USER MOD reduce.3.24.130724 H: found=0, std=0, add=838, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 837 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 24 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 79 CYS SG : rot 52:sc= 1.06 USER MOD Set 1.3: A 83 HIS :FLIP no HD1:sc= -1.16 F(o=-3.1!,f=-0.1) USER MOD Set 2.1: A 32 GLN : amide:sc= -4.53! C(o=-4.3!,f=-5.1!) USER MOD Set 2.2: A 37 SER OG : rot -93:sc= 0.262 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc= -0.0431 X(o=-0.043,f=-0.41) USER MOD Single : A 6 ASN : amide:sc= -0.678 K(o=-0.68,f=-3.5!) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot -67:sc= 0.406 USER MOD Single : A 20 GLN : amide:sc= -3.55! C(o=-3.6!,f=-4.9!) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= 0.215 X(o=0.22,f=0) USER MOD Single : A 27 GLN : amide:sc= -3.62! C(o=-3.6!,f=-10!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0.0396 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -0.164 K(o=-0.16,f=-2.4!) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot -101:sc= -0.257 USER MOD Single : A 52 LYS NZ :NH3+ -170:sc= -0.0369 (180deg=-0.215) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 70:sc= -0.921! USER MOD Single : A 65 SER OG : rot -31:sc= -0.92! USER MOD Single : A 69 CYS SG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= -2.14! USER MOD Single : A 89 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.0308) USER MOD Single : A 90 ASN :FLIP amide:sc= 0.686 F(o=-0.029,f=0.69) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 GLN : amide:sc= -0.0617 X(o=-0.062,f=0) USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 71.234 -2.723 -13.236 1.00 0.00 N ATOM 2 CA GLY A 1 71.432 -1.298 -12.846 1.00 0.00 C ATOM 3 C GLY A 1 71.325 -1.165 -11.326 1.00 0.00 C ATOM 4 O GLY A 1 72.313 -1.196 -10.620 1.00 0.00 O ATOM 0 H1 GLY A 1 71.307 -2.813 -14.270 1.00 0.00 H new ATOM 0 H2 GLY A 1 71.964 -3.311 -12.785 1.00 0.00 H new ATOM 0 H3 GLY A 1 70.293 -3.040 -12.926 1.00 0.00 H new ATOM 0 HA2 GLY A 1 72.408 -0.950 -13.184 1.00 0.00 H new ATOM 0 HA3 GLY A 1 70.684 -0.670 -13.330 1.00 0.00 H new ATOM 10 N SER A 2 70.133 -1.017 -10.816 1.00 0.00 N ATOM 11 CA SER A 2 69.965 -0.881 -9.340 1.00 0.00 C ATOM 12 C SER A 2 69.046 -1.985 -8.809 1.00 0.00 C ATOM 13 O SER A 2 68.047 -1.720 -8.171 1.00 0.00 O ATOM 14 CB SER A 2 69.328 0.492 -9.139 1.00 0.00 C ATOM 15 OG SER A 2 70.038 1.456 -9.906 1.00 0.00 O ATOM 0 H SER A 2 69.269 -0.984 -11.356 1.00 0.00 H new ATOM 0 HA SER A 2 70.911 -0.972 -8.806 1.00 0.00 H new ATOM 0 HB2 SER A 2 68.281 0.468 -9.443 1.00 0.00 H new ATOM 0 HB3 SER A 2 69.348 0.764 -8.084 1.00 0.00 H new ATOM 0 HG SER A 2 69.631 2.338 -9.781 1.00 0.00 H new ATOM 21 N LEU A 3 69.377 -3.221 -9.068 1.00 0.00 N ATOM 22 CA LEU A 3 68.524 -4.342 -8.578 1.00 0.00 C ATOM 23 C LEU A 3 69.312 -5.219 -7.601 1.00 0.00 C ATOM 24 O LEU A 3 70.445 -4.931 -7.268 1.00 0.00 O ATOM 25 CB LEU A 3 68.154 -5.134 -9.832 1.00 0.00 C ATOM 26 CG LEU A 3 66.634 -5.146 -10.001 1.00 0.00 C ATOM 27 CD1 LEU A 3 66.251 -4.332 -11.238 1.00 0.00 C ATOM 28 CD2 LEU A 3 66.152 -6.588 -10.170 1.00 0.00 C ATOM 0 H LEU A 3 70.202 -3.503 -9.598 1.00 0.00 H new ATOM 0 HA LEU A 3 67.642 -3.988 -8.044 1.00 0.00 H new ATOM 0 HB2 LEU A 3 68.624 -4.687 -10.708 1.00 0.00 H new ATOM 0 HB3 LEU A 3 68.529 -6.154 -9.754 1.00 0.00 H new ATOM 0 HG LEU A 3 66.167 -4.707 -9.119 1.00 0.00 H new ATOM 0 HD11 LEU A 3 65.168 -4.341 -11.358 1.00 0.00 H new ATOM 0 HD12 LEU A 3 66.595 -3.305 -11.118 1.00 0.00 H new ATOM 0 HD13 LEU A 3 66.717 -4.770 -12.120 1.00 0.00 H new ATOM 0 HD21 LEU A 3 65.069 -6.598 -10.291 1.00 0.00 H new ATOM 0 HD22 LEU A 3 66.619 -7.027 -11.052 1.00 0.00 H new ATOM 0 HD23 LEU A 3 66.424 -7.168 -9.288 1.00 0.00 H new ATOM 40 N GLN A 4 68.721 -6.287 -7.139 1.00 0.00 N ATOM 41 CA GLN A 4 69.438 -7.180 -6.184 1.00 0.00 C ATOM 42 C GLN A 4 69.959 -6.373 -4.993 1.00 0.00 C ATOM 43 O GLN A 4 70.948 -5.676 -5.088 1.00 0.00 O ATOM 44 CB GLN A 4 70.602 -7.766 -6.985 1.00 0.00 C ATOM 45 CG GLN A 4 70.412 -9.277 -7.132 1.00 0.00 C ATOM 46 CD GLN A 4 70.886 -9.980 -5.859 1.00 0.00 C ATOM 47 OE1 GLN A 4 71.973 -9.721 -5.378 1.00 0.00 O ATOM 48 NE2 GLN A 4 70.115 -10.863 -5.289 1.00 0.00 N ATOM 0 H GLN A 4 67.774 -6.580 -7.381 1.00 0.00 H new ATOM 0 HA GLN A 4 68.789 -7.957 -5.781 1.00 0.00 H new ATOM 0 HB2 GLN A 4 70.653 -7.298 -7.968 1.00 0.00 H new ATOM 0 HB3 GLN A 4 71.546 -7.555 -6.482 1.00 0.00 H new ATOM 0 HG2 GLN A 4 69.362 -9.505 -7.316 1.00 0.00 H new ATOM 0 HG3 GLN A 4 70.973 -9.642 -7.992 1.00 0.00 H new ATOM 0 HE21 GLN A 4 69.204 -11.080 -5.692 1.00 0.00 H new ATOM 0 HE22 GLN A 4 70.423 -11.337 -4.440 1.00 0.00 H new ATOM 57 N ASP A 5 69.299 -6.464 -3.870 1.00 0.00 N ATOM 58 CA ASP A 5 69.757 -5.703 -2.672 1.00 0.00 C ATOM 59 C ASP A 5 69.391 -6.461 -1.395 1.00 0.00 C ATOM 60 O ASP A 5 68.232 -6.610 -1.060 1.00 0.00 O ATOM 61 CB ASP A 5 69.009 -4.370 -2.739 1.00 0.00 C ATOM 62 CG ASP A 5 69.986 -3.222 -2.477 1.00 0.00 C ATOM 63 OD1 ASP A 5 70.858 -3.013 -3.304 1.00 0.00 O ATOM 64 OD2 ASP A 5 69.847 -2.574 -1.454 1.00 0.00 O ATOM 0 H ASP A 5 68.463 -7.032 -3.730 1.00 0.00 H new ATOM 0 HA ASP A 5 70.838 -5.562 -2.659 1.00 0.00 H new ATOM 0 HB2 ASP A 5 68.545 -4.250 -3.718 1.00 0.00 H new ATOM 0 HB3 ASP A 5 68.206 -4.354 -2.002 1.00 0.00 H new ATOM 69 N ASN A 6 70.369 -6.944 -0.679 1.00 0.00 N ATOM 70 CA ASN A 6 70.073 -7.694 0.575 1.00 0.00 C ATOM 71 C ASN A 6 71.225 -7.542 1.571 1.00 0.00 C ATOM 72 O ASN A 6 71.973 -6.585 1.531 1.00 0.00 O ATOM 73 CB ASN A 6 69.928 -9.152 0.140 1.00 0.00 C ATOM 74 CG ASN A 6 71.272 -9.667 -0.375 1.00 0.00 C ATOM 75 OD1 ASN A 6 71.876 -9.065 -1.241 1.00 0.00 O ATOM 76 ND2 ASN A 6 71.770 -10.765 0.124 1.00 0.00 N ATOM 0 H ASN A 6 71.359 -6.852 -0.907 1.00 0.00 H new ATOM 0 HA ASN A 6 69.176 -7.326 1.073 1.00 0.00 H new ATOM 0 HB2 ASN A 6 69.591 -9.761 0.979 1.00 0.00 H new ATOM 0 HB3 ASN A 6 69.171 -9.236 -0.640 1.00 0.00 H new ATOM 0 HD21 ASN A 6 72.666 -11.118 -0.213 1.00 0.00 H new ATOM 0 HD22 ASN A 6 71.263 -11.271 0.851 1.00 0.00 H new ATOM 83 N SER A 7 71.376 -8.480 2.466 1.00 0.00 N ATOM 84 CA SER A 7 72.479 -8.391 3.465 1.00 0.00 C ATOM 85 C SER A 7 73.819 -8.725 2.804 1.00 0.00 C ATOM 86 O SER A 7 73.875 -9.135 1.661 1.00 0.00 O ATOM 87 CB SER A 7 72.135 -9.431 4.530 1.00 0.00 C ATOM 88 OG SER A 7 71.805 -8.770 5.744 1.00 0.00 O ATOM 0 H SER A 7 70.782 -9.305 2.549 1.00 0.00 H new ATOM 0 HA SER A 7 72.573 -7.391 3.887 1.00 0.00 H new ATOM 0 HB2 SER A 7 71.298 -10.045 4.198 1.00 0.00 H new ATOM 0 HB3 SER A 7 72.980 -10.102 4.686 1.00 0.00 H new ATOM 0 HG SER A 7 71.582 -9.435 6.428 1.00 0.00 H new ATOM 94 N SER A 8 74.900 -8.555 3.516 1.00 0.00 N ATOM 95 CA SER A 8 76.235 -8.863 2.929 1.00 0.00 C ATOM 96 C SER A 8 76.786 -10.164 3.519 1.00 0.00 C ATOM 97 O SER A 8 77.661 -10.791 2.956 1.00 0.00 O ATOM 98 CB SER A 8 77.121 -7.682 3.321 1.00 0.00 C ATOM 99 OG SER A 8 78.483 -8.088 3.295 1.00 0.00 O ATOM 0 H SER A 8 74.916 -8.216 4.478 1.00 0.00 H new ATOM 0 HA SER A 8 76.189 -8.999 1.848 1.00 0.00 H new ATOM 0 HB2 SER A 8 76.964 -6.851 2.634 1.00 0.00 H new ATOM 0 HB3 SER A 8 76.854 -7.327 4.316 1.00 0.00 H new ATOM 0 HG SER A 8 79.055 -7.332 3.545 1.00 0.00 H new ATOM 105 N TYR A 9 76.280 -10.577 4.649 1.00 0.00 N ATOM 106 CA TYR A 9 76.777 -11.837 5.273 1.00 0.00 C ATOM 107 C TYR A 9 78.268 -11.710 5.595 1.00 0.00 C ATOM 108 O TYR A 9 79.107 -12.195 4.863 1.00 0.00 O ATOM 109 CB TYR A 9 76.544 -12.919 4.218 1.00 0.00 C ATOM 110 CG TYR A 9 75.491 -13.883 4.709 1.00 0.00 C ATOM 111 CD1 TYR A 9 74.343 -13.398 5.348 1.00 0.00 C ATOM 112 CD2 TYR A 9 75.662 -15.259 4.526 1.00 0.00 C ATOM 113 CE1 TYR A 9 73.365 -14.293 5.802 1.00 0.00 C ATOM 114 CE2 TYR A 9 74.685 -16.154 4.982 1.00 0.00 C ATOM 115 CZ TYR A 9 73.537 -15.670 5.619 1.00 0.00 C ATOM 116 OH TYR A 9 72.574 -16.551 6.068 1.00 0.00 O ATOM 0 H TYR A 9 75.544 -10.097 5.167 1.00 0.00 H new ATOM 0 HA TYR A 9 76.268 -12.067 6.209 1.00 0.00 H new ATOM 0 HB2 TYR A 9 76.227 -12.464 3.280 1.00 0.00 H new ATOM 0 HB3 TYR A 9 77.474 -13.451 4.016 1.00 0.00 H new ATOM 0 HD1 TYR A 9 74.212 -12.336 5.491 1.00 0.00 H new ATOM 0 HD2 TYR A 9 76.548 -15.632 4.033 1.00 0.00 H new ATOM 0 HE1 TYR A 9 72.478 -13.920 6.293 1.00 0.00 H new ATOM 0 HE2 TYR A 9 74.818 -17.217 4.842 1.00 0.00 H new ATOM 0 HH TYR A 9 72.848 -17.469 5.861 1.00 0.00 H new ATOM 126 N PRO A 10 78.543 -11.052 6.687 1.00 0.00 N ATOM 127 CA PRO A 10 79.947 -10.846 7.123 1.00 0.00 C ATOM 128 C PRO A 10 80.647 -12.191 7.336 1.00 0.00 C ATOM 129 O PRO A 10 80.017 -13.227 7.402 1.00 0.00 O ATOM 130 CB PRO A 10 79.820 -10.090 8.447 1.00 0.00 C ATOM 131 CG PRO A 10 78.425 -9.543 8.468 1.00 0.00 C ATOM 132 CD PRO A 10 77.582 -10.442 7.607 1.00 0.00 C ATOM 0 HA PRO A 10 80.540 -10.304 6.386 1.00 0.00 H new ATOM 0 HB2 PRO A 10 79.994 -10.753 9.295 1.00 0.00 H new ATOM 0 HB3 PRO A 10 80.556 -9.289 8.513 1.00 0.00 H new ATOM 0 HG2 PRO A 10 78.039 -9.513 9.487 1.00 0.00 H new ATOM 0 HG3 PRO A 10 78.407 -8.521 8.090 1.00 0.00 H new ATOM 0 HD2 PRO A 10 77.065 -11.195 8.202 1.00 0.00 H new ATOM 0 HD3 PRO A 10 76.818 -9.880 7.071 1.00 0.00 H new ATOM 140 N ASP A 11 81.948 -12.181 7.444 1.00 0.00 N ATOM 141 CA ASP A 11 82.691 -13.457 7.656 1.00 0.00 C ATOM 142 C ASP A 11 82.389 -14.441 6.524 1.00 0.00 C ATOM 143 O ASP A 11 81.946 -15.549 6.755 1.00 0.00 O ATOM 144 CB ASP A 11 82.174 -13.998 8.990 1.00 0.00 C ATOM 145 CG ASP A 11 83.145 -15.051 9.524 1.00 0.00 C ATOM 146 OD1 ASP A 11 84.267 -15.092 9.046 1.00 0.00 O ATOM 147 OD2 ASP A 11 82.751 -15.799 10.404 1.00 0.00 O ATOM 0 H ASP A 11 82.529 -11.344 7.395 1.00 0.00 H new ATOM 0 HA ASP A 11 83.771 -13.309 7.666 1.00 0.00 H new ATOM 0 HB2 ASP A 11 82.071 -13.185 9.709 1.00 0.00 H new ATOM 0 HB3 ASP A 11 81.184 -14.434 8.858 1.00 0.00 H new ATOM 152 N GLU A 12 82.630 -14.047 5.304 1.00 0.00 N ATOM 153 CA GLU A 12 82.360 -14.964 4.159 1.00 0.00 C ATOM 154 C GLU A 12 83.004 -14.420 2.877 1.00 0.00 C ATOM 155 O GLU A 12 83.883 -15.044 2.317 1.00 0.00 O ATOM 156 CB GLU A 12 80.836 -15.005 4.030 1.00 0.00 C ATOM 157 CG GLU A 12 80.285 -16.150 4.882 1.00 0.00 C ATOM 158 CD GLU A 12 79.359 -17.020 4.031 1.00 0.00 C ATOM 159 OE1 GLU A 12 79.750 -17.365 2.928 1.00 0.00 O ATOM 160 OE2 GLU A 12 78.274 -17.328 4.497 1.00 0.00 O ATOM 0 H GLU A 12 83.002 -13.132 5.050 1.00 0.00 H new ATOM 0 HA GLU A 12 82.777 -15.958 4.320 1.00 0.00 H new ATOM 0 HB2 GLU A 12 80.407 -14.057 4.354 1.00 0.00 H new ATOM 0 HB3 GLU A 12 80.552 -15.144 2.987 1.00 0.00 H new ATOM 0 HG2 GLU A 12 81.105 -16.751 5.277 1.00 0.00 H new ATOM 0 HG3 GLU A 12 79.741 -15.751 5.738 1.00 0.00 H new ATOM 167 N PRO A 13 82.545 -13.273 2.452 1.00 0.00 N ATOM 168 CA PRO A 13 83.091 -12.648 1.220 1.00 0.00 C ATOM 169 C PRO A 13 84.554 -12.246 1.430 1.00 0.00 C ATOM 170 O PRO A 13 85.301 -12.073 0.488 1.00 0.00 O ATOM 171 CB PRO A 13 82.216 -11.413 1.010 1.00 0.00 C ATOM 172 CG PRO A 13 81.578 -11.144 2.336 1.00 0.00 C ATOM 173 CD PRO A 13 81.490 -12.460 3.063 1.00 0.00 C ATOM 0 HA PRO A 13 83.076 -13.320 0.362 1.00 0.00 H new ATOM 0 HB2 PRO A 13 82.812 -10.561 0.681 1.00 0.00 H new ATOM 0 HB3 PRO A 13 81.464 -11.591 0.242 1.00 0.00 H new ATOM 0 HG2 PRO A 13 82.167 -10.427 2.908 1.00 0.00 H new ATOM 0 HG3 PRO A 13 80.587 -10.710 2.205 1.00 0.00 H new ATOM 0 HD2 PRO A 13 81.651 -12.336 4.134 1.00 0.00 H new ATOM 0 HD3 PRO A 13 80.509 -12.920 2.939 1.00 0.00 H new ATOM 181 N TRP A 14 84.968 -12.094 2.659 1.00 0.00 N ATOM 182 CA TRP A 14 86.384 -11.700 2.926 1.00 0.00 C ATOM 183 C TRP A 14 87.314 -12.893 2.703 1.00 0.00 C ATOM 184 O TRP A 14 88.150 -12.889 1.821 1.00 0.00 O ATOM 185 CB TRP A 14 86.411 -11.267 4.395 1.00 0.00 C ATOM 186 CG TRP A 14 85.213 -10.422 4.698 1.00 0.00 C ATOM 187 CD1 TRP A 14 84.523 -10.445 5.862 1.00 0.00 C ATOM 188 CD2 TRP A 14 84.552 -9.436 3.850 1.00 0.00 C ATOM 189 NE1 TRP A 14 83.482 -9.539 5.784 1.00 0.00 N ATOM 190 CE2 TRP A 14 83.459 -8.891 4.564 1.00 0.00 C ATOM 191 CE3 TRP A 14 84.794 -8.965 2.547 1.00 0.00 C ATOM 192 CZ2 TRP A 14 82.633 -7.915 4.005 1.00 0.00 C ATOM 193 CZ3 TRP A 14 83.964 -7.983 1.981 1.00 0.00 C ATOM 194 CH2 TRP A 14 