USER MOD reduce.3.24.130724 H: found=0, std=0, add=777, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 777 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 82 SER OG : rot -81:sc= -0.662 USER MOD Set 1.2: A 84 ASN : amide:sc= -10.4! C(o=-11!,f=-25!) USER MOD Set 2.1: A 78 SER OG : rot 180:sc= -0.293 USER MOD Set 2.2: A 92 MET CE :methyl 162:sc= -0.276 (180deg=-1.12) USER MOD Set 3.1: A 20 ASN : amide:sc= -2.88! C(o=-7.7!,f=-12!) USER MOD Set 3.2: A 61 LYS NZ :NH3+ -108:sc= -4.8! (180deg=-1.9!) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 CYS SG : rot 25:sc= -5.26! USER MOD Single : A 12 ASN : amide:sc= -1.14 K(o=-1.1,f=-3.1!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -115:sc= -3.46! (180deg=-6.92!) USER MOD Single : A 23 GLN : amide:sc= 1.07 K(o=1.1,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 126:sc= 1.81! USER MOD Single : A 27 ASN : amide:sc=-0.00846 X(o=-0.0085,f=-0.046) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ -159:sc= -0.0192 (180deg=-0.547) USER MOD Single : A 36 TYR OH : rot -177:sc= -2.12 USER MOD Single : A 37 SER OG : rot 25:sc= 1.01 USER MOD Single : A 39 THR OG1 : rot 35:sc= 0.636 USER MOD Single : A 41 GLN : amide:sc= 0.0136 X(o=0.014,f=-0.23) USER MOD Single : A 45 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0792) USER MOD Single : A 57 THR OG1 : rot -150:sc= -0.756 USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.625 USER MOD Single : A 64 GLN :FLIP amide:sc= 0 F(o=-1.4!,f=0) USER MOD Single : A 73 LYS NZ :NH3+ -109:sc= -1.06 (180deg=-1.71!) USER MOD Single : A 74 TYR OH : rot 180:sc= -0.588 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HE2:sc= -6.8! C(o=-6.8!,f=-12!) USER MOD Single : A 83 SER OG : rot 104:sc= 1.41 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot -140:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 13 N TRP A 2 9.415 -11.723 -6.782 1.00 0.00 N ATOM 14 CA TRP A 2 8.245 -10.824 -6.920 1.00 0.00 C ATOM 15 C TRP A 2 7.034 -11.390 -6.186 1.00 0.00 C ATOM 16 O TRP A 2 6.331 -12.220 -6.708 1.00 0.00 O ATOM 17 CB TRP A 2 7.903 -10.723 -8.425 1.00 0.00 C ATOM 18 CG TRP A 2 8.437 -9.404 -8.997 1.00 0.00 C ATOM 19 CD1 TRP A 2 9.397 -8.680 -8.438 1.00 0.00 C ATOM 20 CD2 TRP A 2 7.968 -8.820 -10.079 1.00 0.00 C ATOM 21 NE1 TRP A 2 9.484 -7.601 -9.239 1.00 0.00 N ATOM 22 CE2 TRP A 2 8.606 -7.614 -10.308 1.00 0.00 C ATOM 23 CE3 TRP A 2 6.995 -9.258 -10.967 1.00 0.00 C ATOM 24 CZ2 TRP A 2 8.269 -6.850 -11.407 1.00 0.00 C ATOM 25 CZ3 TRP A 2 6.668 -8.490 -12.066 1.00 0.00 C ATOM 26 CH2 TRP A 2 7.305 -7.289 -12.285 1.00 0.00 C ATOM 0 HA TRP A 2 8.486 -9.850 -6.494 1.00 0.00 H new ATOM 0 HB2 TRP A 2 8.339 -11.565 -8.963 1.00 0.00 H new ATOM 0 HB3 TRP A 2 6.824 -10.779 -8.566 1.00 0.00 H new ATOM 0 HD1 TRP A 2 9.972 -8.903 -7.551 1.00 0.00 H new ATOM 0 HE1 TRP A 2 10.141 -6.839 -9.072 1.00 0.00 H new ATOM 0 HE3 TRP A 2 6.494 -10.200 -10.798 1.00 0.00 H new ATOM 0 HZ2 TRP A 2 8.763 -5.905 -11.578 1.00 0.00 H new ATOM 0 HZ3 TRP A 2 5.911 -8.832 -12.756 1.00 0.00 H new ATOM 0 HH2 TRP A 2 7.048 -6.691 -13.147 1.00 0.00 H new ATOM 37 N VAL A 3 6.824 -10.938 -4.975 1.00 0.00 N ATOM 38 CA VAL A 3 5.656 -11.446 -4.200 1.00 0.00 C ATOM 39 C VAL A 3 5.314 -10.509 -3.037 1.00 0.00 C ATOM 40 O VAL A 3 5.810 -10.679 -1.941 1.00 0.00 O ATOM 41 CB VAL A 3 6.021 -12.824 -3.620 1.00 0.00 C ATOM 42 CG1 VAL A 3 5.813 -13.909 -4.687 1.00 0.00 C ATOM 43 CG2 VAL A 3 7.490 -12.814 -3.191 1.00 0.00 C ATOM 0 H VAL A 3 7.403 -10.248 -4.496 1.00 0.00 H new ATOM 0 HA VAL A 3 4.795 -11.507 -4.865 1.00 0.00 H new ATOM 0 HB VAL A 3 5.384 -13.036 -2.761 1.00 0.00 H new ATOM 0 HG11 VAL A 3 6.073 -14.883 -4.271 1.00 0.00 H new ATOM 0 HG12 VAL A 3 4.769 -13.915 -5.001 1.00 0.00 H new ATOM 0 HG13 VAL A 3 6.449 -13.700 -5.547 1.00 0.00 H new ATOM 0 HG21 VAL A 3 7.755 -13.788 -2.779 1.00 0.00 H new ATOM 0 HG22 VAL A 3 8.120 -12.602 -4.055 1.00 0.00 H new ATOM 0 HG23 VAL A 3 7.642 -12.046 -2.433 1.00 0.00 H new ATOM 53 N ILE A 4 4.470 -9.539 -3.289 1.00 0.00 N ATOM 54 CA ILE A 4 4.105 -8.603 -2.196 1.00 0.00 C ATOM 55 C ILE A 4 2.772 -7.856 -2.549 1.00 0.00 C ATOM 56 O ILE A 4 2.761 -6.824 -3.182 1.00 0.00 O ATOM 57 CB ILE A 4 5.314 -7.625 -2.009 1.00 0.00 C ATOM 58 CG1 ILE A 4 5.308 -6.983 -0.598 1.00 0.00 C ATOM 59 CG2 ILE A 4 5.311 -6.522 -3.111 1.00 0.00 C ATOM 60 CD1 ILE A 4 4.263 -5.870 -0.476 1.00 0.00 C ATOM 0 H ILE A 4 4.027 -9.361 -4.191 1.00 0.00 H new ATOM 0 HA ILE A 4 3.918 -9.127 -1.258 1.00 0.00 H new ATOM 0 HB ILE A 4 6.229 -8.210 -2.108 1.00 0.00 H new ATOM 0 HG12 ILE A 4 5.107 -7.751 0.149 1.00 0.00 H new ATOM 0 HG13 ILE A 4 6.296 -6.577 -0.380 1.00 0.00 H new ATOM 0 HG21 ILE A 4 6.160 -5.855 -2.960 1.00 0.00 H new ATOM 0 HG22 ILE A 4 5.386 -6.989 -4.093 1.00 0.00 H new ATOM 0 HG23 ILE A 4 4.385 -5.950 -3.051 1.00 0.00 H new ATOM 0 HD11 ILE A 4 4.295 -5.449 0.529 1.00 0.00 H new ATOM 0 HD12 ILE A 4 4.478 -5.088 -1.204 1.00 0.00 H new ATOM 0 HD13 ILE A 4 3.271 -6.280 -0.666 1.00 0.00 H new ATOM 72 N PRO A 5 1.653 -8.460 -2.160 1.00 0.00 N ATOM 73 CA PRO A 5 0.319 -7.879 -2.420 1.00 0.00 C ATOM 74 C PRO A 5 0.022 -6.547 -1.664 1.00 0.00 C ATOM 75 O PRO A 5 -0.555 -5.632 -2.228 1.00 0.00 O ATOM 76 CB PRO A 5 -0.677 -8.963 -1.948 1.00 0.00 C ATOM 77 CG PRO A 5 0.155 -10.203 -1.485 1.00 0.00 C ATOM 78 CD PRO A 5 1.640 -9.807 -1.551 1.00 0.00 C ATOM 0 HA PRO A 5 0.245 -7.616 -3.475 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -1.292 -8.588 -1.130 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -1.355 -9.237 -2.756 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -0.121 -10.494 -0.471 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -0.043 -11.061 -2.128 1.00 0.00 H new ATOM 0 HD2 PRO A 5 2.089 -9.795 -0.558 1.00 0.00 H new ATOM 0 HD3 PRO A 5 2.211 -10.516 -2.150 1.00 0.00 H new ATOM 86 N PRO A 6 0.405 -6.475 -0.403 1.00 0.00 N ATOM 87 CA PRO A 6 0.174 -5.271 0.408 1.00 0.00 C ATOM 88 C PRO A 6 1.058 -4.095 -0.018 1.00 0.00 C ATOM 89 O PRO A 6 2.222 -4.260 -0.299 1.00 0.00 O ATOM 90 CB PRO A 6 0.550 -5.694 1.843 1.00 0.00 C ATOM 91 CG PRO A 6 1.131 -7.139 1.762 1.00 0.00 C ATOM 92 CD PRO A 6 1.070 -7.572 0.290 1.00 0.00 C ATOM 0 HA PRO A 6 -0.855 -4.928 0.302 1.00 0.00 H new ATOM 0 HB2 PRO A 6 1.284 -5.008 2.266 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -0.324 -5.667 2.493 1.00 0.00 H new ATOM 0 HG2 PRO A 6 2.158 -7.162 2.127 1.00 0.00 H new ATOM 0 HG3 PRO A 6 0.555 -7.821 2.388 1.00 0.00 H new ATOM 0 HD2 PRO A 6 2.069 -7.744 -0.112 1.00 0.00 H new ATOM 0 HD3 PRO A 6 0.516 -8.504 0.176 1.00 0.00 H new ATOM 100 N ILE A 7 0.472 -2.923 -0.048 1.00 0.00 N ATOM 101 CA ILE A 7 1.248 -1.716 -0.448 1.00 0.00 C ATOM 102 C ILE A 7 0.907 -0.540 0.464 1.00 0.00 C ATOM 103 O ILE A 7 -0.049 -0.597 1.213 1.00 0.00 O ATOM 104 CB ILE A 7 0.877 -1.347 -1.890 1.00 0.00 C ATOM 105 CG1 ILE A 7 0.913 -2.589 -2.776 1.00 0.00 C ATOM 106 CG2 ILE A 7 1.914 -0.339 -2.417 1.00 0.00 C ATOM 107 CD1 ILE A 7 2.370 -2.955 -3.081 1.00 0.00 C ATOM 0 H ILE A 7 -0.506 -2.754 0.187 1.00 0.00 H new ATOM 0 HA ILE A 7 2.313 -1.933 -0.368 1.00 0.00 H new ATOM 0 HB ILE A 7 -0.126 -0.920 -1.908 1.00 0.00 H new ATOM 0 HG12 ILE A 7 0.415 -3.420 -2.277 1.00 0.00 H new ATOM 0 HG13 ILE A 7 0.371 -2.403 -3.703 1.00 0.00 H new ATOM 0 HG21 ILE A 7 1.666 -0.065 -3.442 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.905 0.553 -1.791 1.00 0.00 H new ATOM 0 HG23 ILE A 7 2.906 -0.791 -2.392 1.00 0.00 H new ATOM 0 HD11 ILE A 7 2.397 -3.842 -3.714 1.00 0.00 H new ATOM 0 HD12 ILE A 7 2.853 -2.126 -3.598 1.00 0.00 H new ATOM 0 HD13 ILE A 7 2.897 -3.158 -2.149 1.00 0.00 H new ATOM 119 N SER A 8 1.699 0.502 0.383 1.00 0.00 N ATOM 120 CA SER A 8 1.444 1.700 1.239 1.00 0.00 C ATOM 121 C SER A 8 1.516 2.977 0.417 1.00 0.00 C ATOM 122 O SER A 8 2.329 3.091 -0.480 1.00 0.00 O ATOM 123 CB SER A 8 2.526 1.751 2.328 1.00 0.00 C ATOM 124 OG SER A 8 3.737 1.525 1.623 1.00 0.00 O ATOM 0 H SER A 8 2.507 0.574 -0.236 1.00 0.00 H new ATOM 0 HA SER A 8 0.448 1.623 1.676 1.00 0.00 H new ATOM 0 HB2 SER A 8 2.535 2.715 2.837 1.00 0.00 H new ATOM 0 HB3 SER A 8 2.360 0.990 3.090 1.00 0.00 H new ATOM 0 HG SER A 8 4.489 1.543 2.251 1.00 0.00 H new ATOM 130 N CYS A 9 0.661 3.921 0.743 1.00 0.00 N ATOM 131 CA CYS A 9 0.659 5.207 -0.009 1.00 0.00 C ATOM 132 C CYS A 9 0.517 6.418 0.949 1.00 0.00 C ATOM 133 O CYS A 9 -0.439 6.503 1.692 1.00 0.00 O ATOM 134 CB CYS A 9 -0.552 5.189 -0.950 1.00 0.00 C ATOM 135 SG CYS A 9 -0.291 4.557 -2.625 1.00 0.00 S ATOM 0 H CYS A 9 -0.028 3.852 1.492 1.00 0.00 H new ATOM 0 HA CYS A 9 1.598 5.307 -0.553 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -1.334 4.591 -0.482 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -0.933 6.207 -1.029 1.00 0.00 H new ATOM 0 HG CYS A 9 0.726 3.747 -2.630 1.00 0.00 H new ATOM 141 N PRO A 10 1.486 7.345 0.910 1.00 0.00 N ATOM 142 CA PRO A 10 1.445 8.528 1.775 1.00 0.00 C ATOM 143 C PRO A 10 0.222 9.405 1.497 1.00 0.00 C ATOM 144 O PRO A 10 -0.292 9.441 0.388 1.00 0.00 O ATOM 145 CB PRO A 10 2.726 9.319 1.432 1.00 0.00 C ATOM 146 CG PRO A 10 3.500 8.510 0.349 1.00 0.00 C ATOM 147 CD PRO A 10 2.665 7.258 0.029 1.00 0.00 C ATOM 0 HA PRO A 10 1.383 8.234 2.823 1.00 0.00 H new ATOM 0 HB2 PRO A 10 2.475 10.313 1.062 1.00 0.00 H new ATOM 0 HB3 PRO A 10 3.342 9.456 2.321 1.00 0.00 H new ATOM 0 HG2 PRO A 10 3.648 9.112 -0.547 1.00 0.00 H new ATOM 0 HG3 PRO A 10 4.489 8.230 0.712 1.00 0.00 H new ATOM 0 HD2 PRO A 10 2.372 7.238 -1.021 1.00 0.00 H new ATOM 0 HD3 PRO A 10 3.232 6.347 0.219 1.00 0.00 H new ATOM 155 N GLU A 11 -0.217 10.101 2.521 1.00 0.00 N ATOM 156 CA GLU A 11 -1.398 10.989 2.369 1.00 0.00 C ATOM 157 C GLU A 11 -0.987 12.449 2.486 1.00 0.00 C ATOM 158 O GLU A 11 0.006 12.771 3.107 1.00 0.00 O ATOM 159 CB GLU A 11 -2.394 10.665 3.496 1.00 0.00 C ATOM 160 CG GLU A 11 -1.716 10.896 4.849 1.00 0.00 C ATOM 161 CD GLU A 11 -2.717 10.609 5.971 1.00 0.00 C ATOM 162 OE1 GLU A 11 -3.585 11.448 6.149 1.00 0.00 O ATOM 163 OE2 GLU A 11 -2.555 9.569 6.588 1.00 0.00 O ATOM 0 H GLU A 11 0.197 10.087 3.453 1.00 0.00 H new ATOM 0 HA GLU A 11 -1.847 10.826 1.389 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -3.279 11.295 3.407 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -2.729 9.631 3.415 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -0.845 10.248 4.948 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -1.358 11.923 4.919 1.00 0.00 H new ATOM 170 N ASN A 12 -1.757 13.306 1.880 1.00 0.00 N ATOM 171 CA ASN A 12 -1.436 14.752 1.938 1.00 0.00 C ATOM 172 C ASN A 12 -0.051 15.037 1.363 1.00 0.00 C ATOM 173 O ASN A 12 0.814 15.540 2.052 1.00 0.00 O ATOM 174 CB ASN A 12 -1.459 15.200 3.410 1.00 0.00 C ATOM 175 CG ASN A 12 -2.620 14.515 4.132 1.00 0.00 C ATOM 176 OD1 ASN A 12 -3.569 14.070 3.519 1.00 0.00 O ATOM 177 ND2 ASN A 12 -2.582 14.410 5.432 1.00 0.00 N ATOM 0 H ASN A 12 -2.593 13.066 1.348 1.00 0.00 H new ATOM 0 HA ASN A 12 -2.174 15.295 1.348 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -0.516 14.946 3.893 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -1.567 16.283 3.470 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -3.348 13.955 5.930 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -1.787 14.782 5.951 1.00 0.00 H new ATOM 184 N GLU A 13 0.128 14.705 0.104 1.00 0.00 N ATOM 185 CA GLU A 13 1.447 14.944 -0.551 1.00 0.00 C ATOM 186 C GLU A 13 1.292 15.896 -1.735 1.00 0.00 C ATOM 187 O GLU A 13 0.925 15.490 -2.818 1.00 0.00 O ATOM 188 CB GLU A 13 1.995 13.590 -1.058 1.00 0.00 C ATOM 189 CG GLU A 13 3.520 13.598 -0.950 1.00 0.00 C ATOM 190 CD GLU A 13 4.069 14.840 -1.654 1.00 0.00 C ATOM 191 OE1 GLU A 13 4.236 14.749 -2.860 1.00 0.00 O ATOM 192 OE2 GLU A 13 4.289 15.810 -0.948 1.00 0.00 O ATOM 0 H GLU A 13 -0.582 14.281 -0.493 1.00 0.00 H new ATOM 0 HA GLU A 13 2.132 15.391 0.169 1.00 0.00 H new ATOM 0 HB2 GLU A 13 1.580 12.772 -0.469 1.00 0.00 H new ATOM 0 HB3 GLU A 13 1.692 13.424 -2.092 1.00 0.00 H new ATOM 0 HG2 GLU A 13 3.822 13.596 0.097 1.00 0.00 H new ATOM 0 HG3 GLU A 13 3.933 12.697 -1.403 1.00 0.00 H new ATOM 199 N LYS A 14 1.567 17.156 -1.499 1.00 0.00 N ATOM 200 CA LYS A 14 1.443 18.156 -2.595 1.00 0.00 C ATOM 201 C LYS A 14 2.811 18.526 -3.153 1.00 0.00 C ATOM 202 O LYS A 14 3.733 18.810 -2.413 1.00 0.00 O ATOM 203 CB LYS A 14 0.784 19.423 -2.025 1.00 0.00 C ATOM 204 CG LYS A 14 1.339 19.707 -0.627 1.00 0.00 C ATOM 205 CD LYS A 14 1.188 21.200 -0.328 1.00 0.00 C ATOM 206 CE LYS A 14 1.837 21.517 1.021 1.00 0.00 C ATOM 207 NZ LYS A 14 1.627 22.949 1.373 1.00 0.00 N ATOM 0 H LYS A 14 1.870 17.530 -0.599 1.00 0.00 H new ATOM 0 HA LYS A 14 0.843 17.727 -3.398 1.00 0.00 H new ATOM 0 HB2 LYS A 14 0.975 20.271 -2.682 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -0.297 19.293 -1.978 1.00 0.00 H new ATOM 0 HG2 LYS A 14 0.804 19.117 0.118 1.00 0.00 H new ATOM 0 HG3 LYS A 14 2.388 19.416 -0.571 1.00 0.00 H new ATOM 0 HD2 LYS A 14 1.656 21.789 -1.117 1.00 0.00 H new ATOM 0 HD3 LYS A 14 0.133 21.473 -0.310 1.00 0.00 H new ATOM 0 HE2 LYS A 14 1.411 20.879 1.796 1.00 0.00 H new ATOM 0 HE3 LYS A 14 2.904 21.299 0.