USER MOD reduce.3.24.130724 H: found=0, std=0, add=655, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 652 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 87 HIS : no HD1:sc= -6.52! C(o=-7.4!,f=-11!) USER MOD Set 1.2: A 88 THR OG1 : rot 180:sc= -0.895 USER MOD Single : A 5 HIS :FLIP no HD1:sc= -1.58 F(o=-2.4,f=-1.6) USER MOD Single : A 6 HIS : no HD1:sc=-0.00812 X(o=-0.0081,f=-0.15) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 78:sc= -0.177! USER MOD Single : A 12 ASN : amide:sc= -0.0325 X(o=-0.033,f=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot -80:sc= -0.22 USER MOD Single : A 17 ASN : amide:sc= -0.298 K(o=-0.3,f=-3.8!) USER MOD Single : A 19 ASN :FLIP amide:sc= -0.182 F(o=-2.5!,f=-0.18) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN :FLIP amide:sc= -0.0746 F(o=-1.9!,f=-0.075) USER MOD Single : A 28 LYS NZ :NH3+ -108:sc= -1.67! (180deg=-3.9!) USER MOD Single : A 32 THR OG1 : rot 91:sc= 0.0165 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 CYS SG : rot -175:sc= -5.81! USER MOD Single : A 47 SER OG : rot -150:sc= -1.39 USER MOD Single : A 55 LYS NZ :NH3+ 166:sc= -4.66! (180deg=-4.94!) USER MOD Single : A 56 HIS :FLIP no HD1:sc= -0.121 F(o=-0.7,f=-0.12) USER MOD Single : A 57 CYS SG : rot 180:sc= 0 USER MOD Single : A 60 ASN :FLIP amide:sc= -0.322 F(o=-3.7,f=-0.32) USER MOD Single : A 77 SER OG : rot 180:sc= -0.0198 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 HIS : no HE2:sc= -1.57! C(o=-1.6!,f=-8.9!) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= -2.26 K(o=-2.3,f=-9.9!) USER MOD Single : A 89 SER OG : rot -5:sc= -2.06! USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 94 ASN :FLIP amide:sc= -0.0286 F(o=-1.4!,f=-0.029) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 98 ASN :FLIP amide:sc= -2.7! C(o=-3.5!,f=-2.7!) USER MOD Single : A 100 THR OG1 : rot 147:sc= 0.125 USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 30 N LEU A 3 92.723 -1.137 -14.434 1.00 0.00 N ATOM 31 CA LEU A 3 92.642 -1.085 -12.946 1.00 0.00 C ATOM 32 C LEU A 3 91.339 -1.742 -12.490 1.00 0.00 C ATOM 33 O LEU A 3 90.266 -1.300 -12.853 1.00 0.00 O ATOM 34 CB LEU A 3 92.643 0.373 -12.490 1.00 0.00 C ATOM 35 CG LEU A 3 93.970 1.020 -12.883 1.00 0.00 C ATOM 36 CD1 LEU A 3 93.896 2.528 -12.656 1.00 0.00 C ATOM 37 CD2 LEU A 3 95.093 0.437 -12.024 1.00 0.00 C ATOM 0 HA LEU A 3 93.496 -1.609 -12.517 1.00 0.00 H new ATOM 0 HB2 LEU A 3 91.813 0.911 -12.948 1.00 0.00 H new ATOM 0 HB3 LEU A 3 92.503 0.429 -11.411 1.00 0.00 H new ATOM 0 HG LEU A 3 94.169 0.821 -13.936 1.00 0.00 H new ATOM 0 HD11 LEU A 3 94.845 2.985 -12.938 1.00 0.00 H new ATOM 0 HD12 LEU A 3 93.096 2.949 -13.265 1.00 0.00 H new ATOM 0 HD13 LEU A 3 93.695 2.728 -11.604 1.00 0.00 H new ATOM 0 HD21 LEU A 3 96.041 0.897 -12.303 1.00 0.00 H new ATOM 0 HD22 LEU A 3 94.888 0.637 -10.972 1.00 0.00 H new ATOM 0 HD23 LEU A 3 95.152 -0.640 -12.184 1.00 0.00 H new ATOM 49 N PRO A 4 91.410 -2.780 -11.696 1.00 0.00 N ATOM 50 CA PRO A 4 90.194 -3.467 -11.200 1.00 0.00 C ATOM 51 C PRO A 4 89.273 -2.506 -10.450 1.00 0.00 C ATOM 52 O PRO A 4 88.154 -2.837 -10.116 1.00 0.00 O ATOM 53 CB PRO A 4 90.704 -4.560 -10.260 1.00 0.00 C ATOM 54 CG PRO A 4 92.169 -4.685 -10.504 1.00 0.00 C ATOM 55 CD PRO A 4 92.640 -3.401 -11.190 1.00 0.00 C ATOM 0 HA PRO A 4 89.605 -3.871 -12.024 1.00 0.00 H new ATOM 0 HB2 PRO A 4 90.506 -4.300 -9.220 1.00 0.00 H new ATOM 0 HB3 PRO A 4 90.197 -5.505 -10.454 1.00 0.00 H new ATOM 0 HG2 PRO A 4 92.701 -4.834 -9.565 1.00 0.00 H new ATOM 0 HG3 PRO A 4 92.379 -5.552 -11.130 1.00 0.00 H new ATOM 0 HD2 PRO A 4 93.157 -2.744 -10.490 1.00 0.00 H new ATOM 0 HD3 PRO A 4 93.337 -3.617 -11.999 1.00 0.00 H new ATOM 63 N HIS A 5 89.736 -1.314 -10.184 1.00 0.00 N ATOM 64 CA HIS A 5 88.879 -0.333 -9.463 1.00 0.00 C ATOM 65 C HIS A 5 87.630 -0.079 -10.300 1.00 0.00 C ATOM 66 O HIS A 5 86.566 0.215 -9.789 1.00 0.00 O ATOM 67 CB HIS A 5 89.650 0.978 -9.273 1.00 0.00 C ATOM 68 CG HIS A 5 90.811 0.737 -8.349 1.00 0.00 C ATOM 69 ND1 HIS A 5 92.161 0.951 -8.493 1.00 0.00 N flip ATOM 70 CD2 HIS A 5 90.646 0.200 -7.082 1.00 0.00 C flip ATOM 71 CE1 HIS A 5 92.824 0.549 -7.337 1.00 0.00 C flip ATOM 72 NE2 HIS A 5 91.864 0.103 -6.520 1.00 0.00 N flip ATOM 0 H HIS A 5 90.667 -0.980 -10.434 1.00 0.00 H new ATOM 0 HA HIS A 5 88.600 -0.724 -8.484 1.00 0.00 H new ATOM 0 HB2 HIS A 5 90.005 1.348 -10.235 1.00 0.00 H new ATOM 0 HB3 HIS A 5 88.993 1.744 -8.860 1.00 0.00 H new ATOM 0 HD2 HIS A 5 89.709 -0.088 -6.628 1.00 0.00 H new ATOM 0 HE1 HIS A 5 93.885 0.589 -7.142 1.00 0.00 H new ATOM 0 HE2 HIS A 5 92.035 -0.266 -5.584 1.00 0.00 H new ATOM 80 N HIS A 6 87.753 -0.205 -11.592 1.00 0.00 N ATOM 81 CA HIS A 6 86.583 0.008 -12.478 1.00 0.00 C ATOM 82 C HIS A 6 85.583 -1.117 -12.237 1.00 0.00 C ATOM 83 O HIS A 6 84.406 -0.979 -12.494 1.00 0.00 O ATOM 84 CB HIS A 6 87.033 -0.013 -13.938 1.00 0.00 C ATOM 85 CG HIS A 6 87.872 1.199 -14.210 1.00 0.00 C ATOM 86 ND1 HIS A 6 87.391 2.486 -14.035 1.00 0.00 N ATOM 87 CD2 HIS A 6 89.162 1.337 -14.654 1.00 0.00 C ATOM 88 CE1 HIS A 6 88.377 3.337 -14.371 1.00 0.00 C ATOM 89 NE2 HIS A 6 89.480 2.687 -14.754 1.00 0.00 N ATOM 0 H HIS A 6 88.620 -0.448 -12.071 1.00 0.00 H new ATOM 0 HA HIS A 6 86.123 0.972 -12.263 1.00 0.00 H new ATOM 0 HB2 HIS A 6 87.604 -0.919 -14.143 1.00 0.00 H new ATOM 0 HB3 HIS A 6 86.166 -0.026 -14.599 1.00 0.00 H new ATOM 0 HD2 HIS A 6 89.829 0.521 -14.890 1.00 0.00 H new ATOM 0 HE1 HIS A 6 88.288 4.413 -14.336 1.00 0.00 H new ATOM 0 HE2 HIS A 6 90.365 3.094 -15.055 1.00 0.00 H new ATOM 97 N ASP A 7 86.051 -2.231 -11.736 1.00 0.00 N ATOM 98 CA ASP A 7 85.129 -3.366 -11.472 1.00 0.00 C ATOM 99 C ASP A 7 84.581 -3.254 -10.051 1.00 0.00 C ATOM 100 O ASP A 7 85.317 -3.243 -9.087 1.00 0.00 O ATOM 101 CB ASP A 7 85.872 -4.698 -11.636 1.00 0.00 C ATOM 102 CG ASP A 7 86.312 -4.860 -13.091 1.00 0.00 C ATOM 103 OD1 ASP A 7 85.660 -4.293 -13.950 1.00 0.00 O ATOM 104 OD2 ASP A 7 87.293 -5.547 -13.320 1.00 0.00 O ATOM 0 H ASP A 7 87.029 -2.400 -11.500 1.00 0.00 H new ATOM 0 HA ASP A 7 84.305 -3.332 -12.185 1.00 0.00 H new ATOM 0 HB2 ASP A 7 86.740 -4.726 -10.977 1.00 0.00 H new ATOM 0 HB3 ASP A 7 85.225 -5.526 -11.346 1.00 0.00 H new ATOM 109 N GLU A 8 83.289 -3.161 -9.919 1.00 0.00 N ATOM 110 CA GLU A 8 82.673 -3.039 -8.573 1.00 0.00 C ATOM 111 C GLU A 8 82.861 -4.332 -7.786 1.00 0.00 C ATOM 112 O GLU A 8 82.941 -4.328 -6.577 1.00 0.00 O ATOM 113 CB GLU A 8 81.184 -2.758 -8.754 1.00 0.00 C ATOM 114 CG GLU A 8 80.553 -2.479 -7.400 1.00 0.00 C ATOM 115 CD GLU A 8 79.214 -1.770 -7.597 1.00 0.00 C ATOM 116 OE1 GLU A 8 79.062 -1.107 -8.610 1.00 0.00 O ATOM 117 OE2 GLU A 8 78.364 -1.903 -6.733 1.00 0.00 O ATOM 0 H GLU A 8 82.627 -3.164 -10.695 1.00 0.00 H new ATOM 0 HA GLU A 8 83.149 -2.229 -8.020 1.00 0.00 H new ATOM 0 HB2 GLU A 8 81.042 -1.904 -9.416 1.00 0.00 H new ATOM 0 HB3 GLU A 8 80.697 -3.611 -9.225 1.00 0.00 H new ATOM 0 HG2 GLU A 8 80.406 -3.412 -6.857 1.00 0.00 H new ATOM 0 HG3 GLU A 8 81.218 -1.861 -6.797 1.00 0.00 H new ATOM 124 N LYS A 9 82.910 -5.437 -8.459 1.00 0.00 N ATOM 125 CA LYS A 9 83.065 -6.741 -7.757 1.00 0.00 C ATOM 126 C LYS A 9 84.397 -6.824 -7.014 1.00 0.00 C ATOM 127 O LYS A 9 84.513 -7.498 -6.012 1.00 0.00 O ATOM 128 CB LYS A 9 83.036 -7.866 -8.790 1.00 0.00 C ATOM 129 CG LYS A 9 81.594 -8.172 -9.205 1.00 0.00 C ATOM 130 CD LYS A 9 81.346 -7.709 -10.650 1.00 0.00 C ATOM 131 CE LYS A 9 81.305 -6.178 -10.717 1.00 0.00 C ATOM 132 NZ LYS A 9 80.354 -5.754 -11.791 1.00 0.00 N ATOM 0 H LYS A 9 82.849 -5.499 -9.475 1.00 0.00 H new ATOM 0 HA LYS A 9 82.251 -6.833 -7.038 1.00 0.00 H new ATOM 0 HB2 LYS A 9 83.620 -7.580 -9.665 1.00 0.00 H new ATOM 0 HB3 LYS A 9 83.500 -8.761 -8.375 1.00 0.00 H new ATOM 0 HG2 LYS A 9 81.403 -9.242 -9.121 1.00 0.00 H new ATOM 0 HG3 LYS A 9 80.900 -7.670 -8.531 1.00 0.00 H new ATOM 0 HD2 LYS A 9 82.134 -8.088 -11.301 1.00 0.00 H new ATOM 0 HD3 LYS A 9 80.405 -8.121 -11.015 1.00 0.00 H new ATOM 0 HE2 LYS A 9 80.992 -5.769 -9.756 1.00 0.00 H new ATOM 0 HE3 LYS A 9 82.301 -5.785 -10.