82.886 -7.459 2.709 1.00 0.00 C ATOM 0 H TRP A 14 84.390 -12.225 3.489 1.00 0.00 H new ATOM 0 HA TRP A 14 86.721 -10.904 2.262 1.00 0.00 H new ATOM 0 HB2 TRP A 14 86.421 -12.144 5.042 1.00 0.00 H new ATOM 0 HB3 TRP A 14 87.323 -10.708 4.602 1.00 0.00 H new ATOM 0 HD1 TRP A 14 84.749 -11.070 6.713 1.00 0.00 H new ATOM 0 HE1 TRP A 14 82.813 -9.370 6.535 1.00 0.00 H new ATOM 0 HE3 TRP A 14 85.623 -9.361 1.978 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 81.804 -7.515 4.570 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 84.157 -7.629 0.979 1.00 0.00 H new ATOM 0 HH2 TRP A 14 82.252 -6.704 2.268 1.00 0.00 H new ATOM 205 N ARG A 15 87.168 -13.917 3.494 1.00 0.00 N ATOM 206 CA ARG A 15 88.032 -15.122 3.336 1.00 0.00 C ATOM 207 C ARG A 15 89.486 -14.797 3.693 1.00 0.00 C ATOM 208 O ARG A 15 90.382 -14.964 2.891 1.00 0.00 O ATOM 209 CB ARG A 15 87.918 -15.499 1.860 1.00 0.00 C ATOM 210 CG ARG A 15 87.713 -17.010 1.734 1.00 0.00 C ATOM 211 CD ARG A 15 89.038 -17.730 1.991 1.00 0.00 C ATOM 212 NE ARG A 15 89.539 -18.109 0.641 1.00 0.00 N ATOM 213 CZ ARG A 15 90.757 -17.803 0.286 1.00 0.00 C ATOM 214 NH1 ARG A 15 91.003 -16.645 -0.265 1.00 0.00 N ATOM 215 NH2 ARG A 15 91.727 -18.652 0.482 1.00 0.00 N ATOM 0 H ARG A 15 86.484 -13.973 4.248 1.00 0.00 H new ATOM 0 HA ARG A 15 87.722 -15.934 3.994 1.00 0.00 H new ATOM 0 HB2 ARG A 15 87.083 -14.969 1.402 1.00 0.00 H new ATOM 0 HB3 ARG A 15 88.819 -15.198 1.326 1.00 0.00 H new ATOM 0 HG2 ARG A 15 86.960 -17.346 2.447 1.00 0.00 H new ATOM 0 HG3 ARG A 15 87.341 -17.255 0.739 1.00 0.00 H new ATOM 0 HD2 ARG A 15 89.746 -17.081 2.507 1.00 0.00 H new ATOM 0 HD3 ARG A 15 88.894 -18.609 2.620 1.00 0.00 H new ATOM 0 HE ARG A 15 88.930 -18.608 -0.007 1.00 0.00 H new ATOM 0 HH11 ARG A 15 90.244 -15.981 -0.417 1.00 0.00 H new ATOM 0 HH12 ARG A 15 91.954 -16.404 -0.543 1.00 0.00 H new ATOM 0 HH21 ARG A 15 91.534 -19.556 0.913 1.00 0.00 H new ATOM 0 HH22 ARG A 15 92.679 -18.412 0.204 1.00 0.00 H new ATOM 229 N ILE A 16 89.729 -14.345 4.893 1.00 0.00 N ATOM 230 CA ILE A 16 91.129 -14.025 5.295 1.00 0.00 C ATOM 231 C ILE A 16 91.463 -14.731 6.614 1.00 0.00 C ATOM 232 O ILE A 16 90.928 -15.778 6.918 1.00 0.00 O ATOM 233 CB ILE A 16 91.168 -12.498 5.442 1.00 0.00 C ATOM 234 CG1 ILE A 16 92.604 -12.010 5.237 1.00 0.00 C ATOM 235 CG2 ILE A 16 90.675 -12.077 6.831 1.00 0.00 C ATOM 236 CD1 ILE A 16 92.772 -11.506 3.803 1.00 0.00 C ATOM 0 H ILE A 16 89.022 -14.184 5.610 1.00 0.00 H new ATOM 0 HA ILE A 16 91.866 -14.364 4.567 1.00 0.00 H new ATOM 0 HB ILE A 16 90.513 -12.053 4.693 1.00 0.00 H new ATOM 0 HG12 ILE A 16 92.832 -11.212 5.943 1.00 0.00 H new ATOM 0 HG13 ILE A 16 93.306 -12.820 5.434 1.00 0.00 H new ATOM 0 HG21 ILE A 16 90.710 -10.991 6.916 1.00 0.00 H new ATOM 0 HG22 ILE A 16 89.650 -12.419 6.972 1.00 0.00 H new ATOM 0 HG23 ILE A 16 91.314 -12.521 7.594 1.00 0.00 H new ATOM 0 HD11 ILE A 16 93.795 -11.158 3.657 1.00 0.00 H new ATOM 0 HD12 ILE A 16 92.561 -12.317 3.105 1.00 0.00 H new ATOM 0 HD13 ILE A 16 92.080 -10.683 3.623 1.00 0.00 H new ATOM 248 N THR A 17 92.342 -14.172 7.399 1.00 0.00 N ATOM 249 CA THR A 17 92.700 -14.825 8.692 1.00 0.00 C ATOM 250 C THR A 17 93.713 -13.971 9.457 1.00 0.00 C ATOM 251 O THR A 17 94.899 -14.237 9.450 1.00 0.00 O ATOM 252 CB THR A 17 93.313 -16.171 8.301 1.00 0.00 C ATOM 253 OG1 THR A 17 93.935 -16.752 9.438 1.00 0.00 O ATOM 254 CG2 THR A 17 94.352 -15.961 7.199 1.00 0.00 C ATOM 0 H THR A 17 92.826 -13.296 7.204 1.00 0.00 H new ATOM 0 HA THR A 17 91.836 -14.947 9.345 1.00 0.00 H new ATOM 0 HB THR A 17 92.530 -16.835 7.935 1.00 0.00 H new ATOM 0 HG1 THR A 17 94.708 -16.210 9.700 1.00 0.00 H new ATOM 0 HG21 THR A 17 94.788 -16.921 6.922 1.00 0.00 H new ATOM 0 HG22 THR A 17 93.873 -15.515 6.328 1.00 0.00 H new ATOM 0 HG23 THR A 17 95.137 -15.297 7.561 1.00 0.00 H new ATOM 262 N GLU A 18 93.249 -12.952 10.126 1.00 0.00 N ATOM 263 CA GLU A 18 94.171 -12.080 10.907 1.00 0.00 C ATOM 264 C GLU A 18 95.199 -11.407 9.991 1.00 0.00 C ATOM 265 O GLU A 18 96.125 -10.768 10.452 1.00 0.00 O ATOM 266 CB GLU A 18 94.855 -13.027 11.888 1.00 0.00 C ATOM 267 CG GLU A 18 94.270 -12.824 13.285 1.00 0.00 C ATOM 268 CD GLU A 18 94.811 -13.903 14.226 1.00 0.00 C ATOM 269 OE1 GLU A 18 95.963 -14.274 14.070 1.00 0.00 O ATOM 270 OE2 GLU A 18 94.064 -14.339 15.086 1.00 0.00 O ATOM 0 H GLU A 18 92.266 -12.684 10.165 1.00 0.00 H new ATOM 0 HA GLU A 18 93.643 -11.271 11.412 1.00 0.00 H new ATOM 0 HB2 GLU A 18 94.715 -14.060 11.570 1.00 0.00 H new ATOM 0 HB3 GLU A 18 95.929 -12.840 11.901 1.00 0.00 H new ATOM 0 HG2 GLU A 18 94.532 -11.835 13.660 1.00 0.00 H new ATOM 0 HG3 GLU A 18 93.182 -12.873 13.246 1.00 0.00 H new ATOM 277 N GLU A 19 95.041 -11.526 8.702 1.00 0.00 N ATOM 278 CA GLU A 19 96.005 -10.876 7.775 1.00 0.00 C ATOM 279 C GLU A 19 95.473 -9.499 7.385 1.00 0.00 C ATOM 280 O GLU A 19 96.221 -8.568 7.158 1.00 0.00 O ATOM 281 CB GLU A 19 96.078 -11.798 6.557 1.00 0.00 C ATOM 282 CG GLU A 19 96.687 -13.139 6.968 1.00 0.00 C ATOM 283 CD GLU A 19 97.158 -13.890 5.721 1.00 0.00 C ATOM 284 OE1 GLU A 19 97.756 -13.260 4.865 1.00 0.00 O ATOM 285 OE2 GLU A 19 96.910 -15.083 5.644 1.00 0.00 O ATOM 0 H GLU A 19 94.287 -12.045 8.252 1.00 0.00 H new ATOM 0 HA GLU A 19 96.990 -10.733 8.220 1.00 0.00 H new ATOM 0 HB2 GLU A 19 95.081 -11.951 6.143 1.00 0.00 H new ATOM 0 HB3 GLU A 19 96.681 -11.337 5.774 1.00 0.00 H new ATOM 0 HG2 GLU A 19 97.525 -12.977 7.646 1.00 0.00 H new ATOM 0 HG3 GLU A 19 95.951 -13.735 7.508 1.00 0.00 H new ATOM 292 N GLN A 20 94.179 -9.365 7.323 1.00 0.00 N ATOM 293 CA GLN A 20 93.580 -8.055 6.970 1.00 0.00 C ATOM 294 C GLN A 20 92.692 -7.574 8.121 1.00 0.00 C ATOM 295 O GLN A 20 92.488 -6.393 8.309 1.00 0.00 O ATOM 296 CB GLN A 20 92.755 -8.315 5.705 1.00 0.00 C ATOM 297 CG GLN A 20 91.414 -8.956 6.074 1.00 0.00 C ATOM 298 CD GLN A 20 90.546 -9.077 4.820 1.00 0.00 C ATOM 299 OE1 GLN A 20 91.021 -8.891 3.718 1.00 0.00 O ATOM 300 NE2 GLN A 20 89.284 -9.386 4.943 1.00 0.00 N ATOM 0 H GLN A 20 93.509 -10.113 7.503 1.00 0.00 H new ATOM 0 HA GLN A 20 94.328 -7.281 6.798 1.00 0.00 H new ATOM 0 HB2 GLN A 20 92.585 -7.379 5.173 1.00 0.00 H new ATOM 0 HB3 GLN A 20 93.306 -8.970 5.030 1.00 0.00 H new ATOM 0 HG2 GLN A 20 91.577 -9.940 6.513 1.00 0.00 H new ATOM 0 HG3 GLN A 20 90.905 -8.353 6.825 1.00 0.00 H new ATOM 0 HE21 GLN A 20 88.885 -9.542 5.869 1.00 0.00 H new ATOM 0 HE22 GLN A 20 88.697 -9.471 4.113 1.00 0.00 H new ATOM 309 N ARG A 21 92.172 -8.486 8.900 1.00 0.00 N ATOM 310 CA ARG A 21 91.304 -8.083 10.043 1.00 0.00 C ATOM 311 C ARG A 21 92.146 -7.400 11.122 1.00 0.00 C ATOM 312 O ARG A 21 91.650 -6.617 11.907 1.00 0.00 O ATOM 313 CB ARG A 21 90.712 -9.390 10.569 1.00 0.00 C ATOM 314 CG ARG A 21 89.253 -9.165 10.967 1.00 0.00 C ATOM 315 CD ARG A 21 88.351 -9.370 9.748 1.00 0.00 C ATOM 316 NE ARG A 21 87.015 -9.708 10.313 1.00 0.00 N ATOM 317 CZ ARG A 21 86.072 -10.160 9.534 1.00 0.00 C ATOM 318 NH1 ARG A 21 85.499 -9.366 8.671 1.00 0.00 N ATOM 319 NH2 ARG A 21 85.700 -11.409 9.619 1.00 0.00 N ATOM 0 H ARG A 21 92.311 -9.491 8.794 1.00 0.00 H new ATOM 0 HA ARG A 21 90.528 -7.376 9.749 1.00 0.00 H new ATOM 0 HB2 ARG A 21 90.776 -10.164 9.805 1.00 0.00 H new ATOM 0 HB3 ARG A 21 91.284 -9.741 11.428 1.00 0.00 H new ATOM 0 HG2 ARG A 21 88.971 -9.857 11.761 1.00 0.00 H new ATOM 0 HG3 ARG A 21 89.124 -8.157 11.362 1.00 0.00 H new ATOM 0 HD2 ARG A 21 88.305 -8.470 9.135 1.00 0.00 H new ATOM 0 HD3 ARG A 21 88.725 -10.171 9.110 1.00 0.00 H new ATOM 0 HE ARG A 21 86.838 -9.586 11.310 1.00 0.00 H new ATOM 0 HH11 ARG A 21 85.789 -8.390 8.605 1.00 0.00 H new ATOM 0 HH12 ARG A 21 84.762 -9.721 8.062 1.00 0.00 H new ATOM 0 HH21 ARG A 21 86.147 -12.029 10.294 1.00 0.00 H new ATOM 0 HH22 ARG A 21 84.962 -11.764 9.010 1.00 0.00 H new ATOM 333 N GLU A 22 93.417 -7.690 11.164 1.00 0.00 N ATOM 334 CA GLU A 22 94.291 -7.055 12.189 1.00 0.00 C ATOM 335 C GLU A 22 94.515 -5.581 11.843 1.00 0.00 C ATOM 336 O GLU A 22 94.468 -4.718 12.696 1.00 0.00 O ATOM 337 CB GLU A 22 95.608 -7.829 12.123 1.00 0.00 C ATOM 338 CG GLU A 22 95.562 -9.000 13.106 1.00 0.00 C ATOM 339 CD GLU A 22 96.972 -9.557 13.306 1.00 0.00 C ATOM 340 OE1 GLU A 22 97.838 -8.792 13.698 1.00 0.00 O ATOM 341 OE2 GLU A 22 97.163 -10.737 13.062 1.00 0.00 O ATOM 0 H GLU A 22 93.888 -8.339 10.533 1.00 0.00 H new ATOM 0 HA GLU A 22 93.853 -7.087 13.186 1.00 0.00 H new ATOM 0 HB2 GLU A 22 95.776 -8.197 11.111 1.00 0.00 H new ATOM 0 HB3 GLU A 22 96.442 -7.170 12.365 1.00 0.00 H new ATOM 0 HG2 GLU A 22 95.151 -8.671 14.060 1.00 0.00 H new ATOM 0 HG3 GLU A 22 94.902 -9.780 12.727 1.00 0.00 H new ATOM 348 N TYR A 23 94.756 -5.287 10.594 1.00 0.00 N ATOM 349 CA TYR A 23 94.979 -3.868 10.195 1.00 0.00 C ATOM 350 C TYR A 23 93.647 -3.113 10.157 1.00 0.00 C ATOM 351 O TYR A 23 93.578 -1.940 10.470 1.00 0.00 O ATOM 352 CB TYR A 23 95.596 -3.941 8.797 1.00 0.00 C ATOM 353 CG TYR A 23 96.249 -2.621 8.469 1.00 0.00 C ATOM 354 CD1 TYR A 23 97.142 -2.036 9.374 1.00 0.00 C ATOM 355 CD2 TYR A 23 95.961 -1.982 7.257 1.00 0.00 C ATOM 356 CE1 TYR A 23 97.746 -0.811 9.069 1.00 0.00 C ATOM 357 CE2 TYR A 23 96.565 -0.755 6.951 1.00 0.00 C ATOM 358 CZ TYR A 23 97.458 -0.170 7.858 1.00 0.00 C ATOM 359 OH TYR A 23 98.054 1.037 7.557 1.00 0.00 O ATOM 0 H TYR A 23 94.808 -5.966 9.835 1.00 0.00 H new ATOM 0 HA TYR A 23 95.623 -3.338 10.897 1.00 0.00 H new ATOM 0 HB2 TYR A 23 96.332 -4.744 8.753 1.00 0.00 H new ATOM 0 HB3 TYR A 23 94.827 -4.172 8.060 1.00 0.00 H new ATOM 0 HD1 TYR A 23 97.365 -2.530 10.308 1.00 0.00 H new ATOM 0 HD2 TYR A 23 95.273 -2.435 6.558 1.00 0.00 H new ATOM 0 HE1 TYR A 23 98.435 -0.360 9.768 1.00 0.00 H new ATOM 0 HE2 TYR A 23 96.342 -0.261 6.017 1.00 0.00 H new ATOM 0 HH TYR A 23 97.746 1.344 6.679 1.00 0.00 H new ATOM 369 N TYR A 24 92.586 -3.776 9.781 1.00 0.00 N ATOM 370 CA TYR A 24 91.260 -3.095 9.731 1.00 0.00 C ATOM 371 C TYR A 24 90.749 -2.841 11.152 1.00 0.00 C ATOM 372 O TYR A 24 90.102 -1.848 11.421 1.00 0.00 O ATOM 373 CB TYR A 24 90.337 -4.070 8.993 1.00 0.00 C ATOM 374 CG TYR A 24 90.705 -4.118 7.527 1.00 0.00 C ATOM 375 CD1 TYR A 24 91.058 -2.941 6.851 1.00 0.00 C ATOM 376 CD2 TYR A 24 90.690 -5.340 6.840 1.00 0.00 C ATOM 377 CE1 TYR A 24 91.397 -2.989 5.493 1.00 0.00 C ATOM 378 CE2 TYR A 24 91.030 -5.385 5.483 1.00 0.00 C ATOM 379 CZ TYR A 24 91.384 -4.210 4.810 1.00 0.00 C ATOM 380 OH TYR A 24 91.719 -4.256 3.472 1.00 0.00 O ATOM 0 H TYR A 24 92.580 -4.758 9.507 1.00 0.00 H new ATOM 0 HA TYR A 24 91.309 -2.128 9.231 1.00 0.00 H new ATOM 0 HB2 TYR A 24 90.420 -5.065 9.430 1.00 0.00 H new ATOM 0 HB3 TYR A 24 89.299 -3.758 9.106 1.00 0.00 H new ATOM 0 HD1 TYR A 24 91.068 -1.998 7.377 1.00 0.00 H new ATOM 0 HD2 TYR A 24 90.416 -6.247 7.358 1.00 0.00 H new ATOM 0 HE1 TYR A 24 91.669 -2.083 4.972 1.00 0.00 H new ATOM 0 HE2 TYR A 24 91.019 -6.327 4.955 1.00 0.00 H new ATOM 0 HH TYR A 24 91.660 -5.180 3.151 1.00 0.00 H new ATOM 390 N VAL A 25 91.037 -3.730 12.062 1.00 0.00 N ATOM 391 CA VAL A 25 90.571 -3.542 13.466 1.00 0.00 C ATOM 392 C VAL A 25 91.487 -2.558 14.197 1.00 0.00 C ATOM 393 O VAL A 25 91.084 -1.894 15.131 1.00 0.00 O ATOM 394 CB VAL A 25 90.658 -4.929 14.102 1.00 0.00 C ATOM 395 CG1 VAL A 25 90.548 -4.803 15.623 1.00 0.00 C ATOM 396 CG2 VAL A 25 89.514 -5.802 13.582 1.00 0.00 C ATOM 0 H VAL A 25 91.576 -4.580 11.894 1.00 0.00 H new ATOM 0 HA VAL A 25 89.561 -3.135 13.516 1.00 0.00 H new ATOM 0 HB VAL A 25 91.613 -5.386 13.843 1.00 0.00 H new ATOM 0 HG11 VAL A 25 90.610 -5.793 16.076 1.00 0.00 H new ATOM 0 HG12 VAL A 25 91.362 -4.182 15.996 1.00 0.00 H new ATOM 0 HG13 VAL A 25 89.593 -4.345 15.882 1.00 0.00 H new ATOM 0 HG21 VAL A 25 89.576 -6.791 14.036 1.00 0.00 H new ATOM 0 HG22 VAL A 25 88.560 -5.343 13.841 1.00 0.00 H new ATOM 0 HG23 VAL A 25 89.590 -5.894 12.499 1.00 0.00 H new ATOM 406 N ASN A 26 92.720 -2.460 13.780 1.00 0.00 N ATOM 407 CA ASN A 26 93.662 -1.519 14.452 1.00 0.00 C ATOM 408 C ASN A 26 93.318 -0.073 14.082 1.00 0.00 C ATOM 409 O ASN A 26 93.653 0.856 14.790 1.00 0.00 O ATOM 410 CB ASN A 26 95.045 -1.895 13.920 1.00 0.00 C ATOM 411 CG ASN A 26 96.101 -1.605 14.988 1.00 0.00 C ATOM 412 OD1 ASN A 26 96.803 -2.496 15.422 1.00 0.00 O ATOM 413 ND2 ASN A 26 96.242 -0.387 15.434 1.00 0.00 N ATOM 0 H ASN A 26 93.116 -2.990 13.004 1.00 0.00 H new ATOM 0 HA ASN A 26 93.611 -1.589 15.539 1.00 0.00 H new ATOM 0 HB2 ASN A 26 95.067 -2.951 13.649 1.00 0.00 H new ATOM 0 HB3 ASN A 26 95.264 -1.329 13.014 1.00 0.00 H new ATOM 0 HD21 ASN A 26 96.942 -0.183 16.147 1.00 0.00 H new ATOM 0 HD22 ASN A 26 95.652 0.361 15.069 1.00 0.00 H new ATOM 420 N GLN A 27 92.648 0.123 12.979 1.00 0.00 N ATOM 421 CA GLN A 27 92.277 1.503 12.563 1.00 0.00 C ATOM 422 C GLN A 27 90.912 1.868 13.162 1.00 0.00 C ATOM 423 O GLN A 27 90.775 2.845 13.872 1.00 0.00 O ATOM 424 CB GLN A 27 92.229 1.435 11.030 1.00 0.00 C ATOM 425 CG GLN A 27 91.131 2.352 10.484 1.00 0.00 C ATOM 426 CD GLN A 27 91.459 3.804 10.829 1.00 0.00 C ATOM 427 OE1 GLN A 27 92.178 4.071 11.772 1.00 0.00 O ATOM 428 NE2 GLN A 27 90.956 4.762 10.100 1.00 0.00 N ATOM 0 H GLN A 27 92.341 -0.616 12.347 1.00 0.00 H new ATOM 0 HA GLN A 27 92.976 2.266 12.905 1.00 0.00 H new ATOM 0 HB2 GLN A 27 93.194 1.729 10.617 1.00 0.00 H new ATOM 0 HB3 GLN A 27 92.045 0.409 10.712 1.00 0.00 H new ATOM 0 HG2 GLN A 27 91.048 2.234 9.404 1.00 0.00 H new ATOM 0 HG3 GLN A 27 90.167 2.075 10.910 1.00 0.00 H new ATOM 0 HE21 GLN A 27 90.353 4.538 9.309 1.00 0.00 H new ATOM 0 HE22 GLN A 27 91.166 5.735 10.321 1.00 0.00 H new ATOM 437 N PHE A 28 89.908 1.084 12.885 1.00 0.00 N ATOM 438 CA PHE A 28 88.555 1.374 13.442 1.00 0.00 C ATOM 439 C PHE A 28 88.620 1.392 14.972 1.00 0.00 C ATOM 440 O PHE A 28 87.718 1.862 15.634 1.00 0.00 O ATOM 441 CB PHE A 28 87.677 0.222 12.935 1.00 0.00 C ATOM 442 CG PHE A 28 86.410 0.115 13.758 1.00 0.00 C ATOM 443 CD1 PHE A 28 86.459 -0.354 15.078 1.00 0.00 C ATOM 444 CD2 PHE A 28 85.180 0.469 13.190 1.00 0.00 C ATOM 445 CE1 PHE A 28 85.283 -0.464 15.828 1.00 0.00 C ATOM 446 CE2 PHE A 28 84.003 0.356 13.939 1.00 0.00 C ATOM 447 CZ PHE A 28 84.055 -0.110 15.258 1.00 0.00 C ATOM 0 H PHE A 28 89.965 0.253 12.296 1.00 0.00 H new ATOM 0 HA PHE A 28 88.163 2.344 13.135 1.00 0.00 H new ATOM 0 HB2 PHE A 28 87.424 0.384 11.887 1.00 0.00 H new ATOM 0 HB3 PHE A 28 88.231 -0.715 12.987 1.00 0.00 H new ATOM 0 HD1 PHE A 28 87.406 -0.631 15.517 1.00 0.00 H new ATOM 0 HD2 PHE A 28 85.139 0.830 12.173 1.00 0.00 H new ATOM 0 HE1 PHE A 28 85.323 -0.822 16.846 1.00 0.00 H new ATOM 0 HE2 PHE A 28 83.055 0.628 13.499 1.00 0.00 H new ATOM 0 HZ PHE A 28 83.147 -0.196 15.836 1.00 0.00 H new ATOM 457 N ARG A 29 89.683 0.882 15.535 1.00 0.00 N ATOM 458 CA ARG A 29 89.812 0.868 17.021 1.00 0.00 C ATOM 459 C ARG A 29 89.929 2.297 17.559 1.00 0.00 C ATOM 460 O ARG A 29 89.256 2.674 18.497 1.00 0.00 O ATOM 461 CB ARG A 29 91.098 0.089 17.296 1.00 0.00 C ATOM 462 CG ARG A 29 90.753 -1.272 17.903 1.00 0.00 C ATOM 463 CD ARG A 29 92.032 -1.946 18.404 1.00 0.00 C ATOM 464 NE ARG A 29 91.566 -3.017 19.327 1.00 0.00 N ATOM 465 CZ ARG A 29 92.095 -3.133 20.514 1.00 0.00 C ATOM 466 NH1 ARG A 29 92.271 -2.074 21.256 1.00 0.00 N ATOM 467 NH2 ARG A 29 92.448 -4.308 20.959 1.00 0.00 N ATOM 0 H ARG A 29 90.469 0.474 15.029 1.00 0.00 H new ATOM 0 HA ARG A 29 88.946 0.417 17.505 1.00 0.00 H new ATOM 0 HB2 ARG A 29 91.659 -0.046 16.371 1.00 0.00 H new ATOM 0 HB3 ARG A 29 91.737 0.651 17.977 1.00 0.00 H new ATOM 0 HG2 ARG A 29 90.049 -1.147 18.726 1.00 0.00 H new ATOM 0 HG3 ARG A 29 90.265 -1.901 17.158 1.00 0.00 H new ATOM 0 HD2 ARG A 29 92.609 -2.361 17.578 1.00 0.00 H new ATOM 0 HD3 ARG A 29 92.678 -1.234 18.919 1.00 0.00 H new ATOM 0 HE ARG A 29 90.832 -3.661 19.031 1.00 0.00 H new ATOM 0 HH11 ARG A 29 91.995 -1.156 20.908 1.00 0.00 H new ATOM 0 HH12 ARG A 29 92.685 -2.164 22.184 1.00 0.00 H new ATOM 0 HH21 ARG A 29 92.310 -5.136 20.379 1.00 0.00 H new ATOM 0 HH22 ARG A 29 92.862 -4.399 21.887 1.00 0.00 H new ATOM 481 N SER A 30 90.781 3.095 16.974 1.00 0.00 N ATOM 482 CA SER A 30 90.937 4.498 17.457 1.00 0.00 C ATOM 483 C SER A 30 89.561 5.144 17.638 1.00 0.00 C ATOM 484 O SER A 30 89.394 6.064 18.413 1.00 0.00 O ATOM 485 CB SER A 30 91.726 5.210 16.360 1.00 0.00 C ATOM 486 OG SER A 30 92.697 6.060 16.956 1.00 0.00 O ATOM 0 H SER A 30 91.374 2.838 16.185 1.00 0.00 H new ATOM 0 HA SER A 30 91.445 4.552 18.420 1.00 0.00 H new ATOM 0 HB2 SER A 30 92.213 4.480 15.714 1.00 0.00 H new ATOM 0 HB3 SER A 30 91.053 5.793 15.732 1.00 0.00 H new ATOM 0 HG SER A 30 93.206 6.517 16.255 1.00 0.00 H new ATOM 492 N LEU A 31 88.577 4.667 16.928 1.00 0.00 N ATOM 493 CA LEU A 31 87.213 5.248 17.054 1.00 0.00 C ATOM 494 C LEU A 31 86.334 4.351 17.931 1.00 0.00 C ATOM 495 O LEU A 31 85.383 4.801 18.539 1.00 0.00 O ATOM 496 CB LEU A 31 86.671 5.297 15.626 1.00 0.00 C ATOM 497 CG LEU A 31 87.743 5.853 14.688 1.00 0.00 C ATOM 498 CD1 LEU A 31 88.225 4.744 13.750 1.00 0.00 C ATOM 499 CD2 LEU A 31 87.152 6.998 13.862 1.00 0.00 C ATOM 0 H LEU A 31 88.660 3.897 16.264 1.00 0.00 H new ATOM 0 HA LEU A 31 87.225 6.233 17.520 1.00 0.00 H new ATOM 0 HB2 LEU A 31 86.375 4.299 15.304 1.00 0.00 H new ATOM 0 HB3 LEU A 31 85.779 5.922 15.586 1.00 0.00 H new ATOM 0 HG LEU A 31 88.584 6.223 15.275 1.00 0.00 H new ATOM 0 HD11 LEU A 31 88.989 5.140 13.081 1.00 0.00 H new ATOM 0 HD12 LEU A 31 88.645 3.927 14.337 1.00 0.00 H new ATOM 0 HD13 LEU A 31 87.385 4.374 13.162 1.00 0.00 H new ATOM 0 HD21 LEU A 31 87.915 7.395 13.193 1.00 0.00 H new ATOM 0 HD22 LEU A 31 86.312 6.627 13.275 1.00 0.00 H new ATOM 0 HD23 LEU A 31 86.808 7.788 14.529 1.00 0.00 H new ATOM 511 N GLN A 32 86.644 3.084 17.999 1.00 0.00 N ATOM 512 CA GLN A 32 85.827 2.160 18.833 1.00 0.00 C ATOM 513 C GLN A 32 86.703 1.039 19.400 1.00 0.00 C ATOM 514 O GLN A 32 87.086 0.130 18.692 1.00 0.00 O ATOM 515 CB GLN A 32 84.776 1.591 17.880 1.00 0.00 C ATOM 516 CG GLN A 32 83.436 2.289 18.124 1.00 0.00 C ATOM 517 CD GLN A 32 82.655 1.538 19.204 1.00 0.00 C ATOM 518 OE1 GLN A 32 81.507 1.190 19.011 1.00 0.00 O ATOM 519 NE2 GLN A 32 83.235 1.270 20.343 1.00 0.00 N ATOM 0 H GLN A 32 87.428 2.650 17.512 1.00 0.00 H new ATOM 0 HA GLN A 32 85.373 2.667 19.685 1.00 0.00 H new ATOM 0 HB2 GLN A 32 85.091 1.735 16.846 1.00 0.00 H new ATOM 0 HB3 GLN A 32 84.672 0.517 18.035 1.00 0.00 H new ATOM 0 HG2 GLN A 32 83.603 3.321 18.433 1.00 0.00 H new ATOM 0 HG3 GLN A 32 82.858 2.322 17.200 1.00 0.00 H new ATOM 0 HE21 GLN A 32 84.199 1.562 20.506 1.00 0.00 H new ATOM 0 HE22 GLN A 32 82.724 0.769 21.070 1.00 0.00 H new ATOM 528 N PRO A 33 86.988 1.146 20.669 1.00 0.00 N ATOM 529 CA PRO A 33 87.827 0.130 21.351 1.00 0.00 C ATOM 530 C PRO A 33 87.168 -1.246 21.262 1.00 0.00 C ATOM 531 O PRO A 33 87.719 -2.177 20.707 1.00 0.00 O ATOM 532 CB PRO A 33 87.890 0.607 22.803 1.00 0.00 C ATOM 533 CG PRO A 33 87.443 2.037 22.781 1.00 0.00 C ATOM 534 CD PRO A 33 86.559 2.212 21.576 1.00 0.00 C ATOM 0 HA PRO A 33 88.816 0.030 20.904 1.00 0.00 H new ATOM 0 HB2 PRO A 33 87.243 0.005 23.441 1.00 0.00 H new ATOM 0 HB3 PRO A 33 88.901 0.519 23.200 1.00 0.00 H new ATOM 0 HG2 PRO A 33 86.901 2.284 23.694 1.00 0.00 H new ATOM 0 HG3 PRO A 33 88.301 2.707 22.728 1.00 0.00 H new ATOM 0 HD2 PRO A 33 85.505 2.116 21.836 1.00 0.00 H new ATOM 0 HD3 PRO A 33 86.687 3.196 21.125 1.00 0.00 H new ATOM 542 N ASP A 34 85.992 -1.379 21.802 1.00 0.00 N ATOM 543 CA ASP A 34 85.290 -2.694 21.751 1.00 0.00 C ATOM 544 C ASP A 34 85.436 -3.315 20.358 1.00 0.00 C ATOM 545 O ASP A 34 85.138 -2.683 19.365 1.00 0.00 O ATOM 546 CB ASP A 34 83.823 -2.372 22.042 1.00 0.00 C ATOM 547 CG ASP A 34 83.429 -2.965 23.395 1.00 0.00 C ATOM 548 OD1 ASP A 34 83.719 -2.340 24.401 1.00 0.00 O ATOM 549 OD2 ASP A 34 82.843 -4.035 23.403 1.00 0.00 O ATOM 0 H ASP A 34 85.483 -0.634 22.278 1.00 0.00 H new ATOM 0 HA ASP A 34 85.699 -3.409 22.464 1.00 0.00 H new ATOM 0 HB2 ASP A 34 83.671 -1.293 22.048 1.00 0.00 H new ATOM 0 HB3 ASP A 34 83.187 -2.779 21.256 1.00 0.00 H new ATOM 554 N PRO A 35 85.897 -4.537 20.334 1.00 0.00 N ATOM 555 CA PRO A 35 86.089 -5.250 19.047 1.00 0.00 C ATOM 556 C PRO A 35 84.737 -5.531 18.384 1.00 0.00 C ATOM 557 O PRO A 35 84.621 -5.550 17.175 1.00 0.00 O ATOM 558 CB PRO A 35 86.779 -6.554 19.445 1.00 0.00 C ATOM 559 CG PRO A 35 86.501 -6.727 20.905 1.00 0.00 C ATOM 560 CD PRO A 35 86.279 -5.356 21.487 1.00 0.00 C ATOM 0 HA PRO A 35 86.670 -4.674 18.327 1.00 0.00 H new ATOM 0 HB2 PRO A 35 86.391 -7.394 18.870 1.00 0.00 H new ATOM 0 HB3 PRO A 35 87.851 -6.505 19.253 1.00 0.00 H new ATOM 0 HG2 PRO A 35 85.623 -7.355 21.057 1.00 0.00 H new ATOM 0 HG3 PRO A 35 87.337 -7.223 21.399 1.00 0.00 H new ATOM 0 HD2 PRO A 35 85.496 -5.367 22.245 1.00 0.00 H new ATOM 0 HD3 PRO A 35 87.181 -4.975 21.965 1.00 0.00 H new ATOM 568 N SER A 36 83.716 -5.749 19.166 1.00 0.00 N ATOM 569 CA SER A 36 82.374 -6.029 18.578 1.00 0.00 C ATOM 570 C SER A 36 81.450 -4.824 18.770 1.00 0.00 C ATOM 571 O SER A 36 80.466 -4.892 19.480 1.00 0.00 O ATOM 572 CB SER A 36 81.848 -7.238 19.351 1.00 0.00 C ATOM 573 OG SER A 36 82.089 -7.050 20.739 1.00 0.00 O ATOM 0 H SER A 36 83.752 -5.746 20.185 1.00 0.00 H new ATOM 0 HA SER A 36 82.424 -6.221 17.506 1.00 0.00 H new ATOM 0 HB2 SER A 36 80.781 -7.364 19.169 1.00 0.00 H new ATOM 0 HB3 SER A 36 82.340 -8.147 19.005 1.00 0.00 H new ATOM 0 HG SER A 36 81.751 -7.823 21.237 1.00 0.00 H new ATOM 579 N SER A 37 81.758 -3.721 18.145 1.00 0.00 N ATOM 580 CA SER A 37 80.896 -2.514 18.296 1.00 0.00 C ATOM 581 C SER A 37 80.788 -1.763 16.966 1.00 0.00 C ATOM 582 O SER A 37 81.628 -1.891 16.096 1.00 0.00 O ATOM 583 CB SER A 37 81.601 -1.653 19.342 1.00 0.00 C ATOM 584 OG SER A 37 82.864 -1.240 18.836 1.00 0.00 O ATOM 0 H SER A 37 82.568 -3.603 17.537 1.00 0.00 H new ATOM 0 HA SER A 37 79.880 -2.771 18.595 1.00 0.00 H new ATOM 0 HB2 SER A 37 80.991 -0.783 19.585 1.00 0.00 H new ATOM 0 HB3 SER A 37 81.733 -2.217 20.265 1.00 0.00 H new ATOM 0 HG SER A 37 83.555 -1.872 19.126 1.00 0.00 H new ATOM 590 N PHE A 38 79.758 -0.978 16.806 1.00 0.00 N ATOM 591 CA PHE A 38 79.587 -0.211 15.538 1.00 0.00 C ATOM 592 C PHE A 38 79.924 1.268 15.771 1.00 0.00 C ATOM 593 O PHE A 38 79.588 1.832 16.794 1.00 0.00 O ATOM 594 CB PHE A 38 78.105 -0.367 15.188 1.00 0.00 C ATOM 595 CG PHE A 38 77.263 0.221 16.295 1.00 0.00 C ATOM 596 CD1 PHE A 38 77.059 1.603 16.361 1.00 0.00 C ATOM 597 CD2 PHE A 38 76.687 -0.619 17.256 1.00 0.00 C ATOM 598 CE1 PHE A 38 76.277 2.148 17.387 1.00 0.00 C ATOM 599 CE2 PHE A 38 75.906 -0.075 18.283 1.00 0.00 C ATOM 600 CZ PHE A 38 75.701 1.308 18.348 1.00 0.00 C ATOM 0 H PHE A 38 79.025 -0.834 17.500 1.00 0.00 H new ATOM 0 HA PHE A 38 80.240 -0.569 14.742 1.00 0.00 H new ATOM 0 HB2 PHE A 38 77.888 0.135 14.245 1.00 0.00 H new ATOM 0 HB3 PHE A 38 77.861 -1.421 15.051 1.00 0.00 H new ATOM 0 HD1 PHE A 38 77.505 2.250 15.620 1.00 0.00 H new ATOM 0 HD2 PHE A 38 76.845 -1.686 17.205 1.00 0.00 H new ATOM 0 HE1 PHE A 38 76.118 3.215 17.437 1.00 0.00 H new ATOM 0 HE2 PHE A 38 75.462 -0.722 19.025 1.00 0.00 H new ATOM 0 HZ PHE A 38 75.098 1.728 19.140 1.00 0.00 H new ATOM 610 N ILE A 39 80.577 1.901 14.835 1.00 0.00 N ATOM 611 CA ILE A 39 80.923 3.342 15.012 1.00 0.00 C ATOM 612 C ILE A 39 79.789 4.218 14.475 1.00 0.00 C ATOM 613 O ILE A 39 78.971 3.780 13.692 1.00 0.00 O ATOM 614 CB ILE A 39 82.197 3.550 14.187 1.00 0.00 C ATOM 615 CG1 ILE A 39 83.407 3.066 14.989 1.00 0.00 C ATOM 616 CG2 ILE A 39 82.373 5.036 13.862 1.00 0.00 C ATOM 617 CD1 ILE A 39 84.648 3.081 14.095 1.00 0.00 C ATOM 0 H ILE A 39 80.886 1.485 13.957 1.00 0.00 H new ATOM 0 HA ILE A 39 81.070 3.609 16.059 1.00 0.00 H new ATOM 0 HB ILE A 39 82.116 2.984 13.259 1.00 0.00 H new ATOM 0 HG12 ILE A 39 83.562 3.707 15.856 1.00 0.00 H new ATOM 0 HG13 ILE A 39 83.228 2.059 15.365 1.00 0.00 H new ATOM 0 HG21 ILE A 39 83.281 5.175 13.275 1.00 0.00 H new ATOM 0 HG22 ILE A 39 81.514 5.388 13.290 1.00 0.00 H new ATOM 0 HG23 ILE A 39 82.449 5.605 14.789 1.00 0.00 H new ATOM 0 HD11 ILE A 39 85.511 2.736 14.665 1.00 0.00 H new ATOM 0 HD12 ILE A 39 84.490 2.421 13.242 1.00 0.00 H new ATOM 0 HD13 ILE A 39 84.829 4.096 13.741 1.00 0.00 H new ATOM 629 N SER A 40 79.736 5.452 14.889 1.00 0.00 N ATOM 630 CA SER A 40 78.657 6.352 14.399 1.00 0.00 C ATOM 631 C SER A 40 78.728 6.476 12.876 1.00 0.00 C ATOM 632 O SER A 40 79.593 5.911 12.236 1.00 0.00 O ATOM 633 CB