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 2.073 23.150 2.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 2.054 23.553 0.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 0.608 23.146 1.433 1.00 0.00 H new ATOM 221 N GLY A 15 2.920 18.513 -4.453 1.00 0.00 N ATOM 222 CA GLY A 15 4.225 18.862 -5.080 1.00 0.00 C ATOM 223 C GLY A 15 4.217 18.517 -6.571 1.00 0.00 C ATOM 224 O GLY A 15 3.386 18.993 -7.317 1.00 0.00 O ATOM 0 H GLY A 15 2.170 18.278 -5.103 1.00 0.00 H new ATOM 0 HA2 GLY A 15 4.425 19.925 -4.949 1.00 0.00 H new ATOM 0 HA3 GLY A 15 5.030 18.323 -4.581 1.00 0.00 H new ATOM 228 N GLU A 16 5.145 17.688 -6.969 1.00 0.00 N ATOM 229 CA GLU A 16 5.214 17.297 -8.398 1.00 0.00 C ATOM 230 C GLU A 16 4.462 15.993 -8.650 1.00 0.00 C ATOM 231 O GLU A 16 4.370 15.148 -7.782 1.00 0.00 O ATOM 232 CB GLU A 16 6.692 17.098 -8.769 1.00 0.00 C ATOM 233 CG GLU A 16 6.832 17.088 -10.292 1.00 0.00 C ATOM 234 CD GLU A 16 6.599 18.501 -10.832 1.00 0.00 C ATOM 235 OE1 GLU A 16 6.855 19.420 -10.072 1.00 0.00 O ATOM 236 OE2 GLU A 16 6.176 18.581 -11.973 1.00 0.00 O ATOM 0 H GLU A 16 5.853 17.269 -6.366 1.00 0.00 H new ATOM 0 HA GLU A 16 4.755 18.079 -9.003 1.00 0.00 H new ATOM 0 HB2 GLU A 16 7.297 17.897 -8.342 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.061 16.161 -8.352 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.825 16.738 -10.575 1.00 0.00 H new ATOM 0 HG3 GLU A 16 6.113 16.396 -10.730 1.00 0.00 H new ATOM 243 N PHE A 17 3.937 15.859 -9.843 1.00 0.00 N ATOM 244 CA PHE A 17 3.185 14.622 -10.190 1.00 0.00 C ATOM 245 C PHE A 17 3.504 14.195 -11.630 1.00 0.00 C ATOM 246 O PHE A 17 3.883 15.011 -12.447 1.00 0.00 O ATOM 247 CB PHE A 17 1.679 14.936 -10.079 1.00 0.00 C ATOM 248 CG PHE A 17 1.251 14.866 -8.606 1.00 0.00 C ATOM 249 CD1 PHE A 17 1.462 13.714 -7.862 1.00 0.00 C ATOM 250 CD2 PHE A 17 0.655 15.957 -7.997 1.00 0.00 C ATOM 251 CE1 PHE A 17 1.083 13.659 -6.537 1.00 0.00 C ATOM 252 CE2 PHE A 17 0.278 15.896 -6.670 1.00 0.00 C ATOM 253 CZ PHE A 17 0.493 14.747 -5.943 1.00 0.00 C ATOM 0 H PHE A 17 3.998 16.553 -10.588 1.00 0.00 H new ATOM 0 HA PHE A 17 3.466 13.814 -9.514 1.00 0.00 H new ATOM 0 HB2 PHE A 17 1.472 15.927 -10.483 1.00 0.00 H new ATOM 0 HB3 PHE A 17 1.103 14.224 -10.671 1.00 0.00 H new ATOM 0 HD1 PHE A 17 1.926 12.855 -8.323 1.00 0.00 H new ATOM 0 HD2 PHE A 17 0.484 16.861 -8.563 1.00 0.00 H new ATOM 0 HE1 PHE A 17 1.251 12.758 -5.966 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -0.186 16.751 -6.202 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.197 14.701 -4.905 1.00 0.00 H new ATOM 263 N PRO A 18 3.340 12.911 -11.918 1.00 0.00 N ATOM 264 CA PRO A 18 2.895 11.907 -10.940 1.00 0.00 C ATOM 265 C PRO A 18 3.994 11.559 -9.935 1.00 0.00 C ATOM 266 O PRO A 18 5.159 11.809 -10.174 1.00 0.00 O ATOM 267 CB PRO A 18 2.583 10.653 -11.789 1.00 0.00 C ATOM 268 CG PRO A 18 3.064 10.947 -13.243 1.00 0.00 C ATOM 269 CD PRO A 18 3.560 12.403 -13.274 1.00 0.00 C ATOM 0 HA PRO A 18 2.047 12.275 -10.363 1.00 0.00 H new ATOM 0 HB2 PRO A 18 3.093 9.779 -11.385 1.00 0.00 H new ATOM 0 HB3 PRO A 18 1.515 10.435 -11.774 1.00 0.00 H new ATOM 0 HG2 PRO A 18 3.863 10.263 -13.530 1.00 0.00 H new ATOM 0 HG3 PRO A 18 2.250 10.803 -13.954 1.00 0.00 H new ATOM 0 HD2 PRO A 18 4.614 12.455 -13.548 1.00 0.00 H new ATOM 0 HD3 PRO A 18 3.010 12.991 -14.009 1.00 0.00 H new ATOM 277 N LYS A 19 3.589 10.983 -8.828 1.00 0.00 N ATOM 278 CA LYS A 19 4.575 10.603 -7.781 1.00 0.00 C ATOM 279 C LYS A 19 4.758 9.087 -7.734 1.00 0.00 C ATOM 280 O LYS A 19 3.854 8.362 -7.374 1.00 0.00 O ATOM 281 CB LYS A 19 4.032 11.076 -6.426 1.00 0.00 C ATOM 282 CG LYS A 19 4.965 10.598 -5.311 1.00 0.00 C ATOM 283 CD LYS A 19 4.582 11.295 -4.005 1.00 0.00 C ATOM 284 CE LYS A 19 3.156 10.890 -3.622 1.00 0.00 C ATOM 285 NZ LYS A 19 3.073 10.577 -2.168 1.00 0.00 N ATOM 0 H LYS A 19 2.618 10.762 -8.609 1.00 0.00 H new ATOM 0 HA LYS A 19 5.537 11.063 -8.006 1.00 0.00 H new ATOM 0 HB2 LYS A 19 3.957 12.163 -6.411 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.027 10.685 -6.268 1.00 0.00 H new ATOM 0 HG2 LYS A 19 4.890 9.517 -5.196 1.00 0.00 H new ATOM 0 HG3 LYS A 19 6.001 10.821 -5.566 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.277 11.018 -3.213 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.647 12.377 -4.123 1.00 0.00 H new ATOM 0 HE2 LYS A 19 2.465 11.697 -3.866 1.00 0.00 H new ATOM 0 HE3 LYS A 19 2.850 10.021 -4.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 2.845 9.570 -2.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 3.986 10.785 -1.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 2.330 11.157 -1.730 1.00 0.00 H new ATOM 299 N ASN A 20 5.929 8.640 -8.099 1.00 0.00 N ATOM 300 CA ASN A 20 6.191 7.178 -8.083 1.00 0.00 C ATOM 301 C ASN A 20 6.158 6.629 -6.658 1.00 0.00 C ATOM 302 O ASN A 20 6.528 7.313 -5.724 1.00 0.00 O ATOM 303 CB ASN A 20 7.586 6.934 -8.676 1.00 0.00 C ATOM 304 CG ASN A 20 7.813 7.898 -9.844 1.00 0.00 C ATOM 305 OD1 ASN A 20 6.892 8.518 -10.339 1.00 0.00 O ATOM 306 ND2 ASN A 20 9.020 8.053 -10.312 1.00 0.00 N ATOM 0 H ASN A 20 6.709 9.222 -8.405 1.00 0.00 H new ATOM 0 HA ASN A 20 5.420 6.672 -8.664 1.00 0.00 H new ATOM 0 HB2 ASN A 20 8.350 7.083 -7.913 1.00 0.00 H new ATOM 0 HB3 ASN A 20 7.674 5.903 -9.018 1.00 0.00 H new ATOM 0 HD21 ASN A 20 9.187 8.692 -11.089 1.00 0.00 H new ATOM 0 HD22 ASN A 20 9.797 7.535 -9.901 1.00 0.00 H new ATOM 313 N LEU A 21 5.712 5.397 -6.525 1.00 0.00 N ATOM 314 CA LEU A 21 5.640 4.769 -5.171 1.00 0.00 C ATOM 315 C LEU A 21 6.466 3.489 -5.116 1.00 0.00 C ATOM 316 O LEU A 21 7.468 3.423 -4.432 1.00 0.00 O ATOM 317 CB LEU A 21 4.175 4.409 -4.879 1.00 0.00 C ATOM 318 CG LEU A 21 3.308 5.659 -5.014 1.00 0.00 C ATOM 319 CD1 LEU A 21 1.842 5.237 -5.149 1.00 0.00 C ATOM 320 CD2 LEU A 21 3.470 6.524 -3.762 1.00 0.00 C ATOM 0 H LEU A 21 5.397 4.806 -7.295 1.00 0.00 H new ATOM 0 HA LEU A 21 6.032 5.474 -4.438 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.833 3.640 -5.571 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.084 3.997 -3.874 1.00 0.00 H new ATOM 0 HG LEU A 21 3.613 6.227 -5.893 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.216 6.124 -5.246 1.00 0.00 H new ATOM 0 HD12 LEU A 21 1.724 4.611 -6.033 1.00 0.00 H new ATOM 0 HD13 LEU A 21 1.542 4.676 -4.264 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.853 7.417 -3.855 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.158 5.957 -2.885 1.00 0.00 H new ATOM 0 HD23 LEU A 21 4.515 6.815 -3.653 1.00 0.00 H new ATOM 332 N VAL A 22 6.030 2.492 -5.841 1.00 0.00 N ATOM 333 CA VAL A 22 6.779 1.208 -5.841 1.00 0.00 C ATOM 334 C VAL A 22 6.438 0.377 -7.076 1.00 0.00 C ATOM 335 O VAL A 22 5.420 0.587 -7.706 1.00 0.00 O ATOM 336 CB VAL A 22 6.376 0.419 -4.586 1.00 0.00 C ATOM 337 CG1 VAL A 22 4.953 -0.113 -4.761 1.00 0.00 C ATOM 338 CG2 VAL A 22 7.336 -0.758 -4.401 1.00 0.00 C ATOM 0 H VAL A 22 5.195 2.513 -6.427 1.00 0.00 H new ATOM 0 HA VAL A 22 7.849 1.418 -5.850 1.00 0.00 H new ATOM 0 HB VAL A 22 6.420 1.069 -3.712 1.00 0.00 H new ATOM 0 HG11 VAL A 22 4.662 -0.674 -3.873 1.00 0.00 H new ATOM 0 HG12 VAL A 22 4.267 0.722 -4.903 1.00 0.00 H new ATOM 0 HG13 VAL A 22 4.914 -0.767 -5.632 1.00 0.00 H new ATOM 0 HG21 VAL A 22 7.054 -1.321 -3.511 1.00 0.00 H new ATOM 0 HG22 VAL A 22 7.286 -1.409 -5.274 1.00 0.00 H new ATOM 0 HG23 VAL A 22 8.353 -0.383 -4.286 1.00 0.00 H new ATOM 348 N GLN A 23 7.298 -0.555 -7.400 1.00 0.00 N ATOM 349 CA GLN A 23 7.038 -1.407 -8.589 1.00 0.00 C ATOM 350 C GLN A 23 6.066 -2.529 -8.255 1.00 0.00 C ATOM 351 O GLN A 23 5.916 -2.907 -7.110 1.00 0.00 O ATOM 352 CB GLN A 23 8.370 -2.024 -9.046 1.00 0.00 C ATOM 353 CG GLN A 23 9.117 -1.011 -9.915 1.00 0.00 C ATOM 354 CD GLN A 23 10.323 -1.694 -10.565 1.00 0.00 C ATOM 355 OE1 GLN A 23 11.363 -1.849 -9.958 1.00 0.00 O ATOM 356 NE2 GLN A 23 10.225 -2.115 -11.797 1.00 0.00 N ATOM 0 H GLN A 23 8.160 -0.758 -6.895 1.00 0.00 H new ATOM 0 HA GLN A 23 6.600 -0.792 -9.375 1.00 0.00 H new ATOM 0 HB2 GLN A 23 8.975 -2.296 -8.181 1.00 0.00 H new ATOM 0 HB3 GLN A 23 8.187 -2.940 -9.608 1.00 0.00 H new ATOM 0 HG2 GLN A 23 8.453 -0.613 -10.682 1.00 0.00 H new ATOM 0 HG3 GLN A 23 9.446 -0.167 -9.309 1.00 0.00 H new ATOM 0 HE21 GLN A 23 9.354 -1.987 -12.312 1.00 0.00 H new ATOM 0 HE22 GLN A 23 11.020 -2.571 -12.245 1.00 0.00 H new ATOM 365 N ILE A 24 5.423 -3.046 -9.267 1.00 0.00 N ATOM 366 CA ILE A 24 4.455 -4.145 -9.031 1.00 0.00 C ATOM 367 C ILE A 24 5.136 -5.503 -9.115 1.00 0.00 C ATOM 368 O ILE A 24 6.114 -5.665 -9.819 1.00 0.00 O ATOM 369 CB ILE A 24 3.385 -4.083 -10.110 1.00 0.00 C ATOM 370 CG1 ILE A 24 2.497 -2.856 -9.911 1.00 0.00 C ATOM 371 CG2 ILE A 24 2.524 -5.345 -10.000 1.00 0.00 C ATOM 372 CD1 ILE A 24 1.946 -2.839 -8.483 1.00 0.00 C ATOM 0 H ILE A 24 5.528 -2.755 -10.239 1.00 0.00 H new ATOM 0 HA ILE A 24 4.028 -4.025 -8.035 1.00 0.00 H new ATOM 0 HB ILE A 24 3.858 -4.017 -11.090 1.00 0.00 H new ATOM 0 HG12 ILE A 24 3.069 -1.948 -10.100 1.00 0.00 H new ATOM 0 HG13 ILE A 24 1.675 -2.871 -10.627 1.00 0.00 H new ATOM 0 HG21 ILE A 24 1.748 -5.324 -10.765 1.00 0.00 H new ATOM 0 HG22 ILE A 24 3.150 -6.226 -10.142 1.00 0.00 H new ATOM 0 HG23 ILE A 24 2.061 -5.385 -9.014 1.00 0.00 H new ATOM 0 HD11 ILE A 24 1.314 -1.962 -8.347 1.00 0.00 H new ATOM 0 HD12 ILE A 24 1.358 -3.740 -8.309 1.00 0.00 H new ATOM 0 HD13 ILE A 24 2.773 -2.803 -7.774 1.00 0.00 H new ATOM 384 N LYS A 25 4.604 -6.461 -8.391 1.00 0.00 N ATOM 385 CA LYS A 25 5.207 -7.819 -8.416 1.00 0.00 C ATOM 386 C LYS A 25 4.137 -8.914 -8.396 1.00 0.00 C ATOM 387 O LYS A 25 3.435 -9.077 -7.418 1.00 0.00 O ATOM 388 CB LYS A 25 6.086 -7.974 -7.167 1.00 0.00 C ATOM 389 CG LYS A 25 6.892 -6.690 -6.960 1.00 0.00 C ATOM 390 CD LYS A 25 7.828 -6.873 -5.761 1.00 0.00 C ATOM 391 CE LYS A 25 8.383 -5.508 -5.348 1.00 0.00 C ATOM 392 NZ LYS A 25 9.768 -5.647 -4.815 1.00 0.00 N ATOM 0 H LYS A 25 3.786 -6.356 -7.791 1.00 0.00 H new ATOM 0 HA LYS A 25 5.786 -7.925 -9.334 1.00 0.00 H new ATOM 0 HB2 LYS A 25 5.466 -8.174 -6.293 1.00 0.00 H new ATOM 0 HB3 LYS A 25 6.757 -8.825 -7.283 1.00 0.00 H new ATOM 0 HG2 LYS A 25 7.469 -6.460 -7.856 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.221 -5.848 -6.788 1.00 0.00 H new ATOM 0 HD2 LYS A 25 7.290 -7.328 -4.929 1.00 0.00 H new ATOM 0 HD3 LYS A 25 8.644 -7.548 -6.020 1.00 0.00 H new ATOM 0 HE2 LYS A 25 8.383 -4.834 -6.205 1.00 0.00 H new ATOM 0 HE3 LYS A 25 7.739 -5.061 -4.