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 80.324 -4.715 -11.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 80.672 -6.133 -12.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 79.404 -6.118 -11.577 1.00 0.00 H new ATOM 146 N THR A 10 85.408 -6.193 -7.519 1.00 0.00 N ATOM 147 CA THR A 10 86.740 -6.301 -6.864 1.00 0.00 C ATOM 148 C THR A 10 86.744 -5.643 -5.478 1.00 0.00 C ATOM 149 O THR A 10 87.478 -6.053 -4.602 1.00 0.00 O ATOM 150 CB THR A 10 87.787 -5.652 -7.768 1.00 0.00 C ATOM 151 OG1 THR A 10 87.141 -5.096 -8.899 1.00 0.00 O ATOM 152 CG2 THR A 10 88.812 -6.691 -8.231 1.00 0.00 C ATOM 0 H THR A 10 85.376 -5.608 -8.354 1.00 0.00 H new ATOM 0 HA THR A 10 86.976 -7.355 -6.718 1.00 0.00 H new ATOM 0 HB THR A 10 88.305 -4.872 -7.209 1.00 0.00 H new ATOM 0 HG1 THR A 10 86.715 -4.250 -8.649 1.00 0.00 H new ATOM 0 HG21 THR A 10 89.550 -6.212 -8.874 1.00 0.00 H new ATOM 0 HG22 THR A 10 89.311 -7.121 -7.363 1.00 0.00 H new ATOM 0 HG23 THR A 10 88.305 -7.480 -8.786 1.00 0.00 H new ATOM 160 N TRP A 11 85.946 -4.637 -5.259 1.00 0.00 N ATOM 161 CA TRP A 11 85.941 -3.984 -3.910 1.00 0.00 C ATOM 162 C TRP A 11 84.538 -4.008 -3.307 1.00 0.00 C ATOM 163 O TRP A 11 84.344 -3.644 -2.166 1.00 0.00 O ATOM 164 CB TRP A 11 86.393 -2.529 -4.040 1.00 0.00 C ATOM 165 CG TRP A 11 86.066 -2.031 -5.408 1.00 0.00 C ATOM 166 CD1 TRP A 11 86.689 -2.428 -6.531 1.00 0.00 C ATOM 167 CD2 TRP A 11 85.066 -1.060 -5.819 1.00 0.00 C ATOM 168 NE1 TRP A 11 86.140 -1.771 -7.608 1.00 0.00 N ATOM 169 CE2 TRP A 11 85.137 -0.908 -7.222 1.00 0.00 C ATOM 170 CE3 TRP A 11 84.119 -0.300 -5.120 1.00 0.00 C ATOM 171 CZ2 TRP A 11 84.296 -0.037 -7.910 1.00 0.00 C ATOM 172 CZ3 TRP A 11 83.266 0.578 -5.808 1.00 0.00 C ATOM 173 CH2 TRP A 11 83.360 0.713 -7.200 1.00 0.00 C ATOM 0 H TRP A 11 85.302 -4.238 -5.943 1.00 0.00 H new ATOM 0 HA TRP A 11 86.622 -4.534 -3.261 1.00 0.00 H new ATOM 0 HB2 TRP A 11 85.898 -1.914 -3.289 1.00 0.00 H new ATOM 0 HB3 TRP A 11 87.465 -2.452 -3.859 1.00 0.00 H new ATOM 0 HD1 TRP A 11 87.492 -3.148 -6.580 1.00 0.00 H new ATOM 0 HE1 TRP A 11 86.439 -1.906 -8.574 1.00 0.00 H new ATOM 0 HE3 TRP A 11 84.045 -0.390 -4.046 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 84.368 0.056 -8.984 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 82.533 1.153 -5.261 1.00 0.00 H new ATOM 0 HH2 TRP A 11 82.708 1.398 -7.722 1.00 0.00 H new ATOM 184 N ASN A 12 83.557 -4.404 -4.061 1.00 0.00 N ATOM 185 CA ASN A 12 82.168 -4.415 -3.521 1.00 0.00 C ATOM 186 C ASN A 12 81.786 -5.819 -3.043 1.00 0.00 C ATOM 187 O ASN A 12 81.739 -6.759 -3.811 1.00 0.00 O ATOM 188 CB ASN A 12 81.211 -3.975 -4.619 1.00 0.00 C ATOM 189 CG ASN A 12 79.814 -3.777 -4.040 1.00 0.00 C ATOM 190 OD1 ASN A 12 78.869 -4.394 -4.491 1.00 0.00 O ATOM 191 ND2 ASN A 12 79.637 -2.946 -3.050 1.00 0.00 N ATOM 0 H ASN A 12 83.653 -4.720 -5.026 1.00 0.00 H new ATOM 0 HA ASN A 12 82.109 -3.733 -2.673 1.00 0.00 H new ATOM 0 HB2 ASN A 12 81.562 -3.047 -5.070 1.00 0.00 H new ATOM 0 HB3 ASN A 12 81.183 -4.723 -5.411 1.00 0.00 H new ATOM 0 HD21 ASN A 12 78.706 -2.814 -2.655 1.00 0.00 H new ATOM 0 HD22 ASN A 12 80.430 -2.428 -2.671 1.00 0.00 H new ATOM 198 N VAL A 13 81.502 -5.958 -1.779 1.00 0.00 N ATOM 199 CA VAL A 13 81.110 -7.289 -1.233 1.00 0.00 C ATOM 200 C VAL A 13 79.984 -7.102 -0.211 1.00 0.00 C ATOM 201 O VAL A 13 79.830 -7.878 0.711 1.00 0.00 O ATOM 202 CB VAL A 13 82.314 -7.927 -0.547 1.00 0.00 C ATOM 203 CG1 VAL A 13 83.325 -8.392 -1.598 1.00 0.00 C ATOM 204 CG2 VAL A 13 82.970 -6.897 0.371 1.00 0.00 C ATOM 0 H VAL A 13 81.524 -5.202 -1.095 1.00 0.00 H new ATOM 0 HA VAL A 13 80.768 -7.933 -2.043 1.00 0.00 H new ATOM 0 HB VAL A 13 81.986 -8.787 0.037 1.00 0.00 H new ATOM 0 HG11 VAL A 13 84.182 -8.847 -1.102 1.00 0.00 H new ATOM 0 HG12 VAL A 13 82.856 -9.124 -2.255 1.00 0.00 H new ATOM 0 HG13 VAL A 13 83.658 -7.537 -2.186 1.00 0.00 H new ATOM 0 HG21 VAL A 13 83.832 -7.346 0.865 1.00 0.00 H new ATOM 0 HG22 VAL A 13 83.296 -6.040 -0.218 1.00 0.00 H new ATOM 0 HG23 VAL A 13 82.251 -6.569 1.122 1.00 0.00 H new ATOM 214 N GLY A 14 79.207 -6.066 -0.371 1.00 0.00 N ATOM 215 CA GLY A 14 78.091 -5.796 0.585 1.00 0.00 C ATOM 216 C GLY A 14 77.387 -7.101 0.946 1.00 0.00 C ATOM 217 O GLY A 14 76.867 -7.257 2.035 1.00 0.00 O ATOM 0 H GLY A 14 79.297 -5.389 -1.128 1.00 0.00 H new ATOM 0 HA2 GLY A 14 78.480 -5.321 1.486 1.00 0.00 H new ATOM 0 HA3 GLY A 14 77.380 -5.100 0.140 1.00 0.00 H new ATOM 221 N SER A 15 77.366 -8.040 0.044 1.00 0.00 N ATOM 222 CA SER A 15 76.692 -9.340 0.330 1.00 0.00 C ATOM 223 C SER A 15 77.365 -9.989 1.539 1.00 0.00 C ATOM 224 O SER A 15 76.732 -10.643 2.344 1.00 0.00 O ATOM 225 CB SER A 15 76.817 -10.254 -0.893 1.00 0.00 C ATOM 226 OG SER A 15 76.044 -11.428 -0.686 1.00 0.00 O ATOM 0 H SER A 15 77.787 -7.965 -0.882 1.00 0.00 H new ATOM 0 HA SER A 15 75.636 -9.177 0.546 1.00 0.00 H new ATOM 0 HB2 SER A 15 76.474 -9.733 -1.787 1.00 0.00 H new ATOM 0 HB3 SER A 15 77.862 -10.518 -1.058 1.00 0.00 H new ATOM 0 HG SER A 15 76.122 -12.013 -1.468 1.00 0.00 H new ATOM 232 N SER A 16 78.647 -9.801 1.662 1.00 0.00 N ATOM 233 CA SER A 16 79.401 -10.386 2.805 1.00 0.00 C ATOM 234 C SER A 16 78.862 -9.853 4.138 1.00 0.00 C ATOM 235 O SER A 16 78.511 -8.696 4.266 1.00 0.00 O ATOM 236 CB SER A 16 80.871 -9.996 2.672 1.00 0.00 C ATOM 237 OG SER A 16 81.428 -10.630 1.525 1.00 0.00 O ATOM 0 H SER A 16 79.214 -9.259 1.010 1.00 0.00 H new ATOM 0 HA SER A 16 79.287 -11.470 2.789 1.00 0.00 H new ATOM 0 HB2 SER A 16 80.965 -8.914 2.584 1.00 0.00 H new ATOM 0 HB3 SER A 16 81.419 -10.292 3.566 1.00 0.00 H new ATOM 0 HG SER A 16 81.652 -11.559 1.741 1.00 0.00 H new ATOM 243 N ASN A 17 78.811 -10.700 5.135 1.00 0.00 N ATOM 244 CA ASN A 17 78.311 -10.263 6.470 1.00 0.00 C ATOM 245 C ASN A 17 79.415 -9.521 7.210 1.00 0.00 C ATOM 246 O ASN A 17 80.579 -9.611 6.874 1.00 0.00 O ATOM 247 CB ASN A 17 77.883 -11.472 7.300 1.00 0.00 C ATOM 248 CG ASN A 17 77.142 -10.969 8.537 1.00 0.00 C ATOM 249 OD1 ASN A 17 76.493 -9.944 8.492 1.00 0.00 O ATOM 250 ND2 ASN A 17 77.218 -11.645 9.648 1.00 0.00 N ATOM 0 H ASN A 17 79.095 -11.678 5.080 1.00 0.00 H new ATOM 0 HA ASN A 17 77.453 -9.607 6.323 1.00 0.00 H new ATOM 0 HB2 ASN A 17 77.239 -12.127 6.712 1.00 0.00 H new ATOM 0 HB3 ASN A 17 78.754 -12.059 7.592 1.00 0.00 H new ATOM 0 HD21 ASN A 17 76.732 -11.313 10.481 1.00 0.00 H new ATOM 0 HD22 ASN A 17 77.764 -12.506 9.685 1.00 0.00 H new ATOM 257 N ARG A 18 79.061 -8.780 8.215 1.00 0.00 N ATOM 258 CA ARG A 18 80.096 -8.034 8.964 1.00 0.00 C ATOM 259 C ARG A 18 81.138 -9.027 9.494 1.00 0.00 C ATOM 260 O ARG A 18 82.331 -8.808 9.385 1.00 0.00 O ATOM 261 CB ARG A 18 79.439 -7.292 10.126 1.00 0.00 C ATOM 262 CG ARG A 18 80.440 -6.309 10.720 1.00 0.00 C ATOM 263 CD ARG A 18 79.766 -5.493 11.825 1.00 0.00 C ATOM 264 NE ARG A 18 79.902 -6.199 13.129 1.00 0.00 N ATOM 265 CZ ARG A 18 79.724 -5.546 14.247 1.00 0.00 C ATOM 266 NH1 ARG A 18 79.499 -4.261 14.234 1.00 0.00 N ATOM 267 NH2 ARG A 18 79.786 -6.174 15.386 1.00 0.00 N ATOM 0 H ARG A 18 78.104 -8.660 8.548 1.00 0.00 H new ATOM 0 HA