SER A 40 78.929 7.701 15.063 1.00 0.00 C ATOM 634 OG SER A 40 78.157 7.804 16.252 1.00 0.00 O ATOM 0 H SER A 40 80.392 5.876 15.545 1.00 0.00 H new ATOM 0 HA SER A 40 77.663 5.976 14.642 1.00 0.00 H new ATOM 0 HB2 SER A 40 79.990 7.798 15.295 1.00 0.00 H new ATOM 0 HB3 SER A 40 78.677 8.513 14.381 1.00 0.00 H new ATOM 0 HG SER A 40 78.331 8.668 16.681 1.00 0.00 H new ATOM 640 N GLY A 41 77.824 7.211 12.288 1.00 0.00 N ATOM 641 CA GLY A 41 77.841 7.369 10.807 1.00 0.00 C ATOM 642 C GLY A 41 78.759 8.531 10.427 1.00 0.00 C ATOM 643 O GLY A 41 79.939 8.354 10.203 1.00 0.00 O ATOM 0 H GLY A 41 77.075 7.709 12.769 1.00 0.00 H new ATOM 0 HA2 GLY A 41 78.188 6.449 10.337 1.00 0.00 H new ATOM 0 HA3 GLY A 41 76.832 7.554 10.439 1.00 0.00 H new ATOM 647 N SER A 42 78.225 9.719 10.350 1.00 0.00 N ATOM 648 CA SER A 42 79.071 10.890 9.983 1.00 0.00 C ATOM 649 C SER A 42 80.399 10.839 10.740 1.00 0.00 C ATOM 650 O SER A 42 81.425 11.259 10.241 1.00 0.00 O ATOM 651 CB SER A 42 78.257 12.113 10.405 1.00 0.00 C ATOM 652 OG SER A 42 79.143 13.160 10.781 1.00 0.00 O ATOM 0 H SER A 42 77.242 9.929 10.525 1.00 0.00 H new ATOM 0 HA SER A 42 79.313 10.910 8.920 1.00 0.00 H new ATOM 0 HB2 SER A 42 77.617 12.439 9.585 1.00 0.00 H new ATOM 0 HB3 SER A 42 77.602 11.858 11.238 1.00 0.00 H new ATOM 0 HG SER A 42 78.624 13.946 11.051 1.00 0.00 H new ATOM 658 N VAL A 43 80.391 10.326 11.940 1.00 0.00 N ATOM 659 CA VAL A 43 81.658 10.247 12.721 1.00 0.00 C ATOM 660 C VAL A 43 82.713 9.479 11.923 1.00 0.00 C ATOM 661 O VAL A 43 83.824 9.937 11.738 1.00 0.00 O ATOM 662 CB VAL A 43 81.293 9.485 13.995 1.00 0.00 C ATOM 663 CG1 VAL A 43 82.571 9.013 14.690 1.00 0.00 C ATOM 664 CG2 VAL A 43 80.512 10.408 14.933 1.00 0.00 C ATOM 0 H VAL A 43 79.565 9.959 12.412 1.00 0.00 H new ATOM 0 HA VAL A 43 82.072 11.231 12.941 1.00 0.00 H new ATOM 0 HB VAL A 43 80.679 8.621 13.740 1.00 0.00 H new ATOM 0 HG11 VAL A 43 82.312 8.470 15.599 1.00 0.00 H new ATOM 0 HG12 VAL A 43 83.128 8.357 14.021 1.00 0.00 H new ATOM 0 HG13 VAL A 43 83.186 9.876 14.946 1.00 0.00 H new ATOM 0 HG21 VAL A 43 80.251 9.866 15.842 1.00 0.00 H new ATOM 0 HG22 VAL A 43 81.126 11.271 15.189 1.00 0.00 H new ATOM 0 HG23 VAL A 43 79.602 10.745 14.437 1.00 0.00 H new ATOM 674 N ALA A 44 82.374 8.313 11.447 1.00 0.00 N ATOM 675 CA ALA A 44 83.355 7.514 10.658 1.00 0.00 C ATOM 676 C ALA A 44 83.588 8.168 9.295 1.00 0.00 C ATOM 677 O ALA A 44 84.711 8.380 8.883 1.00 0.00 O ATOM 678 CB ALA A 44 82.704 6.140 10.495 1.00 0.00 C ATOM 0 H ALA A 44 81.460 7.878 11.570 1.00 0.00 H new ATOM 0 HA ALA A 44 84.327 7.446 11.147 1.00 0.00 H new ATOM 0 HB1 ALA A 44 83.365 5.490 9.923 1.00 0.00 H new ATOM 0 HB2 ALA A 44 82.526 5.703 11.478 1.00 0.00 H new ATOM 0 HB3 ALA A 44 81.756 6.247 9.968 1.00 0.00 H new ATOM 684 N LYS A 45 82.539 8.499 8.593 1.00 0.00 N ATOM 685 CA LYS A 45 82.713 9.148 7.263 1.00 0.00 C ATOM 686 C LYS A 45 83.540 10.423 7.420 1.00 0.00 C ATOM 687 O LYS A 45 84.093 10.946 6.473 1.00 0.00 O ATOM 688 CB LYS A 45 81.298 9.483 6.797 1.00 0.00 C ATOM 689 CG LYS A 45 81.134 9.050 5.343 1.00 0.00 C ATOM 690 CD LYS A 45 81.153 10.282 4.438 1.00 0.00 C ATOM 691 CE LYS A 45 79.843 11.057 4.601 1.00 0.00 C ATOM 692 NZ LYS A 45 80.085 12.365 3.929 1.00 0.00 N ATOM 0 H LYS A 45 81.572 8.349 8.882 1.00 0.00 H new ATOM 0 HA LYS A 45 83.232 8.508 6.549 1.00 0.00 H new ATOM 0 HB2 LYS A 45 80.566 8.976 7.425 1.00 0.00 H new ATOM 0 HB3 LYS A 45 81.114 10.553 6.893 1.00 0.00 H new ATOM 0 HG2 LYS A 45 81.937 8.368 5.063 1.00 0.00 H new ATOM 0 HG3 LYS A 45 80.197 8.508 5.217 1.00 0.00 H new ATOM 0 HD2 LYS A 45 81.999 10.920 4.693 1.00 0.00 H new ATOM 0 HD3 LYS A 45 81.282 9.981 3.399 1.00 0.00 H new ATOM 0 HE2 LYS A 45 79.010 10.525 4.142 1.00 0.00 H new ATOM 0 HE3 LYS A 45 79.593 11.194 5.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 79.231 12.954 3.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 80.879 12.851 4.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 80.314 12.204 2.927 1.00 0.00 H new ATOM 706 N ASN A 46 83.621 10.921 8.620 1.00 0.00 N ATOM 707 CA ASN A 46 84.404 12.163 8.873 1.00 0.00 C ATOM 708 C ASN A 46 85.867 11.963 8.471 1.00 0.00 C ATOM 709 O ASN A 46 86.407 12.698 7.667 1.00 0.00 O ATOM 710 CB ASN A 46 84.295 12.386 10.381 1.00 0.00 C ATOM 711 CG ASN A 46 84.723 13.814 10.721 1.00 0.00 C ATOM 712 OD1 ASN A 46 85.408 14.455 9.950 1.00 0.00 O ATOM 713 ND2 ASN A 46 84.345 14.344 11.852 1.00 0.00 N ATOM 0 H ASN A 46 83.175 10.518 9.444 1.00 0.00 H new ATOM 0 HA ASN A 46 84.032 13.011 8.299 1.00 0.00 H new ATOM 0 HB2 ASN A 46 83.270 12.214 10.711 1.00 0.00 H new ATOM 0 HB3 ASN A 46 84.924 11.671 10.911 1.00 0.00 H new ATOM 0 HD21 ASN A 46 84.625 15.296 12.088 1.00 0.00 H new ATOM 0 HD22 ASN A 46 83.770 13.806 12.500 1.00 0.00 H new ATOM 720 N PHE A 47 86.513 10.980 9.032 1.00 0.00 N ATOM 721 CA PHE A 47 87.942 10.738 8.690 1.00 0.00 C ATOM 722 C PHE A 47 88.051 9.922 7.395 1.00 0.00 C ATOM 723 O PHE A 47 89.078 9.904 6.749 1.00 0.00 O ATOM 724 CB PHE A 47 88.512 9.980 9.899 1.00 0.00 C ATOM 725 CG PHE A 47 88.363 8.489 9.711 1.00 0.00 C ATOM 726 CD1 PHE A 47 89.252 7.799 8.879 1.00 0.00 C ATOM 727 CD2 PHE A 47 87.340 7.799 10.370 1.00 0.00 C ATOM 728 CE1 PHE A 47 89.117 6.418 8.706 1.00 0.00 C ATOM 729 CE2 PHE A 47 87.205 6.419 10.198 1.00 0.00 C ATOM 730 CZ PHE A 47 88.094 5.727 9.365 1.00 0.00 C ATOM 0 H PHE A 47 86.114 10.334 9.712 1.00 0.00 H new ATOM 0 HA PHE A 47 88.495 11.659 8.506 1.00 0.00 H new ATOM 0 HB2 PHE A 47 89.564 10.232 10.030 1.00 0.00 H new ATOM 0 HB3 PHE A 47 87.995 10.291 10.807 1.00 0.00 H new ATOM 0 HD1 PHE A 47 90.042 8.333 8.371 1.00 0.00 H new ATOM 0 HD2 PHE A 47 86.655 8.333 11.012 1.00 0.00 H new ATOM 0 HE1 PHE A 47 89.802 5.885 8.064 1.00 0.00 H new ATOM 0 HE2 PHE A 47 86.416 5.886 10.707 1.00 0.00 H new ATOM 0 HZ PHE A 47 87.990 4.660 9.232 1.00 0.00 H new ATOM 740 N PHE A 48 86.997 9.254 7.012 1.00 0.00 N ATOM 741 CA PHE A 48 87.033 8.443 5.756 1.00 0.00 C ATOM 742 C PHE A 48 87.532 9.292 4.579 1.00 0.00 C ATOM 743 O PHE A 48 87.940 8.775 3.559 1.00 0.00 O ATOM 744 CB PHE A 48 85.580 8.024 5.519 1.00 0.00 C ATOM 745 CG PHE A 48 85.334 6.665 6.129 1.00 0.00 C ATOM 746 CD1 PHE A 48 85.822 6.370 7.406 1.00 0.00 C ATOM 747 CD2 PHE A 48 84.613 5.699 5.415 1.00 0.00 C ATOM 748 CE1 PHE A 48 85.592 5.109 7.970 1.00 0.00 C ATOM 749 CE2 PHE A 48 84.383 4.438 5.979 1.00 0.00 C ATOM 750 CZ PHE A 48 84.874 4.143 7.256 1.00 0.00 C ATOM 0 H PHE A 48 86.109 9.233 7.514 1.00 0.00 H new ATOM 0 HA PHE A 48 87.706 7.590 5.841 1.00 0.00 H new ATOM 0 HB2 PHE A 48 84.904 8.758 5.958 1.00 0.00 H new ATOM 0 HB3 PHE A 48 85.370 7.996 4.450 1.00 0.00 H new ATOM 0 HD1 PHE A 48 86.376 7.115 7.957 1.00 0.00 H new ATOM 0 HD2 PHE A 48 84.235 5.927 4.429 1.00 0.00 H new ATOM 0 HE1 PHE A 48 85.969 4.882 8.956 1.00 0.00 H new ATOM 0 HE2 PHE A 48 83.827 3.693 5.429 1.00 0.00 H new ATOM 0 HZ PHE A 48 84.699 3.170 7.690 1.00 0.00 H new ATOM 760 N THR A 49 87.489 10.591 4.709 1.00 0.00 N ATOM 761 CA THR A 49 87.944 11.477 3.595 1.00 0.00 C ATOM 762 C THR A 49 89.374 11.136 3.154 1.00 0.00 C ATOM 763 O THR A 49 89.821 11.564 2.109 1.00 0.00 O ATOM 764 CB THR A 49 87.887 12.892 4.172 1.00 0.00 C ATOM 765 OG1 THR A 49 88.121 13.834 3.134 1.00 0.00 O ATOM 766 CG2 THR A 49 88.955 13.047 5.255 1.00 0.00 C ATOM 0 H THR A 49 87.158 11.079 5.541 1.00 0.00 H new ATOM 0 HA THR A 49 87.319 11.360 2.710 1.00 0.00 H new ATOM 0 HB THR A 49 86.904 13.068 4.608 1.00 0.00 H new ATOM 0 HG1 THR A 49 88.083 14.742 3.501 1.00 0.00 H new ATOM 0 HG21 THR A 49 88.913 14.056 5.665 1.00 0.00 H new ATOM 0 HG22 THR A 49 88.774 12.324 6.050 1.00 0.00 H new ATOM 0 HG23 THR A 49 89.940 12.872 4.822 1.00 0.00 H new ATOM 774 N LYS A 50 90.098 10.379 3.933 1.00 0.00 N ATOM 775 CA LYS A 50 91.495 10.033 3.538 1.00 0.00 C ATOM 776 C LYS A 50 91.496 8.900 2.507 1.00 0.00 C ATOM 777 O LYS A 50 91.800 7.765 2.815 1.00 0.00 O ATOM 778 CB LYS A 50 92.179 9.584 4.830 1.00 0.00 C ATOM 779 CG LYS A 50 91.414 8.407 5.439 1.00 0.00 C ATOM 780 CD LYS A 50 92.407 7.418 6.052 1.00 0.00 C ATOM 781 CE LYS A 50 92.965 8.001 7.353 1.00 0.00 C ATOM 782 NZ LYS A 50 94.355 7.472 7.447 1.00 0.00 N ATOM 0 H LYS A 50 89.786 9.987 4.821 1.00 0.00 H new ATOM 0 HA LYS A 50 92.009 10.877 3.078 1.00 0.00 H new ATOM 0 HB2 LYS A 50 93.209 9.293 4.625 1.00 0.00 H new ATOM 0 HB3 LYS A 50 92.217 10.411 5.539 1.00 0.00 H new ATOM 0 HG2 LYS A 50 90.722 8.764 6.202 1.00 0.00 H new ATOM 0 HG3 LYS A 50 90.817 7.912 4.673 1.00 0.00 H new ATOM 0 HD2 LYS A 50 91.915 6.466 6.249 1.00 0.00 H new ATOM 0 HD3 LYS A 50 93.218 7.219 5.352 1.00 0.00 H new ATOM 0 HE2 LYS A 50 92.958 9.091 7.332 1.00 0.00 H new ATOM 0 HE3 LYS A 50 92.367 7.695 8.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 94.804 7.828 8.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 94.330 6.433 7.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 94.902 7.785 6.620 1.00 0.00 H new ATOM 796 N SER A 51 91.162 9.201 1.282 1.00 0.00 N ATOM 797 CA SER A 51 91.146 8.142 0.232 1.00 0.00 C ATOM 798 C SER A 51 90.863 8.760 -1.139 1.00 0.00 C ATOM 799 O SER A 51 91.563 8.512 -2.100 1.00 0.00 O ATOM 800 CB SER A 51 90.013 7.202 0.640 1.00 0.00 C ATOM 801 OG SER A 51 89.083 7.911 1.449 1.00 0.00 O ATOM 0 H SER A 51 90.900 10.133 0.962 1.00 0.00 H new ATOM 0 HA SER A 51 92.101 7.622 0.154 1.00 0.00 H new ATOM 0 HB2 SER A 51 89.515 6.808 -0.246 1.00 0.00 H new ATOM 0 HB3 SER A 51 90.412 6.348 1.188 1.00 0.00 H new ATOM 0 HG SER A 51 89.232 7.687 2.391 1.00 0.00 H new ATOM 807 N LYS A 52 89.840 9.563 -1.234 1.00 0.00 N ATOM 808 CA LYS A 52 89.508 10.198 -2.541 1.00 0.00 C ATOM 809 C LYS A 52 90.372 11.444 -2.759 1.00 0.00 C ATOM 810 O LYS A 52 90.318 12.074 -3.796 1.00 0.00 O ATOM 811 CB LYS A 52 88.033 10.583 -2.425 1.00 0.00 C ATOM 812 CG LYS A 52 87.824 11.433 -1.170 1.00 0.00 C ATOM 813 CD LYS A 52 87.231 12.787 -1.562 1.00 0.00 C ATOM 814 CE LYS A 52 87.790 13.876 -0.644 1.00 0.00 C ATOM 815 NZ LYS A 52 87.119 15.130 -1.084 1.00 0.00 N ATOM 0 H LYS A 52 89.219 9.807 -0.463 1.00 0.00 H new ATOM 0 HA LYS A 52 89.693 9.533 -3.384 1.00 0.00 H new ATOM 0 HB2 LYS A 52 87.721 11.138 -3.309 1.00 0.00 H new ATOM 0 HB3 LYS A 52 87.415 9.686 -2.377 1.00 0.00 H new ATOM 0 HG2 LYS A 52 87.157 10.919 -0.477 1.00 0.00 H new ATOM 0 HG3 LYS A 52 88.773 11.576 -0.653 1.00 0.00 H new ATOM 0 HD2 LYS A 52 87.471 13.014 -2.601 1.00 0.00 H new ATOM 0 HD3 LYS A 52 86.144 12.755 -1.486 1.00 0.00 H new ATOM 0 HE2 LYS A 52 87.575 13.659 0.402 1.00 0.00 H new ATOM 0 HE3 LYS A 52 88.873 13.954 -0.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 87.570 15.945 -0.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 87.205 15.226 -2.