 1.00 0.01 C ATOM 2497 C ARG A 157 17.264 11.496 -16.547 1.00 0.00 C ATOM 2498 O ARG A 157 18.290 11.957 -16.086 1.00 0.01 O ATOM 2499 CB ARG A 157 17.568 10.964 -18.963 1.00 0.01 C ATOM 2500 CG ARG A 157 17.503 9.860 -20.021 1.00 0.01 C ATOM 2501 CD ARG A 157 17.709 10.471 -21.408 1.00 0.00 C ATOM 2502 NE ARG A 157 17.422 9.446 -22.451 1.00 0.01 N ATOM 2503 CZ ARG A 157 17.238 9.811 -23.691 1.00 0.01 C ATOM 2504 NH1 ARG A 157 17.306 11.072 -24.018 1.00 0.01 N ATOM 2505 NH2 ARG A 157 16.987 8.911 -24.603 1.00 0.01 N ATOM 0 H ARG A 157 15.311 9.984 -18.195 1.00 0.01 H new ATOM 0 HA ARG A 157 18.131 9.686 -17.300 1.00 0.01 H new ATOM 0 HB2 ARG A 157 16.822 11.729 -19.176 1.00 0.01 H new ATOM 0 HB3 ARG A 157 18.542 11.452 -18.992 1.00 0.01 H new ATOM 0 HG2 ARG A 157 18.268 9.109 -19.826 1.00 0.01 H new ATOM 0 HG3 ARG A 157 16.539 9.353 -19.975 1.00 0.01 H new ATOM 0 HD2 ARG A 157 17.053 11.332 -21.539 1.00 0.00 H new ATOM 0 HD3 ARG A 157 18.733 10.832 -21.510 1.00 0.00 H new ATOM 0 HE ARG A 157 17.369 8.460 -22.196 1.00 0.01 H new ATOM 0 HH11 ARG A 157 17.503 11.774 -23.305 1.00 0.01 H new ATOM 0 HH12 ARG A 157 17.162 11.356 -24.987 1.00 0.01 H new ATOM 0 HH21 ARG A 157 16.935 7.925 -24.346 1.00 0.01 H new ATOM 0 HH22 ARG A 157 16.843 9.194 -25.572 1.00 0.01 H new ATOM 2519 N LYS A 158 16.090 11.947 -16.170 1.00 0.01 N ATOM 2520 CA LYS A 158 15.981 13.048 -15.155 1.00 0.01 C ATOM 2521 C LYS A 158 15.028 12.588 -14.034 1.00 0.01 C ATOM 2522 O LYS A 158 14.166 11.768 -14.268 1.00 0.01 O ATOM 2523 CB LYS A 158 15.400 14.294 -15.847 1.00 0.58 C ATOM 2524 CG LYS A 158 16.522 15.079 -16.541 1.00 0.97 C ATOM 2525 CD LYS A 158 15.963 16.376 -17.145 1.00 1.44 C ATOM 2526 CE LYS A 158 15.271 16.085 -18.482 1.00 2.13 C ATOM 2527 NZ LYS A 158 14.901 17.371 -19.138 1.00 2.54 N ATOM 0 H LYS A 158 15.198 11.599 -16.522 1.00 0.01 H new ATOM 0 HA LYS A 158 16.958 13.283 -14.733 1.00 0.01 H new ATOM 0 HB2 LYS A 158 14.647 13.997 -16.577 1.00 0.58 H new ATOM 0 HB3 LYS A 158 14.901 14.928 -15.114 1.00 0.58 H new ATOM 0 HG2 LYS A 158 17.310 15.312 -15.825 1.00 0.97 H new ATOM 0 HG3 LYS A 158 16.973 14.469 -17.324 1.00 0.97 H new ATOM 0 HD2 LYS A 158 15.255 16.832 -16.453 1.00 1.44 H new ATOM 0 HD3 LYS A 158 16.770 17.093 -17.294 1.00 1.44 H new ATOM 0 HE2 LYS A 158 15.934 15.511 -19.130 1.00 2.13 H new ATOM 0 HE3 LYS A 158 14.381 15.478 -18.319 1.00 2.13 H new