ARG A 18 80.585 -7.311 8.312 1.00 0.00 H new ATOM 0 HB2 ARG A 18 78.552 -6.762 9.780 1.00 0.00 H new ATOM 0 HB3 ARG A 18 79.111 -8.000 10.887 1.00 0.00 H new ATOM 0 HG2 ARG A 18 81.298 -6.847 11.123 1.00 0.00 H new ATOM 0 HG3 ARG A 18 80.818 -5.645 9.943 1.00 0.00 H new ATOM 0 HD2 ARG A 18 80.220 -4.504 11.888 1.00 0.00 H new ATOM 0 HD3 ARG A 18 78.712 -5.346 11.589 1.00 0.00 H new ATOM 0 HE ARG A 18 80.134 -7.192 13.150 1.00 0.00 H new ATOM 0 HH11 ARG A 18 79.461 -3.759 13.347 1.00 0.00 H new ATOM 0 HH12 ARG A 18 79.361 -3.759 15.111 1.00 0.00 H new ATOM 0 HH21 ARG A 18 79.974 -7.176 15.406 1.00 0.00 H new ATOM 0 HH22 ARG A 18 79.647 -5.664 16.258 1.00 0.00 H new ATOM 281 N ASN A 19 80.701 -10.125 10.048 1.00 0.00 N ATOM 282 CA ASN A 19 81.675 -11.128 10.558 1.00 0.00 C ATOM 283 C ASN A 19 82.521 -11.633 9.384 1.00 0.00 C ATOM 284 O ASN A 19 83.714 -11.838 9.499 1.00 0.00 O ATOM 285 CB ASN A 19 80.921 -12.291 11.203 1.00 0.00 C ATOM 286 CG ASN A 19 81.930 -13.216 11.883 1.00 0.00 C ATOM 287 OD1 ASN A 19 83.171 -12.830 11.988 1.00 0.00 O flip ATOM 288 ND2 ASN A 19 81.590 -14.299 12.318 1.00 0.00 N flip ATOM 0 H ASN A 19 79.718 -10.369 10.169 1.00 0.00 H new ATOM 0 HA ASN A 19 82.324 -10.674 11.307 1.00 0.00 H new ATOM 0 HB2 ASN A 19 80.202 -11.917 11.931 1.00 0.00 H new ATOM 0 HB3 ASN A 19 80.356 -12.839 10.449 1.00 0.00 H new ATOM 0 HD21 ASN A 19 80.619 -14.600 12.235 1.00 0.00 H new ATOM 0 HD22 ASN A 19 82.276 -14.907 12.766 1.00 0.00 H new ATOM 295 N LYS A 20 81.899 -11.823 8.256 1.00 0.00 N ATOM 296 CA LYS A 20 82.633 -12.302 7.053 1.00 0.00 C ATOM 297 C LYS A 20 83.668 -11.255 6.637 1.00 0.00 C ATOM 298 O LYS A 20 84.686 -11.569 6.052 1.00 0.00 O ATOM 299 CB LYS A 20 81.626 -12.531 5.920 1.00 0.00 C ATOM 300 CG LYS A 20 82.340 -13.099 4.691 1.00 0.00 C ATOM 301 CD LYS A 20 82.523 -14.608 4.860 1.00 0.00 C ATOM 302 CE LYS A 20 81.289 -15.328 4.316 1.00 0.00 C ATOM 303 NZ LYS A 20 81.399 -16.790 4.583 1.00 0.00 N ATOM 0 H LYS A 20 80.901 -11.665 8.114 1.00 0.00 H new ATOM 0 HA LYS A 20 83.149 -13.236 7.274 1.00 0.00 H new ATOM 0 HB2 LYS A 20 80.847 -13.219 6.248 1.00 0.00 H new ATOM 0 HB3 LYS A 20 81.135 -11.592 5.664 1.00 0.00 H new ATOM 0 HG2 LYS A 20 81.760 -12.891 3.792 1.00 0.00 H new ATOM 0 HG3 LYS A 20 83.309 -12.616 4.565 1.00 0.00 H new ATOM 0 HD2 LYS A 20 83.416 -14.940 4.330 1.00 0.00 H new ATOM 0 HD3 LYS A 20 82.668 -14.853 5.912 1.00 0.00 H new ATOM 0 HE2 LYS A 20 80.389 -14.930 4.784 1.00 0.00 H new ATOM 0 HE3 LYS A 20 81.196 -15.151 3.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 80.558 -17.275 4.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 82.249 -17.165 4.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 81.467 -16.952 5.608 1.00 0.00 H new ATOM 317 N ALA A 21 83.416 -10.010 6.937 1.00 0.00 N ATOM 318 CA ALA A 21 84.380 -8.937 6.567 1.00 0.00 C ATOM 319 C ALA A 21 85.713 -9.177 7.274 1.00 0.00 C ATOM 320 O ALA A 21 86.769 -9.075 6.682 1.00 0.00 O ATOM 321 CB ALA A 21 83.809 -7.586 7.000 1.00 0.00 C ATOM 0 H ALA A 21 82.580 -9.689 7.425 1.00 0.00 H new ATOM 0 HA ALA A 21 84.541 -8.943 5.489 1.00 0.00 H new ATOM 0 HB1 ALA A 21 84.508 -6.793 6.733 1.00 0.00 H new ATOM 0 HB2 ALA A 21 82.857 -7.415 6.497 1.00 0.00 H new ATOM 0 HB3 ALA A 21 83.654 -7.585 8.079 1.00 0.00 H new ATOM 327 N GLU A 22 85.683 -9.503 8.532 1.00 0.00 N ATOM 328 CA GLU A 22 86.966 -9.753 9.233 1.00 0.00 C ATOM 329 C GLU A 22 87.657 -10.913 8.532 1.00 0.00 C ATOM 330 O GLU A 22 88.847 -10.894 8.307 1.00 0.00 O ATOM 331 CB GLU A 22 86.715 -10.110 10.697 1.00 0.00 C ATOM 332 CG GLU A 22 86.205 -8.876 11.440 1.00 0.00 C ATOM 333 CD GLU A 22 85.857 -9.247 12.888 1.00 0.00 C ATOM 334 OE1 GLU A 22 86.052 -10.396 13.249 1.00 0.00 O ATOM 335 OE2 GLU A 22 85.399 -8.374 13.610 1.00 0.00 O ATOM 0 H GLU A 22 84.840 -9.606 9.097 1.00 0.00 H new ATOM 0 HA GLU A 22 87.588 -8.858 9.206 1.00 0.00 H new ATOM 0 HB2 GLU A 22 85.986 -10.917 10.766 1.00 0.00 H new ATOM 0 HB3 GLU A 22 87.635 -10.471 11.158 1.00 0.00 H new ATOM 0 HG2 GLU A 22 86.964 -8.094 11.428 1.00 0.00 H new ATOM 0 HG3 GLU A 22 85.325 -8.475 10.936 1.00 0.00 H new ATOM 342 N ASN A 23 86.910 -11.920 8.163 1.00 0.00 N ATOM 343 CA ASN A 23 87.522 -13.066 7.451 1.00 0.00 C ATOM 344 C ASN A 23 88.135 -12.535 6.158 1.00 0.00 C ATOM 345 O ASN A 23 89.234 -12.887 5.778 1.00 0.00 O ATOM 346 CB ASN A 23 86.451 -14.114 7.137 1.00 0.00 C ATOM 347 CG ASN A 23 86.013 -14.791 8.439 1.00 0.00 C ATOM 348 OD1 ASN A 23 86.737 -14.634 9.515 1.00 0.00 O flip ATOM 349 ND2 ASN A 23 85.002 -15.463 8.479 1.00 0.00 N flip ATOM 0 H ASN A 23 85.906 -11.993 8.326 1.00 0.00 H new ATOM 0 HA ASN A 23 88.288 -13.537 8.067 1.00 0.00 H new ATOM 0 HB2 ASN A 23 85.596 -13.643 6.652 1.00 0.00 H new ATOM 0 HB3 ASN A 23 86.844 -14.856 6.441 1.00 0.00 H new ATOM 0 HD21 ASN A 23 84.437 -15.585 7.638 1.00 0.00 H new ATOM 0 HD22 ASN A 23 84.718 -15.905 9.353 1.00 0.00 H new ATOM 356 N LEU A 24 87.432 -11.653 5.498 1.00 0.00 N ATOM 357 CA LEU A 24 87.962 -11.053 4.246 1.00 0.00 C ATOM 358 C LEU A 24 89.167 -10.181 4.597 1.00 0.00 C ATOM 359 O LEU A 24 90.075 -10.016 3.810 1.00 0.00 O ATOM 360 CB LEU A 24 86.873 -10.202 3.584 1.00 0.00 C ATOM 361 CG LEU A 24 85.794 -11.125 3.011 1.00 0.00 C ATOM 362 CD1 LEU A 24 84.558 -10.307 2.625 1.00 0.00 C ATOM 363 CD2 LEU A 24 86.343 -11.821 1.760 1.00 0.00 C ATOM 0 H LEU A 24 86.508 -11.323 5.777 1.00 0.00 H new ATOM 0 HA LEU A 24 88.265 -11.837 3.551 1.00 0.00 H new ATOM 0 HB2 LEU A 24 86.435 -9.519 4.312 1.00 0.00 H new ATOM 0 HB3 LEU A 24 87.304 -9.590 2.791 1.00 0.00 H new ATOM 0 HG LEU A 24 85.517 -11.865 3.762 1.00 0.00 H new ATOM 0 HD11 LEU A 24 83.795 -10.971 2.218 1.00 0.00 H new ATOM 0 HD12 LEU A 24 84.166 -9.801 3.508 1.00 0.00 H new ATOM 0 HD13 LEU A 24 84.832 -9.566 1.874 1.00 0.00 H new ATOM 0 HD21 LEU A 24 85.580 -12.480 1.346 1.00 0.00 H new ATOM 0 HD22 LEU A 24 86.617 -11.072 1.017 1.00 0.00 H new ATOM 0 HD23 LEU A 24 87.223 -12.407 2.026 1.00 0.00 H new ATOM 375 N LEU A 25 89.184 -9.627 5.781 1.00 0.00 N ATOM 376 CA LEU A 25 90.341 -8.776 6.188 1.00 0.00 C ATOM 377 C LEU A 25 91.400 -9.662 6.855 1.00 0.00 C ATOM 378 O LEU A 25 92.528 -9.259 7.055 1.00 0.00 O ATOM 379 CB LEU A 25 89.875 -7.726 7.203 1.00 0.00 C ATOM 380 CG LEU A 25 88.935 -6.726 6.530 1.00 0.00 C ATOM 381 CD1 LEU A 25 87.869 -6.276 7.532 1.00 0.00 C ATOM 382 CD2 LEU A 25 89.729 -5.502 6.079 1.00 0.00 C ATOM 0 H LEU A 25 88.449 -9.726 6.482 1.00 0.00 H new ATOM 0 HA LEU A 25 90.755 -8.282 5.309 1.00 0.00 H new ATOM 0 HB2 LEU A 25 89.365 -8.213 8.034 1.00 0.00 H new ATOM 0 HB3 LEU A 25 90.736 -7.204 7.619 1.00 0.00 H new ATOM 0 HG LEU A 25 88.463 -7.201 5.670 1.00 0.00 H new ATOM 0 HD11 LEU A 25 87.198 -5.563 7.053 1.00 0.00 H new ATOM 0 HD12 LEU A 25 87.298 -7.141 7.869 1.00 0.00 H new ATOM 0 HD13 LEU A 25 88.351 -5.803 8.388 1.00 0.00 H new ATOM 0 HD21 LEU A 25 89.058 -4.790 5.599 1.00 0.00 H new ATOM 0 HD22 LEU A 25 90.198 -5.033 6.944 1.00 0.00 H new ATOM 0 HD23 LEU A 25 90.499 -5.808 5.371 1.00 0.00 H new ATOM 394 N ARG A 26 91.032 -10.864 7.209 1.00 0.00 N ATOM 395 CA ARG A 26 91.990 -11.793 7.877 1.00 0.00 C ATOM 396 C ARG A 26 92.778 -12.608 6.838 1.00 0.00 C ATOM 397 O ARG A 26 92.210 -13.210 5.948 1.00 0.00 O ATOM 398 CB ARG A 26 91.201 -12.744 8.781 1.00 0.00 C ATOM 399 CG ARG A 26 91.458 -12.394 10.249 1.00 0.00 C ATOM 400 CD ARG A 26 90.839 -13.461 11.161 1.00 0.00 C ATOM 401 NE ARG A 26 91.373 -14.807 10.793 1.00 0.00 N ATOM 402 CZ ARG A 26 91.217 -15.821 11.603 1.00 0.00 C ATOM 403 NH1 ARG A 26 90.611 -15.653 12.747 