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 86.113 15.096 -0.822 1.00 0.00 H new ATOM 829 N LEU A 53 91.165 11.802 -1.787 1.00 0.00 N ATOM 830 CA LEU A 53 92.032 13.008 -1.937 1.00 0.00 C ATOM 831 C LEU A 53 91.226 14.170 -2.529 1.00 0.00 C ATOM 832 O LEU A 53 90.592 14.922 -1.816 1.00 0.00 O ATOM 833 CB LEU A 53 93.146 12.579 -2.892 1.00 0.00 C ATOM 834 CG LEU A 53 94.120 11.657 -2.160 1.00 0.00 C ATOM 835 CD1 LEU A 53 93.981 10.234 -2.705 1.00 0.00 C ATOM 836 CD2 LEU A 53 95.553 12.148 -2.381 1.00 0.00 C ATOM 0 H LEU A 53 91.251 11.313 -0.896 1.00 0.00 H new ATOM 0 HA LEU A 53 92.428 13.355 -0.982 1.00 0.00 H new ATOM 0 HB2 LEU A 53 92.722 12.066 -3.755 1.00 0.00 H new ATOM 0 HB3 LEU A 53 93.673 13.455 -3.270 1.00 0.00 H new ATOM 0 HG LEU A 53 93.894 11.663 -1.094 1.00 0.00 H new ATOM 0 HD11 LEU A 53 94.675 9.575 -2.184 1.00 0.00 H new ATOM 0 HD12 LEU A 53 92.961 9.883 -2.549 1.00 0.00 H new ATOM 0 HD13 LEU A 53 94.207 10.229 -3.771 1.00 0.00 H new ATOM 0 HD21 LEU A 53 96.248 11.490 -1.859 1.00 0.00 H new ATOM 0 HD22 LEU A 53 95.779 12.142 -3.447 1.00 0.00 H new ATOM 0 HD23 LEU A 53 95.654 13.162 -1.995 1.00 0.00 H new ATOM 848 N SER A 54 91.245 14.321 -3.826 1.00 0.00 N ATOM 849 CA SER A 54 90.481 15.433 -4.457 1.00 0.00 C ATOM 850 C SER A 54 89.161 14.911 -5.028 1.00 0.00 C ATOM 851 O SER A 54 88.844 13.743 -4.918 1.00 0.00 O ATOM 852 CB SER A 54 91.384 15.947 -5.575 1.00 0.00 C ATOM 853 OG SER A 54 92.072 17.109 -5.127 1.00 0.00 O ATOM 0 H SER A 54 91.756 13.722 -4.475 1.00 0.00 H new ATOM 0 HA SER A 54 90.228 16.218 -3.744 1.00 0.00 H new ATOM 0 HB2 SER A 54 92.098 15.176 -5.864 1.00 0.00 H new ATOM 0 HB3 SER A 54 90.791 16.180 -6.459 1.00 0.00 H new ATOM 0 HG SER A 54 92.654 17.441 -5.842 1.00 0.00 H new ATOM 859 N ILE A 55 88.388 15.767 -5.639 1.00 0.00 N ATOM 860 CA ILE A 55 87.089 15.318 -6.218 1.00 0.00 C ATOM 861 C ILE A 55 86.230 14.653 -5.139 1.00 0.00 C ATOM 862 O ILE A 55 86.352 13.470 -4.889 1.00 0.00 O ATOM 863 CB ILE A 55 87.467 14.306 -7.300 1.00 0.00 C ATOM 864 CG1 ILE A 55 88.631 14.854 -8.130 1.00 0.00 C ATOM 865 CG2 ILE A 55 86.264 14.062 -8.213 1.00 0.00 C ATOM 866 CD1 ILE A 55 89.867 13.978 -7.914 1.00 0.00 C ATOM 0 H ILE A 55 88.599 16.757 -5.762 1.00 0.00 H new ATOM 0 HA ILE A 55 86.508 16.148 -6.620 1.00 0.00 H new ATOM 0 HB ILE A 55 87.765 13.369 -6.830 1.00 0.00 H new ATOM 0 HG12 ILE A 55 88.363 14.870 -9.186 1.00 0.00 H new ATOM 0 HG13 ILE A 55 88.846 15.883 -7.840 1.00 0.00 H new ATOM 0 HG21 ILE A 55 86.533 13.341 -8.985 1.00 0.00 H new ATOM 0 HG22 ILE A 55 85.434 13.671 -7.624 1.00 0.00 H new ATOM 0 HG23 ILE A 55 85.967 15.000 -8.681 1.00 0.00 H new ATOM 0 HD11 ILE A 55 90.696 14.367 -8.504 1.00 0.00 H new ATOM 0 HD12 ILE A 55 90.138 13.985 -6.858 1.00 0.00 H new ATOM 0 HD13 ILE A 55 89.648 12.957 -8.225 1.00 0.00 H new ATOM 878 N PRO A 56 85.387 15.444 -4.533 1.00 0.00 N ATOM 879 CA PRO A 56 84.494 14.929 -3.465 1.00 0.00 C ATOM 880 C PRO A 56 83.612 13.798 -4.004 1.00 0.00 C ATOM 881 O PRO A 56 82.653 14.030 -4.714 1.00 0.00 O ATOM 882 CB PRO A 56 83.643 16.140 -3.075 1.00 0.00 C ATOM 883 CG PRO A 56 84.373 17.335 -3.608 1.00 0.00 C ATOM 884 CD PRO A 56 85.191 16.873 -4.783 1.00 0.00 C ATOM 0 HA PRO A 56 85.043 14.515 -2.619 1.00 0.00 H new ATOM 0 HB2 PRO A 56 82.642 16.070 -3.502 1.00 0.00 H new ATOM 0 HB3 PRO A 56 83.524 16.204 -1.993 1.00 0.00 H new ATOM 0 HG2 PRO A 56 83.670 18.111 -3.911 1.00 0.00 H new ATOM 0 HG3 PRO A 56 85.014 17.768 -2.840 1.00 0.00 H new ATOM 0 HD2 PRO A 56 84.671 17.046 -5.725 1.00 0.00 H new ATOM 0 HD3 PRO A 56 86.142 17.403 -4.841 1.00 0.00 H new ATOM 892 N GLU A 57 83.928 12.577 -3.672 1.00 0.00 N ATOM 893 CA GLU A 57 83.107 11.431 -4.163 1.00 0.00 C ATOM 894 C GLU A 57 82.889 10.418 -3.036 1.00 0.00 C ATOM 895 O GLU A 57 82.857 9.223 -3.259 1.00 0.00 O ATOM 896 CB GLU A 57 83.931 10.810 -5.293 1.00 0.00 C ATOM 897 CG GLU A 57 83.624 11.532 -6.607 1.00 0.00 C ATOM 898 CD GLU A 57 83.291 10.504 -7.688 1.00 0.00 C ATOM 899 OE1 GLU A 57 84.111 9.633 -7.924 1.00 0.00 O ATOM 900 OE2 GLU A 57 82.219 10.604 -8.263 1.00 0.00 O ATOM 0 H GLU A 57 84.720 12.322 -3.082 1.00 0.00 H new ATOM 0 HA GLU A 57 82.120 11.744 -4.504 1.00 0.00 H new ATOM 0 HB2 GLU A 57 84.994 10.884 -5.065 1.00 0.00 H new ATOM 0 HB3 GLU A 57 83.698 9.749 -5.386 1.00 0.00 H new ATOM 0 HG2 GLU A 57 82.787 12.217 -6.471 1.00 0.00 H new ATOM 0 HG3 GLU A 57 84.481 12.133 -6.913 1.00 0.00 H new ATOM 907 N LEU A 58 82.740 10.887 -1.828 1.00 0.00 N ATOM 908 CA LEU A 58 82.525 9.954 -0.683 1.00 0.00 C ATOM 909 C LEU A 58 81.084 9.439 -0.683 1.00 0.00 C ATOM 910 O LEU A 58 80.681 8.693 0.187 1.00 0.00 O ATOM 911 CB LEU A 58 82.789 10.796 0.566 1.00 0.00 C ATOM 912 CG LEU A 58 84.294 10.852 0.838 1.00 0.00 C ATOM 913 CD1 LEU A 58 84.574 11.872 1.944 1.00 0.00 C ATOM 914 CD2 LEU A 58 84.783 9.471 1.284 1.00 0.00 C ATOM 0 H LEU A 58 82.758 11.877 -1.583 1.00 0.00 H new ATOM 0 HA LEU A 58 83.175 9.081 -0.735 1.00 0.00 H new ATOM 0 HB2 LEU A 58 82.396 11.803 0.428 1.00 0.00 H new ATOM 0 HB3 LEU A 58 82.270 10.367 1.423 1.00 0.00 H new ATOM 0 HG LEU A 58 84.817 11.148 -0.071 1.00 0.00 H new ATOM 0 HD11 LEU A 58 85.646 11.913 2.139 1.00 0.00 H new ATOM 0 HD12 LEU A 58 84.225 12.855 1.629 1.00 0.00 H new ATOM 0 HD13 LEU A 58 84.051 11.575 2.853 1.00 0.00 H new ATOM 0 HD21 LEU A 58 85.855 9.510 1.478 1.00 0.00 H new ATOM 0 HD22 LEU A 58 84.260 9.176 2.194 1.00 0.00 H new ATOM 0 HD23 LEU A 58 84.583 8.743 0.498 1.00 0.00 H new ATOM 926 N SER A 59 80.303 9.835 -1.651 1.00 0.00 N ATOM 927 CA SER A 59 78.886 9.371 -1.702 1.00 0.00 C ATOM 928 C SER A 59 78.825 7.865 -1.976 1.00 0.00 C ATOM 929 O SER A 59 78.041 7.151 -1.383 1.00 0.00 O ATOM 930 CB SER A 59 78.255 10.153 -2.853 1.00 0.00 C ATOM 931 OG SER A 59 76.859 9.886 -2.893 1.00 0.00 O ATOM 0 H SER A 59 80.584 10.459 -2.408 1.00 0.00 H new ATOM 0 HA SER A 59 78.365 9.539 -0.760 1.00 0.00 H new ATOM 0 HB2 SER A 59 78.429 11.221 -2.721 1.00 0.00 H new ATOM 0 HB3 SER A 59 78.718 9.869 -3.798 1.00 0.00 H new ATOM 0 HG SER A 59 76.451 10.387 -3.630 1.00 0.00 H new ATOM 937 N TYR A 60 79.643 7.375 -2.868 1.00 0.00 N ATOM 938 CA TYR A 60 79.617 5.915 -3.168 1.00 0.00 C ATOM 939 C TYR A 60 80.399 5.139 -2.101 1.00 0.00 C ATOM 940 O TYR A 60 80.071 4.017 -1.773 1.00 0.00 O ATOM 941 CB TYR A 60 80.261 5.776 -4.556 1.00 0.00 C ATOM 942 CG TYR A 60 81.767 5.708 -4.439 1.00 0.00 C ATOM 943 CD1 TYR A 60 82.396 4.472 -4.248 1.00 0.00 C ATOM 944 CD2 TYR A 60 82.533 6.877 -4.528 1.00 0.00 C ATOM 945 CE1 TYR A 60 83.790 4.404 -4.145 1.00 0.00 C ATOM 946 CE2 TYR A 60 83.928 6.808 -4.426 1.00 0.00 C ATOM 947 CZ TYR A 60 84.556 5.571 -4.234 1.00 0.00 C ATOM 948 OH TYR A 60 85.930 5.502 -4.134 1.00 0.00 O ATOM 0 H TYR A 60 80.324 7.918 -3.399 1.00 0.00 H new ATOM 0 HA TYR A 60 78.607 5.506 -3.161 1.00 0.00 H new ATOM 0 HB2 TYR A 60 79.888 4.878 -5.048 1.00 0.00 H new ATOM 0 HB3 TYR A 60 79.977 6.623 -5.181 1.00 0.00 H new ATOM 0 HD1 TYR A 60 81.805 3.570 -4.180 1.00 0.00 H new ATOM 0 HD2 TYR A 60 82.048 7.831 -4.675 1.00 0.00 H new ATOM 0 HE1 TYR A 60 84.274 3.450 -3.997 1.00 0.00 H new ATOM 0 HE2 TYR A 60 84.520 7.709 -4.495 1.00 0.00 H new ATOM 0 HH TYR A 60 86.295 5.068 -4.933 1.00 0.00 H new ATOM 958 N ILE A 61 81.423 5.733 -1.550 1.00 0.00 N ATOM 959 CA ILE A 61 82.209 5.028 -0.498 1.00 0.00 C ATOM 960 C ILE A 61 81.312 4.729 0.705 1.00 0.00 C ATOM 961 O ILE A 61 81.409 3.689 1.326 1.00 0.00 O ATOM 962 CB ILE A 61 83.318 6.004 -0.105 1.00 0.00 C ATOM 963 CG1 ILE A 61 84.382 6.036 -1.204 1.00 0.00 C ATOM 964 CG2 ILE A 61 83.956 5.549 1.210 1.00 0.00 C ATOM 965 CD1 ILE A 61 84.953 4.632 -1.404 1.00 0.00 C ATOM 0 H ILE A 61 81.748 6.672 -1.782 1.00 0.00 H new ATOM 0 HA ILE A 61 82.612 4.078 -0.848 1.00 0.00 H new ATOM 0 HB ILE A 61 82.896 7.001 0.022 1.00 0.00 H new ATOM 0 HG12 ILE A 61 83.947 6.399 -2.135 1.00 0.00 H new ATOM 0 HG13 ILE A 61 85.179 6.729 -0.933 1.00 0.00 H new ATOM 0 HG21 ILE A 61 84.747 6.245 1.491 1.00 0.00 H new ATOM 0 HG22 ILE A 61 83.198 5.526 1.993 1.00 0.00 H new ATOM 0 HG23 ILE A 61 84.378 4.552 1.084 1.00 0.00 H new ATOM 0 HD11 ILE A 61 85.711 4.656 -2.187 1.00 0.00 H new ATOM 0 HD12 ILE A 61 85.403 4.286 -0.473 1.00 0.00 H new ATOM 0 HD13 ILE A 61 84.152 3.952 -1.694 1.00 0.00 H new ATOM 977 N TRP A 62 80.437 5.639 1.033 1.00 0.00 N ATOM 978 CA TRP A 62 79.528 5.420 2.191 1.00 0.00 C ATOM 979 C TRP A 62 78.312 4.597 1.756 1.00 0.00 C ATOM 980 O TRP A 62 77.821 3.762 2.489 1.00 0.00 O ATOM 981 CB TRP A 62 79.103 6.823 2.621 1.00 0.00 C ATOM 982 CG TRP A 62 77.940 6.730 3.554 1.00 0.00 C ATOM 983 CD1 TRP A 62 76.640 6.785 3.182 1.00 0.00 C ATOM 984 CD2 TRP A 62 77.947 6.570 5.000 1.00 0.00 C ATOM 985 NE1 TRP A 62 75.849 6.667 4.311 1.00 0.00 N ATOM 986 CE2 TRP A 62 76.609 6.532 5.457 1.00 0.00 C ATOM 987 CE3 TRP A 62 78.977 6.454 5.951 1.00 0.00 C ATOM 988 CZ2 TRP A 62 76.302 6.386 6.809 1.00 0.00 C ATOM 989 CZ3 TRP A 62 78.672 6.305 7.313 1.00 0.00 C ATOM 990 CH2 TRP A 62 77.337 6.272 7.741 1.00 0.00 C ATOM 0 H TRP A 62 80.313 6.527 0.547 1.00 0.00 H new ATOM 0 HA TRP A 62 80.007 4.871 3.002 1.00 0.00 H new ATOM 0 HB2 TRP A 62 79.934 7.332 3.109 1.00 0.00 H new ATOM 0 HB3 TRP A 62 78.835 7.417 1.747 1.00 0.00 H new ATOM 0 HD1 TRP A 62 76.279 6.902 2.171 1.00 0.00 H new ATOM 0 HE1 TRP A 62 74.829 6.678 4.299 1.00 0.00 H new ATOM 0 HE3 TRP A 62 80.008 6.480 5.631 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 75.272 6.361 7.134 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 79.470 6.215 8.035 1.00 0.00 H new ATOM 0 HH2 TRP A 62 77.109 6.159 8.791 1.00 0.00 H new ATOM 1001 N GLU A 63 77.825 4.828 0.568 1.00 0.00 N ATOM 1002 CA GLU A 63 76.644 4.058 0.084 1.00 0.00 C ATOM 1003 C GLU A 63 76.865 2.562 0.314 1.00 0.00 C ATOM 1004 O GLU A 63 75.943 1.824 0.601 1.00 0.00 O ATOM 1005 CB GLU A 63 76.557 4.363 -1.411 1.00 0.00 C ATOM 1006 CG GLU A 63 75.088 4.472 -1.826 1.00 0.00 C ATOM 1007 CD GLU A 63 74.481 3.071 -1.932 1.00 0.00 C ATOM 1008 OE1 GLU A 63 75.241 2.117 -1.935 1.00 0.00 O ATOM 1009 OE2 GLU A 63 73.268 2.977 -2.008 1.00 0.00 O ATOM 0 H GLU A 63 78.193 5.516 -0.088 1.00 0.00 H new ATOM 0 HA GLU A 63 75.728 4.331 0.608 1.00 0.00 H new ATOM 0 HB2 GLU A 63 77.079 5.294 -1.634 1.00 0.00 H new ATOM 0 HB3 GLU A 63 77.050 3.577 -1.983 1.00 0.00 H new ATOM 0 HG2 GLU A 63 74.536 5.064 -1.096 1.00 0.00 H new ATOM 0 HG3 GLU A 63 75.007 4.988 -2.783 1.00 0.00 H new ATOM 1016 N LEU A 64 78.083 2.109 0.193 1.00 0.00 N ATOM 1017 CA LEU A 64 78.366 0.661 0.408 1.00 0.00 C ATOM 1018 C LEU A 64 78.724 0.408 1.875 1.00 0.00 C ATOM 1019 O LEU A 64 78.460 -0.648 2.416 1.00 0.00 O ATOM 1020 CB LEU A 64 79.558 0.350 -0.498 1.00 0.00 C ATOM 1021 CG LEU A 64 79.250 0.810 -1.924 1.00 0.00 C ATOM 1022 CD1 LEU A 64 80.506 1.418 -2.548 1.00 0.00 C ATOM 1023 CD2 LEU A 64 78.797 -0.391 -2.758 1.00 0.00 C ATOM 0 H LEU A 64 78.895 2.679 -0.045 1.00 0.00 H new ATOM 0 HA LEU A 64 77.506 0.032 0.177 1.00 0.00 H new ATOM 0 HB2 LEU A 64 80.451 0.853 -0.127 1.00 0.00 H new ATOM 0 HB3 LEU A 64 79.767 -0.720 -0.487 1.00 0.00 H new ATOM 0 HG LEU A 64 78.458 1.559 -1.901 1.00 0.00 H new ATOM 0 HD11 LEU A 64 80.286 1.745 -3.564 1.00 0.00 H new ATOM 0 HD12 LEU A 64 80.830 2.272 -1.954 1.00 0.00 H new ATOM 0 HD13 LEU A 64 81.299 0.670 -2.572 1.00 0.00 H new ATOM 0 HD21 LEU A 64 78.577 -0.066 -3.775 1.00 0.00 H new ATOM 0 HD22 LEU A 64 79.590 -1.139 -2.780 1.00 0.00 H new ATOM 0 HD23 LEU A 64 77.901 -0.825 -2.314 1.00 0.00 H new ATOM 1035 N SER A 65 79.324 1.369 2.522 1.00 0.00 N ATOM 1036 CA SER A 65 79.698 1.183 3.953 1.00 0.00 C ATOM 1037 C SER A 65 78.451 0.874 4.787 1.00 0.00 C ATOM 1038 O SER A 65 78.525 0.242 5.821 1.00 0.00 O ATOM 1039 CB SER A 65 80.311 2.518 4.377 1.00 0.00 C ATOM 1040 OG SER A 65 79.290 3.504 4.437 1.00 0.00 O ATOM 0 H SER A 65 79.571 2.274 2.122 1.00 0.00 H new ATOM 0 HA SER A 65 80.390 0.353 4.097 1.00 0.00 H new ATOM 0 HB2 SER A 65 80.793 2.418 5.349 1.00 0.00 H new ATOM 0 HB3 SER A 65 81.082 2.819 3.668 1.00 0.00 H new ATOM 0 HG SER A 65 78.600 3.301 3.772 1.00 0.00 H new ATOM 1046 N ASP A 66 77.307 1.316 4.341 1.00 0.00 N ATOM 1047 CA ASP A 66 76.054 1.048 5.104 1.00 0.00 C ATOM 1048 C ASP A 66 75.167 0.064 4.337 1.00 0.00 C ATOM 1049 O ASP A 66 75.154 0.043 3.122 1.00 0.00 O ATOM 1050 CB ASP A 66 75.367 2.409 5.225 1.00 0.00 C ATOM 1051 CG ASP A 66 74.702 2.527 6.597 1.00 0.00 C ATOM 1052 OD1 ASP A 66 73.699 1.866 6.807 1.00 0.00 O ATOM 1053 OD2 ASP A 66 75.206 3.280 7.414 1.00 0.00 O ATOM 0 H ASP A 66 77.185 1.851 3.481 1.00 0.00 H new ATOM 0 HA ASP A 66 76.251 0.602 6.079 1.00 0.00 H new ATOM 0 HB2 ASP A 66 76.096 3.209 5.093 1.00 0.00 H new ATOM 0 HB3 ASP A 66 74.622 2.523 4.437 1.00 0.00 H new ATOM 1058 N ALA A 67 74.425 -0.752 5.035 1.00 0.00 N ATOM 1059 CA ALA A 67 73.542 -1.731 4.346 1.00 0.00 C ATOM 1060 C ALA A 67 72.090 -1.538 4.790 1.00 0.00 C ATOM 1061 O ALA A 67 71.254 -2.400 4.603 1.00 0.00 O ATOM 1062 CB ALA A 67 74.056 -3.105 4.774 1.00 0.00 C ATOM 0 H ALA A 67 74.393 -0.782 6.054 1.00 0.00 H new ATOM 0 HA ALA A 67 73.562 -1.611 3.263 1.00 0.00 H new ATOM 0 HB1 ALA A 67 73.452 -3.882 4.305 1.00 0.00 H new ATOM 0 HB2 ALA A 67 75.095 -3.217 4.465 1.00 0.00 H new ATOM 0 HB3 ALA A 67 73.987 -3.198 5.858 1.00 0.00 H new ATOM 1068 N ASP A 68 71.781 -0.412 5.373 1.00 0.00 N ATOM 1069 CA ASP A 68 70.384 -0.162 5.826 1.00 0.00 C ATOM 1070 C ASP A 68 70.244 1.309 6.194 1.00 0.00 C ATOM 1071 O ASP A 68 69.407 1.693 6.986 1.00 0.00 O ATOM 1072 CB ASP A 68 70.193 -1.052 7.055 1.00 0.00 C ATOM 1073 CG ASP A 68 71.361 -0.847 8.022 1.00 0.00 C ATOM 1074 OD1 ASP