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 10.129 -4.712 -4.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 9.759 -6.273 -3.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 10.383 -6.053 -5.549 1.00 0.00 H new ATOM 406 N SER A 26 4.035 -9.648 -9.484 1.00 0.00 N ATOM 407 CA SER A 26 3.019 -10.740 -9.546 1.00 0.00 C ATOM 408 C SER A 26 3.669 -12.083 -9.262 1.00 0.00 C ATOM 409 O SER A 26 4.571 -12.165 -8.464 1.00 0.00 O ATOM 410 CB SER A 26 2.414 -10.765 -10.951 1.00 0.00 C ATOM 411 OG SER A 26 1.355 -11.705 -10.859 1.00 0.00 O ATOM 0 H SER A 26 4.607 -9.536 -10.321 1.00 0.00 H new ATOM 0 HA SER A 26 2.247 -10.557 -8.799 1.00 0.00 H new ATOM 0 HB2 SER A 26 2.048 -9.781 -11.244 1.00 0.00 H new ATOM 0 HB3 SER A 26 3.150 -11.067 -11.696 1.00 0.00 H new ATOM 0 HG SER A 26 0.521 -11.290 -11.164 1.00 0.00 H new ATOM 417 N ASN A 27 3.199 -13.114 -9.923 1.00 0.00 N ATOM 418 CA ASN A 27 3.784 -14.467 -9.699 1.00 0.00 C ATOM 419 C ASN A 27 4.264 -15.078 -11.005 1.00 0.00 C ATOM 420 O ASN A 27 5.362 -15.585 -11.085 1.00 0.00 O ATOM 421 CB ASN A 27 2.695 -15.372 -9.102 1.00 0.00 C ATOM 422 CG ASN A 27 1.827 -14.553 -8.145 1.00 0.00 C ATOM 423 OD1 ASN A 27 0.785 -14.047 -8.513 1.00 0.00 O ATOM 424 ND2 ASN A 27 2.218 -14.397 -6.909 1.00 0.00 N ATOM 0 H ASN A 27 2.440 -13.075 -10.603 1.00 0.00 H new ATOM 0 HA ASN A 27 4.636 -14.376 -9.025 1.00 0.00 H new ATOM 0 HB2 ASN A 27 2.081 -15.795 -9.897 1.00 0.00 H new ATOM 0 HB3 ASN A 27 3.151 -16.209 -8.572 1.00 0.00 H new ATOM 0 HD21 ASN A 27 1.650 -13.853 -6.259 1.00 0.00 H new ATOM 0 HD22 ASN A 27 3.091 -14.819 -6.593 1.00 0.00 H new ATOM 431 N ARG A 28 3.443 -15.011 -12.011 1.00 0.00 N ATOM 432 CA ARG A 28 3.860 -15.595 -13.312 1.00 0.00 C ATOM 433 C ARG A 28 5.168 -14.975 -13.787 1.00 0.00 C ATOM 434 O ARG A 28 5.774 -15.441 -14.732 1.00 0.00 O ATOM 435 CB ARG A 28 2.764 -15.320 -14.359 1.00 0.00 C ATOM 436 CG ARG A 28 1.456 -15.993 -13.901 1.00 0.00 C ATOM 437 CD ARG A 28 0.541 -16.242 -15.112 1.00 0.00 C ATOM 438 NE ARG A 28 -0.150 -17.551 -14.934 1.00 0.00 N ATOM 439 CZ ARG A 28 -1.042 -17.684 -13.990 1.00 0.00 C ATOM 440 NH1 ARG A 28 -0.673 -17.541 -12.747 1.00 0.00 N ATOM 441 NH2 ARG A 28 -2.276 -17.955 -14.322 1.00 0.00 N ATOM 0 H ARG A 28 2.516 -14.585 -11.992 1.00 0.00 H new ATOM 0 HA ARG A 28 4.006 -16.668 -13.185 1.00 0.00 H new ATOM 0 HB2 ARG A 28 2.615 -14.247 -14.475 1.00 0.00 H new ATOM 0 HB3 ARG A 28 3.067 -15.707 -15.332 1.00 0.00 H new ATOM 0 HG2 ARG A 28 1.678 -16.936 -13.402 1.00 0.00 H new ATOM 0 HG3 ARG A 28 0.947 -15.360 -13.174 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -0.190 -15.439 -15.203 1.00 0.00 H new ATOM 0 HD3 ARG A 28 1.126 -16.246 -16.032 1.00 0.00 H new ATOM 0 HE ARG A 28 0.072 -18.337 -15.545 1.00 0.00 H new ATOM 0 HH11 ARG A 28 0.300 -17.329 -12.525 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -1.357 -17.642 -11.997 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -2.529 -18.059 -15.305 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -2.987 -18.063 -13.599 1.00 0.00 H new ATOM 455 N ASP A 29 5.592 -13.944 -13.112 1.00 0.00 N ATOM 456 CA ASP A 29 6.859 -13.283 -13.512 1.00 0.00 C ATOM 457 C ASP A 29 8.042 -14.220 -13.319 1.00 0.00 C ATOM 458 O ASP A 29 9.181 -13.798 -13.338 1.00 0.00 O ATOM 459 CB ASP A 29 7.063 -12.045 -12.626 1.00 0.00 C ATOM 460 CG ASP A 29 7.423 -12.493 -11.210 1.00 0.00 C ATOM 461 OD1 ASP A 29 6.487 -12.710 -10.456 1.00 0.00 O ATOM 462 OD2 ASP A 29 8.612 -12.594 -10.958 1.00 0.00 O ATOM 0 H ASP A 29 5.118 -13.535 -12.307 1.00 0.00 H new ATOM 0 HA ASP A 29 6.798 -13.007 -14.565 1.00 0.00 H new ATOM 0 HB2 ASP A 29 7.856 -11.418 -13.034 1.00 0.00 H new ATOM 0 HB3 ASP A 29 6.155 -11.442 -12.609 1.00 0.00 H new ATOM 467 N LYS A 30 7.747 -15.480 -13.136 1.00 0.00 N ATOM 468 CA LYS A 30 8.835 -16.466 -12.937 1.00 0.00 C ATOM 469 C LYS A 30 9.156 -17.196 -14.235 1.00 0.00 C ATOM 470 O LYS A 30 10.178 -17.846 -14.341 1.00 0.00 O ATOM 471 CB LYS A 30 8.360 -17.503 -11.909 1.00 0.00 C ATOM 472 CG LYS A 30 8.252 -16.841 -10.535 1.00 0.00 C ATOM 473 CD LYS A 30 7.362 -17.704 -9.636 1.00 0.00 C ATOM 474 CE LYS A 30 7.607 -17.333 -8.171 1.00 0.00 C ATOM 475 NZ LYS A 30 8.171 -18.494 -7.428 1.00 0.00 N ATOM 0 H LYS A 30 6.802 -15.863 -13.117 1.00 0.00 H new ATOM 0 HA LYS A 30 9.728 -15.942 -12.597 1.00 0.00 H new ATOM 0 HB2 LYS A 30 7.393 -17.910 -12.206 1.00 0.00 H new ATOM 0 HB3 LYS A 30 9.059 -18.338 -11.869 1.00 0.00 H new ATOM 0 HG2 LYS A 30 9.241 -16.731 -10.091 1.00 0.00 H new ATOM 0 HG3 LYS A 30 7.832 -15.840 -10.631 1.00 0.00 H new ATOM 0 HD2 LYS A 30 6.313 -17.552 -9.891 1.00 0.00 H new ATOM 0 HD3 LYS A 30 7.579 -18.760 -9.796 1.00 0.00 H new ATOM 0 HE2 LYS A 30 8.293 -16.488 -8.113 1.00 0.00 H new ATOM 0 HE3 LYS A 30 6.672 -17.017 -7.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 8.332 -18.226 -6.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 7.503 -19.290 -7.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 9.073 -18.778 -7.860 1.00 0.00 H new ATOM 489 N GLU A 31 8.279 -17.073 -15.204 1.00 0.00 N ATOM 490 CA GLU A 31 8.521 -17.760 -16.506 1.00 0.00 C ATOM 491 C GLU A 31 9.006 -16.793 -17.576 1.00 0.00 C ATOM 492 O GLU A 31 9.840 -17.137 -18.389 1.00 0.00 O ATOM 493 CB GLU A 31 7.195 -18.372 -16.982 1.00 0.00 C ATOM 494 CG GLU A 31 6.073 -17.357 -16.771 1.00 0.00 C ATOM 495 CD GLU A 31 5.062 -17.471 -17.911 1.00 0.00 C ATOM 496 OE1 GLU A 31 5.280 -16.786 -18.898 1.00 0.00 O ATOM 497 OE2 GLU A 31 4.128 -18.234 -17.733 1.00 0.00 O ATOM 0 H GLU A 31 7.416 -16.532 -15.148 1.00 0.00 H new ATOM 0 HA GLU A 31 9.289 -18.518 -16.353 1.00 0.00 H new ATOM 0 HB2 GLU A 31 7.263 -18.644 -18.035 1.00 0.00 H new ATOM 0 HB3 GLU A 31 6.983 -19.287 -16.429 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.581 -17.536 -15.815 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.483 -16.348 -16.734 1.00 0.00 H new ATOM 504 N THR A 32 8.480 -15.601 -17.565 1.00 0.00 N ATOM 505 CA THR A 32 8.912 -14.620 -18.587 1.00 0.00 C ATOM 506 C THR A 32 8.588 -13.192 -18.163 1.00 0.00 C ATOM 507 O THR A 32 7.662 -12.965 -17.411 1.00 0.00 O ATOM 508 CB THR A 32 8.138 -14.932 -19.868 1.00 0.00 C ATOM 509 OG1 THR A 32 8.788 -14.206 -20.891 1.00 0.00 O ATOM 510 CG2 THR A 32 6.726 -14.333 -19.802 1.00 0.00 C ATOM 0 H THR A 32 7.780 -15.270 -16.901 1.00 0.00 H new ATOM 0 HA THR A 32 9.990 -14.695 -18.726 1.00 0.00 H new ATOM 0 HB THR A 32 8.093 -16.010 -20.021 1.00 0.00 H new ATOM 0 HG1 THR A 32 8.335 -14.368 -21.745 1.00 0.00 H new ATOM 0 HG21 THR A 32 6.189 -14.565 -20.722 1.00 0.00 H new ATOM 0 HG22 THR A 32 6.190 -14.757 -18.953 1.00 0.00 H new ATOM 0 HG23 THR A 32 6.795 -13.252 -19.685 1.00 0.00 H new ATOM 518 N LYS A 33 9.361 -12.249 -18.655 1.00 0.00 N ATOM 519 CA LYS A 33 9.095 -10.835 -18.284 1.00 0.00 C ATOM 520 C LYS A 33 7.611 -10.565 -18.421 1.00 0.00 C ATOM 521 O LYS A 33 6.967 -11.145 -19.270 1.00 0.00 O ATOM 522 CB LYS A 33 9.865 -9.922 -19.250 1.00 0.00 C ATOM 523 CG LYS A 33 9.908 -8.505 -18.677 1.00 0.00 C ATOM 524 CD LYS A 33 10.977 -7.699 -19.418 1.00 0.00 C ATOM 525 CE LYS A 33 11.325 -6.454 -18.600 1.00 0.00 C ATOM 526 NZ LYS A 33 10.093 -5.844 -18.029 1.00 0.00 N ATOM 0 H LYS A 33 10.149 -12.400 -19.285 1.00 0.00 H new ATOM 0 HA LYS A 33 9.412 -10.646 -17.258 1.00 0.00 H new ATOM 0 HB2 LYS A 33 10.877 -10.299 -19.396 1.00 0.00 H new ATOM 0 HB3 LYS A 33 9.382 -9.917 -20.227 1.00 0.00 H new ATOM 0 HG2 LYS A 33 8.935 -8.026 -18.784 1.00 0.00 H new ATOM 0 HG3 LYS A 33 10.132 -8.537 -17.611 1.00 0.00 H new ATOM 0 HD2 LYS A 33 11.868 -8.308 -19.572 1.00 0.00 H new ATOM 0 HD3 LYS A 33 10.614 -7.411 -20.404 1.00 0.00 H new ATOM 0 HE2 LYS A 33 12.012 -6.720 -17.797 1.00 0.00 H new ATOM 0 HE3 LYS A 33 11.838 -5.729 -19.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 10.276 -4.848 -17.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 9.323 -5.898 -18.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 9.817 -6.359 -17.169 1.00 0.00 H new ATOM 540 N VAL A 34 7.082 -9.691 -17.604 1.00 0.00 N ATOM 541 CA VAL A 34 5.628 -9.410 -17.713 1.00 0.00 C ATOM 542 C VAL A 34 5.287 -7.936 -17.538 1.00 0.00 C ATOM 543 O VAL A 34 5.877 -7.233 -16.743 1.00 0.00 O ATOM 544 CB VAL A 34 4.919 -10.214 -16.612 1.00 0.00 C ATOM 545 CG1 VAL A 34 5.666 -10.031 -15.289 1.00 0.00 C ATOM 546 CG2 VAL A 34 3.491 -9.705 -16.453 1.00 0.00 C ATOM 0 H VAL A 34 7.584 -9.172 -16.883 1.00 0.00 H new ATOM 0 HA VAL A 34 5.303 -9.693 -18.714 1.00 0.00 H new ATOM 0 HB VAL A 34 4.905 -11.269 -16.885 1.00 0.00 H new ATOM 0 HG11 VAL A 34 5.165 -10.601 -14.506 1.00 0.00 H new ATOM 0 HG12 VAL A 34 6.690 -10.387 -15.397 1.00 0.00 H new ATOM 0 HG13 VAL A 34 5.676 -8.975 -15.020 1.00 0.00 H new ATOM 0 HG21 VAL A 34 2.987 -10.274 -15.672 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.509 -8.650 -16.179 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.955 -9.826 -17.394 1.00 0.00 H new ATOM 556 N PHE A 35 4.322 -7.511 -18.311 1.00 0.00 N ATOM 557 CA PHE A 35 3.868 -6.106 -18.264 1.00 0.00 C ATOM 558 C PHE A 35 2.618 -6.045 -17.396 1.00 0.00 C ATOM 559 O PHE A 35 1.977 -7.066 -17.193 1.00 0.00 O ATOM 560 CB PHE A 35 3.518 -5.663 -19.697 1.00 0.00 C ATOM 561 CG PHE A 35 4.798 -5.279 -20.458 1.00 0.00 C ATOM 562 CD1 PHE A 35 6.041 -5.738 -20.043 1.00 0.00 C ATOM 563 CD2 PHE A 35 4.724 -4.468 -21.577 1.00 0.00 C ATOM 564 CE1 PHE A 35 7.181 -5.387 -20.738 1.00 0.00 C ATOM 565 CE2 PHE A 35 5.867 -4.122 -22.268 1.00 0.00 C ATOM 566 CZ PHE A 35 7.093 -4.582 -21.847 1.00 0.00 C ATOM 0 H PHE A 35 3.825 -8.096 -18.983 1.00 0.00 H new ATOM 0 HA PHE A 35 4.641 -5.455 -17.855 1.00 0.00 H new ATOM 0 HB2 PHE A 35 3.003 -6.469 -20.220 1.00 0.00 H new ATOM 0 HB3 PHE A 35 2.835 -4.814 -19.667 1.00 0.00 H new ATOM 0 HD1 PHE A 35 6.116 -6.373 -19.172 1.00 0.00 H new ATOM 0 HD2 PHE A 35 3.764 -4.103 -21.912 1.00 0.00 H new ATOM 0 HE1 PHE A 35 8.145 -5.747 -20.409 1.00 0.00 H new ATOM 0 HE2 PHE A 35 5.799 -3.489 -23.141 1.00 0.00 H new ATOM 0 HZ PHE A 35 7.987 -4.310 -22.389 1.00 0.00 H new ATOM 576 N TYR A 36 2.271 -4.864 -16.910 1.00 0.00 N ATOM 577 CA TYR A 36 1.044 -4.770 -16.039 1.00 0.00 C ATOM 578 C TYR A 36 0.003 -3.771 -16.529 1.00 0.00 C ATOM 579 O TYR A 36 0.159 -3.115 -17.530 1.00 0.00 O ATOM 580 CB TYR A 36 1.499 -4.320 -14.646 1.00 0.00 C ATOM 581 CG TYR A 36 2.135 -5.497 -13.915 1.00 0.00 C ATOM 582 CD1 TYR A 36 1.417 -6.650 -13.692 1.00 0.00 C ATOM 583 CD2 TYR A 36 3.434 -5.419 -13.462 1.00 0.00 C ATOM 584 CE1 TYR A 36 1.985 -7.709 -13.026 1.00 0.00 C ATOM 585 CE2 TYR A 36 4.007 -6.479 -12.794 1.00 0.00 C ATOM 586 CZ TYR A 36 3.289 -7.635 -12.568 1.00 0.00 C ATOM 587 OH TYR A 36 3.859 -8.694 -11.884 1.00 0.00 O ATOM 0 H TYR A 36 2.768 -3.988 -17.073 1.00 0.00 H new ATOM 0 HA TYR A 36 0.571 -5.752 -16.049 1.00 0.00 H new ATOM 0 HB2 TYR A 36 2.214 -3.502 -14.732 1.00 0.00 H new ATOM 0 HB3 TYR A 36 0.649 -3.942 -14.078 1.00 0.00 H new ATOM 0 HD1 TYR A 36 0.398 -6.723 -14.044 1.00 0.00 H new ATOM 0 HD2 TYR A 36 4.008 -4.520 -13.632 1.00 0.00 H new ATOM 0 HE1 TYR A 36 1.409 -8.607 -12.858 1.00 0.00 H new ATOM 0 HE2 TYR A 36 5.026 -6.404 -12.445 1.00 0.00 H new ATOM 0 HH TYR A 36 4.764 -8.449 -11.597 1.00 0.00 H new ATOM 597 N SER A 37 -1.063 -3.710 -15.778 