1.00 0.00 N ATOM 404 NH2 ARG A 26 91.659 -17.004 11.263 1.00 0.00 N ATOM 0 H ARG A 26 90.098 -11.246 7.062 1.00 0.00 H new ATOM 0 HA ARG A 26 92.700 -11.211 8.464 1.00 0.00 H new ATOM 0 HB2 ARG A 26 90.136 -12.670 8.561 1.00 0.00 H new ATOM 0 HB3 ARG A 26 91.496 -13.775 8.586 1.00 0.00 H new ATOM 0 HG2 ARG A 26 92.530 -12.325 10.432 1.00 0.00 H new ATOM 0 HG3 ARG A 26 91.032 -11.417 10.478 1.00 0.00 H new ATOM 0 HD2 ARG A 26 91.069 -13.240 12.203 1.00 0.00 H new ATOM 0 HD3 ARG A 26 89.753 -13.451 11.065 1.00 0.00 H new ATOM 0 HE ARG A 26 91.861 -14.935 9.907 1.00 0.00 H new ATOM 0 HH11 ARG A 26 90.260 -14.731 13.008 1.00 0.00 H new ATOM 0 HH12 ARG A 26 90.488 -16.443 13.380 1.00 0.00 H new ATOM 0 HH21 ARG A 26 92.126 -17.136 10.366 1.00 0.00 H new ATOM 0 HH22 ARG A 26 91.537 -17.795 11.895 1.00 0.00 H new ATOM 418 N GLY A 27 94.083 -12.643 6.956 1.00 0.00 N ATOM 419 CA GLY A 27 94.903 -13.430 5.988 1.00 0.00 C ATOM 420 C GLY A 27 95.155 -12.602 4.727 1.00 0.00 C ATOM 421 O GLY A 27 95.744 -13.074 3.775 1.00 0.00 O ATOM 0 H GLY A 27 94.614 -12.160 7.681 1.00 0.00 H new ATOM 0 HA2 GLY A 27 95.852 -13.710 6.445 1.00 0.00 H new ATOM 0 HA3 GLY A 27 94.388 -14.355 5.729 1.00 0.00 H new ATOM 425 N LYS A 28 94.704 -11.375 4.706 1.00 0.00 N ATOM 426 CA LYS A 28 94.902 -10.526 3.500 1.00 0.00 C ATOM 427 C LYS A 28 96.026 -9.513 3.740 1.00 0.00 C ATOM 428 O LYS A 28 96.077 -8.834 4.747 1.00 0.00 O ATOM 429 CB LYS A 28 93.590 -9.809 3.194 1.00 0.00 C ATOM 430 CG LYS A 28 92.537 -10.856 2.844 1.00 0.00 C ATOM 431 CD LYS A 28 91.619 -10.318 1.749 1.00 0.00 C ATOM 432 CE LYS A 28 92.238 -10.647 0.396 1.00 0.00 C ATOM 433 NZ LYS A 28 91.385 -10.108 -0.697 1.00 0.00 N ATOM 0 H LYS A 28 94.206 -10.926 5.475 1.00 0.00 H new ATOM 0 HA LYS A 28 95.189 -11.147 2.651 1.00 0.00 H new ATOM 0 HB2 LYS A 28 93.269 -9.222 4.055 1.00 0.00 H new ATOM 0 HB3 LYS A 28 93.723 -9.113 2.365 1.00 0.00 H new ATOM 0 HG2 LYS A 28 93.020 -11.773 2.508 1.00 0.00 H new ATOM 0 HG3 LYS A 28 91.953 -11.109 3.729 1.00 0.00 H new ATOM 0 HD2 LYS A 28 90.628 -10.765 1.831 1.00 0.00 H new ATOM 0 HD3 LYS A 28 91.492 -9.241 1.856 1.00 0.00 H new ATOM 0 HE2 LYS A 28 93.239 -10.221 0.331 1.00 0.00 H new ATOM 0 HE3 LYS A 28 92.344 -11.726 0.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 90.903 -10.893 -1.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 90.676 -9.461 -0.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 91.978 -9.593 -1.379 1.00 0.00 H new ATOM 447 N ARG A 29 96.938 -9.426 2.817 1.00 0.00 N ATOM 448 CA ARG A 29 98.083 -8.483 2.969 1.00 0.00 C ATOM 449 C ARG A 29 97.575 -7.041 3.078 1.00 0.00 C ATOM 450 O ARG A 29 96.576 -6.673 2.491 1.00 0.00 O ATOM 451 CB ARG A 29 99.020 -8.615 1.761 1.00 0.00 C ATOM 452 CG ARG A 29 100.281 -7.770 1.992 1.00 0.00 C ATOM 453 CD ARG A 29 101.169 -7.824 0.748 1.00 0.00 C ATOM 454 NE ARG A 29 102.604 -8.026 1.139 1.00 0.00 N ATOM 455 CZ ARG A 29 103.129 -7.394 2.164 1.00 0.00 C ATOM 456 NH1 ARG A 29 102.432 -6.525 2.844 1.00 0.00 N ATOM 457 NH2 ARG A 29 104.373 -7.614 2.490 1.00 0.00 N ATOM 0 H ARG A 29 96.942 -9.971 1.955 1.00 0.00 H new ATOM 0 HA ARG A 29 98.627 -8.731 3.880 1.00 0.00 H new ATOM 0 HB2 ARG A 29 99.292 -9.660 1.612 1.00 0.00 H new ATOM 0 HB3 ARG A 29 98.511 -8.286 0.855 1.00 0.00 H new ATOM 0 HG2 ARG A 29 100.005 -6.738 2.210 1.00 0.00 H new ATOM 0 HG3 ARG A 29 100.828 -8.143 2.858 1.00 0.00 H new ATOM 0 HD2 ARG A 29 100.845 -8.636 0.097 1.00 0.00 H new ATOM 0 HD3 ARG A 29 101.067 -6.899 0.180 1.00 0.00 H new ATOM 0 HE ARG A 29 103.184 -8.667 0.598 1.00 0.00 H new ATOM 0 HH11 ARG A 29 101.466 -6.329 2.582 1.00 0.00 H new ATOM 0 HH12 ARG A 29 102.853 -6.042 3.638 1.00 0.00 H new ATOM 0 HH21 ARG A 29 104.933 -8.274 1.950 1.00 0.00 H new ATOM 0 HH22 ARG A 29 104.786 -7.126 3.285 1.00 0.00 H new ATOM 471 N ASP A 30 98.267 -6.221 3.825 1.00 0.00 N ATOM 472 CA ASP A 30 97.848 -4.797 3.976 1.00 0.00 C ATOM 473 C ASP A 30 97.606 -4.204 2.579 1.00 0.00 C ATOM 474 O ASP A 30 98.199 -4.633 1.609 1.00 0.00 O ATOM 475 CB ASP A 30 98.975 -4.028 4.670 1.00 0.00 C ATOM 476 CG ASP A 30 99.261 -4.670 6.031 1.00 0.00 C ATOM 477 OD1 ASP A 30 98.322 -4.861 6.785 1.00 0.00 O ATOM 478 OD2 ASP A 30 100.418 -4.965 6.292 1.00 0.00 O ATOM 0 H ASP A 30 99.109 -6.479 4.340 1.00 0.00 H new ATOM 0 HA ASP A 30 96.935 -4.727 4.567 1.00 0.00 H new ATOM 0 HB2 ASP A 30 99.873 -4.041 4.053 1.00 0.00 H new ATOM 0 HB3 ASP A 30 98.692 -2.983 4.800 1.00 0.00 H new ATOM 483 N GLY A 31 96.742 -3.228 2.460 1.00 0.00 N ATOM 484 CA GLY A 31 96.474 -2.623 1.114 1.00 0.00 C ATOM 485 C GLY A 31 95.147 -3.149 0.566 1.00 0.00 C ATOM 486 O GLY A 31 94.389 -2.428 -0.054 1.00 0.00 O ATOM 0 H GLY A 31 96.211 -2.823 3.231 1.00 0.00 H new ATOM 0 HA2 GLY A 31 96.440 -1.536 1.193 1.00 0.00 H new ATOM 0 HA3 GLY A 31 97.284 -2.867 0.427 1.00 0.00 H new ATOM 490 N THR A 32 94.860 -4.403 0.795 1.00 0.00 N ATOM 491 CA THR A 32 93.584 -4.988 0.299 1.00 0.00 C ATOM 492 C THR A 32 92.419 -4.365 1.060 1.00 0.00 C ATOM 493 O THR A 32 92.405 -4.338 2.276 1.00 0.00 O ATOM 494 CB THR A 32 93.611 -6.505 0.530 1.00 0.00 C ATOM 495 OG1 THR A 32 94.736 -7.055 -0.141 1.00 0.00 O ATOM 496 CG2 THR A 32 92.331 -7.146 -0.012 1.00 0.00 C ATOM 0 H THR A 32 95.460 -5.050 1.308 1.00 0.00 H new ATOM 0 HA THR A 32 93.464 -4.786 -0.765 1.00 0.00 H new ATOM 0 HB THR A 32 93.679 -6.705 1.599 1.00 0.00 H new ATOM 0 HG1 THR A 32 95.506 -7.064 0.465 1.00 0.00 H new ATOM 0 HG21 THR A 32 92.363 -8.222 0.158 1.00 0.00 H new ATOM 0 HG22 THR A 32 91.467 -6.723 0.501 1.00 0.00 H new ATOM 0 HG23 THR A 32 92.250 -6.950 -1.081 1.00 0.00 H new ATOM 504 N PHE A 33 91.438 -3.861 0.359 1.00 0.00 N ATOM 505 CA PHE A 33 90.285 -3.246 1.063 1.00 0.00 C ATOM 506 C PHE A 33 88.990 -3.635 0.370 1.00 0.00 C ATOM 507 O PHE A 33 88.979 -4.072 -0.764 1.00 0.00 O ATOM 508 CB PHE A 33 90.431 -1.718 1.099 1.00 0.00 C ATOM 509 CG PHE A 33 89.605 -1.071 0.004 1.00 0.00 C ATOM 510 CD1 PHE A 33 90.036 -1.112 -1.325 1.00 0.00 C ATOM 511 CD2 PHE A 33 88.406 -0.424 0.327 1.00 0.00 C ATOM 512 CE1 PHE A 33 89.262 -0.510 -2.325 1.00 0.00 C ATOM 513 CE2 PHE A 33 87.643 0.176 -0.685 1.00 0.00 C ATOM 514 CZ PHE A 33 88.072 0.130 -2.001 1.00 0.00 C ATOM 0 H PHE A 33 91.388 -3.850 -0.660 1.00 0.00 H new ATOM 0 HA PHE A 33 90.263 -3.613 2.089 1.00 0.00 H new ATOM 0 HB2 PHE A 33 90.113 -1.341 2.071 1.00 0.00 H new ATOM 0 HB3 PHE A 33 91.480 -1.446 0.979 1.00 0.00 H new ATOM 0 HD1 PHE A 33 90.962 -1.606 -1.580 1.00 0.00 H new ATOM 0 HD2 PHE A 33 88.070 -0.387 1.353 1.00 0.00 H new ATOM 0 HE1 PHE A 33 89.592 -0.543 -3.353 1.00 0.00 H new ATOM 0 HE2 PHE A 33 86.718 0.675 -0.437 1.00 0.00 H new ATOM 0 HZ PHE A 33 87.480 0.593 -2.777 1.00 0.00 H new ATOM 524 N LEU A 34 87.900 -3.486 1.061 1.00 0.00 N ATOM 525 CA LEU A 34 86.586 -3.852 0.467 1.00 0.00 C ATOM 526 C LEU A 34 85.544 -2.790 0.801 1.00 0.00 C ATOM 527 O LEU A 34 85.716 -1.991 1.701 1.00 0.00 O ATOM 528 CB LEU A 34 86.127 -5.200 1.032 1.00 0.00 C ATOM 529 CG LEU A 34 85.891 -5.082 2.542 1.00 0.00 C ATOM 530 CD1 LEU A 34 84.459 -5.504 2.874 1.00 0.00 C ATOM 531 CD2 LEU A 34 86.863 -6.000 3.278 1.00 0.00 C ATOM 0 H LEU A 34 87.860 -3.126 2.014 1.00 0.00 H new ATOM 0 HA LEU A 34 86.695 -3.921 -0.615 1.00 0.00 H new ATOM 0 HB2 LEU A 34 85.210 -5.518 0.536 1.00 0.00 H new ATOM 0 HB3 LEU A 34 86.879 -5.963 0.832 1.00 0.00 H new ATOM 0 HG LEU A 34 86.049 -4.049 2.851 1.00 0.00 H new ATOM 0 HD11 LEU A 34 84.294 -5.419 3.948 1.00 0.00 H new ATOM 0 HD12 LEU A 34 83.758 -4.857 2.347 1.00 0.00 H new ATOM 0 HD13 LEU A 34 84.303 -6.537 