ATOM 0 HZ1 LYS A 158 14.431 17.175 -20.045 1.00 2.54 H new ATOM 0 HZ2 LYS A 158 14.254 17.902 -18.521 1.00 2.54 H new ATOM 0 HZ3 LYS A 158 15.759 17.934 -19.307 1.00 2.54 H new ATOM 2541 N PRO A 159 15.142 13.121 -12.837 1.00 0.01 N ATOM 2542 CA PRO A 159 14.210 12.723 -11.739 1.00 0.02 C ATOM 2543 C PRO A 159 12.760 13.048 -12.128 1.00 0.01 C ATOM 2544 O PRO A 159 11.847 12.315 -11.805 1.00 0.01 O ATOM 2545 CB PRO A 159 14.701 13.585 -10.557 1.00 0.41 C ATOM 2546 CG PRO A 159 15.721 14.605 -11.100 1.00 0.70 C ATOM 2547 CD PRO A 159 16.176 14.135 -12.489 1.00 0.28 C ATOM 0 HA PRO A 159 14.212 11.657 -11.511 1.00 0.02 H new ATOM 0 HB2 PRO A 159 13.863 14.099 -10.086 1.00 0.41 H new ATOM 0 HB3 PRO A 159 15.160 12.957 -9.793 1.00 0.41 H new ATOM 0 HG2 PRO A 159 15.271 15.596 -11.162 1.00 0.70 H new ATOM 0 HG3 PRO A 159 16.575 14.684 -10.427 1.00 0.70 H new ATOM 0 HD2 PRO A 159 16.200 14.954 -13.208 1.00 0.28 H new ATOM 0 HD3 PRO A 159 17.177 13.703 -12.464 1.00 0.28 H new ATOM 2555 N VAL A 160 12.537 14.134 -12.809 1.00 0.01 N ATOM 2556 CA VAL A 160 11.145 14.488 -13.202 1.00 0.02 C ATOM 2557 C VAL A 160 10.579 13.387 -14.100 1.00 0.02 C ATOM 2558 O VAL A 160 9.380 13.256 -14.251 1.00 0.02 O ATOM 2559 CB VAL A 160 11.154 15.814 -13.964 1.00 0.14 C ATOM 2560 CG1 VAL A 160 9.716 16.281 -14.192 1.00 0.86 C ATOM 2561 CG2 VAL A 160 11.905 16.867 -13.147 1.00 0.74 C ATOM 0 H VAL A 160 13.256 14.792 -13.111 1.00 0.01 H new ATOM 0 HA VAL A 160 10.526 14.586 -12.310 1.00 0.02 H new ATOM 0 HB VAL A 160 11.650 15.676 -14.925 1.00 0.14 H new ATOM 0 HG11 VAL A 160 9.722 17.226 -14.735 1.00 0.86 H new ATOM 0 HG12 VAL A 160 9.178 15.532 -14.773 1.00 0.86 H new ATOM 0 HG13 VAL A 160 9.221 16.418 -13.230 1.00 0.86 H new ATOM 0 HG21 VAL A 160 11.912 17.812 -13.690 1.00 0.74 H new ATOM 0 HG22 VAL A 160 11.409 17.004 -12.186 1.00 0.74 H new ATOM 0 HG23 VAL A 160 12.930 16.536 -12.982 1.00 0.74 H new ATOM 2571 N ASP A 161 11.419 12.593 -14.698 1.00 0.00 N ATOM 2572 CA ASP A 161 10.895 11.516 -15.579 1.00 0.01 C ATOM 2573 C ASP A 161 10.119 10.483 -14.749 1.00 0.01 C ATOM 2574 O ASP A 161 9.351 9.706 -15.278 1.00 0.01 O ATOM 2575 CB ASP A 161 12.054 10.827 -16.299 1.00 0.00 C ATOM 2576 CG ASP A 161 12.774 11.838 -17.192 1.00 0.02 C ATOM 2577 OD1 ASP A 161 12.343 12.980 -17.228 1.00 0.00 O ATOM 2578 OD2 ASP A 161 13.742 11.455 -17.827 1.00 0.00 O ATOM 0 H ASP A 161 