A 68 72.201 -0.009 7.736 1.00 0.00 O ATOM 1075 OD2 ASP A 68 71.395 -1.531 9.031 1.00 0.00 O ATOM 0 H ASP A 68 72.438 0.347 5.555 1.00 0.00 H new ATOM 0 HA ASP A 68 69.640 -0.385 5.061 1.00 0.00 H new ATOM 0 HB2 ASP A 68 69.252 -0.811 7.549 1.00 0.00 H new ATOM 0 HB3 ASP A 68 70.136 -2.098 6.754 1.00 0.00 H new ATOM 1080 N CYS A 69 71.081 2.127 5.619 1.00 0.00 N ATOM 1081 CA CYS A 69 71.053 3.577 5.909 1.00 0.00 C ATOM 1082 C CYS A 69 70.758 3.817 7.389 1.00 0.00 C ATOM 1083 O CYS A 69 70.129 4.788 7.760 1.00 0.00 O ATOM 1084 CB CYS A 69 69.941 4.147 5.027 1.00 0.00 C ATOM 1085 SG CYS A 69 70.608 4.529 3.388 1.00 0.00 S ATOM 0 H CYS A 69 71.794 1.841 4.949 1.00 0.00 H new ATOM 0 HA CYS A 69 72.010 4.056 5.701 1.00 0.00 H new ATOM 0 HB2 CYS A 69 69.126 3.429 4.941 1.00 0.00 H new ATOM 0 HB3 CYS A 69 69.527 5.047 5.482 1.00 0.00 H new ATOM 0 HG CYS A 69 69.663 5.011 2.637 1.00 0.00 H new ATOM 1091 N ASP A 70 71.211 2.937 8.233 1.00 0.00 N ATOM 1092 CA ASP A 70 70.962 3.106 9.692 1.00 0.00 C ATOM 1093 C ASP A 70 71.855 4.216 10.251 1.00 0.00 C ATOM 1094 O ASP A 70 71.714 4.629 11.385 1.00 0.00 O ATOM 1095 CB ASP A 70 71.327 1.759 10.317 1.00 0.00 C ATOM 1096 CG ASP A 70 72.846 1.579 10.293 1.00 0.00 C ATOM 1097 OD1 ASP A 70 73.481 2.189 9.447 1.00 0.00 O ATOM 1098 OD2 ASP A 70 73.349 0.835 11.119 1.00 0.00 O ATOM 0 H ASP A 70 71.744 2.106 7.977 1.00 0.00 H new ATOM 0 HA ASP A 70 69.931 3.386 9.906 1.00 0.00 H new ATOM 0 HB2 ASP A 70 70.961 1.711 11.343 1.00 0.00 H new ATOM 0 HB3 ASP A 70 70.846 0.949 9.768 1.00 0.00 H new ATOM 1103 N GLY A 71 72.775 4.701 9.462 1.00 0.00 N ATOM 1104 CA GLY A 71 73.680 5.782 9.949 1.00 0.00 C ATOM 1105 C GLY A 71 74.864 5.158 10.692 1.00 0.00 C ATOM 1106 O GLY A 71 75.999 5.554 10.515 1.00 0.00 O ATOM 0 H GLY A 71 72.939 4.396 8.503 1.00 0.00 H new ATOM 0 HA2 GLY A 71 74.037 6.378 9.109 1.00 0.00 H new ATOM 0 HA3 GLY A 71 73.136 6.456 10.610 1.00 0.00 H new ATOM 1110 N ALA A 72 74.606 4.183 11.520 1.00 0.00 N ATOM 1111 CA ALA A 72 75.703 3.527 12.275 1.00 0.00 C ATOM 1112 C ALA A 72 76.260 2.354 11.471 1.00 0.00 C ATOM 1113 O ALA A 72 75.621 1.839 10.577 1.00 0.00 O ATOM 1114 CB ALA A 72 75.050 3.024 13.562 1.00 0.00 C ATOM 0 H ALA A 72 73.674 3.812 11.705 1.00 0.00 H new ATOM 0 HA ALA A 72 76.533 4.205 12.475 1.00 0.00 H new ATOM 0 HB1 ALA A 72 75.798 2.525 14.178 1.00 0.00 H new ATOM 0 HB2 ALA A 72 74.632 3.867 14.111 1.00 0.00 H new ATOM 0 HB3 ALA A 72 74.254 2.321 13.316 1.00 0.00 H new ATOM 1120 N LEU A 73 77.448 1.929 11.786 1.00 0.00 N ATOM 1121 CA LEU A 73 78.051 0.785 11.044 1.00 0.00 C ATOM 1122 C LEU A 73 78.810 -0.131 12.005 1.00 0.00 C ATOM 1123 O LEU A 73 79.646 0.309 12.765 1.00 0.00 O ATOM 1124 CB LEU A 73 79.017 1.424 10.045 1.00 0.00 C ATOM 1125 CG LEU A 73 78.235 2.292 9.058 1.00 0.00 C ATOM 1126 CD1 LEU A 73 78.205 3.738 9.557 1.00 0.00 C ATOM 1127 CD2 LEU A 73 78.915 2.242 7.687 1.00 0.00 C ATOM 0 H LEU A 73 78.030 2.323 12.525 1.00 0.00 H new ATOM 0 HA LEU A 73 77.296 0.173 10.550 1.00 0.00 H new ATOM 0 HB2 LEU A 73 79.754 2.030 10.573 1.00 0.00 H new ATOM 0 HB3 LEU A 73 79.566 0.650 9.509 1.00 0.00 H new ATOM 0 HG LEU A 73 77.215 1.916 8.975 1.00 0.00 H new ATOM 0 HD11 LEU A 73 77.647 4.355 8.852 1.00 0.00 H new ATOM 0 HD12 LEU A 73 77.722 3.776 10.533 1.00 0.00 H new ATOM 0 HD13 LEU A 73 79.224 4.115 9.641 1.00 0.00 H new ATOM 0 HD21 LEU A 73 78.359 2.860 6.982 1.00 0.00 H new ATOM 0 HD22 LEU A 73 79.935 2.617 7.773 1.00 0.00 H new ATOM 0 HD23 LEU A 73 78.936 1.213 7.329 1.00 0.00 H new ATOM 1139 N THR A 74 78.531 -1.405 11.976 1.00 0.00 N ATOM 1140 CA THR A 74 79.246 -2.342 12.892 1.00 0.00 C ATOM 1141 C THR A 74 80.715 -2.459 12.481 1.00 0.00 C ATOM 1142 O THR A 74 81.066 -2.246 11.337 1.00 0.00 O ATOM 1143 CB THR A 74 78.537 -3.687 12.723 1.00 0.00 C ATOM 1144 OG1 THR A 74 78.952 -4.290 11.505 1.00 0.00 O ATOM 1145 CG2 THR A 74 77.023 -3.475 12.698 1.00 0.00 C ATOM 0 H THR A 74 77.842 -1.838 11.361 1.00 0.00 H new ATOM 0 HA THR A 74 79.227 -2.000 13.927 1.00 0.00 H new ATOM 0 HB THR A 74 78.794 -4.337 13.559 1.00 0.00 H new ATOM 0 HG1 THR A 74 78.500 -5.153 11.396 1.00 0.00 H new ATOM 0 HG21 THR A 74 76.523 -4.436 12.577 1.00 0.00 H new ATOM 0 HG22 THR A 74 76.705 -3.015 13.633 1.00 0.00 H new ATOM 0 HG23 THR A 74 76.761 -2.823 11.865 1.00 0.00 H new ATOM 1153 N LEU A 75 81.577 -2.801 13.399 1.00 0.00 N ATOM 1154 CA LEU A 75 83.017 -2.936 13.043 1.00 0.00 C ATOM 1155 C LEU A 75 83.173 -3.859 11.831 1.00 0.00 C ATOM 1156 O LEU A 75 83.939 -3.571 10.933 1.00 0.00 O ATOM 1157 CB LEU A 75 83.692 -3.543 14.275 1.00 0.00 C ATOM 1158 CG LEU A 75 85.186 -3.218 14.244 1.00 0.00 C ATOM 1159 CD1 LEU A 75 85.754 -3.287 15.662 1.00 0.00 C ATOM 1160 CD2 LEU A 75 85.907 -4.235 13.357 1.00 0.00 C ATOM 0 H LEU A 75 81.348 -2.992 14.375 1.00 0.00 H new ATOM 0 HA LEU A 75 83.464 -1.978 12.777 1.00 0.00 H new ATOM 0 HB2 LEU A 75 83.240 -3.146 15.184 1.00 0.00 H new ATOM 0 HB3 LEU A 75 83.543 -4.623 14.291 1.00 0.00 H new ATOM 0 HG LEU A 75 85.332 -2.215 13.844 1.00 0.00 H new ATOM 0 HD11 LEU A 75 86.819 -3.055 15.639 1.00 0.00 H new ATOM 0 HD12 LEU A 75 85.239 -2.565 16.296 1.00 0.00 H new ATOM 0 HD13 LEU A 75 85.610 -4.290 16.063 1.00 0.00 H new ATOM 0 HD21 LEU A 75 86.972 -4.006 13.333 1.00 0.00 H new ATOM 0 HD22 LEU A 75 85.760 -5.237 13.759 1.00 0.00 H new ATOM 0 HD23 LEU A 75 85.503 -4.187 12.346 1.00 0.00 H new ATOM 1172 N PRO A 76 82.437 -4.943 11.837 1.00 0.00 N ATOM 1173 CA PRO A 76 82.505 -5.904 10.712 1.00 0.00 C ATOM 1174 C PRO A 76 82.069 -5.227 9.412 1.00 0.00 C ATOM 1175 O PRO A 76 82.571 -5.532 8.349 1.00 0.00 O ATOM 1176 CB PRO A 76 81.522 -7.012 11.098 1.00 0.00 C ATOM 1177 CG PRO A 76 81.264 -6.827 12.560 1.00 0.00 C ATOM 1178 CD PRO A 76 81.487 -5.373 12.868 1.00 0.00 C ATOM 0 HA PRO A 76 83.513 -6.285 10.545 1.00 0.00 H new ATOM 0 HB2 PRO A 76 80.599 -6.935 10.524 1.00 0.00 H new ATOM 0 HB3 PRO A 76 81.942 -7.997 10.895 1.00 0.00 H new ATOM 0 HG2 PRO A 76 80.245 -7.122 12.812 1.00 0.00 H new ATOM 0 HG3 PRO A 76 81.932 -7.453 13.151 1.00 0.00 H new ATOM 0 HD2 PRO A 76 80.558 -4.806 12.818 1.00 0.00 H new ATOM 0 HD3 PRO A 76 81.893 -5.233 13.870 1.00 0.00 H new ATOM 1186 N GLU A 77 81.144 -4.307 9.482 1.00 0.00 N ATOM 1187 CA GLU A 77 80.704 -3.625 8.236 1.00 0.00 C ATOM 1188 C GLU A 77 81.714 -2.529 7.882 1.00 0.00 C ATOM 1189 O GLU A 77 81.737 -2.020 6.779 1.00 0.00 O ATOM 1190 CB GLU A 77 79.301 -3.070 8.555 1.00 0.00 C ATOM 1191 CG GLU A 77 79.321 -1.544 8.704 1.00 0.00 C ATOM 1192 CD GLU A 77 77.887 -1.013 8.654 1.00 0.00 C ATOM 1193 OE1 GLU A 77 77.024 -1.639 9.247 1.00 0.00 O ATOM 1194 OE2 GLU A 77 77.675 0.009 8.025 1.00 0.00 O ATOM 0 H GLU A 77 80.680 -4.003 10.338 1.00 0.00 H new ATOM 0 HA GLU A 77 80.656 -4.283 7.368 1.00 0.00 H new ATOM 0 HB2 GLU A 77 78.609 -3.350 7.761 1.00 0.00 H new ATOM 0 HB3 GLU A 77 78.930 -3.522 9.475 1.00 0.00 H new ATOM 0 HG2 GLU A 77 79.792 -1.265 9.647 1.00 0.00 H new ATOM 0 HG3 GLU A 77 79.915 -1.097 7.907 1.00 0.00 H new ATOM 1201 N PHE A 78 82.564 -2.180 8.811 1.00 0.00 N ATOM 1202 CA PHE A 78 83.590 -1.137 8.532 1.00 0.00 C ATOM 1203 C PHE A 78 84.741 -1.768 7.745 1.00 0.00 C ATOM 1204 O PHE A 78 85.401 -1.119 6.959 1.00 0.00 O ATOM 1205 CB PHE A 78 84.063 -0.661 9.910 1.00 0.00 C ATOM 1206 CG PHE A 78 85.426 -0.014 9.790 1.00 0.00 C ATOM 1207 CD1 PHE A 78 86.572 -0.813 9.696 1.00 0.00 C ATOM 1208 CD2 PHE A 78 85.542 1.382 9.770 1.00 0.00 C ATOM 1209 CE1 PHE A 78 87.833 -0.217 9.583 1.00 0.00 C ATOM 1210 CE2 PHE A 78 86.804 1.977 9.656 1.00 0.00 C ATOM 1211 CZ PHE A 78 87.949 1.178 9.563 1.00 0.00 C ATOM 0 H PHE A 78 82.591 -2.574 9.752 1.00 0.00 H new ATOM 0 HA PHE A 78 83.205 -0.307 7.940 1.00 0.00 H new ATOM 0 HB2 PHE A 78 83.348 0.050 10.324 1.00 0.00 H new ATOM 0 HB3 PHE A 78 84.110 -1.504 10.599 1.00 0.00 H new ATOM 0 HD1 PHE A 78 86.483 -1.889 9.711 1.00 0.00 H new ATOM 0 HD2 PHE A 78 84.658 1.999 9.842 1.00 0.00 H new ATOM 0 HE1 PHE A 78 88.717 -0.833 9.511 1.00 0.00 H new ATOM 0 HE2 PHE A 78 86.894 3.053 9.640 1.00 0.00 H new ATOM 0 HZ PHE A 78 88.922 1.638 9.476 1.00 0.00 H new ATOM 1221 N CYS A 79 84.980 -3.037 7.948 1.00 0.00 N ATOM 1222 CA CYS A 79 86.082 -3.713 7.210 1.00 0.00 C ATOM 1223 C CYS A 79 85.836 -3.606 5.702 1.00 0.00 C ATOM 1224 O CYS A 79 86.750 -3.415 4.925 1.00 0.00 O ATOM 1225 CB CYS A 79 86.023 -5.171 7.662 1.00 0.00 C ATOM 1226 SG CYS A 79 87.446 -6.069 6.995 1.00 0.00 S ATOM 0 H CYS A 79 84.459 -3.632 8.592 1.00 0.00 H new ATOM 0 HA CYS A 79 87.056 -3.267 7.410 1.00 0.00 H new ATOM 0 HB2 CYS A 79 86.023 -5.225 8.751 1.00 0.00 H new ATOM 0 HB3 CYS A 79 85.096 -5.632 7.320 1.00 0.00 H new ATOM 0 HG CYS A 79 88.539 -5.428 7.286 1.00 0.00 H new ATOM 1232 N ALA A 80 84.605 -3.721 5.285 1.00 0.00 N ATOM 1233 CA ALA A 80 84.298 -3.618 3.831 1.00 0.00 C ATOM 1234 C ALA A 80 84.412 -2.164 3.378 1.00 0.00 C ATOM 1235 O ALA A 80 85.040 -1.857 2.384 1.00 0.00 O ATOM 1236 CB ALA A 80 82.857 -4.112 3.691 1.00 0.00 C ATOM 0 H ALA A 80 83.799 -3.882 5.889 1.00 0.00 H new ATOM 0 HA ALA A 80 84.986 -4.201 3.219 1.00 0.00 H new ATOM 0 HB1 ALA A 80 82.557 -4.066 2.644 1.00 0.00 H new ATOM 0 HB2 ALA A 80 82.789 -5.141 4.043 1.00 0.00 H new ATOM 0 HB3 ALA A 80 82.197 -3.481 4.286 1.00 0.00 H new ATOM 1242 N ALA A 81 83.813 -1.267 4.106 1.00 0.00 N ATOM 1243 CA ALA A 81 83.891 0.171 3.726 1.00 0.00 C ATOM 1244 C ALA A 81 85.332 0.528 3.358 1.00 0.00 C ATOM 1245 O ALA A 81 85.582 1.259 2.422 1.00 0.00 O ATOM 1246 CB ALA A 81 83.443 0.938 4.970 1.00 0.00 C ATOM 0 H ALA A 81 83.272 -1.466 4.948 1.00 0.00 H new ATOM 0 HA ALA A 81 83.270 0.411 2.863 1.00 0.00 H new ATOM 0 HB1 ALA A 81 83.474 2.009 4.768 1.00 0.00 H new ATOM 0 HB2 ALA A 81 82.425 0.647 5.230 1.00 0.00 H new ATOM 0 HB3 ALA A 81 84.110 0.706 5.800 1.00 0.00 H new ATOM 1252 N PHE A 82 86.282 0.008 4.086 1.00 0.00 N ATOM 1253 CA PHE A 82 87.708 0.309 3.777 1.00 0.00 C ATOM 1254 C PHE A 82 88.088 -0.288 2.420 1.00 0.00 C ATOM 1255 O PHE A 82 88.717 0.353 1.602 1.00 0.00 O ATOM 1256 CB PHE A 82 88.505 -0.354 4.901 1.00 0.00 C ATOM 1257 CG PHE A 82 89.325 0.690 5.618 1.00 0.00 C ATOM 1258 CD1 PHE A 82 88.756 1.429 6.663 1.00 0.00 C ATOM 1259 CD2 PHE A 82 90.652 0.921 5.240 1.00 0.00 C ATOM 1260 CE1 PHE A 82 89.515 2.400 7.328 1.00 0.00 C ATOM 1261 CE2 PHE A 82 91.411 1.890 5.906 1.00 0.00 C ATOM 1262 CZ PHE A 82 90.843 2.629 6.950 1.00 0.00 C ATOM 0 H PHE A 82 86.132 -0.612 4.882 1.00 0.00 H new ATOM 0 HA PHE A 82 87.904 1.380 3.719 1.00 0.00 H new ATOM 0 HB2 PHE A 82 87.828 -0.845 5.601 1.00 0.00 H new ATOM 0 HB3 PHE A 82 89.157 -1.127 4.493 1.00 0.00 H new ATOM 0 HD1 PHE A 82 87.732 1.250 6.956 1.00 0.00 H new ATOM 0 HD2 PHE A 82 91.091 0.351 4.434 1.00 0.00 H new ATOM 0 HE1 PHE A 82 89.076 2.972 8.132 1.00 0.00 H new ATOM 0 HE2 PHE A 82 92.436 2.068 5.614 1.00 0.00 H new ATOM 0 HZ PHE A 82 91.430 3.376 7.464 1.00 0.00 H new ATOM 1272 N HIS A 83 87.707 -1.513 2.174 1.00 0.00 N ATOM 1273 CA HIS A 83 88.042 -2.148 0.868 1.00 0.00 C ATOM 1274 C HIS A 83 87.805 -1.157 -0.273 1.00 0.00 C ATOM 1275 O HIS A 83 88.594 -1.050 -1.191 1.00 0.00 O ATOM 1276 CB HIS A 83 87.084 -3.334 0.747 1.00 0.00 C ATOM 1277 CG HIS A 83 87.471 -4.398 1.737 1.00 0.00 C ATOM 1278 ND1 HIS A 83 86.759 -5.431 2.295 1.00 0.00 N flip ATOM 1279 CD2 HIS A 83 88.745 -4.482 2.274 1.00 0.00 C flip ATOM 1280 CE1 HIS A 83 87.577 -6.147 3.164 1.00 0.00 C flip ATOM 1281 NE2 HIS A 83 88.762 -5.533 3.113 1.00 0.00 N flip ATOM 0 H HIS A 83 87.179 -2.100 2.820 1.00 0.00 H new ATOM 0 HA HIS A 83 89.086 -2.458 0.815 1.00 0.00 H new ATOM 0 HB2 HIS A 83 86.060 -3.008 0.930 1.00 0.00 H new ATOM 0 HB3 HIS A 83 87.114 -3.737 -0.265 1.00 0.00 H new ATOM 0 HD2 HIS A 83 89.574 -3.824 2.058 1.00 0.00 H new ATOM 0 HE1 HIS A 83 87.311 -7.012 3.753 1.00 0.00 H new ATOM 0 HE2 HIS A 83 89.581 -5.826 3.646 1.00 0.00 H new ATOM 1289 N LEU A 84 86.722 -0.432 -0.220 1.00 0.00 N ATOM 1290 CA LEU A 84 86.428 0.555 -1.298 1.00 0.00 C ATOM 1291 C LEU A 84 87.442 1.700 -1.256 1.00 0.00 C ATOM 1292 O LEU A 84 87.941 2.139 -2.273 1.00 0.00 O ATOM 1293 CB LEU A 84 85.021 1.069 -0.989 1.00 0.00 C ATOM 1294 CG LEU A 84 84.070 -0.116 -0.812 1.00 