2.564 1.00 0.00 H new ATOM 0 HD21 LEU A 34 86.698 -5.918 4.352 1.00 0.00 H new ATOM 0 HD22 LEU A 34 86.700 -7.031 2.963 1.00 0.00 H new ATOM 0 HD23 LEU A 34 87.887 -5.707 3.045 1.00 0.00 H new ATOM 543 N VAL A 35 84.457 -2.781 0.086 1.00 0.00 N ATOM 544 CA VAL A 35 83.393 -1.785 0.365 1.00 0.00 C ATOM 545 C VAL A 35 82.122 -2.529 0.769 1.00 0.00 C ATOM 546 O VAL A 35 81.706 -3.470 0.121 1.00 0.00 O ATOM 547 CB VAL A 35 83.131 -0.927 -0.879 1.00 0.00 C ATOM 548 CG1 VAL A 35 81.953 0.020 -0.618 1.00 0.00 C ATOM 549 CG2 VAL A 35 84.377 -0.095 -1.183 1.00 0.00 C ATOM 0 H VAL A 35 84.260 -3.423 -0.682 1.00 0.00 H new ATOM 0 HA VAL A 35 83.708 -1.126 1.174 1.00 0.00 H new ATOM 0 HB VAL A 35 82.896 -1.576 -1.722 1.00 0.00 H new ATOM 0 HG11 VAL A 35 81.771 0.627 -1.505 1.00 0.00 H new ATOM 0 HG12 VAL A 35 81.061 -0.563 -0.388 1.00 0.00 H new ATOM 0 HG13 VAL A 35 82.188 0.670 0.225 1.00 0.00 H new ATOM 0 HG21 VAL A 35 84.199 0.518 -2.066 1.00 0.00 H new ATOM 0 HG22 VAL A 35 84.600 0.550 -0.333 1.00 0.00 H new ATOM 0 HG23 VAL A 35 85.222 -0.759 -1.367 1.00 0.00 H new ATOM 559 N ARG A 36 81.515 -2.122 1.844 1.00 0.00 N ATOM 560 CA ARG A 36 80.280 -2.808 2.311 1.00 0.00 C ATOM 561 C ARG A 36 79.235 -1.765 2.714 1.00 0.00 C ATOM 562 O ARG A 36 79.446 -0.577 2.565 1.00 0.00 O ATOM 563 CB ARG A 36 80.616 -3.693 3.514 1.00 0.00 C ATOM 564 CG ARG A 36 81.212 -2.830 4.631 1.00 0.00 C ATOM 565 CD ARG A 36 81.043 -3.552 5.968 1.00 0.00 C ATOM 566 NE ARG A 36 79.608 -3.538 6.357 1.00 0.00 N ATOM 567 CZ ARG A 36 79.175 -4.358 7.268 1.00 0.00 C ATOM 568 NH1 ARG A 36 79.985 -5.234 7.792 1.00 0.00 N ATOM 569 NH2 ARG A 36 77.927 -4.315 7.637 1.00 0.00 N ATOM 0 H ARG A 36 81.821 -1.340 2.423 1.00 0.00 H new ATOM 0 HA ARG A 36 79.879 -3.425 1.507 1.00 0.00 H new ATOM 0 HB2 ARG A 36 79.718 -4.198 3.870 1.00 0.00 H new ATOM 0 HB3 ARG A 36 81.324 -4.469 3.222 1.00 0.00 H new ATOM 0 HG2 ARG A 36 82.268 -2.641 4.437 1.00 0.00 H new ATOM 0 HG3 ARG A 36 80.715 -1.860 4.662 1.00 0.00 H new ATOM 0 HD2 ARG A 36 81.400 -4.579 5.887 1.00 0.00 H new ATOM 0 HD3 ARG A 36 81.644 -3.065 6.736 1.00 0.00 H new ATOM 0 HE ARG A 36 78.964 -2.886 5.910 1.00 0.00 H new ATOM 0 HH11 ARG A 36 80.958 -5.276 7.487 1.00 0.00 H new ATOM 0 HH12 ARG A 36 79.647 -5.878 8.507 1.00 0.00 H new ATOM 0 HH21 ARG A 36 77.292 -3.639 7.211 1.00 0.00 H new ATOM 0 HH22 ARG A 36 77.584 -4.957 8.352 1.00 0.00 H new ATOM 583 N GLU A 37 78.114 -2.193 3.225 1.00 0.00 N ATOM 584 CA GLU A 37 77.078 -1.222 3.635 1.00 0.00 C ATOM 585 C GLU A 37 77.163 -1.038 5.140 1.00 0.00 C ATOM 586 O GLU A 37 77.770 -1.830 5.833 1.00 0.00 O ATOM 587 CB GLU A 37 75.696 -1.769 3.272 1.00 0.00 C ATOM 588 CG GLU A 37 75.502 -3.140 3.919 1.00 0.00 C ATOM 589 CD GLU A 37 74.008 -3.452 3.989 1.00 0.00 C ATOM 590 OE1 GLU A 37 73.233 -2.650 3.490 1.00 0.00 O ATOM 591 OE2 GLU A 37 73.664 -4.488 4.532 1.00 0.00 O ATOM 0 H GLU A 37 77.876 -3.174 3.374 1.00 0.00 H new ATOM 0 HA GLU A 37 77.234 -0.270 3.127 1.00 0.00 H new ATOM 0 HB2 GLU A 37 74.921 -1.082 3.612 1.00 0.00 H new ATOM 0 HB3 GLU A 37 75.598 -1.849 2.189 1.00 0.00 H new ATOM 0 HG2 GLU A 37 76.019 -3.905 3.341 1.00 0.00 H new ATOM 0 HG3 GLU A 37 75.935 -3.149 4.919 1.00 0.00 H new ATOM 677 N TYR A 44 77.494 3.643 3.380 1.00 0.00 N ATOM 678 CA TYR A 44 78.529 2.696 2.873 1.00 0.00 C ATOM 679 C TYR A 44 79.798 2.854 3.699 1.00 0.00 C ATOM 680 O TYR A 44 80.098 3.920 4.196 1.00 0.00 O ATOM 681 CB TYR A 44 78.850 3.006 1.408 1.00 0.00 C ATOM 682 CG TYR A 44 77.653 2.710 0.539 1.00 0.00 C ATOM 683 CD1 TYR A 44 77.453 1.420 0.030 1.00 0.00 C ATOM 684 CD2 TYR A 44 76.741 3.729 0.247 1.00 0.00 C ATOM 685 CE1 TYR A 44 76.336 1.152 -0.772 1.00 0.00 C ATOM 686 CE2 TYR A 44 75.623 3.461 -0.550 1.00 0.00 C ATOM 687 CZ TYR A 44 75.421 2.173 -1.061 1.00 0.00 C ATOM 688 OH TYR A 44 74.312 1.910 -1.842 1.00 0.00 O ATOM 0 HA TYR A 44 78.151 1.677 2.953 1.00 0.00 H new ATOM 0 HB2 TYR A 44 79.134 4.053 1.304 1.00 0.00 H new ATOM 0 HB3 TYR A 44 79.702 2.410 1.081 1.00 0.00 H new ATOM 0 HD1 TYR A 44 78.158 0.634 0.255 1.00 0.00 H new ATOM 0 HD2 TYR A 44 76.900 4.724 0.637 1.00 0.00 H new ATOM 0 HE1 TYR A 44 76.180 0.159 -1.167 1.00 0.00 H new ATOM 0 HE2 TYR A 44 74.916 4.247 -0.771 1.00 0.00 H new ATOM 0 HH TYR A 44 73.782 2.728 -1.943 1.00 0.00 H new ATOM 698 N ALA A 45 80.548 1.799 3.841 1.00 0.00 N ATOM 699 CA ALA A 45 81.809 1.880 4.627 1.00 0.00 C ATOM 700 C ALA A 45 82.900 1.073 3.911 1.00 0.00 C ATOM 701 O ALA A 45 82.672 -0.036 3.468 1.00 0.00 O ATOM 702 CB ALA A 45 81.577 1.310 6.035 1.00 0.00 C ATOM 0 H ALA A 45 80.342 0.882 3.446 1.00 0.00 H new ATOM 0 HA ALA A 45 82.123 2.920 4.713 1.00 0.00 H new ATOM 0 HB1 ALA A 45 82.502 1.370 6.609 1.00 0.00 H new ATOM 0 HB2 ALA A 45 80.800 1.886 6.537 1.00 0.00 H new ATOM 0 HB3 ALA A 45 81.264 0.269 5.959 1.00 0.00 H new ATOM 708 N CYS A 46 84.084 1.618 3.799 1.00 0.00 N ATOM 709 CA CYS A 46 85.197 0.880 3.125 1.00 0.00 C ATOM 710 C CYS A 46 86.203 0.432 4.184 1.00 0.00 C ATOM 711 O CYS A 46 86.701 1.225 4.960 1.00 0.00 O ATOM 712 CB CYS A 46 85.896 1.793 2.112 1.00 0.00 C ATOM 713 SG CYS A 46 86.610 3.202 2.990 1.00 0.00 S ATOM 0 H CYS A 46 84.330 2.545 4.146 1.00 0.00 H new ATOM 0 HA CYS A 46 84.794 0.014 2.600 1.00 0.00 H new ATOM 0 HB2 CYS A 46 86.675 1.243 1.584 1.00 0.00 H new ATOM 0 HB3 CYS A 46 85.185 2.138 1.361 1.00 0.00 H new ATOM 0 HG CYS A 46 87.116 4.037 2.132 1.00 0.00 H new ATOM 719 N SER A 47 86.489 -0.835 4.230 1.00 0.00 N ATOM 720 CA SER A 47 87.445 -1.351 5.248 1.00 0.00 C ATOM 721 C SER A 47 88.750 -1.781 4.579 1.00 0.00 C ATOM 722 O SER A 47 88.752 -2.377 3.521 1.00 0.00 O ATOM 723 CB SER A 47 86.813 -2.555 5.941 1.00 0.00 C ATOM 724 OG SER A 47 86.547 -3.562 4.972 1.00 0.00 O ATOM 0 H SER A 47 86.101 -1.541 3.604 1.00 0.00 H new ATOM 0 HA SER A 47 87.664 -0.566 5.972 1.00 0.00 H new ATOM 0 HB2 SER A 47 87.482 -2.940 6.710 1.00 0.00 H new ATOM 0 HB3 SER A 47 85.890 -2.260 6.440 1.00 0.00 H new ATOM 0 HG SER A 47 85.768 -4.087 5.251 1.00 0.00 H new ATOM 730 N VAL A 48 89.861 -1.493 5.195 1.00 0.00 N ATOM 731 CA VAL A 48 91.160 -1.898 4.594 1.00 0.00 C ATOM 732 C VAL A 48 92.002 -2.636 5.632 1.00 0.00 C ATOM 733 O VAL A 48 91.789 -2.522 6.822 1.00 0.00 O ATOM 734 CB VAL A 48 91.910 -0.663 4.117 1.00 0.00 C ATOM 735 CG1 VAL A 48 92.146 0.265 5.301 1.00 0.00 C ATOM 736 CG2 VAL A 48 93.258 -1.067 3.528 1.00 0.00 C ATOM 0 H VAL A 48 89.926 -0.997 6.084 1.00 0.00 H new ATOM 0 HA VAL A 48 90.972 -2.558 3.747 1.00 0.00 H new ATOM 0 HB VAL A 48 91.319 -0.157 3.354 1.00 0.00 H new ATOM 0 HG11 VAL A 48 92.683 1.152 4.966 1.00 0.00 H new ATOM 0 HG12 VAL A 48 91.188 0.561 5.728 1.00 0.00 H new ATOM 0 HG13 VAL A 48 92.736 -0.253 6.057 1.00 0.00 H new ATOM 0 HG21 VAL A 48 93.788 -0.177 3.189 1.00 0.00 H new ATOM 0 HG22 VAL A 48 93.850 -1.574 4.289 1.00 0.00 H new ATOM 0 HG23 VAL A 48 93.100 -1.739 2.684 1.00 0.00 H new ATOM 746 N VAL A 49 92.956 -3.393 5.178 1.00 0.00 N ATOM 747 CA VAL A 49 93.834 -4.162 6.114 1.00 0.00 C ATOM 748 C VAL A 49 95.115 -3.368 6.352 1.00 0.00 C ATOM 749 O VAL A 49 95.709 -2.861 5.423 1.00 0.00 O ATOM 750 CB VAL A 49 94.184 -5.510 5.481 1.00 0.00 C ATOM 751 CG1 VAL A 49 94.975 -6.367 6.468 1.00 0.00 C ATOM 752 CG2 VAL A 49 92.906 -6.248 5.083 1.00 0.00 C ATOM 0 H VAL A 49 93.172 -3.517 4.189 1.00 0.00 H new ATOM 0 HA VAL A 49 93.318 -4.326 7.060 1.00 0.00 H new ATOM 0 HB VAL A 49 94.791 -5.330 4.594 1.00 0.00 H new ATOM 0 HG11 VAL A 49 95.218 -7.324 6.006 1.00 0.00 H new ATOM 0 HG12 VAL A 49 95.896 -5.851 6.741 1.00 0.00 H new ATOM 0 HG13 VAL A 