12.435 12.641 -14.617 1.00 0.00 H new ATOM 0 HA ASP A 161 10.223 11.959 -16.314 1.00 0.01 H new ATOM 0 HB2 ASP A 161 12.750 10.408 -15.572 1.00 0.00 H new ATOM 0 HB3 ASP A 161 11.681 9.997 -16.899 1.00 0.00 H new ATOM 2583 N TRP A 162 10.290 10.487 -13.445 1.00 0.01 N ATOM 2584 CA TRP A 162 9.531 9.520 -12.586 1.00 0.01 C ATOM 2585 C TRP A 162 8.302 10.230 -12.016 1.00 0.01 C ATOM 2586 O TRP A 162 7.626 9.711 -11.150 1.00 0.01 O ATOM 2587 CB TRP A 162 10.382 9.045 -11.402 1.00 0.01 C ATOM 2588 CG TRP A 162 11.679 8.471 -11.871 1.00 0.02 C ATOM 2589 CD1 TRP A 162 11.840 7.645 -12.931 1.00 0.01 C ATOM 2590 CD2 TRP A 162 13.003 8.656 -11.294 1.00 0.01 C ATOM 2591 NE1 TRP A 162 13.180 7.316 -13.041 1.00 0.01 N ATOM 2592 CE2 TRP A 162 13.937 7.918 -12.056 1.00 0.01 C ATOM 2593 CE3 TRP A 162 13.479 9.391 -10.193 1.00 0.01 C ATOM 2594 CZ2 TRP A 162 15.296 7.908 -11.737 1.00 0.01 C ATOM 2595 CZ3 TRP A 162 14.844 9.384 -9.868 1.00 0.01 C ATOM 2596 CH2 TRP A 162 15.751 8.644 -10.639 1.00 0.01 C ATOM 0 H TRP A 162 10.918 11.114 -12.942 1.00 0.01 H new ATOM 0 HA TRP A 162 9.255 8.663 -13.200 1.00 0.01 H new ATOM 0 HB2 TRP A 162 10.572 9.880 -10.728 1.00 0.01 H new ATOM 0 HB3 TRP A 162 9.833 8.295 -10.833 1.00 0.01 H new ATOM 0 HD1 TRP A 162 11.052 7.299 -13.584 1.00 0.01 H new ATOM 0 HE1 TRP A 162 13.562 6.704 -13.762 1.00 0.01 H new ATOM 0 HE3 TRP A 162 12.788 9.965 -9.593 1.00 0.01 H new ATOM 0 HZ2 TRP A 162 15.991 7.336 -12.334 1.00 0.01 H new ATOM 0 HZ3 TRP A 162 15.197 9.951 -9.020 1.00 0.01 H new ATOM 0 HH2 TRP A 162 16.801 8.642 -10.385 1.00 0.01 H new ATOM 2607 N GLY A 163 7.986 11.396 -12.504 1.00 0.02 N ATOM 2608 CA GLY A 163 6.780 12.108 -11.998 1.00 0.01 C ATOM 2609 C GLY A 163 7.077 12.799 -10.664 1.00 0.01 C ATOM 2610 O GLY A 163 6.183 13.244 -9.974 1.00 0.01 O ATOM 0 H GLY A 163 8.509 11.886 -13.230 1.00 0.02 H new ATOM 0 HA2 GLY A 163 6.454 12.846 -12.731 1.00 0.01 H new ATOM 0 HA3 GLY A 163 5.960 11.400 -11.872 1.00 0.01 H new ATOM 2614 N ALA A 164 8.329 12.869 -10.281 1.00 0.01 N ATOM 2615 CA ALA A 164 8.690 13.504 -8.975 1.00 0.02 C ATOM 2616 C ALA A 164 9.193 14.929 -9.205 1.00 0.01 C ATOM 2617 O ALA A 164 9.896 15.213 -10.154 1.00 0.02 O ATOM 2618 CB ALA A 164 9.821 12.698 -8.336 1.00 0.01 C ATOM 0 H ALA A 164 9.119 12.512 -10.819 1.00 0.01 H new ATOM 0 HA ALA A 164 7.810 13.525 -8.332 1.00 0.02 H new ATOM 0 HB1 ALA A 164 10.095 