1.00 0.00 N ATOM 598 CA SER A 37 -2.179 -2.794 -16.099 1.00 0.00 C ATOM 599 C SER A 37 -3.016 -2.594 -14.843 1.00 0.00 C ATOM 600 O SER A 37 -3.092 -3.484 -14.024 1.00 0.00 O ATOM 601 CB SER A 37 -3.052 -3.439 -17.189 1.00 0.00 C ATOM 602 OG SER A 37 -2.420 -3.069 -18.405 1.00 0.00 O ATOM 0 H SER A 37 -1.204 -4.272 -14.938 1.00 0.00 H new ATOM 0 HA SER A 37 -1.796 -1.836 -16.451 1.00 0.00 H new ATOM 0 HB2 SER A 37 -3.095 -4.522 -17.076 1.00 0.00 H new ATOM 0 HB3 SER A 37 -4.078 -3.073 -17.146 1.00 0.00 H new ATOM 0 HG SER A 37 -1.470 -2.892 -18.240 1.00 0.00 H new ATOM 608 N ILE A 38 -3.625 -1.436 -14.701 1.00 0.00 N ATOM 609 CA ILE A 38 -4.460 -1.190 -13.478 1.00 0.00 C ATOM 610 C ILE A 38 -5.866 -0.730 -13.833 1.00 0.00 C ATOM 611 O ILE A 38 -6.084 -0.086 -14.840 1.00 0.00 O ATOM 612 CB ILE A 38 -3.785 -0.097 -12.651 1.00 0.00 C ATOM 613 CG1 ILE A 38 -4.741 0.401 -11.574 1.00 0.00 C ATOM 614 CG2 ILE A 38 -3.439 1.075 -13.580 1.00 0.00 C ATOM 615 CD1 ILE A 38 -3.938 0.780 -10.328 1.00 0.00 C ATOM 0 H ILE A 38 -3.582 -0.664 -15.366 1.00 0.00 H new ATOM 0 HA ILE A 38 -4.541 -2.125 -12.923 1.00 0.00 H new ATOM 0 HB ILE A 38 -2.886 -0.497 -12.182 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -5.301 1.263 -11.937 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -5.469 -0.373 -11.331 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -2.956 1.865 -13.005 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -2.763 0.731 -14.363 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -4.352 1.462 -14.033 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -4.616 1.137 -9.553 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -3.398 -0.094 -9.963 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -3.227 1.567 -10.579 1.00 0.00 H new ATOM 627 N THR A 39 -6.798 -1.077 -12.983 1.00 0.00 N ATOM 628 CA THR A 39 -8.203 -0.684 -13.225 1.00 0.00 C ATOM 629 C THR A 39 -9.006 -0.756 -11.926 1.00 0.00 C ATOM 630 O THR A 39 -8.590 -1.397 -10.972 1.00 0.00 O ATOM 631 CB THR A 39 -8.811 -1.660 -14.240 1.00 0.00 C ATOM 632 OG1 THR A 39 -10.138 -1.217 -14.437 1.00 0.00 O ATOM 633 CG2 THR A 39 -8.959 -3.063 -13.633 1.00 0.00 C ATOM 0 H THR A 39 -6.638 -1.617 -12.132 1.00 0.00 H new ATOM 0 HA THR A 39 -8.234 0.338 -13.603 1.00 0.00 H new ATOM 0 HB THR A 39 -8.188 -1.695 -15.134 1.00 0.00 H new ATOM 0 HG1 THR A 39 -10.166 -0.238 -14.391 1.00 0.00 H new ATOM 0 HG21 THR A 39 -9.392 -3.736 -14.373 1.00 0.00 H new ATOM 0 HG22 THR A 39 -7.979 -3.435 -13.334 1.00 0.00 H new ATOM 0 HG23 THR A 39 -9.611 -3.015 -12.761 1.00 0.00 H new ATOM 641 N GLY A 40 -10.134 -0.081 -11.907 1.00 0.00 N ATOM 642 CA GLY A 40 -10.991 -0.093 -10.676 1.00 0.00 C ATOM 643 C GLY A 40 -11.039 1.292 -10.025 1.00 0.00 C ATOM 644 O GLY A 40 -10.556 2.264 -10.578 1.00 0.00 O ATOM 0 H GLY A 40 -10.495 0.473 -12.684 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -12.001 -0.412 -10.935 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -10.600 -0.820 -9.964 1.00 0.00 H new ATOM 648 N GLN A 41 -11.625 1.350 -8.857 1.00 0.00 N ATOM 649 CA GLN A 41 -11.721 2.649 -8.146 1.00 0.00 C ATOM 650 C GLN A 41 -10.348 3.290 -8.007 1.00 0.00 C ATOM 651 O GLN A 41 -9.476 2.749 -7.359 1.00 0.00 O ATOM 652 CB GLN A 41 -12.292 2.393 -6.743 1.00 0.00 C ATOM 653 CG GLN A 41 -11.936 0.969 -6.308 1.00 0.00 C ATOM 654 CD GLN A 41 -12.236 0.803 -4.817 1.00 0.00 C ATOM 655 OE1 GLN A 41 -11.360 0.525 -4.023 1.00 0.00 O ATOM 656 NE2 GLN A 41 -13.462 0.963 -4.396 1.00 0.00 N ATOM 0 H GLN A 41 -12.038 0.554 -8.370 1.00 0.00 H new ATOM 0 HA GLN A 41 -12.365 3.320 -8.714 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -11.886 3.115 -6.035 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -13.374 2.525 -6.748 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -12.509 0.246 -6.888 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -10.882 0.770 -6.502 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -14.202 1.197 -5.058 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -13.679 0.854 -3.405 1.00 0.00 H new ATOM 665 N GLY A 42 -10.189 4.438 -8.617 1.00 0.00 N ATOM 666 CA GLY A 42 -8.872 5.149 -8.540 1.00 0.00 C ATOM 667 C GLY A 42 -8.273 5.287 -9.939 1.00 0.00 C ATOM 668 O GLY A 42 -7.369 6.074 -10.156 1.00 0.00 O ATOM 0 H GLY A 42 -10.908 4.913 -9.162 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -9.006 6.134 -8.094 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -8.188 4.597 -7.895 1.00 0.00 H new ATOM 672 N ALA A 43 -8.789 4.505 -10.854 1.00 0.00 N ATOM 673 CA ALA A 43 -8.284 4.554 -12.249 1.00 0.00 C ATOM 674 C ALA A 43 -9.411 4.939 -13.193 1.00 0.00 C ATOM 675 O ALA A 43 -9.398 6.008 -13.774 1.00 0.00 O ATOM 676 CB ALA A 43 -7.773 3.155 -12.628 1.00 0.00 C ATOM 0 H ALA A 43 -9.540 3.835 -10.689 1.00 0.00 H new ATOM 0 HA ALA A 43 -7.484 5.291 -12.326 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -7.397 3.170 -13.651 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -6.970 2.865 -11.950 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -8.589 2.437 -12.552 1.00 0.00 H new ATOM 682 N ASP A 44 -10.373 4.055 -13.317 1.00 0.00 N ATOM 683 CA ASP A 44 -11.527 4.329 -14.216 1.00 0.00 C ATOM 684 C ASP A 44 -12.809 4.497 -13.408 1.00 0.00 C ATOM 685 O ASP A 44 -13.746 5.130 -13.854 1.00 0.00 O ATOM 686 CB ASP A 44 -11.693 3.131 -15.164 1.00 0.00 C ATOM 687 CG ASP A 44 -11.497 1.832 -14.379 1.00 0.00 C ATOM 688 OD1 ASP A 44 -10.351 1.563 -14.055 1.00 0.00 O ATOM 689 OD2 ASP A 44 -12.503 1.183 -14.147 1.00 0.00 O ATOM 0 H ASP A 44 -10.404 3.158 -12.833 1.00 0.00 H new ATOM 0 HA ASP A 44 -11.340 5.247 -14.772 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -12.683 3.148 -15.620 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -10.968 3.192 -15.975 1.00 0.00 H new ATOM 694 N LYS A 45 -12.823 3.927 -12.226 1.00 0.00 N ATOM 695 CA LYS A 45 -14.034 4.039 -11.369 1.00 0.00 C ATOM 696 C LYS A 45 -13.847 5.134 -10.306 1.00 0.00 C ATOM 697 O LYS A 45 -12.740 5.399 -9.873 1.00 0.00 O ATOM 698 CB LYS A 45 -14.245 2.693 -10.659 1.00 0.00 C ATOM 699 CG LYS A 45 -15.022 1.757 -11.586 1.00 0.00 C ATOM 700 CD LYS A 45 -16.513 2.081 -11.488 1.00 0.00 C ATOM 701 CE LYS A 45 -17.316 0.941 -12.116 1.00 0.00 C ATOM 702 NZ LYS A 45 -17.019 0.834 -13.572 1.00 0.00 N ATOM 0 H LYS A 45 -12.052 3.394 -11.825 1.00 0.00 H new ATOM 0 HA LYS A 45 -14.892 4.296 -11.990 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -13.284 2.251 -10.397 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -14.792 2.840 -9.728 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -14.678 1.875 -12.614 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -14.844 0.718 -11.307 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -16.801 2.214 -10.445 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -16.728 3.019 -12.000 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -17.074 0.001 -11.619 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -18.382 1.115 -11.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -17.701 0.188 -14.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -17.093 1.774 -14.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -16.055 0.466 -13.704 1.00 0.00 H new ATOM 716 N PRO A 46 -14.950 5.752 -9.902 1.00 0.00 N ATOM 717 CA PRO A 46 -14.907 6.813 -8.896 1.00 0.00 C ATOM 718 C PRO A 46 -14.281 6.313 -7.571 1.00 0.00 C ATOM 719 O PRO A 46 -14.678 5.288 -7.056 1.00 0.00 O ATOM 720 CB PRO A 46 -16.387 7.180 -8.647 1.00 0.00 C ATOM 721 CG PRO A 46 -17.255 6.277 -9.575 1.00 0.00 C ATOM 722 CD PRO A 46 -16.289 5.423 -10.411 1.00 0.00 C ATOM 0 HA PRO A 46 -14.303 7.653 -9.237 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -16.651 7.021 -7.601 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -16.563 8.234 -8.864 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -17.917 5.643 -8.985 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -17.888 6.885 -10.221 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -16.504 4.360 -10.298 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -16.375 5.655 -11.473 1.00 0.00 H new ATOM 730 N PRO A 47 -13.304 7.053 -7.038 1.00 0.00 N ATOM 731 CA PRO A 47 -12.759 8.272 -7.660 1.00 0.00 C ATOM 732 C PRO A 47 -12.004 7.940 -8.946 1.00 0.00 C ATOM 733 O PRO A 47 -11.061 7.174 -8.932 1.00 0.00 O ATOM 734 CB PRO A 47 -11.770 8.835 -6.619 1.00 0.00 C ATOM 735 CG PRO A 47 -11.674 7.797 -5.460 1.00 0.00 C ATOM 736 CD PRO A 47 -12.702 6.691 -5.752 1.00 0.00 C ATOM 0 HA PRO A 47 -13.550 8.974 -7.924 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -10.791 9.000 -7.069 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -12.115 9.799 -6.244 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -10.668 7.381 -5.399 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -11.882 8.271 -4.501 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -12.224 5.713 -5.803 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -13.455 6.637 -4.966 1.00 0.00 H new ATOM 744 N VAL A 48 -12.430 8.521 -10.031 1.00 0.00 N ATOM 745 CA VAL A 48 -11.747 8.247 -11.320 1.00 0.00 C ATOM 746 C VAL A 48 -10.470 9.064 -11.464 1.00 0.00 C ATOM 747 O VAL A 48 -10.435 10.233 -11.132 1.00 0.00 O ATOM 748 CB VAL A 48 -12.705 8.626 -12.459 1.00 0.00 C ATOM 749 CG1 VAL A 48 -13.148 10.079 -12.280 1.00 0.00 C ATOM 750 CG2 VAL A 48 -11.979 8.483 -13.797 1.00 0.00 C ATOM 0 H VAL A 48 -13.216 9.169 -10.080 1.00 0.00 H new ATOM 0 HA VAL A 48 -11.479 7.191 -11.355 1.00 0.00 H new ATOM 0 HB VAL A 48 -13.575 7.970 -12.441 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -13.828 10.354 -13.086 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -13.657 10.189 -11.322 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -12.275 10.731 -12.304 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -12.656 8.751 -14.609 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -11.113 9.144 -13.813 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -11.651 7.451 -13.924 1.00 0.00 H new ATOM 760 N GLY A 49 -9.441 8.430 -11.959 1.00 0.00 N ATOM 761 CA GLY A 49 -8.147 9.149 -12.138 1.00 0.00 C ATOM 762 C GLY A 49 -7.454 9.389 -10.792 1.00 0.00 C ATOM 763 O GLY A 49 -7.646 10.413 -10.168 1.00 0.00 O ATOM 0 H GLY A 49 -9.440 7.451 -12.246 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -7.493 8.568 -12.788 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -8.324 10.103 -12.634 1.00 0.00 H new ATOM 767 N VAL A 50 -6.658 8.438 -10.375 1.00 0.00 N ATOM 768 CA VAL A 50 -5.948 8.598 -9.078 1.00 0.00 C ATOM 769 C VAL A 50 -4.603 7.884 -9.107 1.00 0.00 C ATOM 770 O VAL A 50 -3.580 8.481 -8.815 1.00 0.00 O ATOM 771 CB VAL A 50 -6.802 7.983 -7.957 1.00 0.00 C ATOM 772 CG1 VAL A 50 -6.222 8.399 -6.604 1.00 0.00 C ATOM 773 CG2 VAL A 50 -8.234 8.497 -8.065 1.00 0.00 C ATOM 0 H VAL A 50 -6.472 7.567 -10.873 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.785 9.661 -8.902 1.00 0.00 H new ATOM 0 HB VAL A 50 -6.797 6.897 -8.048 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -6.822 7.967 -5.803 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -5.196 8.041 -6.522 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -6.235 9.486 -6.521 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -8.838 8.060 -7.270 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -8.239 9.583 -7.970 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -8.650 8.216 -9.033 1.00 0.00 H new ATOM 783 N PHE A 51 -4.631 6.614 -9.462 1.00 0.00 N ATOM 784 CA PHE A 51 -3.359 5.832 -9.519 1.00 0.00 C ATOM 785 C PHE A 51 -3.019 5.422 -10.946 1.00 0.00 C ATOM 786 O PHE A 