49 94.376 -6.538 7.363 1.00 0.00 H new ATOM 0 HG21 VAL A 49 93.164 -7.207 4.633 1.00 0.00 H new ATOM 0 HG22 VAL A 49 92.292 -6.416 5.968 1.00 0.00 H new ATOM 0 HG23 VAL A 49 92.349 -5.648 4.364 1.00 0.00 H new ATOM 762 N VAL A 50 95.555 -3.240 7.577 1.00 0.00 N ATOM 763 CA VAL A 50 96.799 -2.460 7.813 1.00 0.00 C ATOM 764 C VAL A 50 97.812 -3.291 8.582 1.00 0.00 C ATOM 765 O VAL A 50 97.466 -4.086 9.434 1.00 0.00 O ATOM 766 CB VAL A 50 96.475 -1.199 8.614 1.00 0.00 C ATOM 767 CG1 VAL A 50 97.767 -0.500 9.053 1.00 0.00 C ATOM 768 CG2 VAL A 50 95.665 -0.247 7.748 1.00 0.00 C ATOM 0 H VAL A 50 95.114 -3.635 8.408 1.00 0.00 H new ATOM 0 HA VAL A 50 97.222 -2.187 6.846 1.00 0.00 H new ATOM 0 HB VAL A 50 95.903 -1.481 9.498 1.00 0.00 H new ATOM 0 HG11 VAL A 50 97.520 0.396 9.622 1.00 0.00 H new ATOM 0 HG12 VAL A 50 98.353 -1.176 9.676 1.00 0.00 H new ATOM 0 HG13 VAL A 50 98.348 -0.223 8.173 1.00 0.00 H new ATOM 0 HG21 VAL A 50 95.432 0.653 8.317 1.00 0.00 H new ATOM 0 HG22 VAL A 50 96.243 0.021 6.864 1.00 0.00 H new ATOM 0 HG23 VAL A 50 94.738 -0.733 7.442 1.00 0.00 H new ATOM 778 N ASP A 51 99.065 -3.096 8.289 1.00 0.00 N ATOM 779 CA ASP A 51 100.130 -3.858 8.991 1.00 0.00 C ATOM 780 C ASP A 51 99.816 -3.883 10.470 1.00 0.00 C ATOM 781 O ASP A 51 100.296 -4.714 11.211 1.00 0.00 O ATOM 782 CB ASP A 51 101.482 -3.179 8.780 1.00 0.00 C ATOM 783 CG ASP A 51 101.950 -3.365 7.334 1.00 0.00 C ATOM 784 OD1 ASP A 51 102.460 -4.433 7.030 1.00 0.00 O ATOM 785 OD2 ASP A 51 101.802 -2.434 6.558 1.00 0.00 O ATOM 0 H ASP A 51 99.399 -2.436 7.587 1.00 0.00 H new ATOM 0 HA ASP A 51 100.172 -4.873 8.595 1.00 0.00 H new ATOM 0 HB2 ASP A 51 101.403 -2.116 9.010 1.00 0.00 H new ATOM 0 HB3 ASP A 51 102.219 -3.599 9.465 1.00 0.00 H new ATOM 790 N GLY A 52 99.010 -2.969 10.896 1.00 0.00 N ATOM 791 CA GLY A 52 98.638 -2.910 12.325 1.00 0.00 C ATOM 792 C GLY A 52 97.387 -3.753 12.570 1.00 0.00 C ATOM 793 O GLY A 52 97.410 -4.680 13.351 1.00 0.00 O ATOM 0 H GLY A 52 98.586 -2.250 10.309 1.00 0.00 H new ATOM 0 HA2 GLY A 52 99.460 -3.276 12.940 1.00 0.00 H new ATOM 0 HA3 GLY A 52 98.455 -1.877 12.620 1.00 0.00 H new ATOM 797 N GLU A 53 96.287 -3.440 11.926 1.00 0.00 N ATOM 798 CA GLU A 53 95.036 -4.234 12.166 1.00 0.00 C ATOM 799 C GLU A 53 94.039 -4.005 11.036 1.00 0.00 C ATOM 800 O GLU A 53 94.194 -3.111 10.229 1.00 0.00 O ATOM 801 CB GLU A 53 94.387 -3.783 13.483 1.00 0.00 C ATOM 802 CG GLU A 53 95.349 -4.032 14.646 1.00 0.00 C ATOM 803 CD GLU A 53 94.628 -3.809 15.976 1.00 0.00 C ATOM 804 OE1 GLU A 53 93.789 -2.926 16.032 1.00 0.00 O ATOM 805 OE2 GLU A 53 94.936 -4.521 16.918 1.00 0.00 O ATOM 0 H GLU A 53 96.200 -2.679 11.252 1.00 0.00 H new ATOM 0 HA GLU A 53 95.300 -5.290 12.214 1.00 0.00 H new ATOM 0 HB2 GLU A 53 94.132 -2.725 13.430 1.00 0.00 H new ATOM 0 HB3 GLU A 53 93.457 -4.327 13.646 1.00 0.00 H new ATOM 0 HG2 GLU A 53 95.735 -5.050 14.598 1.00 0.00 H new ATOM 0 HG3 GLU A 53 96.206 -3.362 14.570 1.00 0.00 H new ATOM 812 N VAL A 54 92.992 -4.785 10.998 1.00 0.00 N ATOM 813 CA VAL A 54 91.954 -4.596 9.959 1.00 0.00 C ATOM 814 C VAL A 54 91.300 -3.238 10.209 1.00 0.00 C ATOM 815 O VAL A 54 91.070 -2.874 11.344 1.00 0.00 O ATOM 816 CB VAL A 54 90.935 -5.715 10.110 1.00 0.00 C ATOM 817 CG1 VAL A 54 91.655 -7.059 9.982 1.00 0.00 C ATOM 818 CG2 VAL A 54 90.278 -5.611 11.489 1.00 0.00 C ATOM 0 H VAL A 54 92.815 -5.549 11.650 1.00 0.00 H new ATOM 0 HA VAL A 54 92.369 -4.623 8.951 1.00 0.00 H new ATOM 0 HB VAL A 54 90.170 -5.635 9.338 1.00 0.00 H new ATOM 0 HG11 VAL A 54 90.934 -7.870 10.089 1.00 0.00 H new ATOM 0 HG12 VAL A 54 92.132 -7.124 9.004 1.00 0.00 H new ATOM 0 HG13 VAL A 54 92.412 -7.142 10.762 1.00 0.00 H new ATOM 0 HG21 VAL A 54 89.546 -6.410 11.604 1.00 0.00 H new ATOM 0 HG22 VAL A 54 91.040 -5.702 12.263 1.00 0.00 H new ATOM 0 HG23 VAL A 54 89.780 -4.646 11.583 1.00 0.00 H new ATOM 828 N LYS A 55 91.023 -2.463 9.191 1.00 0.00 N ATOM 829 CA LYS A 55 90.424 -1.120 9.457 1.00 0.00 C ATOM 830 C LYS A 55 89.018 -0.996 8.874 1.00 0.00 C ATOM 831 O LYS A 55 88.733 -1.442 7.780 1.00 0.00 O ATOM 832 CB LYS A 55 91.300 -0.042 8.830 1.00 0.00 C ATOM 833 CG LYS A 55 92.740 -0.219 9.301 1.00 0.00 C ATOM 834 CD LYS A 55 92.789 -0.109 10.818 1.00 0.00 C ATOM 835 CE LYS A 55 94.233 0.136 11.276 1.00 0.00 C ATOM 836 NZ LYS A 55 94.767 -1.092 11.936 1.00 0.00 N ATOM 0 H LYS A 55 91.181 -2.694 8.210 1.00 0.00 H new ATOM 0 HA LYS A 55 90.363 -0.997 10.538 1.00 0.00 H new ATOM 0 HB2 LYS A 55 91.251 -0.106 7.743 1.00 0.00 H new ATOM 0 HB3 LYS A 55 90.934 0.946 9.108 1.00 0.00 H new ATOM 0 HG2 LYS A 55 93.123 -1.189 8.982 1.00 0.00 H new ATOM 0 HG3 LYS A 55 93.379 0.540 8.849 1.00 0.00 H new ATOM 0 HD2 LYS A 55 92.148 0.707 11.153 1.00 0.00 H new ATOM 0 HD3 LYS A 55 92.405 -1.023 11.271 1.00 0.00 H new ATOM 0 HE2 LYS A 55 94.856 0.401 10.422 1.00 0.00 H new ATOM 0 HE3 LYS A 55 94.267 0.977 11.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 95.800 -1.014 12.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 94.339 -1.193 12.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 94.535 -1.925 11.359 1.00 0.00 H new ATOM 850 N HIS A 56 88.144 -0.356 9.600 1.00 0.00 N ATOM 851 CA HIS A 56 86.760 -0.151 9.118 1.00 0.00 C ATOM 852 C HIS A 56 86.524 1.347 8.921 1.00 0.00 C ATOM 853 O HIS A 56 86.212 2.063 9.850 1.00 0.00 O ATOM 854 CB HIS A 56 85.782 -0.688 10.163 1.00 0.00 C ATOM 855 CG HIS A 56 85.409 -2.096 9.817 1.00 0.00 C ATOM 856 ND1 HIS A 56 84.730 -2.610 8.750 1.00 0.00 N flip ATOM 857 CD2 HIS A 56 85.713 -3.175 10.631 1.00 0.00 C flip ATOM 858 CE1 HIS A 56 84.603 -3.988 8.887 1.00 0.00 C flip ATOM 859 NE2 HIS A 56 85.212 -4.277 10.040 1.00 0.00 N flip ATOM 0 H HIS A 56 88.339 0.038 10.521 1.00 0.00 H new ATOM 0 HA HIS A 56 86.609 -0.676 8.175 1.00 0.00 H new ATOM 0 HB2 HIS A 56 86.236 -0.653 11.154 1.00 0.00 H new ATOM 0 HB3 HIS A 56 84.890 -0.062 10.198 1.00 0.00 H new ATOM 0 HD2 HIS A 56 86.252 -3.139 11.566 1.00 0.00 H new ATOM 0 HE1 HIS A 56 84.118 -4.675 8.209 1.00 0.00 H new ATOM 0 HE2 HIS A 56 85.288 -5.218 10.426 1.00 0.00 H new ATOM 867 N CYS A 57 86.668 1.829 7.719 1.00 0.00 N ATOM 868 CA CYS A 57 86.451 3.280 7.477 1.00 0.00 C ATOM 869 C CYS A 57 85.051 3.482 6.900 1.00 0.00 C ATOM 870 O CYS A 57 84.699 2.923 5.879 1.00 0.00 O ATOM 871 CB CYS A 57 87.507 3.790 6.494 1.00 0.00 C ATOM 872 SG CYS A 57 89.157 3.643 7.233 1.00 0.00 S ATOM 0 H CYS A 57 86.926 1.283 6.897 1.00 0.00 H new ATOM 0 HA CYS A 57 86.539 3.836 8.411 1.00 0.00 H new ATOM 0 HB2 CYS A 57 87.461 3.217 5.568 1.00 0.00 H new ATOM 0 HB3 CYS A 57 87.305 4.830 6.236 1.00 0.00 H new ATOM 0 HG CYS A 57 90.049 4.076 6.392 1.00 0.00 H new ATOM 878 N VAL A 58 84.248 4.267 7.561 1.00 0.00 N ATOM 879 CA VAL A 58 82.861 4.509 7.082 1.00 0.00 C ATOM 880 C VAL A 58 82.862 5.485 5.912 1.00 0.00 C ATOM 881 O VAL A 58 83.577 6.467 5.904 1.00 0.00 O ATOM 882 CB VAL A 58 82.028 5.104 8.217 1.00 0.00 C ATOM 883 CG1 VAL A 58 80.807 5.820 7.639 1.00 0.00 C ATOM 884 CG2 VAL A 58 81.564 3.990 9.158 1.00 0.00 C ATOM 0 H VAL A 58 84.497 4.756 8.421 1.00 0.00 H new ATOM 0 HA VAL A 58 82.436 3.559 6.757 1.00 0.00 H new ATOM 0 HB VAL A 58 82.639 5.816 8.772 1.00 0.00 H new ATOM 0 HG11 VAL A 58 80.215 6.243 8.451 1.00 0.00 H new ATOM 0 HG12 VAL A 58 81.135 6.619 6.974 1.00 0.00 H new ATOM 0 HG13 VAL A 58 80.199 5.109 7.079 1.00 0.00 H new ATOM 0 HG21 VAL A 58 80.971 4.419 9.965 1.00 0.00 H new ATOM 0 HG22 VAL A 58 80.958 3.274 8.603 1.00 0.00 H new ATOM 0 HG23 VAL A 58 82.433 3.482 9.577 1.00 0.00 H new ATOM 894 N ILE A 59 82.040 5.229 4.936 1.00 