13.149 -7.382 1.00 0.01 H new ATOM 0 HB2 ALA A 164 9.489 11.673 -8.170 1.00 0.01 H new ATOM 0 HB3 ALA A 164 10.686 12.696 -8.999 1.00 0.01 H new ATOM 2624 N ALA A 165 8.829 15.827 -8.332 1.00 0.02 N ATOM 2625 CA ALA A 165 9.271 17.245 -8.471 1.00 0.01 C ATOM 2626 C ALA A 165 10.656 17.435 -7.840 1.00 0.02 C ATOM 2627 O ALA A 165 11.267 18.474 -7.991 1.00 0.01 O ATOM 2628 CB ALA A 165 8.274 18.166 -7.765 1.00 0.59 C ATOM 0 H ALA A 165 8.239 15.638 -7.521 1.00 0.02 H new ATOM 0 HA ALA A 165 9.320 17.492 -9.532 1.00 0.01 H new ATOM 0 HB1 ALA A 165 8.599 19.201 -7.868 1.00 0.59 H new ATOM 0 HB2 ALA A 165 7.288 18.049 -8.215 1.00 0.59 H new ATOM 0 HB3 ALA A 165 8.223 17.905 -6.708 1.00 0.59 H new ATOM 2634 N SER A 166 11.171 16.448 -7.144 1.00 0.01 N ATOM 2635 CA SER A 166 12.527 16.588 -6.519 1.00 0.01 C ATOM 2636 C SER A 166 13.259 15.229 -6.583 1.00 0.02 C ATOM 2637 O SER A 166 12.621 14.195 -6.558 1.00 0.01 O ATOM 2638 CB SER A 166 12.367 17.006 -5.056 1.00 0.72 C ATOM 2639 OG SER A 166 12.146 15.851 -4.257 1.00 0.87 O ATOM 0 H SER A 166 10.711 15.552 -6.982 1.00 0.01 H new ATOM 0 HA SER A 166 13.103 17.342 -7.055 1.00 0.01 H new ATOM 0 HB2 SER A 166 13.260 17.531 -4.717 1.00 0.72 H new ATOM 0 HB3 SER A 166 11.531 17.698 -4.953 1.00 0.72 H new ATOM 0 HG SER A 166 12.045 16.117 -3.319 1.00 0.87 H new ATOM 2645 N PRO A 167 14.581 15.205 -6.647 1.00 0.02 N ATOM 2646 CA PRO A 167 15.326 13.907 -6.689 1.00 0.01 C ATOM 2647 C PRO A 167 15.381 13.221 -5.315 1.00 0.01 C ATOM 2648 O PRO A 167 16.227 12.380 -5.067 1.00 0.01 O ATOM 2649 CB PRO A 167 16.730 14.368 -7.110 1.00 0.38 C ATOM 2650 CG PRO A 167 16.854 15.852 -6.739 1.00 0.35 C ATOM 2651 CD PRO A 167 15.432 16.438 -6.691 1.00 0.22 C ATOM 0 HA PRO A 167 14.865 13.173 -7.350 1.00 0.01 H new ATOM 0 HB2 PRO A 167 17.495 13.780 -6.603 1.00 0.38 H new ATOM 0 HB3 PRO A 167 16.876 14.226 -8.181 1.00 0.38 H new ATOM 0 HG2 PRO A 167 17.348 15.966 -5.774 1.00 0.35 H new ATOM 0 HG3 PRO A 167 17.462 16.381 -7.473 1.00 0.35 H new ATOM 0 HD2 PRO A 167 15.281 17.068 -5.814 1.00 0.22 H new ATOM 0 HD3 PRO A 167 15.215 17.051 -7.566 1.00 0.22 H new ATOM 2659 N ALA A 168 14.519 13.597 -4.406 1.00 0.01 N ATOM 2660 CA ALA A 168 14.579 12.983 -3.048 1.00 0.01 C ATOM 2661 C ALA A 168 13.874 11.625 -3.019 1.00 0.01 C ATOM 2662 O ALA A 168 12.698 11.496 -3.292 1.00 0.02 O ATOM 2663 CB ALA A 168 13.897 13.917 -2.045 