51 -3.894 5.188 -11.757 1.00 0.00 O ATOM 787 CB PHE A 51 -3.527 4.560 -8.669 1.00 0.00 C ATOM 788 CG PHE A 51 -3.776 4.954 -7.213 1.00 0.00 C ATOM 789 CD1 PHE A 51 -2.711 5.190 -6.360 1.00 0.00 C ATOM 790 CD2 PHE A 51 -5.065 5.087 -6.729 1.00 0.00 C ATOM 791 CE1 PHE A 51 -2.934 5.552 -5.047 1.00 0.00 C ATOM 792 CE2 PHE A 51 -5.285 5.448 -5.414 1.00 0.00 C ATOM 793 CZ PHE A 51 -4.219 5.681 -4.576 1.00 0.00 C ATOM 0 H PHE A 51 -5.473 6.096 -9.711 1.00 0.00 H new ATOM 0 HA PHE A 51 -2.552 6.459 -9.140 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -4.360 3.965 -9.044 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -2.634 3.939 -8.742 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -1.699 5.090 -6.725 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -5.905 4.907 -7.384 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -2.098 5.734 -4.388 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -6.295 5.547 -5.043 1.00 0.00 H new ATOM 0 HZ PHE A 51 -4.392 5.965 -3.548 1.00 0.00 H new ATOM 803 N ILE A 52 -1.744 5.347 -11.220 1.00 0.00 N ATOM 804 CA ILE A 52 -1.295 4.954 -12.578 1.00 0.00 C ATOM 805 C ILE A 52 -0.094 4.024 -12.480 1.00 0.00 C ATOM 806 O ILE A 52 0.644 4.073 -11.517 1.00 0.00 O ATOM 807 CB ILE A 52 -0.884 6.219 -13.337 1.00 0.00 C ATOM 808 CG1 ILE A 52 0.300 6.875 -12.640 1.00 0.00 C ATOM 809 CG2 ILE A 52 -2.064 7.204 -13.329 1.00 0.00 C ATOM 810 CD1 ILE A 52 0.674 8.155 -13.391 1.00 0.00 C ATOM 0 H ILE A 52 -0.995 5.543 -10.556 1.00 0.00 H new ATOM 0 HA ILE A 52 -2.104 4.440 -13.097 1.00 0.00 H new ATOM 0 HB ILE A 52 -0.609 5.957 -14.359 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.047 7.106 -11.605 1.00 0.00 H new ATOM 0 HG13 ILE A 52 1.149 6.191 -12.616 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -1.785 8.110 -13.867 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.925 6.744 -13.815 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.320 7.457 -12.300 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.522 8.631 -12.898 1.00 0.00 H new ATOM 0 HD12 ILE A 52 0.943 7.909 -14.418 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -0.176 8.838 -13.392 1.00 0.00 H new ATOM 822 N ILE A 53 0.086 3.194 -13.477 1.00 0.00 N ATOM 823 CA ILE A 53 1.241 2.253 -13.446 1.00 0.00 C ATOM 824 C ILE A 53 1.890 2.120 -14.812 1.00 0.00 C ATOM 825 O ILE A 53 1.230 2.204 -15.829 1.00 0.00 O ATOM 826 CB ILE A 53 0.725 0.874 -13.035 1.00 0.00 C ATOM 827 CG1 ILE A 53 -0.222 1.002 -11.857 1.00 0.00 C ATOM 828 CG2 ILE A 53 1.923 0.009 -12.612 1.00 0.00 C ATOM 829 CD1 ILE A 53 -0.495 -0.392 -11.285 1.00 0.00 C ATOM 0 H ILE A 53 -0.511 3.129 -14.301 1.00 0.00 H new ATOM 0 HA ILE A 53 1.980 2.639 -12.743 1.00 0.00 H new ATOM 0 HB ILE A 53 0.197 0.420 -13.874 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.213 1.645 -11.092 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -1.155 1.469 -12.173 1.00 0.00 H new ATOM 0 HG21 ILE A 53 1.572 -0.979 -12.315 1.00 0.00 H new ATOM 0 HG22 ILE A 53 2.615 -0.088 -13.448 1.00 0.00 H new ATOM 0 HG23 ILE A 53 2.433 0.480 -11.772 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -1.175 -0.311 -10.437 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -0.947 -1.019 -12.054 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.443 -0.840 -10.956 1.00 0.00 H new ATOM 841 N GLU A 54 3.182 1.913 -14.814 1.00 0.00 N ATOM 842 CA GLU A 54 3.888 1.769 -16.104 1.00 0.00 C ATOM 843 C GLU A 54 3.748 0.337 -16.604 1.00 0.00 C ATOM 844 O GLU A 54 4.444 -0.559 -16.162 1.00 0.00 O ATOM 845 CB GLU A 54 5.374 2.098 -15.892 1.00 0.00 C ATOM 846 CG GLU A 54 5.791 3.192 -16.878 1.00 0.00 C ATOM 847 CD GLU A 54 5.529 2.714 -18.308 1.00 0.00 C ATOM 848 OE1 GLU A 54 6.292 1.868 -18.744 1.00 0.00 O ATOM 849 OE2 GLU A 54 4.581 3.221 -18.884 1.00 0.00 O ATOM 0 H GLU A 54 3.767 1.839 -13.982 1.00 0.00 H new ATOM 0 HA GLU A 54 3.459 2.448 -16.841 1.00 0.00 H new ATOM 0 HB2 GLU A 54 5.543 2.431 -14.868 1.00 0.00 H new ATOM 0 HB3 GLU A 54 5.982 1.206 -16.042 1.00 0.00 H new ATOM 0 HG2 GLU A 54 5.233 4.107 -16.681 1.00 0.00 H new ATOM 0 HG3 GLU A 54 6.847 3.429 -16.750 1.00 0.00 H new ATOM 856 N ARG A 55 2.841 0.150 -17.513 1.00 0.00 N ATOM 857 CA ARG A 55 2.618 -1.202 -18.065 1.00 0.00 C ATOM 858 C ARG A 55 3.931 -1.912 -18.382 1.00 0.00 C ATOM 859 O ARG A 55 3.973 -3.126 -18.456 1.00 0.00 O ATOM 860 CB ARG A 55 1.807 -1.046 -19.367 1.00 0.00 C ATOM 861 CG ARG A 55 1.771 -2.383 -20.106 1.00 0.00 C ATOM 862 CD ARG A 55 0.715 -2.322 -21.212 1.00 0.00 C ATOM 863 NE ARG A 55 0.556 -0.909 -21.655 1.00 0.00 N ATOM 864 CZ ARG A 55 -0.638 -0.385 -21.707 1.00 0.00 C ATOM 865 NH1 ARG A 55 -1.395 -0.643 -22.738 1.00 0.00 N ATOM 866 NH2 ARG A 55 -1.036 0.377 -20.726 1.00 0.00 N ATOM 0 H ARG A 55 2.243 0.881 -17.898 1.00 0.00 H new ATOM 0 HA ARG A 55 2.089 -1.803 -17.325 1.00 0.00 H new ATOM 0 HB2 ARG A 55 0.793 -0.716 -19.140 1.00 0.00 H new ATOM 0 HB3 ARG A 55 2.257 -0.281 -19.999 1.00 0.00 H new ATOM 0 HG2 ARG A 55 2.750 -2.602 -20.533 1.00 0.00 H new ATOM 0 HG3 ARG A 55 1.539 -3.190 -19.411 1.00 0.00 H new ATOM 0 HD2 ARG A 55 1.014 -2.948 -22.052 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -0.235 -2.711 -20.847 1.00 0.00 H new ATOM 0 HE ARG A 55 1.373 -0.356 -21.915 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -1.051 -1.245 -23.486 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -2.331 -0.242 -22.796 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -0.417 0.555 -19.935 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -1.966 0.795 -20.750 1.00 0.00 H new ATOM 880 N GLU A 56 4.984 -1.151 -18.535 1.00 0.00 N ATOM 881 CA GLU A 56 6.296 -1.778 -18.848 1.00 0.00 C ATOM 882 C GLU A 56 7.105 -2.073 -17.587 1.00 0.00 C ATOM 883 O GLU A 56 7.300 -3.217 -17.226 1.00 0.00 O ATOM 884 CB GLU A 56 7.103 -0.801 -19.720 1.00 0.00 C ATOM 885 CG GLU A 56 6.187 -0.190 -20.782 1.00 0.00 C ATOM 886 CD GLU A 56 5.821 -1.262 -21.811 1.00 0.00 C ATOM 887 OE1 GLU A 56 6.602 -1.411 -22.737 1.00 0.00 O ATOM 888 OE2 GLU A 56 4.783 -1.870 -21.613 1.00 0.00 O ATOM 0 H GLU A 56 4.990 -0.134 -18.457 1.00 0.00 H new ATOM 0 HA GLU A 56 6.108 -2.721 -19.361 1.00 0.00 H new ATOM 0 HB2 GLU A 56 7.534 -0.015 -19.100 1.00 0.00 H new ATOM 0 HB3 GLU A 56 7.933 -1.323 -20.197 1.00 0.00 H new ATOM 0 HG2 GLU A 56 5.285 0.206 -20.316 1.00 0.00 H new ATOM 0 HG3 GLU A 56 6.686 0.646 -21.272 1.00 0.00 H new ATOM 895 N THR A 57 7.562 -1.037 -16.941 1.00 0.00 N ATOM 896 CA THR A 57 8.363 -1.241 -15.704 1.00 0.00 C ATOM 897 C THR A 57 7.479 -1.514 -14.493 1.00 0.00 C ATOM 898 O THR A 57 7.947 -1.521 -13.373 1.00 0.00 O ATOM 899 CB THR A 57 9.175 0.028 -15.442 1.00 0.00 C ATOM 900 OG1 THR A 57 8.219 1.039 -15.195 1.00 0.00 O ATOM 901 CG2 THR A 57 9.902 0.484 -16.716 1.00 0.00 C ATOM 0 H THR A 57 7.417 -0.065 -17.214 1.00 0.00 H new ATOM 0 HA THR A 57 9.009 -2.107 -15.852 1.00 0.00 H new ATOM 0 HB THR A 57 9.890 -0.150 -14.638 1.00 0.00 H new ATOM 0 HG1 THR A 57 8.577 1.905 -15.483 1.00 0.00 H new ATOM 0 HG21 THR A 57 10.473 1.388 -16.505 1.00 0.00 H new ATOM 0 HG22 THR A 57 10.578 -0.303 -17.050 1.00 0.00 H new ATOM 0 HG23 THR A 57 9.171 0.690 -17.498 1.00 0.00 H new ATOM 909 N GLY A 58 6.221 -1.734 -14.731 1.00 0.00 N ATOM 910 CA GLY A 58 5.303 -2.009 -13.591 1.00 0.00 C ATOM 911 C GLY A 58 5.494 -0.978 -12.472 1.00 0.00 C ATOM 912 O GLY A 58 5.138 -1.224 -11.334 1.00 0.00 O ATOM 0 H GLY A 58 5.789 -1.736 -15.655 1.00 0.00 H new ATOM 0 HA2 GLY A 58 4.270 -1.988 -13.938 1.00 0.00 H new ATOM 0 HA3 GLY A 58 5.488 -3.011 -13.203 1.00 0.00 H new ATOM 916 N TRP A 59 6.057 0.154 -12.811 1.00 0.00 N ATOM 917 CA TRP A 59 6.269 1.198 -11.772 1.00 0.00 C ATOM 918 C TRP A 59 4.928 1.774 -11.327 1.00 0.00 C ATOM 919 O TRP A 59 4.242 2.415 -12.099 1.00 0.00 O ATOM 920 CB TRP A 59 7.120 2.331 -12.379 1.00 0.00 C ATOM 921 CG TRP A 59 8.551 2.244 -11.843 1.00 0.00 C ATOM 922 CD1 TRP A 59 9.617 2.021 -12.596 1.00 0.00 C ATOM 923 CD2 TRP A 59 8.882 2.387 -10.587 1.00 0.00 C ATOM 924 NE1 TRP A 59 10.636 2.035 -11.717 1.00 0.00 N ATOM 925 CE2 TRP A 59 10.248 2.263 -10.409 1.00 0.00 C ATOM 926 CE3 TRP A 59 8.065 2.634 -9.503 1.00 0.00 C ATOM 927 CZ2 TRP A 59 10.793 2.386 -9.148 1.00 0.00 C ATOM 928 CZ3 TRP A 59 8.612 2.758 -8.242 1.00 0.00 C ATOM 929 CH2 TRP A 59 9.976 2.635 -8.064 1.00 0.00 C ATOM 0 H TRP A 59 6.374 0.396 -13.750 1.00 0.00 H new ATOM 0 HA TRP A 59 6.773 0.757 -10.912 1.00 0.00 H new ATOM 0 HB2 TRP A 59 7.123 2.254 -13.466 1.00 0.00 H new ATOM 0 HB3 TRP A 59 6.686 3.299 -12.129 1.00 0.00 H new ATOM 0 HD1 TRP A 59 9.659 1.865 -13.664 1.00 0.00 H new ATOM 0 HE1 TRP A 59 11.608 1.890 -11.991 1.00 0.00 H new ATOM 0 HE3 TRP A 59 6.998 2.730 -9.641 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 11.859 2.287 -9.009 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 7.973 2.951 -7.393 1.00 0.00 H new ATOM 0 HH2 TRP A 59 10.403 2.734 -7.077 1.00 0.00 H new ATOM 940 N LEU A 60 4.573 1.535 -10.088 1.00 0.00 N ATOM 941 CA LEU A 60 3.277 2.066 -9.586 1.00 0.00 C ATOM 942 C LEU A 60 3.426 3.490 -9.067 1.00 0.00 C ATOM 943 O LEU A 60 4.133 3.732 -8.105 1.00 0.00 O ATOM 944 CB LEU A 60 2.790 1.168 -8.433 1.00 0.00 C ATOM 945 CG LEU A 60 1.256 1.200 -8.386 1.00 0.00 C ATOM 946 CD1 LEU A 60 0.770 0.538 -7.098 1.00 0.00 C ATOM 947 CD2 LEU A 60 0.776 2.651 -8.410 1.00 0.00 C ATOM 0 H LEU A 60 5.120 1.001 -9.413 1.00 0.00 H new ATOM 0 HA LEU A 60 2.562 2.071 -10.409 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.141 0.146 -8.578 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.203 1.515 -7.486 1.00 0.00 H new ATOM 0 HG LEU A 60 0.859 0.664 -9.248 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -0.319 0.561 -7.066 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.112 -0.497 -7.069 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.170 1.076 -6.239 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.313 2.675 -8.377 1.00 0.00 H new ATOM 0 HD22 LEU A 60 1.177 3.181 -7.546 1.00 0.00 H new ATOM 0 HD23 LEU A 60 1.121 3.133 -9.324 1.00 0.00 H new ATOM 959 N LYS A 61 2.746 4.406 -9.720 1.00 0.00 N ATOM 960 CA LYS A 61 2.812 5.834 -9.300 1.00 0.00 C ATOM 961 C LYS A 61 1.414 6.370 -9.035 1.00 0.00 C ATOM 962 O LYS A 61 0.441 5.807 -9.496 1.00 0.00 O ATOM 963 CB LYS A 61 3.437 6.656 -10.444 1.00 0.00 C ATOM 964 CG LYS A 61 4.452 5.797 -11.202 1.00 0.00 C ATOM 965 CD LYS A 61 4.983 6.596 -12.396 1.00 0.00 C ATOM 966 CE LYS A 61 6.264 5.939 -12.913 1.00 0.00 C ATOM 967 NZ LYS A 61 7.244 5.758 -11.804 1.00 0.00 N ATOM 0 H LYS A 61 2.149 4.220 -10.526 1.00 0.00 H new ATOM 0 HA LYS A 61 3.409 5.912 -8.391 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.658 7.001 -11.124 1.00 0.00 H new ATOM 0 HB3 LYS A 61 3.926 7.544 -10.042 1.00 0.00 H new ATOM 0 HG2 LYS A 61 5.273 5.513 -10.543 1.00 0.00 H new ATOM 0 HG3 LYS A 61 3.984 4.874 -11.544 1.00 0.00 H new ATOM 0 HD2 LYS A 61 4.234 6.631 -13.187 1.00 0.00 H new ATOM 0 HD3 LYS A 61 5.183 7.626 -12.100 1.00 0.00 H new ATOM 0 HE2 LYS A 61 6.029 4.973 -13.360 1.00 0.00 H new ATOM 0 HE3 LYS A 61 6.704 6.554 -13.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 8.027 6.432 -11.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 6.772 5.928 -10.