0.00 N ATOM 895 CA ILE A 59 81.954 6.140 3.769 1.00 0.00 C ATOM 896 C ILE A 59 80.610 6.878 3.842 1.00 0.00 C ATOM 897 O ILE A 59 79.571 6.269 4.023 1.00 0.00 O ATOM 898 CB ILE A 59 82.050 5.316 2.477 1.00 0.00 C ATOM 899 CG1 ILE A 59 83.398 4.580 2.431 1.00 0.00 C ATOM 900 CG2 ILE A 59 81.932 6.235 1.263 1.00 0.00 C ATOM 901 CD1 ILE A 59 84.539 5.592 2.526 1.00 0.00 C ATOM 0 H ILE A 59 81.420 4.420 4.898 1.00 0.00 H new ATOM 0 HA ILE A 59 82.769 6.864 3.777 1.00 0.00 H new ATOM 0 HB ILE A 59 81.238 4.590 2.459 1.00 0.00 H new ATOM 0 HG12 ILE A 59 83.462 3.866 3.252 1.00 0.00 H new ATOM 0 HG13 ILE A 59 83.481 4.009 1.506 1.00 0.00 H new ATOM 0 HG21 ILE A 59 82.001 5.643 0.350 1.00 0.00 H new ATOM 0 HG22 ILE A 59 80.972 6.751 1.289 1.00 0.00 H new ATOM 0 HG23 ILE A 59 82.738 6.968 1.282 1.00 0.00 H new ATOM 0 HD11 ILE A 59 85.494 5.068 2.493 1.00 0.00 H new ATOM 0 HD12 ILE A 59 84.478 6.288 1.690 1.00 0.00 H new ATOM 0 HD13 ILE A 59 84.460 6.143 3.463 1.00 0.00 H new ATOM 913 N ASN A 60 80.619 8.185 3.720 1.00 0.00 N ATOM 914 CA ASN A 60 79.333 8.948 3.805 1.00 0.00 C ATOM 915 C ASN A 60 79.050 9.649 2.477 1.00 0.00 C ATOM 916 O ASN A 60 79.690 10.627 2.146 1.00 0.00 O ATOM 917 CB ASN A 60 79.441 10.009 4.905 1.00 0.00 C ATOM 918 CG ASN A 60 79.563 9.332 6.277 1.00 0.00 C ATOM 919 OD1 ASN A 60 79.275 8.063 6.400 1.00 0.00 O flip ATOM 920 ND2 ASN A 60 79.931 9.965 7.248 1.00 0.00 N flip ATOM 0 H ASN A 60 81.453 8.752 3.567 1.00 0.00 H new ATOM 0 HA ASN A 60 78.526 8.251 4.031 1.00 0.00 H new ATOM 0 HB2 ASN A 60 80.308 10.644 4.725 1.00 0.00 H new ATOM 0 HB3 ASN A 60 78.563 10.655 4.886 1.00 0.00 H new ATOM 0 HD21 ASN A 60 80.157 10.955 7.156 1.00 0.00 H new ATOM 0 HD22 ASN A 60 80.014 9.505 8.155 1.00 0.00 H new ATOM 1167 N SER A 77 81.594 10.713 -8.358 1.00 0.00 N ATOM 1168 CA SER A 77 81.123 9.313 -8.122 1.00 0.00 C ATOM 1169 C SER A 77 82.005 8.594 -7.101 1.00 0.00 C ATOM 1170 O SER A 77 83.157 8.927 -6.906 1.00 0.00 O ATOM 1171 CB SER A 77 81.161 8.549 -9.437 1.00 0.00 C ATOM 1172 OG SER A 77 80.724 7.219 -9.212 1.00 0.00 O ATOM 0 HA SER A 77 80.107 9.354 -7.729 1.00 0.00 H new ATOM 0 HB2 SER A 77 80.522 9.036 -10.174 1.00 0.00 H new ATOM 0 HB3 SER A 77 82.172 8.549 -9.843 1.00 0.00 H new ATOM 0 HG SER A 77 80.744 6.721 -10.056 1.00 0.00 H new ATOM 1178 N LEU A 78 81.463 7.595 -6.451 1.00 0.00 N ATOM 1179 CA LEU A 78 82.257 6.838 -5.447 1.00 0.00 C ATOM 1180 C LEU A 78 83.450 6.171 -6.136 1.00 0.00 C ATOM 1181 O LEU A 78 84.517 6.056 -5.568 1.00 0.00 O ATOM 1182 CB LEU A 78 81.388 5.763 -4.788 1.00 0.00 C ATOM 1183 CG LEU A 78 80.317 6.420 -3.918 1.00 0.00 C ATOM 1184 CD1 LEU A 78 79.397 5.336 -3.349 1.00 0.00 C ATOM 1185 CD2 LEU A 78 80.995 7.166 -2.769 1.00 0.00 C ATOM 0 H LEU A 78 80.503 7.274 -6.575 1.00 0.00 H new ATOM 0 HA LEU A 78 82.611 7.530 -4.683 1.00 0.00 H new ATOM 0 HB2 LEU A 78 80.918 5.144 -5.552 1.00 0.00 H new ATOM 0 HB3 LEU A 78 82.008 5.104 -4.181 1.00 0.00 H new ATOM 0 HG LEU A 78 79.732 7.120 -4.515 1.00 0.00 H new ATOM 0 HD11 LEU A 78 78.631 5.799 -2.727 1.00 0.00 H new ATOM 0 HD12 LEU A 78 78.922 4.795 -4.168 1.00 0.00 H new ATOM 0 HD13 LEU A 78 79.982 4.641 -2.747 1.00 0.00 H new ATOM 0 HD21 LEU A 78 80.237 7.638 -2.144 1.00 0.00 H new ATOM 0 HD22 LEU A 78 81.574 6.463 -2.170 1.00 0.00 H new ATOM 0 HD23 LEU A 78 81.659 7.930 -3.173 1.00 0.00 H new ATOM 1197 N LYS A 79 83.287 5.736 -7.356 1.00 0.00 N ATOM 1198 CA LYS A 79 84.428 5.090 -8.062 1.00 0.00 C ATOM 1199 C LYS A 79 85.656 5.981 -7.878 1.00 0.00 C ATOM 1200 O LYS A 79 86.751 5.525 -7.615 1.00 0.00 O ATOM 1201 CB LYS A 79 84.098 4.982 -9.550 1.00 0.00 C ATOM 1202 CG LYS A 79 82.959 3.981 -9.755 1.00 0.00 C ATOM 1203 CD LYS A 79 82.619 3.908 -11.242 1.00 0.00 C ATOM 1204 CE LYS A 79 81.634 2.766 -11.486 1.00 0.00 C ATOM 1205 NZ LYS A 79 81.563 2.483 -12.947 1.00 0.00 N ATOM 0 H LYS A 79 82.420 5.799 -7.890 1.00 0.00 H new ATOM 0 HA LYS A 79 84.616 4.093 -7.662 1.00 0.00 H new ATOM 0 HB2 LYS A 79 83.811 5.958 -9.940 1.00 0.00 H new ATOM 0 HB3 LYS A 79 84.980 4.663 -10.106 1.00 0.00 H new ATOM 0 HG2 LYS A 79 83.252 2.998 -9.388 1.00 0.00 H new ATOM 0 HG3 LYS A 79 82.083 4.287 -9.183 1.00 0.00 H new ATOM 0 HD2 LYS A 79 82.186 4.852 -11.573 1.00 0.00 H new ATOM 0 HD3 LYS A 79 83.526 3.751 -11.826 1.00 0.00 H new ATOM 0 HE2 LYS A 79 81.952 1.874 -10.946 1.00 0.00 H new ATOM 0 HE3 LYS A 79 80.648 3.034 -11.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 80.893 1.706 -13.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 81.241 3.334 -13.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 82.505 2.211 -13.294 1.00 0.00 H new ATOM 1219 N GLU A 80 85.456 7.258 -7.997 1.00 0.00 N ATOM 1220 CA GLU A 80 86.570 8.225 -7.812 1.00 0.00 C ATOM 1221 C GLU A 80 87.055 8.162 -6.358 1.00 0.00 C ATOM 1222 O GLU A 80 88.232 8.271 -6.076 1.00 0.00 O ATOM 1223 CB GLU A 80 86.049 9.625 -8.135 1.00 0.00 C ATOM 1224 CG GLU A 80 85.825 9.742 -9.643 1.00 0.00 C ATOM 1225 CD GLU A 80 85.194 11.096 -9.959 1.00 0.00 C ATOM 1226 OE1 GLU A 80 84.264 11.470 -9.263 1.00 0.00 O ATOM 1227 OE2 GLU A 80 85.649 11.738 -10.893 1.00 0.00 O ATOM 0 H GLU A 80 84.555 7.681 -8.218 1.00 0.00 H new ATOM 0 HA GLU A 80 87.404 7.983 -8.471 1.00 0.00 H new ATOM 0 HB2 GLU A 80 85.117 9.811 -7.601 1.00 0.00 H new ATOM 0 HB3 GLU A 80 86.763 10.378 -7.802 1.00 0.00 H new ATOM 0 HG2 GLU A 80 86.773 9.638 -10.172 1.00 0.00 H new ATOM 0 HG3 GLU A 80 85.177 8.937 -9.989 1.00 0.00 H new ATOM 1234 N LEU A 81 86.145 7.988 -5.438 1.00 0.00 N ATOM 1235 CA LEU A 81 86.522 7.919 -3.996 1.00 0.00 C ATOM 1236 C LEU A 81 87.493 6.758 -3.759 1.00 0.00 C ATOM 1237 O LEU A 81 88.464 6.883 -3.038 1.00 0.00 O ATOM 1238 CB LEU A 81 85.252 7.705 -3.167 1.00 0.00 C ATOM 1239 CG LEU A 81 85.606 7.738 -1.682 1.00 0.00 C ATOM 1240 CD1 LEU A 81 84.351 8.026 -0.856 1.00 0.00 C ATOM 1241 CD2 LEU A 81 86.192 6.393 -1.262 1.00 0.00 C ATOM 0 H LEU A 81 85.147 7.890 -5.625 1.00 0.00 H new ATOM 0 HA LEU A 81 87.011 8.848 -3.701 1.00 0.00 H new ATOM 0 HB2 LEU A 81 84.520 8.480 -3.395 1.00 0.00 H new ATOM 0 HB3 LEU A 81 84.794 6.749 -3.422 1.00 0.00 H new ATOM 0 HG LEU A 81 86.341 8.524 -1.509 1.00 0.00 H new ATOM 0 HD11 LEU A 81 84.609 8.048 0.203 1.00 0.00 H new ATOM 0 HD12 LEU A 81 83.936 8.991 -1.149 1.00 0.00 H new ATOM 0 HD13 LEU A 81 83.612 7.245 -1.033 1.00 0.00 H new ATOM 0 HD21 LEU A 81 86.443 6.421 -0.202 1.00 0.00 H new ATOM 0 HD22 LEU A 81 85.460 5.605 -1.441 1.00 0.00 H new ATOM 0 HD23 LEU A 81 87.092 6.191 -1.843 1.00 0.00 H new ATOM 1253 N VAL A 82 87.243 5.632 -4.354 1.00 0.00 N ATOM 1254 CA VAL A 82 88.159 4.477 -4.152 1.00 0.00 C ATOM 1255 C VAL A 82 89.529 4.799 -4.760 1.00 0.00 C ATOM 1256 O VAL A 82 90.560 4.550 -4.165 1.00 0.00 O ATOM 1257 CB VAL A 82 87.580 3.242 -4.841 1.00 0.00 C ATOM 1258 CG1 VAL A 82 88.624 2.123 -4.807 1.00 0.00 C ATOM 1259 CG2 VAL A 82 86.310 2.802 -4.097 1.00 0.00 C ATOM 0 H VAL A 82 86.448 5.458 -4.970 1.00 0.00 H new ATOM 0 HA VAL A 82 88.268 4.284 -3.085 1.00 0.00 H new ATOM 0 HB VAL A 82 87.327 3.468 -5.877 1.00 0.00 H new ATOM 0 HG11 VAL A 82 88.222 1.236 -5.296 1.00 0.00 H new ATOM 0 HG12 VAL A 82 89.524 2.449 -5.329 1.00 0.00 H new ATOM 0 HG13 VAL A 82 88.870 1.887 -3.772 1.00 0.00 H new ATOM 0 HG21 VAL A 82 85.891 1.921 -4.583 1.00 0.00 H new ATOM 0 HG22 VAL A 82 86.559 2.563 -3.063 1.00 0.00 H new ATOM 0 HG23 VAL A 82 85.578 3.610 -4.117 1.00 0.00 H new ATOM 1269 N LEU A 83 89.543 5.343 -5.945 1.00 0.00 N ATOM 1270 CA LEU A 83 90.831 5.679 -6.612 1.00 0.00 C ATOM 1271 C LEU A 83 91.546 6.822 -5.893 1.00 