1.00 0.18 C ATOM 0 H ALA A 168 13.786 14.293 -4.543 1.00 0.01 H new ATOM 0 HA ALA A 168 15.627 12.834 -2.786 1.00 0.01 H new ATOM 0 HB1 ALA A 168 13.937 13.474 -1.050 1.00 0.18 H new ATOM 0 HB2 ALA A 168 14.411 14.878 -2.035 1.00 0.18 H new ATOM 0 HB3 ALA A 168 12.857 14.065 -2.335 1.00 0.18 H new ATOM 2669 N ILE A 169 14.629 10.626 -2.645 1.00 0.01 N ATOM 2670 CA ILE A 169 14.117 9.227 -2.530 1.00 0.01 C ATOM 2671 C ILE A 169 14.951 8.565 -1.421 1.00 0.01 C ATOM 2672 O ILE A 169 16.166 8.577 -1.470 1.00 0.01 O ATOM 2673 CB ILE A 169 14.307 8.518 -3.896 1.00 1.81 C ATOM 2674 CG1 ILE A 169 13.053 8.697 -4.767 1.00 2.75 C ATOM 2675 CG2 ILE A 169 14.571 7.021 -3.709 1.00 2.24 C ATOM 2676 CD1 ILE A 169 13.364 8.275 -6.205 1.00 3.99 C ATOM 0 H ILE A 169 15.615 10.726 -2.406 1.00 0.01 H new ATOM 0 HA ILE A 169 13.057 9.176 -2.281 1.00 0.01 H new ATOM 0 HB ILE A 169 15.168 8.972 -4.387 1.00 1.81 H new ATOM 0 HG12 ILE A 169 12.233 8.098 -4.370 1.00 2.75 H new ATOM 0 HG13 ILE A 169 12.727 9.737 -4.745 1.00 2.75 H new ATOM 0 HG21 ILE A 169 14.700 6.550 -4.683 1.00 2.24 H new ATOM 0 HG22 ILE A 169 15.475 6.882 -3.116 1.00 2.24 H new ATOM 0 HG23 ILE A 169 13.726 6.564 -3.194 1.00 2.24 H new ATOM 0 HD11 ILE A 169 12.474 8.402 -6.822 1.00 3.99 H new ATOM 0 HD12 ILE A 169 14.170 8.893 -6.599 1.00 3.99 H new ATOM 0 HD13 ILE A 169 13.669 7.229 -6.219 1.00 3.99 H new ATOM 2688 N GLN A 170 14.316 8.038 -0.393 1.00 0.01 N ATOM 2689 CA GLN A 170 15.083 7.435 0.752 1.00 0.01 C ATOM 2690 C GLN A 170 14.893 5.913 0.871 1.00 0.02 C ATOM 2691 O GLN A 170 15.635 5.276 1.594 1.00 0.01 O ATOM 2692 CB GLN A 170 14.618 8.104 2.058 1.00 2.62 C ATOM 2693 CG GLN A 170 15.284 9.479 2.216 1.00 3.39 C ATOM 2694 CD GLN A 170 15.158 10.279 0.914 1.00 4.36 C ATOM 2695 OE1 GLN A 170 14.100 10.339 0.322 1.00 4.83 O ATOM 2696 NE2 GLN A 170 16.205 10.899 0.444 1.00 5.17 N ATOM 0 H GLN A 170 13.301 8.000 -0.298 1.00 0.01 H new ATOM 0 HA GLN A 170 16.143 7.609 0.565 1.00 0.01 H new ATOM 0 HB2 GLN A 170 13.534 8.216 2.052 1.00 2.62 H new ATOM 0 HB3 GLN A 170 14.869 7.471 2.909 1.00 2.62 H new ATOM 0 HG2 GLN A 170 14.816 10.026 3.035 1.00 3.39 H new ATOM 0 HG3 GLN A 170 16.335 9.355 2.475 1.00 3.39 H new ATOM 0 HE21 GLN A 170 17.094 10.848 0.942 1.00 5.17 H new ATOM 0 HE22 GLN A 170 16.135 11.435 -0.421 1.00 5.17 H new ATOM 2705 N SER A 171 13.947 5.288 0.214 1.00 0.01 N ATOM 2706 CA