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 7.617 4.787 -11.825 1.00 0.00 H new ATOM 981 N VAL A 62 1.340 7.451 -8.292 1.00 0.00 N ATOM 982 CA VAL A 62 0.008 8.049 -7.982 1.00 0.00 C ATOM 983 C VAL A 62 -0.030 9.522 -8.362 1.00 0.00 C ATOM 984 O VAL A 62 0.920 10.248 -8.147 1.00 0.00 O ATOM 985 CB VAL A 62 -0.244 7.922 -6.470 1.00 0.00 C ATOM 986 CG1 VAL A 62 1.055 8.196 -5.715 1.00 0.00 C ATOM 987 CG2 VAL A 62 -1.298 8.948 -6.049 1.00 0.00 C ATOM 0 H VAL A 62 2.141 7.939 -7.891 1.00 0.00 H new ATOM 0 HA VAL A 62 -0.756 7.522 -8.553 1.00 0.00 H new ATOM 0 HB VAL A 62 -0.595 6.916 -6.240 1.00 0.00 H new ATOM 0 HG11 VAL A 62 0.879 8.107 -4.643 1.00 0.00 H new ATOM 0 HG12 VAL A 62 1.812 7.474 -6.020 1.00 0.00 H new ATOM 0 HG13 VAL A 62 1.403 9.204 -5.943 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -1.481 8.863 -4.978 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -0.940 9.952 -6.277 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -2.225 8.761 -6.591 1.00 0.00 H new ATOM 997 N THR A 63 -1.133 9.936 -8.925 1.00 0.00 N ATOM 998 CA THR A 63 -1.257 11.356 -9.328 1.00 0.00 C ATOM 999 C THR A 63 -1.846 12.185 -8.196 1.00 0.00 C ATOM 1000 O THR A 63 -1.345 13.245 -7.876 1.00 0.00 O ATOM 1001 CB THR A 63 -2.193 11.435 -10.537 1.00 0.00 C ATOM 1002 OG1 THR A 63 -3.279 10.584 -10.226 1.00 0.00 O ATOM 1003 CG2 THR A 63 -1.544 10.797 -11.773 1.00 0.00 C ATOM 0 H THR A 63 -1.946 9.352 -9.120 1.00 0.00 H new ATOM 0 HA THR A 63 -0.269 11.747 -9.572 1.00 0.00 H new ATOM 0 HB THR A 63 -2.452 12.475 -10.736 1.00 0.00 H new ATOM 0 HG1 THR A 63 -3.922 10.590 -10.966 1.00 0.00 H new ATOM 0 HG21 THR A 63 -2.228 10.865 -12.619 1.00 0.00 H new ATOM 0 HG22 THR A 63 -0.619 11.323 -12.011 1.00 0.00 H new ATOM 0 HG23 THR A 63 -1.323 9.749 -11.568 1.00 0.00 H new ATOM 1011 N GLN A 64 -2.903 11.682 -7.608 1.00 0.00 N ATOM 1012 CA GLN A 64 -3.546 12.422 -6.491 1.00 0.00 C ATOM 1013 C GLN A 64 -3.119 11.825 -5.136 1.00 0.00 C ATOM 1014 O GLN A 64 -3.148 10.623 -4.960 1.00 0.00 O ATOM 1015 CB GLN A 64 -5.070 12.270 -6.632 1.00 0.00 C ATOM 1016 CG GLN A 64 -5.570 13.206 -7.735 1.00 0.00 C ATOM 1017 CD GLN A 64 -7.087 13.060 -7.875 1.00 0.00 C ATOM 1018 OE1 GLN A 64 -7.753 12.434 -6.943 1.00 0.00 O flip ATOM 1019 NE2 GLN A 64 -7.679 13.515 -8.833 1.00 0.00 N flip ATOM 0 H GLN A 64 -3.343 10.795 -7.855 1.00 0.00 H new ATOM 0 HA GLN A 64 -3.247 13.469 -6.529 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -5.324 11.238 -6.872 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -5.560 12.507 -5.688 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -5.313 14.238 -7.496 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -5.082 12.967 -8.680 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -7.165 14.005 -9.565 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -8.691 13.407 -8.906 1.00 0.00 H new ATOM 1028 N PRO A 65 -2.728 12.676 -4.193 1.00 0.00 N ATOM 1029 CA PRO A 65 -2.307 12.203 -2.877 1.00 0.00 C ATOM 1030 C PRO A 65 -3.444 11.472 -2.177 1.00 0.00 C ATOM 1031 O PRO A 65 -4.581 11.553 -2.597 1.00 0.00 O ATOM 1032 CB PRO A 65 -1.949 13.478 -2.088 1.00 0.00 C ATOM 1033 CG PRO A 65 -2.283 14.697 -3.002 1.00 0.00 C ATOM 1034 CD PRO A 65 -2.695 14.136 -4.372 1.00 0.00 C ATOM 0 HA PRO A 65 -1.472 11.506 -2.950 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -2.517 13.527 -1.159 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -0.893 13.479 -1.817 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -3.089 15.292 -2.571 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -1.419 15.354 -3.099 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -3.669 14.518 -4.678 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -1.983 14.422 -5.146 1.00 0.00 H new ATOM 1042 N LEU A 66 -3.123 10.773 -1.115 1.00 0.00 N ATOM 1043 CA LEU A 66 -4.185 10.032 -0.382 1.00 0.00 C ATOM 1044 C LEU A 66 -4.669 10.830 0.820 1.00 0.00 C ATOM 1045 O LEU A 66 -4.065 11.816 1.195 1.00 0.00 O ATOM 1046 CB LEU A 66 -3.600 8.704 0.094 1.00 0.00 C ATOM 1047 CG LEU A 66 -3.542 7.747 -1.098 1.00 0.00 C ATOM 1048 CD1 LEU A 66 -2.316 8.083 -1.952 1.00 0.00 C ATOM 1049 CD2 LEU A 66 -3.429 6.316 -0.588 1.00 0.00 C ATOM 0 H LEU A 66 -2.182 10.687 -0.731 1.00 0.00 H new ATOM 0 HA LEU A 66 -5.034 9.865 -1.046 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -2.603 8.855 0.508 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -4.214 8.282 0.889 1.00 0.00 H new ATOM 0 HG LEU A 66 -4.446 7.849 -1.699 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -2.269 7.404 -2.804 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -2.392 9.110 -2.310 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -1.413 7.974 -1.351 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -3.387 5.630 -1.434 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -2.522 6.213 0.008 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -4.297 6.080 0.028 1.00 0.00 H new ATOM 1061 N ASP A 67 -5.755 10.392 1.407 1.00 0.00 N ATOM 1062 CA ASP A 67 -6.286 11.127 2.590 1.00 0.00 C ATOM 1063 C ASP A 67 -6.935 10.181 3.594 1.00 0.00 C ATOM 1064 O ASP A 67 -8.070 9.777 3.430 1.00 0.00 O ATOM 1065 CB ASP A 67 -7.345 12.124 2.095 1.00 0.00 C ATOM 1066 CG ASP A 67 -7.631 13.148 3.195 1.00 0.00 C ATOM 1067 OD1 ASP A 67 -7.503 12.759 4.344 1.00 0.00 O ATOM 1068 OD2 ASP A 67 -7.963 14.261 2.824 1.00 0.00 O ATOM 0 H ASP A 67 -6.288 9.570 1.122 1.00 0.00 H new ATOM 0 HA ASP A 67 -5.459 11.633 3.088 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -6.993 12.629 1.195 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -8.260 11.596 1.827 1.00 0.00 H new ATOM 1073 N ARG A 68 -6.202 9.854 4.626 1.00 0.00 N ATOM 1074 CA ARG A 68 -6.753 8.937 5.655 1.00 0.00 C ATOM 1075 C ARG A 68 -8.097 9.442 6.168 1.00 0.00 C ATOM 1076 O ARG A 68 -8.875 8.690 6.721 1.00 0.00 O ATOM 1077 CB ARG A 68 -5.767 8.885 6.831 1.00 0.00 C ATOM 1078 CG ARG A 68 -5.618 7.436 7.299 1.00 0.00 C ATOM 1079 CD ARG A 68 -5.130 7.427 8.750 1.00 0.00 C ATOM 1080 NE ARG A 68 -6.230 7.904 9.635 1.00 0.00 N ATOM 1081 CZ ARG A 68 -6.044 7.939 10.925 1.00 0.00 C ATOM 1082 NH1 ARG A 68 -5.272 7.042 11.475 1.00 0.00 N ATOM 1083 NH2 ARG A 68 -6.635 8.871 11.623 1.00 0.00 N ATOM 0 H ARG A 68 -5.251 10.182 4.796 1.00 0.00 H new ATOM 0 HA ARG A 68 -6.895 7.950 5.214 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -4.799 9.283 6.527 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -6.126 9.509 7.650 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -6.572 6.915 7.220 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -4.911 6.905 6.661 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -4.824 6.421 9.038 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -4.256 8.069 8.857 1.00 0.00 H new ATOM 0 HE ARG A 68 -7.120 8.200 9.235 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -4.826 6.330 10.897 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -5.115 7.053 12.483 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -7.231 9.556 11.158 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -6.501 8.914 12.633 1.00 0.00 H new ATOM 1097 N GLU A 69 -8.348 10.710 5.976 1.00 0.00 N ATOM 1098 CA GLU A 69 -9.634 11.278 6.448 1.00 0.00 C ATOM 1099 C GLU A 69 -10.790 10.821 5.565 1.00 0.00 C ATOM 1100 O GLU A 69 -11.893 10.625 6.038 1.00 0.00 O ATOM 1101 CB GLU A 69 -9.539 12.809 6.387 1.00 0.00 C ATOM 1102 CG GLU A 69 -8.225 13.257 7.028 1.00 0.00 C ATOM 1103 CD GLU A 69 -8.288 13.011 8.537 1.00 0.00 C ATOM 1104 OE1 GLU A 69 -8.025 11.880 8.913 1.00 0.00 O ATOM 1105 OE2 GLU A 69 -8.597 13.967 9.229 1.00 0.00 O ATOM 0 H GLU A 69 -7.720 11.369 5.516 1.00 0.00 H new ATOM 0 HA GLU A 69 -9.820 10.936 7.466 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.586 13.147 5.352 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -10.384 13.259 6.908 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -7.389 12.708 6.593 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -8.051 14.314 6.827 1.00 0.00 H new ATOM 1112 N ALA A 70 -10.518 10.658 4.297 1.00 0.00 N ATOM 1113 CA ALA A 70 -11.592 10.214 3.371 1.00 0.00 C ATOM 1114 C ALA A 70 -11.536 8.706 3.181 1.00 0.00 C ATOM 1115 O ALA A 70 -12.542 8.028 3.245 1.00 0.00 O ATOM 1116 CB ALA A 70 -11.371 10.895 2.011 1.00 0.00 C ATOM 0 H ALA A 70 -9.605 10.812 3.868 1.00 0.00 H new ATOM 0 HA ALA A 70 -12.563 10.482 3.787 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -12.150 10.582 1.316 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -11.410 11.977 2.135 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -10.396 10.610 1.615 1.00 0.00 H new ATOM 1122 N ILE A 71 -10.351 8.213 2.951 1.00 0.00 N ATOM 1123 CA ILE A 71 -10.183 6.753 2.753 1.00 0.00 C ATOM 1124 C ILE A 71 -8.892 6.289 3.413 1.00 0.00 C ATOM 1125 O ILE A 71 -7.884 6.958 3.326 1.00 0.00 O ATOM 1126 CB ILE A 71 -10.100 6.474 1.253 1.00 0.00 C ATOM 1127 CG1 ILE A 71 -11.432 6.803 0.593 1.00 0.00 C ATOM 1128 CG2 ILE A 71 -9.806 4.977 1.050 1.00 0.00 C ATOM 1129 CD1 ILE A 71 -11.298 6.628 -0.921 1.00 0.00 C ATOM 0 H ILE A 71 -9.493 8.761 2.892 1.00 0.00 H new ATOM 0 HA ILE A 71 -11.026 6.222 3.196 1.00 0.00 H new ATOM 0 HB ILE A 71 -9.314 7.085 0.810 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -12.214 6.150 0.979 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -11.726 7.826 0.829 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -9.743 4.760 -0.016 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -8.860 4.724 1.528 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -10.606 4.385 1.494 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -12.249 6.862 -1.400 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -10.527 7.300 -1.298 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -11.023 5.597 -1.145 1.00 0.00 H new ATOM 1141 N ALA A 72 -8.948 5.151 4.063 1.00 0.00 N ATOM 1142 CA ALA A 72 -7.725 4.628 4.741 1.00 0.00 C ATOM 1143 C ALA A 72 -7.073 3.508 3.936 1.00 0.00 C ATOM 1144 O ALA A 72 -5.943 3.142 4.189 1.00 0.00 O ATOM 1145 CB ALA A 72 -8.139 4.068 6.109 1.00 0.00 C ATOM 0 H ALA A 72 -9.780 4.568 4.152 1.00 0.00 H new ATOM 0 HA ALA A 72 -7.006 5.441 4.839 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -7.260 3.679 6.624 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -8.588 4.862 6.706 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -8.863 3.265 5.970 1.00 0.00 H new ATOM 1151 N LYS A 73 -7.792 2.980 2.987 1.00 0.00 N ATOM 1152 CA LYS A 73 -7.214 1.887 2.170 1.00 0.00 C ATOM 1153 C LYS A 73 -7.890 1.807 0.807 1.00 0.00 C ATOM 1154 O LYS A 73 -9.097 1.710 0.714 1.00 0.00 O ATOM 1155 CB LYS A 73 -7.433 0.565 2.918 1.00 0.00 C ATOM 1156 CG LYS A 73 -7.330 -0.600 1.932 1.00 0.00 C ATOM 1157 CD LYS A 73 -7.172 -1.906 2.714 1.00 0.00 C ATOM 1158 CE LYS A 73 -8.166 -1.920 3.877 1.00 0.00 C ATOM 1159 NZ LYS A 73 -9.543 -1.617 3.392 1.00 0.00 N ATOM 0 H LYS A 73 -8.744 3.256 2.746 1.00 0.00 H new ATOM 0 HA LYS A 73 -6.152 2.079 2.013 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -6.690 0.454 3.708 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -8.412 0.564 3.398 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -8.221 -0.642 1.306 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -6.479 -0.455 1.266 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -7.348 -2.759 2.059 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -6.153 -1.998 3.090 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -8.152 -2.895 4.363 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -7.868 -1.186 4.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -9.825 -0.670 3.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -9.559 -1.646 2.