0.00 C ATOM 1295 CD1 LEU A 84 82.624 0.383 -0.810 1.00 0.00 C ATOM 1296 CD2 LEU A 84 84.265 -1.103 -1.965 1.00 0.00 C ATOM 0 H LEU A 84 86.026 -0.480 0.524 1.00 0.00 H new ATOM 0 HA LEU A 84 86.491 0.114 -2.293 1.00 0.00 H new ATOM 0 HB2 LEU A 84 85.035 1.676 -0.083 1.00 0.00 H new ATOM 0 HB3 LEU A 84 84.672 1.711 -1.797 1.00 0.00 H new ATOM 0 HG LEU A 84 84.284 -0.613 0.134 1.00 0.00 H new ATOM 0 HD11 LEU A 84 81.948 -0.462 -0.684 1.00 0.00 H new ATOM 0 HD12 LEU A 84 82.483 1.086 0.011 1.00 0.00 H new ATOM 0 HD13 LEU A 84 82.410 0.881 -1.756 1.00 0.00 H new ATOM 0 HD21 LEU A 84 83.588 -1.948 -1.839 1.00 0.00 H new ATOM 0 HD22 LEU A 84 84.052 -0.605 -2.911 1.00 0.00 H new ATOM 0 HD23 LEU A 84 85.295 -1.461 -1.967 1.00 0.00 H new ATOM 1308 N ILE A 85 87.753 2.185 -0.085 1.00 0.00 N ATOM 1309 CA ILE A 85 88.738 3.299 0.020 1.00 0.00 C ATOM 1310 C ILE A 85 90.038 2.909 -0.693 1.00 0.00 C ATOM 1311 O ILE A 85 90.814 3.754 -1.095 1.00 0.00 O ATOM 1312 CB ILE A 85 88.962 3.486 1.526 1.00 0.00 C ATOM 1313 CG1 ILE A 85 87.879 4.412 2.087 1.00 0.00 C ATOM 1314 CG2 ILE A 85 90.337 4.109 1.784 1.00 0.00 C ATOM 1315 CD1 ILE A 85 86.642 3.593 2.452 1.00 0.00 C ATOM 0 H ILE A 85 87.369 1.859 0.802 1.00 0.00 H new ATOM 0 HA ILE A 85 88.389 4.220 -0.447 1.00 0.00 H new ATOM 0 HB ILE A 85 88.913 2.513 2.015 1.00 0.00 H new ATOM 0 HG12 ILE A 85 88.254 4.935 2.967 1.00 0.00 H new ATOM 0 HG13 ILE A 85 87.620 5.173 1.351 1.00 0.00 H new ATOM 0 HG21 ILE A 85 90.483 4.236 2.857 1.00 0.00 H new ATOM 0 HG22 ILE A 85 91.113 3.455 1.387 1.00 0.00 H new ATOM 0 HG23 ILE A 85 90.395 5.080 1.292 1.00 0.00 H new ATOM 0 HD11 ILE A 85 85.873 4.254 2.851 1.00 0.00 H new ATOM 0 HD12 ILE A 85 86.263 3.090 1.562 1.00 0.00 H new ATOM 0 HD13 ILE A 85 86.907 2.849 3.204 1.00 0.00 H new ATOM 1327 N VAL A 86 90.278 1.637 -0.856 1.00 0.00 N ATOM 1328 CA VAL A 86 91.525 1.197 -1.545 1.00 0.00 C ATOM 1329 C VAL A 86 91.329 1.243 -3.063 1.00 0.00 C ATOM 1330 O VAL A 86 92.241 1.543 -3.808 1.00 0.00 O ATOM 1331 CB VAL A 86 91.753 -0.241 -1.078 1.00 0.00 C ATOM 1332 CG1 VAL A 86 92.903 -0.860 -1.875 1.00 0.00 C ATOM 1333 CG2 VAL A 86 92.107 -0.242 0.410 1.00 0.00 C ATOM 0 H VAL A 86 89.666 0.884 -0.543 1.00 0.00 H new ATOM 0 HA VAL A 86 92.375 1.838 -1.312 1.00 0.00 H new ATOM 0 HB VAL A 86 90.846 -0.823 -1.237 1.00 0.00 H new ATOM 0 HG11 VAL A 86 93.066 -1.885 -1.542 1.00 0.00 H new ATOM 0 HG12 VAL A 86 92.653 -0.858 -2.936 1.00 0.00 H new ATOM 0 HG13 VAL A 86 93.811 -0.278 -1.715 1.00 0.00 H new ATOM 0 HG21 VAL A 86 92.270 -1.267 0.745 1.00 0.00 H new ATOM 0 HG22 VAL A 86 93.015 0.340 0.568 1.00 0.00 H new ATOM 0 HG23 VAL A 86 91.289 0.200 0.979 1.00 0.00 H new ATOM 1343 N ALA A 87 90.144 0.952 -3.526 1.00 0.00 N ATOM 1344 CA ALA A 87 89.890 0.983 -4.995 1.00 0.00 C ATOM 1345 C ALA A 87 90.341 2.323 -5.577 1.00 0.00 C ATOM 1346 O ALA A 87 90.673 2.427 -6.741 1.00 0.00 O ATOM 1347 CB ALA A 87 88.377 0.819 -5.137 1.00 0.00 C ATOM 0 H ALA A 87 89.341 0.694 -2.952 1.00 0.00 H new ATOM 0 HA ALA A 87 90.436 0.204 -5.527 1.00 0.00 H new ATOM 0 HB1 ALA A 87 88.107 0.832 -6.193 1.00 0.00 H new ATOM 0 HB2 ALA A 87 88.071 -0.129 -4.695 1.00 0.00 H new ATOM 0 HB3 ALA A 87 87.873 1.638 -4.624 1.00 0.00 H new ATOM 1353 N ARG A 88 90.357 3.353 -4.775 1.00 0.00 N ATOM 1354 CA ARG A 88 90.788 4.687 -5.280 1.00 0.00 C ATOM 1355 C ARG A 88 92.248 4.628 -5.739 1.00 0.00 C ATOM 1356 O ARG A 88 92.602 5.136 -6.783 1.00 0.00 O ATOM 1357 CB ARG A 88 90.637 5.630 -4.087 1.00 0.00 C ATOM 1358 CG ARG A 88 89.151 5.866 -3.805 1.00 0.00 C ATOM 1359 CD ARG A 88 88.803 7.328 -4.094 1.00 0.00 C ATOM 1360 NE ARG A 88 87.901 7.283 -5.280 1.00 0.00 N ATOM 1361 CZ ARG A 88 88.344 7.651 -6.450 1.00 0.00 C ATOM 1362 NH1 ARG A 88 89.622 7.603 -6.708 1.00 0.00 N ATOM 1363 NH2 ARG A 88 87.509 8.065 -7.364 1.00 0.00 N ATOM 0 H ARG A 88 90.090 3.328 -3.791 1.00 0.00 H new ATOM 0 HA ARG A 88 90.198 5.017 -6.135 1.00 0.00 H new ATOM 0 HB2 ARG A 88 91.121 5.202 -3.209 1.00 0.00 H new ATOM 0 HB3 ARG A 88 91.133 6.578 -4.295 1.00 0.00 H new ATOM 0 HG2 ARG A 88 88.543 5.207 -4.425 1.00 0.00 H new ATOM 0 HG3 ARG A 88 88.924 5.625 -2.766 1.00 0.00 H new ATOM 0 HD2 ARG A 88 88.309 7.792 -3.240 1.00 0.00 H new ATOM 0 HD3 ARG A 88 89.699 7.913 -4.301 1.00 0.00 H new ATOM 0 HE ARG A 88 86.938 6.964 -5.176 1.00 0.00 H new ATOM 0 HH11 ARG A 88 90.274 7.278 -5.995 1.00 0.00 H new ATOM 0 HH12 ARG A 88 89.969 7.891 -7.623 1.00 0.00 H new ATOM 0 HH21 ARG A 88 86.510 8.101 -7.163 1.00 0.00 H new ATOM 0 HH22 ARG A 88 87.856 8.353 -8.279 1.00 0.00 H new ATOM 1377 N LYS A 89 93.096 4.008 -4.964 1.00 0.00 N ATOM 1378 CA LYS A 89 94.531 3.914 -5.356 1.00 0.00 C ATOM 1379 C LYS A 89 94.749 2.706 -6.270 1.00 0.00 C ATOM 1380 O LYS A 89 95.860 2.249 -6.458 1.00 0.00 O ATOM 1381 CB LYS A 89 95.291 3.736 -4.042 1.00 0.00 C ATOM 1382 CG LYS A 89 95.868 5.082 -3.602 1.00 0.00 C ATOM 1383 CD LYS A 89 94.730 6.007 -3.165 1.00 0.00 C ATOM 1384 CE LYS A 89 94.446 5.797 -1.676 1.00 0.00 C ATOM 1385 NZ LYS A 89 95.446 6.647 -0.970 1.00 0.00 N ATOM 0 H LYS A 89 92.857 3.563 -4.078 1.00 0.00 H new ATOM 0 HA LYS A 89 94.868 4.794 -5.904 1.00 0.00 H new ATOM 0 HB2 LYS A 89 94.624 3.345 -3.274 1.00 0.00 H new ATOM 0 HB3 LYS A 89 96.093 3.008 -4.169 1.00 0.00 H new ATOM 0 HG2 LYS A 89 96.570 4.938 -2.780 1.00 0.00 H new ATOM 0 HG3 LYS A 89 96.426 5.536 -4.421 1.00 0.00 H new ATOM 0 HD2 LYS A 89 95.000 7.046 -3.352 1.00 0.00 H new ATOM 0 HD3 LYS A 89 93.834 5.800 -3.750 1.00 0.00 H new ATOM 0 HE2 LYS A 89 93.428 6.092 -1.423 1.00 0.00 H new ATOM 0 HE3 LYS A 89 94.552 4.748 -1.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 95.653 6.237 -0.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 96.321 6.692 -1.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 95.063 7.606 -0.850 1.00 0.00 H new ATOM 1399 N ASN A 90 93.698 2.185 -6.842 1.00 0.00 N ATOM 1400 CA ASN A 90 93.842 1.006 -7.743 1.00 0.00 C ATOM 1401 C ASN A 90 94.291 -0.221 -6.944 1.00 0.00 C ATOM 1402 O ASN A 90 94.822 -1.168 -7.489 1.00 0.00 O ATOM 1403 CB ASN A 90 94.912 1.413 -8.756 1.00 0.00 C ATOM 1404 CG ASN A 90 94.679 0.665 -10.071 1.00 0.00 C ATOM 1405 OD1 ASN A 90 94.223 1.315 -11.107 1.00 0.00 O flip ATOM 1406 ND2 ASN A 90 94.914 -0.524 -10.156 1.00 0.00 N flip ATOM 0 H ASN A 90 92.744 2.526 -6.724 1.00 0.00 H new ATOM 0 HA ASN A 90 92.903 0.738 -8.228 1.00 0.00 H new ATOM 0 HB2 ASN A 90 94.877 2.489 -8.926 1.00 0.00 H new ATOM 0 HB3 ASN A 90 95.904 1.184 -8.366 1.00 0.00 H new ATOM 0 HD21 ASN A 90 95.270 -1.033 -9.347 1.00 0.00 H new ATOM 0 HD22 ASN A 90 94.755 -1.014 -11.037 1.00 0.00 H new ATOM 1413 N GLY A 91 94.079 -0.212 -5.655 1.00 0.00 N ATOM 1414 CA GLY A 91 94.490 -1.380 -4.825 1.00 0.00 C ATOM 1415 C GLY A 91 93.583 -2.571 -5.143 1.00 0.00 C ATOM 1416 O GLY A 91 94.021 -3.704 -5.192 1.00 0.00 O ATOM 0 H GLY A 91 93.640 0.553 -5.142 1.00 0.00 H new ATOM 0 HA2 GLY A 91 95.530 -1.636 -5.027 1.00 0.00 H new ATOM 0 HA3 GLY A 91 94.423 -1.130 -3.766 1.00 0.00 H new ATOM 1420 N TYR A 92 92.321 -2.322 -5.363 1.00 0.00 N ATOM 1421 CA TYR A 92 91.381 -3.434 -5.684 1.00 0.00 C ATOM 1422 C TYR A 92 91.557 -4.593 -4.700 1.00 0.00 C ATOM 1423 O TYR A 92 92.195 -5.580 -5.011 1.00 0.00 O ATOM 1424 CB TYR A 92 91.757 -3.874 -7.098 1.00 0.00 C ATOM 1425 CG TYR A 92 90.749 -3.331 -8.081 1.00 0.00 C ATOM 1426 CD1 TYR A 92 90.359 -1.988 -8.013 1.00 0.00 C ATOM 1427 CD2 TYR A 92 90.205 -4.168 -9.062 1.00 0.00 C ATOM 1428 CE1 TYR A 92 89.423 -1.484 -8.926 1.00 0.00 C ATOM 1429 CE2 TYR A 92 89.271 -3.665 -9.974 1.00 0.00 C ATOM 1430 CZ TYR A 92 88.879 -2.322 -9.905 1.00 0.00 C ATOM 1431 OH TYR A 92 87.958 -1.826 -10.805 1.00 0.00 O ATOM 0 H TYR A 92 91.899 -1.394 -5.334 1.00 0.00 H new ATOM 0 HA TYR A 92 90.340 -3.120 -5.613 1.00 0.00 H new ATOM 0 HB2 TYR A 92 92.755 -3.514 -7.349 1.00 0.00 H new ATOM 0 HB3 TYR A 92 91.787 -4.962 -7.156 1.00 0.00 H new ATOM 0 HD1 TYR A 92 90.779 -1.341 -7.257 1.00 0.00 H new ATOM 0 HD2 TYR A 92 90.507 -5.204 -9.115 1.00 0.00 H new ATOM 0 HE1 TYR A 92 89.122 -0.448 -8.874 1.00 0.00 H new ATOM 0 HE2 TYR A 92 88.852 -4.312 -10.731 1.00 0.00 H new ATOM 0 HH TYR A 92 87.682 -2.540 -11.418 1.00 0.00 H new ATOM 1441 N PRO A 93 90.979 -4.434 -3.541 1.00 0.00 N ATOM 1442 CA PRO A 93 91.062 -5.479 -2.497 1.00 0.00 C ATOM 1443 C PRO A 93 90.108 -6.629 -2.834 1.00 0.00 C ATOM 1444 O PRO A 93 88.999 -6.690 -2.341 1.00 0.00 O ATOM 1445 CB PRO A 93 90.617 -4.768 -1.213 1.00 0.00 C ATOM 1446 CG PRO A 93 90.296 -3.349 -1.598 1.00 0.00 C ATOM 1447 CD PRO A 93 90.199 -3.285 -3.098 1.00 0.00 C ATOM 0 HA PRO A 93 92.059 -5.910 -2.406 1.00 0.00 H new ATOM 0 HB2 PRO A 93 89.745 -5.259 -0.780 1.00 0.00 H new ATOM 0 HB3 PRO A 93 91.405 -4.797 -0.461 1.00 0.00 H new ATOM 0 HG2 PRO A 93 89.358 -3.033 -1.142 1.00 0.00 H new ATOM 0 HG3 PRO A 93 91.070 -2.672 -1.237 1.00 0.00 H new ATOM 0 HD2 PRO A 93 89.165 -3.348 -3.436 1.00 0.00 H new ATOM 0 HD3 PRO A 93 90.605 -2.351 -3.487 1.00 0.00 H new ATOM 1455 N LEU A 94 90.526 -7.533 -3.677 1.00 0.00 N ATOM 1456 CA LEU A 94 89.636 -8.672 -4.053 1.00 0.00 C ATOM 1457 C LEU A 94 88.362 -8.142 -4.719 1.00 0.00 C ATOM 1458 O LEU A 94 87.710 -7.260 -4.196 1.00 0.00 O ATOM 1459 CB LEU A 94 89.301 -9.374 -2.735 1.00 0.00 C ATOM 1460 CG LEU A 94 88.595 -10.699 -3.030 1.00 0.00 C ATOM 1461 CD1 LEU A 94 88.658 -11.600 -1.795 1.00 0.00 C ATOM 1462 CD2 LEU A 94 87.132 -10.426 -3.386 1.00 0.00 C ATOM 0 H LEU A 94 91.444 -7.534 -4.122 1.00 0.00 H new ATOM 0 HA LEU A 94 90.111 -9.351 -4.761 1.00 0.00 H new ATOM 0 HB2 LEU A 94 90.212 -9.554 -2.164 1.00 0.00 H new ATOM 0 HB3 LEU A 94 88.662 -8.737 -2.123 1.00 0.00 H new ATOM 0 HG LEU A 94 89.089 -11.195 -3.866 1.00 0.00 H new ATOM 0 HD11 LEU A 94 88.155 -12.543 -2.007 1.00 0.00 H new ATOM 0 HD12 LEU A 94 89.700 -11.794 -1.539 1.00 0.00 H new ATOM 0 HD13 LEU A 94 88.165 -11.105 -0.958 1.00 0.00 H new ATOM 0 HD21 LEU A 94 86.627 -11.369 -3.597 1.00 0.00 H new ATOM 0 HD22 LEU A 94 86.640 -9.930 -2.549 1.00 0.00 H new ATOM 0 HD23 LEU A 94 87.085 -9.785 -4.266 1.00 0.00 H new ATOM 1474 N PRO A 95 88.049 -8.697 -5.859 1.00 0.00 N ATOM 1475 CA PRO A 95 86.840 -8.269 -6.605 1.00 0.00 C ATOM 1476 C PRO A 95 85.584 -8.503 -5.761 1.00 0.00 C ATOM 1477 O PRO A 95 85.203 -9.626 -5.495 1.00 0.00 O ATOM 1478 CB PRO A 95 86.833 -9.156 -7.852 1.00 0.00 C ATOM 1479 CG PRO A 95 87.796 -10.267 -7.568 1.00 0.00 C ATOM 1480 CD PRO A 95 88.781 -9.758 -6.552 1.00 0.00 C ATOM 0 HA PRO A 95 86.850 -7.208 -6.854 1.00 0.00 H new ATOM 0 HB2 PRO A 95 85.834 -9.545 -8.049 1.00 0.00 H new ATOM 0 HB3 PRO A 95 87.136 -8.592 -8.735 1.00 0.00 H new ATOM 0 HG2 PRO A 95 87.270 -11.143 -7.188 1.00 0.00 H new ATOM 0 HG3 PRO A 95 88.309 -10.573 -8.480 1.00 0.00 H new ATOM 0 HD2 PRO A 95 89.090 -10.546 -5.865 1.00 0.00 H new ATOM 0 HD3 PRO A 95 89.685 -9.376 -7.027 1.00 0.00 H new ATOM 1488 N GLU A 96 84.939 -7.450 -5.338 1.00 0.00 N ATOM 1489 CA GLU A 96 83.708 -7.611 -4.512 1.00 0.00 C ATOM 1490 C GLU A 96 82.461 -7.385 -5.370 1.00 0.00 C ATOM 1491 O GLU A 96 82.476 -7.581 -6.569 1.00 0.00 O ATOM 1492 CB GLU A 96 83.816 -6.536 -3.428 1.00 0.00 C ATOM 1493 CG GLU A 96 83.555 -5.161 -4.045 1.00 0.00 C ATOM 1494 CD GLU A 96 84.526 -4.141 -3.448 1.00 0.00 C ATOM 1495 OE1 GLU A 96 85.186 -4.477 -2.480 1.00 0.00 O ATOM 1496 OE2 GLU A 96 84.594 -3.041 -3.971 1.00 0.00 O ATOM 0 H GLU A 96 85.211 -6.486 -5.528 1.00 0.00 H new ATOM 0 HA GLU A 96 83.623 -8.611 -4.088 1.00 0.00 H new ATOM 0 HB2 GLU A 96 83.096 -6.732 -2.633 1.00 0.00 H new ATOM 0 HB3 GLU A 96 84.807 -6.561 -2.974 1.00 0.00 H new ATOM 0 HG2 GLU A 96 83.679 -5.207 -5.127 1.00 0.00 H new ATOM 0 HG3 GLU A 96 82.526 -4.855 -3.855 1.00 0.00 H new ATOM 1503 N GLY A 97 81.380 -6.975 -4.765 1.00 0.00 N ATOM 1504 CA GLY A 97 80.133 -6.737 -5.545 1.00 0.00 C ATOM 1505 C GLY A 97 80.457 -5.927 -6.797 1.00 0.00 C ATOM 1506 O GLY A 97 80.838 -6.470 -7.814 1.00 0.00 O ATOM 0 H GLY A 97 81.307 -6.795 -3.764 1.00 0.00 H new ATOM 0 HA2 GLY A 97 79.679 -7.688 -5.823 1.00 0.00 H new ATOM 0 HA3 GLY A 97 79.406 -6.203 -4.933 1.00 0.00 H new ATOM 1510 N LEU A 98 80.304 -4.632 -6.729 1.00 0.00 N ATOM 1511 CA LEU A 98 80.599 -3.777 -7.914 1.00 0.00 C ATOM 1512 C LEU A 98 79.732 -4.207 -9.107 1.00 0.00 C ATOM 1513 O LEU A 98 79.783 -5.342 -9.534 1.00 0.00 O ATOM 1514 CB LEU A 98 82.088 -4.003 -8.202 1.00 0.00 C ATOM 1515 CG LEU A 98 82.434 -3.452 -9.584 1.00 0.00 C ATOM 1516 CD1 LEU A 98 82.539 -1.928 -9.515 1.00 0.00 C ATOM 1517 CD2 LEU A 98 83.773 -4.034 -10.042 1.00 0.00 C ATOM 0 H LEU A 98 79.986 -4.128 -5.901 1.00 0.00 H new ATOM 0 HA LEU A 98 80.379 -2.724 -7.736 1.00 0.00 H new ATOM 0 HB2 LEU A 98 82.694 -3.511 -7.441 1.00 0.00 H new ATOM 0 HB3 LEU A 98 82.320 -5.067 -8.155 1.00 0.00 H new ATOM 0 HG LEU A 98 81.653 -3.730 -10.292 1.00 0.00 H new ATOM 0 HD11 LEU A 98 82.786 -1.535 -10.501 1.00 0.00 H new ATOM 0 HD12 LEU A 98 81.586 -1.512 -9.187 1.00 0.00 H new ATOM 0 HD13 LEU A 98 83.320 -1.649 -8.807 1.00 0.00 H new ATOM 0 HD21 LEU A 98 84.022 -3.642 -11.028 1.00 0.00 H new ATOM 0 HD22 LEU A 98 84.553 -3.755 -9.333 1.00 0.00 H new ATOM 0 HD23 LEU A 98 83.700 -5.120 -10.091 1.00 0.00 H new ATOM 1529 N PRO A 99 78.958 -3.278 -9.605 1.00 0.00 N ATOM 1530 CA PRO A 99 78.070 -3.565 -10.755 1.00 0.00 C ATOM 1531 C PRO A 99 78.841 -4.283 -11.867 1.00 0.00 C ATOM 1532 O PRO A 99 78.508 -5.393 -12.231 1.00 0.00 O ATOM 1533 CB PRO A 99 77.590 -2.187 -11.223 1.00 0.00 C ATOM 1534 CG PRO A 99 78.254 -1.172 -10.336 1.00 0.00 C ATOM 1535 CD PRO A 99 78.837 -1.895 -9.151 1.00 0.00 C ATOM 0 HA PRO A 99 77.241 -4.220 -10.488 1.00 0.00 H new ATOM 0 HB2 PRO A 99 77.854 -2.020 -12.267 1.00 0.00 H new ATOM 0 HB3 PRO A 99 76.505 -2.111 -11.153 1.00 0.00 H new ATOM 0 HG2 PRO A 99 79.036 -0.644 -10.882 1.00 0.00 H new ATOM 0 HG3 PRO A 99 77.533 -0.424 -10.008 1.00 0.00 H new ATOM 0 HD2 PRO A 99 79.805 -1.482 -8.868 1.00 0.00 H new ATOM 0 HD3 PRO A 99 78.189 -1.817 -8.278 1.00 0.00 H new ATOM 1543 N PRO A 100 79.852 -3.627 -12.368 1.00 0.00 N ATOM 1544 CA PRO A 100 80.679 -4.219 -13.450 1.00 0.00 C ATOM 1545 C PRO A 100 81.365 -5.494 -12.951 1.00 0.00 C ATOM 1546 O PRO A 100 82.087 -5.479 -11.973 1.00 0.00 O ATOM 1547 CB PRO A 100 81.710 -3.135 -13.768 1.00 0.00 C ATOM 1548 CG PRO A 100 81.689 -2.204 -12.596 1.00 0.00 C ATOM 1549 CD PRO A 100 80.317 -2.295 -11.983 1.00 0.00 C ATOM 0 HA PRO A 100 80.095 -4.503 -14.325 1.00 0.00 H new ATOM 0 HB2 PRO A 100 82.701 -3.566 -13.909 1.00 0.00 H new ATOM 0 HB3 PRO A 100 81.456 -2.611 -14.690 1.00 0.00 H new ATOM 0 HG2 PRO A 100 82.454 -2.481 -11.871 1.00 0.00 H new ATOM 0 HG3 PRO A 100 81.903 -1.183 -12.911 1.00 0.00 H new ATOM 0 HD2 PRO A 100 80.354 -2.182 -10.900 1.00 0.00 H new ATOM 0 HD3 PRO A 100 79.657 -1.515 -12.362 1.00 0.00 H new ATOM 1557 N THR A 101 81.146 -6.597 -13.612 1.00 0.00 N ATOM 1558 CA THR A 101 81.786 -7.870 -13.170 1.00 0.00 C ATOM 1559 C THR A 101 82.271 -8.671 -14.380 1.00 0.00 C ATOM 1560 O THR A 101 81.856 -9.791 -14.604 1.00 0.00 O ATOM 1561 CB THR A 101 80.683 -8.630 -12.430 1.00 0.00 C ATOM 1562 OG1 THR A 101 79.429 -8.339 -13.030 1.00 0.00 O ATOM 1563 CG2 THR A 101 80.662 -8.201 -10.963 1.00 0.00 C ATOM 0 H THR A 101 80.553 -6.673 -14.438 1.00 0.00 H new ATOM 0 HA THR A 101 82.657 -7.695 -12.539 1.00 0.00 H new ATOM 0 HB THR A 101 80.875 -9.701 -12.489 1.00 0.00 H new ATOM 0 HG1 THR A 101 78.720 -8.826 -12.559 1.00 0.00 H new ATOM 0 HG21 THR A 101 79.876 -8.743 -10.437 1.00 0.00 H new ATOM 0 HG22 THR A 101 81.626 -8.424 -10.505 1.00 0.00 H new ATOM 0 HG23 THR A 101 80.469 -7.130 -10.900 1.00 0.00 H new ATOM 1571 N LEU A 102 83.150 -8.108 -15.162 1.00 0.00 N ATOM 1572 CA LEU A 102 83.664 -8.837 -16.356 1.00 0.00 C ATOM 1573 C LEU A 102 85.143 -9.180 -16.166 1.00 0.00 C ATOM 1574 O LEU A 102 85.585 -10.267 -16.482 1.00 0.00 O ATOM 1575 CB LEU A 102 83.483 -7.864 -17.522 1.00 0.00 C ATOM 1576 CG LEU A 102 83.194 -8.650 -18.802 1.00 0.00 C ATOM 1577 CD1 LEU A 102 84.279 -9.710 -19.007 1.00 0.00 C ATOM 1578 CD2 LEU A 102 81.831 -9.334 -18.682 1.00 0.00 C ATOM 0 H LEU A 102 83.535 -7.173 -15.026 1.00 0.00 H new ATOM 0 HA LEU A 102 83.139 -9.777 -16.526 1.00 0.00 H new ATOM 0 HB2 LEU A 102 82.664 -7.176 -17.312 1.00 0.00 H new ATOM 0 HB3 LEU A 102 84.382 -7.260 -17.648 1.00 0.00 H new ATOM 0 HG LEU A 102 83.187 -7.969 -19.653 1.00 0.00 H new ATOM 0 HD11 LEU A 102 84.073 -10.270 -19.919 1.00 0.00 H new ATOM 0 HD12 LEU A 102 85.251 -9.224 -19.091 1.00 0.00 H new ATOM 0 HD13 LEU A 102 84.287 -10.392 -18.157 1.00 0.00 H new ATOM 0 HD21 LEU A 102 81.624 -9.895 -19.594 1.00 0.00 H new ATOM 0 HD22 LEU A 102 81.839 -10.015 -17.831 1.00 0.00 H new ATOM 0 HD23 LEU A 102 81.057 -8.580 -18.536 1.00 0.00 H new ATOM 1590 N GLN A 103 85.912 -8.260 -15.650 1.00 0.00 N ATOM 1591 CA GLN A 103 87.361 -8.532 -15.437 1.00 0.00 C ATOM 1592 C GLN A 103 88.063 -8.745 -16.782 1.00 0.00 C ATOM 1593 O GLN A 103 87.642 -9.559 -17.578 1.00 0.00 O ATOM 1594 CB GLN A 103 87.404 -9.813 -14.604 1.00 0.00 C ATOM 1595 CG GLN A 103 88.478 -9.685 -13.522 1.00 0.00 C ATOM 1596 CD GLN A 103 88.986 -11.077 -13.142 1.00 0.00 C ATOM 1597 OE1 GLN A 103 88.806 -11.518 -12.024 1.00 0.00 O ATOM 1598 NE2 GLN A 103 89.618 -11.793 -14.031 1.00 0.00 N ATOM 0 H GLN A 103 85.599 -7.332 -15.367 1.00 0.00 H new ATOM 0 HA GLN A 103 87.868 -7.704 -14.941 1.00 0.00 H new ATOM 0 HB2 GLN A 103 86.432 -9.994 -14.146 1.00 0.00 H new ATOM 0 HB3 GLN A 103 87.619 -10.668 -15.245 1.00 0.00 H new ATOM 0 HG2 GLN A 103 89.303 -9.071 -13.884 1.00 0.00 H new ATOM 0 HG3 GLN A 103 88.068 -9.184 -12.645 1.00 0.00 H new ATOM 0 HE21 GLN A 103 89.769 -11.423 -14.970 1.00 0.00 H new ATOM 0 HE22 GLN A 103 89.961 -12.722 -13.787 1.00 0.00 H new ATOM 1607 N PRO A 104 89.116 -8.000 -16.990 1.00 0.00 N ATOM 1608 CA PRO A 104 89.889 -8.107 -18.252 1.00 0.00 C ATOM 1609 C PRO A 104 90.460 -9.518 -18.405 1.00 0.00 C ATOM 1610 O PRO A 104 91.588 -9.786 -18.041 1.00 0.00 O ATOM 1611 CB PRO A 104 91.015 -7.082 -18.092 1.00 0.00 C ATOM 1612 CG PRO A 104 90.604 -6.201 -16.954 1.00 0.00 C ATOM 1613 CD PRO A 104 89.680 -7.003 -16.080 1.00 0.00 C ATOM 0 HA PRO A 104 89.281 -7.920 -19.137 1.00 0.00 H new ATOM 0 HB2 PRO A 104 91.965 -7.574 -17.883 1.00 0.00 H new ATOM 0 HB3 PRO A 104 91.150 -6.503 -19.006 1.00 0.00 H new ATOM 0 HG2 PRO A 104 91.476 -5.870 -16.390 1.00 0.00 H new ATOM 0 HG3 PRO A 104 90.104 -5.305 -17.322 1.00 0.00 H new ATOM 0 HD2 PRO A 104 90.217 -7.472 -15.255 1.00 0.00 H new ATOM 0 HD3 PRO A 104 88.903 -6.378 -15.640 1.00 0.00 H new ATOM 1621 N GLU A 105 89.688 -10.424 -18.938 1.00 0.00 N ATOM 1622 CA GLU A 105 90.184 -11.820 -19.113 1.00 0.00 C ATOM 1623 C GLU A 105 91.367 -11.849 -20.085 1.00 0.00 C ATOM 1624 O GLU A 105 92.211 -12.722 -20.024 1.00 0.00 O ATOM 1625 CB GLU A 105 88.997 -12.590 -19.692 1.00 0.00 C ATOM 1626 CG GLU A 105 88.785 -13.879 -18.896 1.00 0.00 C ATOM 1627 CD GLU A 105 87.288 -14.173 -18.787 1.00 0.00 C ATOM 1628 OE1 GLU A 105 86.697 -14.517 -19.797 1.00 0.00 O ATOM 1629 OE2 GLU A 105 86.759 -14.049 -17.694 1.00 0.00 O ATOM 0 H GLU A 105 88.734 -10.259 -19.260 1.00 0.00 H new ATOM 0 HA GLU A 105 90.536 -12.252 -18.176 1.00 0.00 H new ATOM 0 HB2 GLU A 105 88.098 -11.975 -19.654 1.00 0.00 H new ATOM 0 HB3 GLU A 105 89.179 -12.824 -20.741 1.00 0.00 H new ATOM 0 HG2 GLU A 105 89.294 -14.709 -19.386 1.00 0.00 H new ATOM 0 HG3 GLU A 105 89.220 -13.780 -17.901 1.00 0.00 H new ATOM 1636 N PHE A 106 91.435 -10.907 -20.985 1.00 0.00 N ATOM 1637 CA PHE A 106 92.561 -10.888 -21.960 1.00 0.00 C ATOM 1638 C PHE A 106 93.686 -9.975 -21.460 1.00 0.00 C ATOM 1639 O PHE A 106 94.284 -9.240 -22.220 1.00 0.00 O ATOM 1640 CB PHE A 106 91.957 -10.337 -23.251 1.00 0.00 C ATOM 1641 CG PHE A 106 91.572 -11.484 -24.153 1.00 0.00 C ATOM 1642 CD1 PHE A 106 91.116 -12.686 -23.600 1.00 0.00 C ATOM 1643 CD2 PHE A 106 91.673 -11.347 -25.543 1.00 0.00 C ATOM 1644 CE1 PHE A 106 90.759 -13.751 -24.435 1.00 0.00 C ATOM 1645 CE2 PHE A 106 91.316 -12.412 -26.380 1.00 0.00 C ATOM 1646 CZ PHE A 106 90.860 -13.614 -25.825 1.00 0.00 C ATOM 0 H PHE A 106 90.759 -10.150 -21.087 1.00 0.00 H new ATOM 0 HA PHE A 106 92.998 -11.876 -22.102 1.00 0.00 H new ATOM 0 HB2 PHE A 106 91.082 -9.728 -23.025 1.00 0.00 H new ATOM 0 HB3 PHE A 106 92.675 -9.689 -23.754 1.00 0.00 H new ATOM 0 HD1 PHE A 106 91.040 -12.792 -22.528 1.00 0.00 H new ATOM 0 HD2 PHE A 106 92.026 -10.420 -25.970 1.00 0.00 H new ATOM 0 HE1 PHE A 106 90.406 -14.678 -24.008 1.00 0.00 H new ATOM 0 HE2 PHE A 106 91.392 -12.306 -27.452 1.00 0.00 H new ATOM 0 HZ PHE A 106 90.586 -14.436 -26.469 1.00 0.00 H new ATOM 1656 N ILE A 107 93.979 -10.017 -20.189 1.00 0.00 N ATOM 1657 CA ILE A 107 95.065 -9.155 -19.647 1.00 0.00 C ATOM 1658 C ILE A 107 95.611 -9.747 -18.344 1.00 0.00 C ATOM 1659 O ILE A 107 96.805 -9.856 -18.153 1.00 0.00 O ATOM 1660 CB ILE A 107 94.405 -7.802 -19.385 1.00 0.00 C ATOM 1661 CG1 ILE A 107 93.984 -7.173 -20.716 1.00 0.00 C ATOM 1662 CG2 ILE A 107 95.400 -6.879 -18.679 1.00 0.00 C ATOM 1663 CD1 ILE A 107 93.606 -5.707 -20.493 1.00 0.00 C ATOM 0 H ILE A 107 93.513 -10.611 -19.503 1.00 0.00 H new ATOM 0 HA ILE A 107 95.906 -9.071 -20.335 1.00 0.00 H new ATOM 0 HB ILE A 107 93.527 -7.942 -18.755 1.00 0.00 H new ATOM 0 HG12 ILE A 107 94.798 -7.244 -21.437 1.00 0.00 H new ATOM 0 HG13 ILE A 107 93.138 -7.717 -21.136 1.00 0.00 H new ATOM 0 HG21 ILE A 107 94.931 -5.913 -18.491 1.00 0.00 H new ATOM 0 HG22 ILE A 107 95.702 -7.326 -17.732 1.00 0.00 H new ATOM 0 HG23 ILE A 107 96.278 -6.739 -19.310 1.00 0.00 H new ATOM 0 HD11 ILE A 107 93.307 -5.260 -21.441 1.00 0.00 H new ATOM 0 HD12 ILE A 107 92.778 -5.648 -19.786 1.00 0.00 H new ATOM 0 HD13 ILE A 107 94.464 -5.167 -20.092 1.00 0.00 H new ATOM 1675 N VAL A 108 94.744 -10.127 -17.446 1.00 0.00 N ATOM 1676 CA VAL A 108 95.213 -10.710 -16.157 1.00 0.00 C ATOM 1677 C VAL A 108 95.994 -12.001 -16.410 1.00 0.00 C ATOM 1678 O VAL A 108 95.655 -12.784 -17.276 1.00 0.00 O ATOM 1679 CB VAL A 108 93.936 -11.000 -15.370 1.00 0.00 C ATOM 1680 CG1 VAL A 108 94.297 -11.623 -14.020 1.00 0.00 C ATOM 1681 CG2 VAL A 108 93.174 -9.693 -15.140 1.00 0.00 C ATOM 0 H VAL A 108 93.731 -10.059 -17.549 1.00 0.00 H new ATOM 0 HA VAL A 108 95.882 -10.039 -15.619 1.00 0.00 H new ATOM 0 HB VAL A 108 93.311 -11.693 -15.933 1.00 0.00 H new ATOM 0 HG11 VAL A 108 93.385 -11.830 -13.459 1.00 0.00 H new ATOM 0 HG12 VAL A 108 94.842 -12.553 -14.182 1.00 0.00 H new ATOM 0 HG13 VAL A 108 94.921 -10.931 -13.455 1.00 0.00 H new ATOM 0 HG21 VAL A 108 92.262 -9.897 -14.579 1.00 0.00 H new ATOM 0 HG22 VAL A 108 93.800 -9.001 -14.576 1.00 0.00 H new ATOM 0 HG23 VAL A 108 92.916 -9.248 -16.101 1.00 0.00 H new ATOM 1691 N THR A 109 97.039 -12.231 -15.662 1.00 0.00 N ATOM 1692 CA THR A 109 97.840 -13.472 -15.862 1.00 0.00 C ATOM 1693 C THR A 109 97.579 -14.459 -14.721 1.00 0.00 C ATOM 1694 O THR A 109 97.384 -15.638 -14.940 1.00 0.00 O ATOM 1695 CB THR A 109 99.297 -13.009 -15.849 1.00 0.00 C ATOM 1696 OG1 THR A 109 99.516 -12.111 -16.927 1.00 0.00 O ATOM 1697 CG2 THR A 109 100.221 -14.220 -15.994 1.00 0.00 C ATOM 0 H THR A 109 97.372 -11.614 -14.922 1.00 0.00 H new ATOM 0 HA THR A 109 97.584 -13.985 -16.789 1.00 0.00 H new ATOM 0 HB THR A 109 99.510 -12.504 -14.907 1.00 0.00 H new ATOM 0 HG1 THR A 109 100.449 -11.812 -16.919 1.00 0.00 H new ATOM 0 HG21 THR A 109 101.259 -13.889 -15.985 1.00 0.00 H new ATOM 0 HG22 THR A 109 100.052 -14.908 -15.165 1.00 0.00 H new ATOM 0 HG23 THR A 109 100.011 -14.728 -16.935 1.00 0.00 H new ATOM 1705 N ASP A 110 97.576 -13.989 -13.504 1.00 0.00 N ATOM 1706 CA ASP A 110 97.329 -14.902 -12.352 1.00 0.00 C ATOM 1707 C ASP A 110 98.291 -16.092 -12.405 1.00 0.00 C ATOM 1708 O ASP A 110 98.092 -17.024 -11.644 1.00 0.00 O ATOM 1709 CB ASP A 110 95.884 -15.372 -12.522 1.00 0.00 C ATOM 1710 CG ASP A 110 94.931 -14.205 -12.254 1.00 0.00 C ATOM 1711 OD1 ASP A 110 95.416 -13.130 -11.942 1.00 0.00 O ATOM 1712 OD2 ASP A 110 93.733 -14.407 -12.367 1.00 0.00 O ATOM 1713 OXT ASP A 110 99.209 -16.050 -13.208 1.00 0.00 O ATOM 0 H ASP A 110 97.734 -13.012 -13.257 1.00 0.00 H new ATOM 0 HA ASP A 110 97.487 -14.409 -11.393 1.00 0.00 H new ATOM 0 HB2 ASP A 110 95.732 -15.755 -13.531 1.00 0.00 H new ATOM 0 HB3 ASP A 110 95.674 -16.192 -11.835 1.00 0.00 H new TER 1718 ASP A 110 HETATM 1719 CA CA A 111 74.948 0.092 8.492 1.00 0.00 CA