SER A 171 13.825 3.801 0.394 1.00 0.01 C ATOM 2707 C SER A 171 13.110 3.182 -0.805 1.00 0.01 C ATOM 2708 O SER A 171 12.409 3.849 -1.539 1.00 0.01 O ATOM 2709 CB SER A 171 13.028 3.509 1.664 1.00 0.01 C ATOM 2710 OG SER A 171 13.651 4.158 2.759 1.00 0.02 O ATOM 0 H SER A 171 13.274 5.721 -0.419 1.00 0.01 H new ATOM 0 HA SER A 171 14.823 3.370 0.475 1.00 0.01 H new ATOM 0 HB2 SER A 171 12.002 3.859 1.553 1.00 0.01 H new ATOM 0 HB3 SER A 171 12.981 2.434 1.840 1.00 0.01 H new ATOM 0 HG SER A 171 13.727 3.533 3.510 1.00 0.02 H new ATOM 2716 N PHE A 172 13.262 1.892 -0.998 1.00 0.01 N ATOM 2717 CA PHE A 172 12.565 1.228 -2.141 1.00 0.01 C ATOM 2718 C PHE A 172 12.303 -0.250 -1.819 1.00 0.01 C ATOM 2719 O PHE A 172 13.014 -0.870 -1.049 1.00 0.01 O ATOM 2720 CB PHE A 172 13.407 1.354 -3.419 1.00 1.06 C ATOM 2721 CG PHE A 172 14.699 0.587 -3.277 1.00 0.75 C ATOM 2722 CD1 PHE A 172 14.707 -0.803 -3.440 1.00 0.75 C ATOM 2723 CD2 PHE A 172 15.892 1.266 -2.993 1.00 1.29 C ATOM 2724 CE1 PHE A 172 15.904 -1.513 -3.317 1.00 1.16 C ATOM 2725 CE2 PHE A 172 17.090 0.553 -2.873 1.00 2.02 C ATOM 2726 CZ PHE A 172 17.096 -0.837 -3.034 1.00 1.92 C ATOM 0 H PHE A 172 13.833 1.277 -0.418 1.00 0.01 H new ATOM 0 HA PHE A 172 11.607 1.723 -2.303 1.00 0.01 H new ATOM 0 HB2 PHE A 172 12.844 0.975 -4.272 1.00 1.06 H new ATOM 0 HB3 PHE A 172 13.620 2.404 -3.619 1.00 1.06 H new ATOM 0 HD1 PHE A 172 13.788 -1.326 -3.661 1.00 0.75 H new ATOM 0 HD2 PHE A 172 15.887 2.339 -2.867 1.00 1.29 H new ATOM 0 HE1 PHE A 172 15.909 -2.586 -3.441 1.00 1.16 H new ATOM 0 HE2 PHE A 172 18.010 1.075 -2.656 1.00 2.02 H new ATOM 0 HZ PHE A 172 18.020 -1.388 -2.940 1.00 1.92 H new ATOM 2736 N ARG A 173 11.267 -0.814 -2.395 1.00 0.01 N ATOM 2737 CA ARG A 173 10.921 -2.245 -2.113 1.00 0.01 C ATOM 2738 C ARG A 173 10.355 -2.911 -3.370 1.00 0.01 C ATOM 2739 O ARG A 173 9.762 -2.272 -4.219 1.00 0.01 O ATOM 2740 CB ARG A 173 9.843 -2.309 -1.021 1.00 0.01 C ATOM 2741 CG ARG A 173 10.453 -2.012 0.348 1.00 0.01 C ATOM 2742 CD ARG A 173 9.330 -1.795 1.366 1.00 0.01 C ATOM 2743 NE ARG A 173 8.249 -2.799 1.148 1.00 0.01 N ATOM 2744 CZ ARG A 173 7.350 -3.001 2.074 1.00 0.01 C ATOM 2745 NH1 ARG A 173 7.402 -2.327 3.192 1.00 0.01 N ATOM 2746 NH2 ARG A 173 6.400 -3.875 1.883 1.00 0.01 N ATOM 0 H ARG A 173 10.644 -0.343 -3.051 1.00 0.01 H new ATOM 0 HA ARG A 173 11.827 -2.760 -1.792 1.00 0.01 H new ATOM 0 