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -10.207 -2.323 3.769 1.00 0.00 H new ATOM 1173 N TYR A 74 -7.086 1.848 -0.228 1.00 0.00 N ATOM 1174 CA TYR A 74 -7.643 1.779 -1.604 1.00 0.00 C ATOM 1175 C TYR A 74 -7.414 0.398 -2.220 1.00 0.00 C ATOM 1176 O TYR A 74 -6.309 -0.119 -2.207 1.00 0.00 O ATOM 1177 CB TYR A 74 -6.915 2.825 -2.471 1.00 0.00 C ATOM 1178 CG TYR A 74 -7.140 4.235 -1.897 1.00 0.00 C ATOM 1179 CD1 TYR A 74 -6.659 4.574 -0.644 1.00 0.00 C ATOM 1180 CD2 TYR A 74 -7.810 5.195 -2.633 1.00 0.00 C ATOM 1181 CE1 TYR A 74 -6.846 5.845 -0.141 1.00 0.00 C ATOM 1182 CE2 TYR A 74 -7.994 6.468 -2.126 1.00 0.00 C ATOM 1183 CZ TYR A 74 -7.511 6.801 -0.876 1.00 0.00 C ATOM 1184 OH TYR A 74 -7.676 8.080 -0.373 1.00 0.00 O ATOM 0 H TYR A 74 -6.070 1.926 -0.174 1.00 0.00 H new ATOM 0 HA TYR A 74 -8.715 1.970 -1.562 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -5.848 2.603 -2.504 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -7.282 2.778 -3.496 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -6.133 3.837 -0.055 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -8.193 4.948 -3.612 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -6.467 6.093 0.839 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -8.519 7.208 -2.712 1.00 0.00 H new ATOM 0 HH TYR A 74 -8.166 8.626 -1.022 1.00 0.00 H new ATOM 1194 N ILE A 75 -8.472 -0.177 -2.744 1.00 0.00 N ATOM 1195 CA ILE A 75 -8.350 -1.524 -3.371 1.00 0.00 C ATOM 1196 C ILE A 75 -8.297 -1.394 -4.889 1.00 0.00 C ATOM 1197 O ILE A 75 -9.272 -1.015 -5.510 1.00 0.00 O ATOM 1198 CB ILE A 75 -9.581 -2.347 -2.990 1.00 0.00 C ATOM 1199 CG1 ILE A 75 -9.777 -2.311 -1.483 1.00 0.00 C ATOM 1200 CG2 ILE A 75 -9.347 -3.807 -3.418 1.00 0.00 C ATOM 1201 CD1 ILE A 75 -11.210 -2.731 -1.153 1.00 0.00 C ATOM 0 H ILE A 75 -9.408 0.229 -2.763 1.00 0.00 H new ATOM 0 HA ILE A 75 -7.437 -2.007 -3.022 1.00 0.00 H new ATOM 0 HB ILE A 75 -10.462 -1.936 -3.484 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -9.068 -2.980 -0.996 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -9.582 -1.308 -1.103 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -10.217 -4.408 -3.153 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -9.191 -3.850 -4.496 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -8.467 -4.199 -2.909 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -11.357 -2.707 -0.073 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -11.909 -2.044 -1.629 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -11.387 -3.742 -1.521 1.00 0.00 H new ATOM 1213 N LEU A 76 -7.160 -1.716 -5.458 1.00 0.00 N ATOM 1214 CA LEU A 76 -7.018 -1.617 -6.941 1.00 0.00 C ATOM 1215 C LEU A 76 -6.962 -2.990 -7.599 1.00 0.00 C ATOM 1216 O LEU A 76 -6.605 -3.963 -6.971 1.00 0.00 O ATOM 1217 CB LEU A 76 -5.689 -0.900 -7.243 1.00 0.00 C ATOM 1218 CG LEU A 76 -5.880 0.615 -7.143 1.00 0.00 C ATOM 1219 CD1 LEU A 76 -6.888 1.067 -8.202 1.00 0.00 C ATOM 1220 CD2 LEU A 76 -6.399 0.972 -5.746 1.00 0.00 C ATOM 0 H LEU A 76 -6.330 -2.041 -4.962 1.00 0.00 H new ATOM 0 HA LEU A 76 -7.881 -1.079 -7.333 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -4.922 -1.226 -6.540 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -5.341 -1.166 -8.241 1.00 0.00 H new ATOM 0 HG LEU A 76 -4.928 1.119 -7.311 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -7.027 2.146 -8.135 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -6.514 0.811 -9.193 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -7.842 0.567 -8.034 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -6.536 2.051 -5.673 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -7.353 0.473 -5.574 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -5.678 0.646 -4.996 1.00 0.00 H new ATOM 1232 N TYR A 77 -7.333 -3.032 -8.860 1.00 0.00 N ATOM 1233 CA TYR A 77 -7.311 -4.323 -9.605 1.00 0.00 C ATOM 1234 C TYR A 77 -6.288 -4.208 -10.719 1.00 0.00 C ATOM 1235 O TYR A 77 -6.083 -3.130 -11.241 1.00 0.00 O ATOM 1236 CB TYR A 77 -8.701 -4.573 -10.216 1.00 0.00 C ATOM 1237 CG TYR A 77 -9.636 -5.116 -9.135 1.00 0.00 C ATOM 1238 CD1 TYR A 77 -10.182 -4.270 -8.192 1.00 0.00 C ATOM 1239 CD2 TYR A 77 -9.947 -6.459 -9.089 1.00 0.00 C ATOM 1240 CE1 TYR A 77 -11.028 -4.761 -7.217 1.00 0.00 C ATOM 1241 CE2 TYR A 77 -10.791 -6.950 -8.115 1.00 0.00 C ATOM 1242 CZ TYR A 77 -11.338 -6.105 -7.171 1.00 0.00 C ATOM 1243 OH TYR A 77 -12.186 -6.597 -6.199 1.00 0.00 O ATOM 0 H TYR A 77 -7.649 -2.226 -9.400 1.00 0.00 H new ATOM 0 HA TYR A 77 -7.054 -5.146 -8.938 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -9.102 -3.647 -10.629 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -8.627 -5.283 -11.040 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -9.946 -3.216 -8.216 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -9.526 -7.132 -9.822 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -11.450 -4.088 -6.485 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -11.026 -8.004 -8.091 1.00 0.00 H new ATOM 0 HH TYR A 77 -12.294 -7.564 -6.318 1.00 0.00 H new ATOM 1253 N SER A 78 -5.652 -5.300 -11.073 1.00 0.00 N ATOM 1254 CA SER A 78 -4.642 -5.205 -12.163 1.00 0.00 C ATOM 1255 C SER A 78 -4.598 -6.441 -13.053 1.00 0.00 C ATOM 1256 O SER A 78 -5.039 -7.515 -12.678 1.00 0.00 O ATOM 1257 CB SER A 78 -3.261 -5.025 -11.513 1.00 0.00 C ATOM 1258 OG SER A 78 -3.072 -6.217 -10.765 1.00 0.00 O ATOM 0 H SER A 78 -5.785 -6.225 -10.666 1.00 0.00 H new ATOM 0 HA SER A 78 -4.919 -4.363 -12.797 1.00 0.00 H new ATOM 0 HB2 SER A 78 -2.481 -4.897 -12.263 1.00 0.00 H new ATOM 0 HB3 SER A 78 -3.234 -4.144 -10.872 1.00 0.00 H new ATOM 0 HG SER A 78 -2.203 -6.186 -10.314 1.00 0.00 H new ATOM 1264 N HIS A 79 -4.051 -6.238 -14.230 1.00 0.00 N ATOM 1265 CA HIS A 79 -3.929 -7.340 -15.219 1.00 0.00 C ATOM 1266 C HIS A 79 -2.475 -7.441 -15.683 1.00 0.00 C ATOM 1267 O HIS A 79 -1.768 -6.451 -15.687 1.00 0.00 O ATOM 1268 CB HIS A 79 -4.813 -7.007 -16.433 1.00 0.00 C ATOM 1269 CG HIS A 79 -6.039 -6.215 -15.970 1.00 0.00 C ATOM 1270 ND1 HIS A 79 -7.210 -6.645 -15.981 1.00 0.00 N ATOM 1271 CD2 HIS A 79 -6.124 -4.928 -15.469 1.00 0.00 C ATOM 1272 CE1 HIS A 79 -8.028 -5.780 -15.546 1.00 0.00 C ATOM 1273 NE2 HIS A 79 -7.426 -4.644 -15.192 1.00 0.00 N ATOM 0 H HIS A 79 -3.681 -5.341 -14.544 1.00 0.00 H new ATOM 0 HA HIS A 79 -4.239 -8.283 -14.768 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -4.246 -6.427 -17.161 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -5.126 -7.925 -16.931 1.00 0.00 H new ATOM 0 HD1 HIS A 79 -7.476 -7.577 -16.300 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -5.291 -4.257 -15.321 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -9.093 -5.944 -15.471 1.00 0.00 H new ATOM 1281 N ALA A 80 -2.051 -8.630 -16.062 1.00 0.00 N ATOM 1282 CA ALA A 80 -0.633 -8.794 -16.526 1.00 0.00 C ATOM 1283 C ALA A 80 -0.535 -9.501 -17.884 1.00 0.00 C ATOM 1284 O ALA A 80 -1.354 -10.334 -18.230 1.00 0.00 O ATOM 1285 CB ALA A 80 0.112 -9.641 -15.481 1.00 0.00 C ATOM 0 H ALA A 80 -2.616 -9.479 -16.070 1.00 0.00 H new ATOM 0 HA ALA A 80 -0.197 -7.801 -16.640 1.00 0.00 H new ATOM 0 HB1 ALA A 80 1.147 -9.776 -15.793 1.00 0.00 H new ATOM 0 HB2 ALA A 80 0.087 -9.133 -14.517 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -0.370 -10.614 -15.391 1.00 0.00 H new ATOM 1291 N VAL A 81 0.486 -9.145 -18.627 1.00 0.00 N ATOM 1292 CA VAL A 81 0.687 -9.769 -19.968 1.00 0.00 C ATOM 1293 C VAL A 81 2.166 -10.043 -20.191 1.00 0.00 C ATOM 1294 O VAL A 81 2.987 -9.192 -19.966 1.00 0.00 O ATOM 1295 CB VAL A 81 0.202 -8.790 -21.047 1.00 0.00 C ATOM 1296 CG1 VAL A 81 -1.207 -9.186 -21.496 1.00 0.00 C ATOM 1297 CG2 VAL A 81 0.167 -7.375 -20.466 1.00 0.00 C ATOM 0 H VAL A 81 1.185 -8.451 -18.362 1.00 0.00 H new ATOM 0 HA VAL A 81 0.129 -10.704 -20.020 1.00 0.00 H new ATOM 0 HB VAL A 81 0.880 -8.821 -21.900 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -1.553 -8.492 -22.262 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -1.188 -10.197 -21.904 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -1.884 -9.151 -20.642 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -0.177 -6.677 -21.229 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -0.514 -7.348 -19.616 1.00 0.00 H new ATOM 0 HG23 VAL A 81 1.167 -7.091 -20.139 1.00 0.00 H new ATOM 1307 N SER A 82 2.485 -11.219 -20.647 1.00 0.00 N ATOM 1308 CA SER A 82 3.923 -11.530 -20.875 1.00 0.00 C ATOM 1309 C SER A 82 4.507 -10.655 -21.974 1.00 0.00 C ATOM 1310 O SER A 82 3.938 -10.525 -23.038 1.00 0.00 O ATOM 1311 CB SER A 82 4.055 -12.994 -21.296 1.00 0.00 C ATOM 1312 OG SER A 82 3.279 -13.085 -22.479 1.00 0.00 O ATOM 0 H SER A 82 1.828 -11.967 -20.869 1.00 0.00 H new ATOM 0 HA SER A 82 4.466 -11.340 -19.949 1.00 0.00 H new ATOM 0 HB2 SER A 82 5.095 -13.264 -21.480 1.00 0.00 H new ATOM 0 HB3 SER A 82 3.683 -13.666 -20.523 1.00 0.00 H new ATOM 0 HG SER A 82 2.332 -13.173 -22.243 1.00 0.00 H new ATOM 1318 N SER A 83 5.644 -10.077 -21.698 1.00 0.00 N ATOM 1319 CA SER A 83 6.282 -9.207 -22.713 1.00 0.00 C ATOM 1320 C SER A 83 6.602 -9.995 -23.977 1.00 0.00 C ATOM 1321 O SER A 83 7.238 -9.488 -24.881 1.00 0.00 O ATOM 1322 CB SER A 83 7.591 -8.657 -22.128 1.00 0.00 C ATOM 1323 OG SER A 83 7.893 -7.536 -22.945 1.00 0.00 O ATOM 0 H SER A 83 6.152 -10.171 -20.819 1.00 0.00 H new ATOM 0 HA SER A 83 5.598 -8.398 -22.969 1.00 0.00 H new ATOM 0 HB2 SER A 83 7.470 -8.368 -21.084 1.00 0.00 H new ATOM 0 HB3 SER A 83 8.387 -9.401 -22.163 1.00 0.00 H new ATOM 0 HG SER A 83 7.675 -6.711 -22.463 1.00 0.00 H new ATOM 1329 N ASN A 84 6.154 -11.224 -24.021 1.00 0.00 N ATOM 1330 CA ASN A 84 6.425 -12.058 -25.221 1.00 0.00 C ATOM 1331 C ASN A 84 5.262 -11.983 -26.200 1.00 0.00 C ATOM 1332 O ASN A 84 5.411 -12.292 -27.365 1.00 0.00 O ATOM 1333 CB ASN A 84 6.617 -13.524 -24.775 1.00 0.00 C ATOM 1334 CG ASN A 84 5.291 -14.100 -24.264 1.00 0.00 C ATOM 1335 OD1 ASN A 84 4.256 -13.965 -24.885 1.00 0.00 O ATOM 1336 ND2 ASN A 84 5.282 -14.759 -23.137 1.00 0.00 N ATOM 0 H ASN A 84 5.617 -11.679 -23.283 1.00 0.00 H new ATOM 0 HA ASN A 84 7.323 -11.688 -25.716 1.00 0.00 H new ATOM 0 HB2 ASN A 84 6.983 -14.121 -25.610 1.00 0.00 H new ATOM 0 HB3 ASN A 84 7.372 -13.577 -23.990 1.00 0.00 H new ATOM 0 HD21 ASN A 84 4.411 -15.155 -22.785 1.00 0.00 H new ATOM 0 HD22 ASN A 84 6.146 -14.877 -22.609 1.00 0.00 H new ATOM 1343 N GLY A 85 4.120 -11.572 -25.700 1.00 0.00 N ATOM 1344 CA GLY A 85 2.916 -11.462 -26.581 1.00 0.00 C ATOM 1345 C GLY A 85 1.825 -12.436 -26.125 1.00 0.00 C ATOM 1346 O GLY A 85 0.866 -12.664 -26.837 1.00 0.00 O ATOM 0 H GLY A 85 3.971 -11.310 -24.726 1.00 0.00 H new ATOM 0 HA2 GLY A 85 2.533 -10.442 -26.558 1.00 0.00 H new ATOM 0 HA3 GLY A 85 3.193 -11.675 -27.613 1.00 0.00 H new ATOM 1350 N GLU A 86 1.998 -12.989 -24.943 1.00 0.00 N ATOM 1351 CA GLU A 86 0.987 -13.950 -24.418 1.00 0.00 C ATOM 1352 C GLU A 86 0.269 -13.370 -23.202 1.00 0.00 C ATOM 1353 O GLU A 86 0.889 -12.831 -22.304 1.00 0.00 O ATOM 1354 CB GLU A 86 1.712 -15.238 -23.994 1.00 0.00 C ATOM 1355 CG GLU A 86 2.011 -16.080 -25.236 1.00 0.00 C ATOM 1356 CD GLU A 86 2.742 -17.356 -24.814 1.00 0.00 C ATOM 1357 OE1 GLU A 86 2.841 -17.550 -23.614 1.00 0.00 O ATOM 1358 OE2 GLU A 86 3.161 -18.064 -25.715 1.00 0.00 O ATOM 0 H GLU A 86 2.792 -12.814 -24.328 1.00 0.00 H new ATOM 0 HA GLU A 86 0.252 -14.152 -25.197 1.00 0.00 H new ATOM 0 HB2 GLU A 86 2.638 -14.994 -23.474 1.00 0.00 H new ATOM 0 HB3 GLU A 86 1.095 -15.804 -23.296 1.00 0.00 H new ATOM 0 HG2 GLU A 86 1.084 -16.331 -25.752 1.00 0.00 H new ATOM 0 HG3 GLU A 86 2.622 -15.511 -25.937 1.00 0.00 H new ATOM 1365 N ALA A 87 -1.028 -13.489 -23.197 1.00 0.00 N ATOM 1366 CA ALA A 87 -1.801 -12.953 -22.054 1.00 0.00 C ATOM 1367 C ALA A 87 -1.570 -13.784 -20.801 1.00 0.00 C ATOM 1368 O ALA A 87 -1.717 -14.991 -20.818 1.00 0.00 O ATOM 1369 CB ALA A 87 -3.293 -13.007 -22.408 1.00 0.00 C ATOM 0 H