HB2 ARG A 173 9.053 -1.590 -1.238 1.00 0.01 H new ATOM 0 HB3 ARG A 173 9.382 -3.296 -1.014 1.00 0.01 H new ATOM 0 HG2 ARG A 173 11.090 -2.839 0.662 1.00 0.01 H new ATOM 0 HG3 ARG A 173 11.086 -1.126 0.293 1.00 0.01 H new ATOM 0 HD2 ARG A 173 9.723 -1.884 2.379 1.00 0.01 H new ATOM 0 HD3 ARG A 173 8.928 -0.787 1.268 1.00 0.01 H new ATOM 0 HE ARG A 173 8.212 -3.328 0.276 1.00 0.01 H new ATOM 0 HH11 ARG A 173 8.144 -1.644 3.341 1.00 0.01 H new ATOM 0 HH12 ARG A 173 6.700 -2.484 3.915 1.00 0.01 H new ATOM 0 HH21 ARG A 173 6.359 -4.401 1.010 1.00 0.01 H new ATOM 0 HH22 ARG A 173 5.698 -4.032 2.607 1.00 0.01 H new ATOM 2760 N ARG A 174 10.524 -4.204 -3.476 1.00 0.01 N ATOM 2761 CA ARG A 174 9.989 -4.950 -4.652 1.00 0.01 C ATOM 2762 C ARG A 174 8.556 -5.417 -4.357 1.00 0.01 C ATOM 2763 O ARG A 174 8.237 -5.808 -3.252 1.00 0.01 O ATOM 2764 CB ARG A 174 10.870 -6.172 -4.925 1.00 0.01 C ATOM 2765 CG ARG A 174 10.844 -7.098 -3.708 1.00 0.01 C ATOM 2766 CD ARG A 174 11.967 -8.130 -3.825 1.00 0.01 C ATOM 2767 NE ARG A 174 11.868 -8.823 -5.140 1.00 0.01 N ATOM 2768 CZ ARG A 174 12.875 -9.522 -5.588 1.00 0.01 C ATOM 2769 NH1 ARG A 174 13.972 -9.612 -4.886 1.00 0.01 N ATOM 2770 NH2 ARG A 174 12.784 -10.131 -6.738 1.00 0.01 N ATOM 0 H ARG A 174 11.014 -4.779 -2.791 1.00 0.01 H new ATOM 0 HA ARG A 174 9.988 -4.296 -5.524 1.00 0.01 H new ATOM 0 HB2 ARG A 174 10.512 -6.703 -5.807 1.00 0.01 H new ATOM 0 HB3 ARG A 174 11.892 -5.858 -5.135 1.00 0.01 H new ATOM 0 HG2 ARG A 174 10.964 -6.517 -2.794 1.00 0.01 H new ATOM 0 HG3 ARG A 174 9.879 -7.601 -3.642 1.00 0.01 H new ATOM 0 HD2 ARG A 174 12.937 -7.641 -3.732 1.00 0.01 H new ATOM 0 HD3 ARG A 174 11.896 -8.854 -3.014 1.00 0.01 H new ATOM 0 HE ARG A 174 11.012 -8.751 -5.691 1.00 0.01 H new ATOM 0 HH11 ARG A 174 14.043 -9.136 -3.987 1.00 0.01 H new ATOM 0 HH12 ARG A 174 14.759 -10.159 -5.237 1.00 0.01 H new ATOM 0 HH21 ARG A 174 11.927 -10.061 -7.286 1.00 0.01 H new ATOM 0 HH22 ARG A 174 13.570 -10.678 -7.089 1.00 0.01 H new ATOM 2784 N ILE A 175 7.702 -5.403 -5.349 1.00 0.01 N ATOM 2785 CA ILE A 175 6.294 -5.877 -5.137 1.00 0.01 C ATOM 2786 C ILE A 175 6.206 -7.344 -5.566 1.00 0.00 C ATOM 2787 O ILE A 175 6.642 -7.701 -6.642 1.00 0.01 O ATOM 2788 CB ILE A 175 5.298 -5.048 -5.968 1.00 1.52 C ATOM 2789 CG1 ILE A 175 5.670 -3.566 -5.907 1.00 2.51 C ATOM 2790 CG2 ILE A 175 3.885 -5.229 -5.404 1.00 1.75 C ATOM 2791 CD1 ILE A 175 4.695 -2.768 -6.779 1.00 3.04 C ATOM 0 H ILE A 175 7.915 -5.086 -6.295 1.00 0.01 H new ATOM 0 HA ILE A 175 6.038 -5.763 -4.084 1.00 0.01 H new ATOM 0 HB ILE A 175 5.333 -5.389 -7.003 1.00 1.52 H new ATOM 0 HG12 ILE A 175 5.631 -3.211 -4.877 1.00 2.51 H new ATOM 0 HG13 ILE A 175 6.692 -3.420 -6.256 1.00 2.51 H new ATOM 0 HG21 ILE A 175 3.180 -4.642 -5.993 1.00 1.75 H new ATOM 0 HG22 ILE A 175 3.607 -6.282 -5.450 1.00 1.75 H new ATOM 0 HG23 ILE A 175 3.861 -4.892 -4.368 1.00 1.75 H new ATOM 0 HD11 ILE A 175 4.954 -1.710 -6.740 1.00 3.04 H new ATOM 0 HD12 ILE A 175 4.757 -3.119 -7.809 1.00 3.04 H new ATOM 0 HD13 ILE A 175 3.679 -2.906 -6.409 1.00 3.04 H new ATOM 2803 N VAL A 176 5.654 -8.199 -4.742 1.00 0.01 N ATOM 2804 CA VAL A 176 5.546 -9.648 -5.110 1.00 0.00 C ATOM 2805 C VAL A 176 4.156 -10.174 -4.745 1.00 0.01 C ATOM 2806 O VAL A 176 3.551 -9.746 -3.781 1.00 0.00 O ATOM 2807 CB VAL A 176 6.597 -10.449 -4.338 1.00 1.38 C ATOM 2808 CG1 VAL A 176 6.381 -10.257 -2.836 1.00 1.88 C ATOM 2809 CG2 VAL A 176 6.463 -11.933 -4.688 1.00 1.89 C ATOM 0 H VAL A 176 5.272 -7.957 -3.828 1.00 0.01 H new ATOM 0 HA VAL A 176 5.708 -9.756 -6.182 1.00 0.00 H new ATOM 0 HB VAL A 176 7.593 -10.100 -4.609 1.00 1.38 H new ATOM 0 HG11 VAL A 176 7.129 -10.827 -2.285 1.00 1.88 H new ATOM 0 HG12 VAL A 176 6.475 -9.200 -2.587 1.00 1.88 H new ATOM 0 HG13 VAL A 176 5.385 -10.607 -2.564 1.00 1.88 H new ATOM 0 HG21 VAL A 176 7.211 -12.505 -4.139 1.00 1.89 H new ATOM 0 HG22 VAL A 176 5.467 -12.282 -4.416 1.00 1.89 H new ATOM 0 HG23 VAL A 176 6.616 -12.070 -5.759 1.00 1.89 H new ATOM 2819 N GLU A 177 3.646 -11.099 -5.511 1.00 0.01 N ATOM 2820 CA GLU A 177 2.296 -11.660 -5.221 1.00 0.01 C ATOM 2821 C GLU A 177 2.356 -12.504 -3.946 1.00 0.01 C ATOM 2822 CB GLU A 177 1.848 -12.538 -6.391 1.00 2.15 C ATOM 2823 CG GLU A 177 0.421 -13.028 -6.147 1.00 3.19 C ATOM 2824 CD GLU A 177 -0.108 -13.705 -7.413 1.00 4.20 C ATOM 2825 OE1 GLU A 177 0.664 -14.399 -8.054 1.00 4.89 O ATOM 2826 OE2 GLU A 177 -1.272 -13.517 -7.719 1.00 4.77 O ATOM 0 H GLU A 177 4.109 -11.493 -6.330 1.00 0.01 H new ATOM 0 HA GLU A 177 1.586 -10.844 -5.084 1.00 0.01 H new ATOM 0 HB2 GLU A 177 1.895 -11.973 -7.322 1.00 2.15 H new ATOM 0 HB3 GLU A 177 2.522 -13.388 -6.500 1.00 2.15 H new ATOM 0 HG2 GLU A 177 0.403 -13.729 -5.312 1.00 3.19 H new ATOM 0 HG3 GLU A 177 -0.221 -12.191 -5.874 1.00 3.19 H new