ALA A 87 -1.580 -13.932 -23.932 1.00 0.00 H new ATOM 0 HA ALA A 87 -1.478 -11.930 -21.860 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -3.879 -12.615 -21.576 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -3.478 -12.405 -23.297 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -3.584 -14.039 -22.602 1.00 0.00 H new ATOM 1375 N VAL A 88 -1.214 -13.118 -19.734 1.00 0.00 N ATOM 1376 CA VAL A 88 -0.965 -13.835 -18.461 1.00 0.00 C ATOM 1377 C VAL A 88 -1.572 -13.047 -17.320 1.00 0.00 C ATOM 1378 O VAL A 88 -1.122 -13.117 -16.194 1.00 0.00 O ATOM 1379 CB VAL A 88 0.557 -13.946 -18.244 1.00 0.00 C ATOM 1380 CG1 VAL A 88 1.234 -14.324 -19.566 1.00 0.00 C ATOM 1381 CG2 VAL A 88 1.104 -12.599 -17.770 1.00 0.00 C ATOM 0 H VAL A 88 -1.086 -12.107 -19.695 1.00 0.00 H new ATOM 0 HA VAL A 88 -1.411 -14.829 -18.499 1.00 0.00 H new ATOM 0 HB VAL A 88 0.760 -14.710 -17.494 1.00 0.00 H new ATOM 0 HG11 VAL A 88 2.310 -14.403 -19.414 1.00 0.00 H new ATOM 0 HG12 VAL A 88 0.845 -15.281 -19.913 1.00 0.00 H new ATOM 0 HG13 VAL A 88 1.028 -13.557 -20.313 1.00 0.00 H new ATOM 0 HG21 VAL A 88 2.180 -12.677 -17.616 1.00 0.00 H new ATOM 0 HG22 VAL A 88 0.899 -11.838 -18.523 1.00 0.00 H new ATOM 0 HG23 VAL A 88 0.623 -12.321 -16.832 1.00 0.00 H new ATOM 1391 N GLU A 89 -2.596 -12.307 -17.641 1.00 0.00 N ATOM 1392 CA GLU A 89 -3.264 -11.495 -16.611 1.00 0.00 C ATOM 1393 C GLU A 89 -4.208 -12.325 -15.771 1.00 0.00 C ATOM 1394 O GLU A 89 -4.866 -13.221 -16.260 1.00 0.00 O ATOM 1395 CB GLU A 89 -4.087 -10.401 -17.312 1.00 0.00 C ATOM 1396 CG GLU A 89 -4.678 -10.966 -18.606 1.00 0.00 C ATOM 1397 CD GLU A 89 -5.698 -9.973 -19.169 1.00 0.00 C ATOM 1398 OE1 GLU A 89 -6.794 -9.963 -18.634 1.00 0.00 O ATOM 1399 OE2 GLU A 89 -5.323 -9.281 -20.101 1.00 0.00 O ATOM 0 H GLU A 89 -2.993 -12.235 -18.578 1.00 0.00 H new ATOM 0 HA GLU A 89 -2.498 -11.073 -15.960 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -4.885 -10.053 -16.656 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -3.456 -9.540 -17.532 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -3.886 -11.145 -19.334 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -5.156 -11.926 -18.413 1.00 0.00 H new ATOM 1406 N ASP A 90 -4.244 -12.004 -14.516 1.00 0.00 N ATOM 1407 CA ASP A 90 -5.125 -12.731 -13.587 1.00 0.00 C ATOM 1408 C ASP A 90 -5.764 -11.722 -12.643 1.00 0.00 C ATOM 1409 O ASP A 90 -5.171 -10.708 -12.337 1.00 0.00 O ATOM 1410 CB ASP A 90 -4.272 -13.717 -12.766 1.00 0.00 C ATOM 1411 CG ASP A 90 -3.885 -14.912 -13.642 1.00 0.00 C ATOM 1412 OD1 ASP A 90 -4.500 -15.039 -14.687 1.00 0.00 O ATOM 1413 OD2 ASP A 90 -2.997 -15.632 -13.214 1.00 0.00 O ATOM 0 H ASP A 90 -3.692 -11.258 -14.093 1.00 0.00 H new ATOM 0 HA ASP A 90 -5.895 -13.274 -14.136 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -3.376 -13.218 -12.396 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -4.830 -14.058 -11.894 1.00 0.00 H new ATOM 1418 N PRO A 91 -6.964 -12.004 -12.197 1.00 0.00 N ATOM 1419 CA PRO A 91 -7.649 -11.098 -11.293 1.00 0.00 C ATOM 1420 C PRO A 91 -6.772 -10.790 -10.075 1.00 0.00 C ATOM 1421 O PRO A 91 -6.866 -11.436 -9.048 1.00 0.00 O ATOM 1422 CB PRO A 91 -8.942 -11.854 -10.877 1.00 0.00 C ATOM 1423 CG PRO A 91 -8.934 -13.222 -11.632 1.00 0.00 C ATOM 1424 CD PRO A 91 -7.686 -13.236 -12.534 1.00 0.00 C ATOM 0 HA PRO A 91 -7.873 -10.138 -11.757 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -8.968 -12.009 -9.798 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -9.828 -11.275 -11.137 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -8.907 -14.051 -10.925 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -9.840 -13.339 -12.227 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -7.073 -14.117 -12.347 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -7.961 -13.257 -13.589 1.00 0.00 H new ATOM 1432 N MET A 92 -5.917 -9.804 -10.227 1.00 0.00 N ATOM 1433 CA MET A 92 -5.019 -9.427 -9.106 1.00 0.00 C ATOM 1434 C MET A 92 -5.542 -8.199 -8.381 1.00 0.00 C ATOM 1435 O MET A 92 -5.716 -7.150 -8.976 1.00 0.00 O ATOM 1436 CB MET A 92 -3.633 -9.101 -9.685 1.00 0.00 C ATOM 1437 CG MET A 92 -2.895 -10.406 -9.989 1.00 0.00 C ATOM 1438 SD MET A 92 -1.230 -10.276 -10.689 1.00 0.00 S ATOM 1439 CE MET A 92 -0.621 -8.974 -9.587 1.00 0.00 C ATOM 0 H MET A 92 -5.808 -9.251 -11.077 1.00 0.00 H new ATOM 0 HA MET A 92 -4.968 -10.255 -8.399 1.00 0.00 H new ATOM 0 HB2 MET A 92 -3.736 -8.507 -10.593 1.00 0.00 H new ATOM 0 HB3 MET A 92 -3.061 -8.503 -8.976 1.00 0.00 H new ATOM 0 HG2 MET A 92 -2.828 -10.979 -9.064 1.00 0.00 H new ATOM 0 HG3 MET A 92 -3.507 -10.986 -10.680 1.00 0.00 H new ATOM 0 HE1 MET A 92 0.468 -8.951 -9.618 1.00 0.00 H new ATOM 0 HE2 MET A 92 -1.013 -8.010 -9.911 1.00 0.00 H new ATOM 0 HE3 MET A 92 -0.951 -9.176 -8.568 1.00 0.00 H new ATOM 1449 N GLU A 93 -5.780 -8.354 -7.104 1.00 0.00 N ATOM 1450 CA GLU A 93 -6.292 -7.216 -6.302 1.00 0.00 C ATOM 1451 C GLU A 93 -5.190 -6.638 -5.425 1.00 0.00 C ATOM 1452 O GLU A 93 -4.731 -7.275 -4.499 1.00 0.00 O ATOM 1453 CB GLU A 93 -7.420 -7.734 -5.396 1.00 0.00 C ATOM 1454 CG GLU A 93 -7.357 -9.263 -5.343 1.00 0.00 C ATOM 1455 CD GLU A 93 -8.267 -9.768 -4.222 1.00 0.00 C ATOM 1456 OE1 GLU A 93 -9.465 -9.761 -4.452 1.00 0.00 O ATOM 1457 OE2 GLU A 93 -7.713 -10.130 -3.197 1.00 0.00 O ATOM 0 H GLU A 93 -5.640 -9.222 -6.587 1.00 0.00 H new ATOM 0 HA GLU A 93 -6.652 -6.437 -6.974 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -7.318 -7.318 -4.394 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -8.388 -7.410 -5.778 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -7.669 -9.685 -6.298 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -6.332 -9.590 -5.170 1.00 0.00 H new ATOM 1464 N ILE A 94 -4.782 -5.439 -5.734 1.00 0.00 N ATOM 1465 CA ILE A 94 -3.714 -4.807 -4.931 1.00 0.00 C ATOM 1466 C ILE A 94 -4.308 -4.037 -3.760 1.00 0.00 C ATOM 1467 O ILE A 94 -5.235 -3.259 -3.930 1.00 0.00 O ATOM 1468 CB ILE A 94 -2.956 -3.830 -5.828 1.00 0.00 C ATOM 1469 CG1 ILE A 94 -1.901 -4.579 -6.628 1.00 0.00 C ATOM 1470 CG2 ILE A 94 -2.252 -2.787 -4.937 1.00 0.00 C ATOM 1471 CD1 ILE A 94 -1.467 -3.714 -7.812 1.00 0.00 C ATOM 0 H ILE A 94 -5.143 -4.877 -6.505 1.00 0.00 H new ATOM 0 HA ILE A 94 -3.050 -5.580 -4.542 1.00 0.00 H new ATOM 0 HB ILE A 94 -3.654 -3.344 -6.510 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -1.043 -4.810 -5.996 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -2.301 -5.529 -6.982 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -1.706 -2.082 -5.564 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -2.996 -2.249 -4.349 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -1.556 -3.291 -4.267 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -0.710 -4.243 -8.391 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -2.329 -3.505 -8.446 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -1.052 -2.776 -7.444 1.00 0.00 H new ATOM 1483 N VAL A 95 -3.757 -4.260 -2.591 1.00 0.00 N ATOM 1484 CA VAL A 95 -4.268 -3.553 -1.387 1.00 0.00 C ATOM 1485 C VAL A 95 -3.343 -2.409 -1.004 1.00 0.00 C ATOM 1486 O VAL A 95 -2.238 -2.632 -0.548 1.00 0.00 O ATOM 1487 CB VAL A 95 -4.319 -4.559 -0.226 1.00 0.00 C ATOM 1488 CG1 VAL A 95 -5.258 -4.030 0.860 1.00 0.00 C ATOM 1489 CG2 VAL A 95 -4.850 -5.898 -0.742 1.00 0.00 C ATOM 0 H VAL A 95 -2.979 -4.899 -2.424 1.00 0.00 H new ATOM 0 HA VAL A 95 -5.257 -3.147 -1.600 1.00 0.00 H new ATOM 0 HB VAL A 95 -3.319 -4.694 0.187 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -5.297 -4.741 1.685 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -4.889 -3.071 1.224 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -6.258 -3.901 0.445 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -4.888 -6.615 0.078 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -5.851 -5.760 -1.150 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -4.189 -6.275 -1.523 1.00 0.00 H new ATOM 1499 N ILE A 96 -3.813 -1.198 -1.196 1.00 0.00 N ATOM 1500 CA ILE A 96 -2.973 -0.020 -0.851 1.00 0.00 C ATOM 1501 C ILE A 96 -3.446 0.632 0.442 1.00 0.00 C ATOM 1502 O ILE A 96 -4.499 1.235 0.484 1.00 0.00 O ATOM 1503 CB ILE A 96 -3.099 0.999 -1.980 1.00 0.00 C ATOM 1504 CG1 ILE A 96 -2.988 0.291 -3.324 1.00 0.00 C ATOM 1505 CG2 ILE A 96 -1.948 2.013 -1.861 1.00 0.00 C ATOM 1506 CD1 ILE A 96 -3.007 1.333 -4.444 1.00 0.00 C ATOM 0 H ILE A 96 -4.735 -0.982 -1.574 1.00 0.00 H new ATOM 0 HA ILE A 96 -1.942 -0.347 -0.719 1.00 0.00 H new ATOM 0 HB ILE A 96 -4.062 1.504 -1.910 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -2.067 -0.290 -3.367 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -3.814 -0.410 -3.449 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -2.026 2.748 -2.662 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -2.007 2.519 -0.898 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -0.994 1.491 -1.939 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -2.928 0.832 -5.409 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -3.940 1.895 -4.403 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -2.167 2.016 -4.320 1.00 0.00 H new ATOM 1518 N THR A 97 -2.660 0.500 1.476 1.00 0.00 N ATOM 1519 CA THR A 97 -3.055 1.110 2.766 1.00 0.00 C ATOM 1520 C THR A 97 -2.515 2.528 2.866 1.00 0.00 C ATOM 1521 O THR A 97 -1.480 2.847 2.306 1.00 0.00 O ATOM 1522 CB THR A 97 -2.480 0.264 3.913 1.00 0.00 C ATOM 1523 OG1 THR A 97 -3.166 0.692 5.072 1.00 0.00 O ATOM 1524 CG2 THR A 97 -1.009 0.617 4.187 1.00 0.00 C ATOM 0 H THR A 97 -1.771 0.000 1.479 1.00 0.00 H new ATOM 0 HA THR A 97 -4.143 1.143 2.831 1.00 0.00 H new ATOM 0 HB THR A 97 -2.575 -0.794 3.667 1.00 0.00 H new ATOM 0 HG1 THR A 97 -2.845 0.186 5.848 1.00 0.00 H new ATOM 0 HG21 THR A 97 -0.633 0.001 5.004 1.00 0.00 H new ATOM 0 HG22 THR A 97 -0.417 0.432 3.291 1.00 0.00 H new ATOM 0 HG23 THR A 97 -0.932 1.669 4.461 1.00 0.00 H new ATOM 1532 N VAL A 98 -3.223 3.359 3.575 1.00 0.00 N ATOM 1533 CA VAL A 98 -2.763 4.761 3.718 1.00 0.00 C ATOM 1534 C VAL A 98 -1.852 4.927 4.925 1.00 0.00 C ATOM 1535 O VAL A 98 -2.166 4.482 6.011 1.00 0.00 O ATOM 1536 CB VAL A 98 -3.994 5.649 3.900 1.00 0.00 C ATOM 1537 CG1 VAL A 98 -3.555 7.111 3.977 1.00 0.00 C ATOM 1538 CG2 VAL A 98 -4.913 5.463 2.699 1.00 0.00 C ATOM 0 H VAL A 98 -4.092 3.129 4.057 1.00 0.00 H new ATOM 0 HA VAL A 98 -2.199 5.040 2.828 1.00 0.00 H new ATOM 0 HB VAL A 98 -4.517 5.378 4.817 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -4.430 7.747 4.107 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -2.881 7.244 4.823 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -3.040 7.385 3.056 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -5.796 6.091 2.816 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -4.384 5.746 1.789 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -5.217 4.418 2.632 1.00 0.00 H new ATOM 1548 N THR A 99 -0.734 5.576 4.703 1.00 0.00 N ATOM 1549 CA THR A 99 0.234 5.798 5.810 1.00 0.00 C ATOM 1550 C THR A 99 0.276 7.269 6.202 1.00 0.00 C ATOM 1551 O THR A 99 0.182 8.140 5.361 1.00 0.00 O ATOM 1552 CB THR A 99 1.623 5.387 5.318 1.00 0.00 C ATOM 1553 OG1 THR A 99 1.432 4.164 4.637 1.00 0.00 O ATOM 1554 CG2 THR A 99 2.537 5.034 6.499 1.00 0.00 C ATOM 0 H THR A 99 -0.455 5.960 3.800 1.00 0.00 H new ATOM 0 HA THR A 99 -0.071 5.211 6.676 1.00 0.00 H new ATOM 0 HB THR A 99 2.058 6.192 4.725 1.00 0.00 H new ATOM 0 HG1 THR A 99 2.173 3.556 4.842 1.00 0.00 H new ATOM 0 HG21 THR A 99 3.519 4.745 6.125 1.00 0.00 H new ATOM 0 HG22 THR A 99 2.638 5.901 7.152 1.00 0.00 H new ATOM 0 HG23 THR A 99 2.104 4.206 7.059 1.00 0.00 H new