0.00 C ATOM 1272 O LEU A 83 92.755 6.826 -5.773 1.00 0.00 O ATOM 1273 CB LEU A 83 90.539 6.094 -8.048 1.00 0.00 C ATOM 1274 CG LEU A 83 90.095 4.870 -8.836 1.00 0.00 C ATOM 1275 CD1 LEU A 83 89.704 5.292 -10.250 1.00 0.00 C ATOM 1276 CD2 LEU A 83 91.251 3.868 -8.889 1.00 0.00 C ATOM 0 H LEU A 83 88.708 5.571 -6.485 1.00 0.00 H new ATOM 0 HA LEU A 83 91.480 4.803 -6.585 1.00 0.00 H new ATOM 0 HB2 LEU A 83 89.761 6.858 -8.069 1.00 0.00 H new ATOM 0 HB3 LEU A 83 91.428 6.532 -8.502 1.00 0.00 H new ATOM 0 HG LEU A 83 89.234 4.406 -8.354 1.00 0.00 H new ATOM 0 HD11 LEU A 83 89.386 4.417 -10.816 1.00 0.00 H new ATOM 0 HD12 LEU A 83 88.886 6.010 -10.202 1.00 0.00 H new ATOM 0 HD13 LEU A 83 90.561 5.751 -10.743 1.00 0.00 H new ATOM 0 HD21 LEU A 83 90.943 2.987 -9.452 1.00 0.00 H new ATOM 0 HD22 LEU A 83 92.110 4.329 -9.377 1.00 0.00 H new ATOM 0 HD23 LEU A 83 91.524 3.574 -7.876 1.00 0.00 H new ATOM 1288 N HIS A 84 90.823 7.802 -5.433 1.00 0.00 N ATOM 1289 CA HIS A 84 91.491 8.945 -4.746 1.00 0.00 C ATOM 1290 C HIS A 84 92.163 8.466 -3.453 1.00 0.00 C ATOM 1291 O HIS A 84 93.272 8.857 -3.142 1.00 0.00 O ATOM 1292 CB HIS A 84 90.457 10.030 -4.431 1.00 0.00 C ATOM 1293 CG HIS A 84 90.168 10.824 -5.677 1.00 0.00 C ATOM 1294 ND1 HIS A 84 89.211 10.434 -6.602 1.00 0.00 N ATOM 1295 CD2 HIS A 84 90.706 11.990 -6.167 1.00 0.00 C ATOM 1296 CE1 HIS A 84 89.204 11.348 -7.588 1.00 0.00 C ATOM 1297 NE2 HIS A 84 90.095 12.317 -7.373 1.00 0.00 N ATOM 0 H HIS A 84 89.807 7.864 -5.501 1.00 0.00 H new ATOM 0 HA HIS A 84 92.256 9.359 -5.403 1.00 0.00 H new ATOM 0 HB2 HIS A 84 89.540 9.576 -4.056 1.00 0.00 H new ATOM 0 HB3 HIS A 84 90.831 10.688 -3.646 1.00 0.00 H new ATOM 0 HD1 HIS A 84 88.620 9.605 -6.545 1.00 0.00 H new ATOM 0 HD2 HIS A 84 91.485 12.565 -5.688 1.00 0.00 H new ATOM 0 HE1 HIS A 84 88.555 11.303 -8.450 1.00 0.00 H new ATOM 1305 N TYR A 85 91.509 7.625 -2.691 1.00 0.00 N ATOM 1306 CA TYR A 85 92.124 7.135 -1.421 1.00 0.00 C ATOM 1307 C TYR A 85 93.227 6.129 -1.748 1.00 0.00 C ATOM 1308 O TYR A 85 94.071 5.821 -0.928 1.00 0.00 O ATOM 1309 CB TYR A 85 91.060 6.462 -0.545 1.00 0.00 C ATOM 1310 CG TYR A 85 89.969 7.449 -0.152 1.00 0.00 C ATOM 1311 CD1 TYR A 85 89.999 8.782 -0.604 1.00 0.00 C ATOM 1312 CD2 TYR A 85 88.917 7.021 0.674 1.00 0.00 C ATOM 1313 CE1 TYR A 85 88.989 9.672 -0.227 1.00 0.00 C ATOM 1314 CE2 TYR A 85 87.906 7.918 1.045 1.00 0.00 C ATOM 1315 CZ TYR A 85 87.943 9.242 0.595 1.00 0.00 C ATOM 1316 OH TYR A 85 86.948 10.124 0.956 1.00 0.00 O ATOM 0 H TYR A 85 90.579 7.258 -2.893 1.00 0.00 H new ATOM 0 HA TYR A 85 92.546 7.981 -0.879 1.00 0.00 H new ATOM 0 HB2 TYR A 85 90.619 5.623 -1.083 1.00 0.00 H new ATOM 0 HB3 TYR A 85 91.527 6.055 0.352 1.00 0.00 H new ATOM 0 HD1 TYR A 85 90.803 9.117 -1.243 1.00 0.00 H new ATOM 0 HD2 TYR A 85 88.887 6.000 1.024 1.00 0.00 H new ATOM 0 HE1 TYR A 85 89.017 10.695 -0.572 1.00 0.00 H new ATOM 0 HE2 TYR A 85 87.097 7.587 1.679 1.00 0.00 H new ATOM 0 HH TYR A 85 86.297 9.666 1.528 1.00 0.00 H new ATOM 1326 N GLN A 86 93.231 5.619 -2.948 1.00 0.00 N ATOM 1327 CA GLN A 86 94.277 4.643 -3.352 1.00 0.00 C ATOM 1328 C GLN A 86 95.632 5.354 -3.418 1.00 0.00 C ATOM 1329 O GLN A 86 96.662 4.794 -3.100 1.00 0.00 O ATOM 1330 CB GLN A 86 93.931 4.093 -4.734 1.00 0.00 C ATOM 1331 CG GLN A 86 95.043 3.161 -5.201 1.00 0.00 C ATOM 1332 CD GLN A 86 95.949 3.903 -6.177 1.00 0.00 C ATOM 1333 OE1 GLN A 86 96.185 5.089 -6.035 1.00 0.00 O ATOM 1334 NE2 GLN A 86 96.466 3.248 -7.174 1.00 0.00 N ATOM 0 H GLN A 86 92.547 5.840 -3.672 1.00 0.00 H new ATOM 0 HA GLN A 86 94.326 3.829 -2.628 1.00 0.00 H new ATOM 0 HB2 GLN A 86 92.983 3.556 -4.697 1.00 0.00 H new ATOM 0 HB3 GLN A 86 93.806 4.912 -5.443 1.00 0.00 H new ATOM 0 HG2 GLN A 86 95.621 2.810 -4.346 1.00 0.00 H new ATOM 0 HG3 GLN A 86 94.617 2.280 -5.681 1.00 0.00 H new ATOM 0 HE21 GLN A 86 96.266 2.254 -7.290 1.00 0.00 H new ATOM 0 HE22 GLN A 86 97.071 3.728 -7.840 1.00 0.00 H new ATOM 1343 N HIS A 87 95.635 6.585 -3.840 1.00 0.00 N ATOM 1344 CA HIS A 87 96.915 7.335 -3.934 1.00 0.00 C ATOM 1345 C HIS A 87 97.154 8.113 -2.634 1.00 0.00 C ATOM 1346 O HIS A 87 98.274 8.449 -2.298 1.00 0.00 O ATOM 1347 CB HIS A 87 96.839 8.292 -5.128 1.00 0.00 C ATOM 1348 CG HIS A 87 96.036 9.509 -4.750 1.00 0.00 C ATOM 1349 ND1 HIS A 87 94.671 9.590 -4.978 1.00 0.00 N ATOM 1350 CD2 HIS A 87 96.390 10.701 -4.164 1.00 0.00 C ATOM 1351 CE1 HIS A 87 94.257 10.794 -4.538 1.00 0.00 C ATOM 1352 NE2 HIS A 87 95.265 11.511 -4.033 1.00 0.00 N ATOM 0 H HIS A 87 94.805 7.105 -4.124 1.00 0.00 H new ATOM 0 HA HIS A 87 97.746 6.644 -4.079 1.00 0.00 H new ATOM 0 HB2 HIS A 87 97.842 8.587 -5.435 1.00 0.00 H new ATOM 0 HB3 HIS A 87 96.379 7.791 -5.980 1.00 0.00 H new ATOM 0 HD2 HIS A 87 97.389 10.969 -3.853 1.00 0.00 H new ATOM 0 HE1 HIS A 87 93.234 11.138 -4.587 1.00 0.00 H new ATOM 0 HE2 HIS A 87 95.220 12.450 -3.637 1.00 0.00 H new ATOM 1360 N THR A 88 96.113 8.393 -1.893 1.00 0.00 N ATOM 1361 CA THR A 88 96.288 9.143 -0.610 1.00 0.00 C ATOM 1362 C THR A 88 96.454 8.152 0.537 1.00 0.00 C ATOM 1363 O THR A 88 95.672 7.237 0.713 1.00 0.00 O ATOM 1364 CB THR A 88 95.063 10.032 -0.356 1.00 0.00 C ATOM 1365 OG1 THR A 88 94.852 10.867 -1.486 1.00 0.00 O ATOM 1366 CG2 THR A 88 95.298 10.910 0.877 1.00 0.00 C ATOM 0 H THR A 88 95.152 8.136 -2.118 1.00 0.00 H new ATOM 0 HA THR A 88 97.175 9.772 -0.676 1.00 0.00 H new ATOM 0 HB THR A 88 94.191 9.400 -0.187 1.00 0.00 H new ATOM 0 HG1 THR A 88 94.070 11.436 -1.331 1.00 0.00 H new ATOM 0 HG21 THR A 88 94.423 11.537 1.049 1.00 0.00 H new ATOM 0 HG22 THR A 88 95.467 10.277 1.748 1.00 0.00 H new ATOM 0 HG23 THR A 88 96.171 11.542 0.713 1.00 0.00 H new ATOM 1374 N SER A 89 97.481 8.326 1.316 1.00 0.00 N ATOM 1375 CA SER A 89 97.718 7.396 2.444 1.00 0.00 C ATOM 1376 C SER A 89 96.775 7.734 3.595 1.00 0.00 C ATOM 1377 O SER A 89 96.641 8.874 3.992 1.00 0.00 O ATOM 1378 CB SER A 89 99.166 7.532 2.913 1.00 0.00 C ATOM 1379 OG SER A 89 99.292 8.692 3.729 1.00 0.00 O ATOM 0 H SER A 89 98.167 9.075 1.218 1.00 0.00 H new ATOM 0 HA SER A 89 97.533 6.373 2.117 1.00 0.00 H new ATOM 0 HB2 SER A 89 99.463 6.646 3.474 1.00 0.00 H new ATOM 0 HB3 SER A 89 99.833 7.604 2.054 1.00 0.00 H new ATOM 0 HG SER A 89 98.444 9.184 3.731 1.00 0.00 H new ATOM 1385 N LEU A 90 96.121 6.749 4.129 1.00 0.00 N ATOM 1386 CA LEU A 90 95.181 6.999 5.257 1.00 0.00 C ATOM 1387 C LEU A 90 95.970 7.386 6.527 1.00 0.00 C ATOM 1388 O LEU A 90 95.417 7.922 7.467 1.00 0.00 O ATOM 1389 CB LEU A 90 94.375 5.724 5.513 1.00 0.00 C ATOM 1390 CG LEU A 90 93.435 5.445 4.333 1.00 0.00 C ATOM 1391 CD1 LEU A 90 92.781 4.079 4.521 1.00 0.00 C ATOM 1392 CD2 LEU A 90 92.333 6.499 4.275 1.00 0.00 C ATOM 0 H LEU A 90 96.195 5.775 3.834 1.00 0.00 H new ATOM 0 HA LEU A 90 94.509 7.819 5.003 1.00 0.00 H new ATOM 0 HB2 LEU A 90 95.051 4.881 5.656 1.00 0.00 H new ATOM 0 HB3 LEU A 90 93.797 5.829 6.431 1.00 0.00 H new ATOM 0 HG LEU A 90 94.016 5.469 3.411 1.00 0.00 H new ATOM 0 HD11 LEU A 90 92.112 3.878 3.684 1.00 0.00 H new ATOM 0 HD12 LEU A 90 93.552 3.309 4.563 1.00 0.00 H new ATOM 0 HD13 LEU A 90 92.211 4.073 5.450 1.00 0.00 H new ATOM 0 HD21 LEU A 90 91.673 6.289 3.433 1.00 0.00 H new ATOM 0 HD22 LEU A 90 91.759 6.476 5.201 1.00 0.00 H new ATOM 0 HD23 LEU A 90 92.779 7.485 4.149 1.00 0.00 H new ATOM 1404 N VAL A 91 97.249 7.108 6.561 1.00 0.00 N ATOM 1405 CA VAL A 91 98.077 7.446 7.771 1.00 0.00 C ATOM 1406 C VAL A 91 97.544 8.705 8.444 1.00 0.00 C ATOM 1407 O VAL A 91 97.388 8.748 9.650 1.00 0.00 O ATOM 1408 CB VAL A 91 99.527 7.694 7.344 1.00 0.00 C ATOM 1409 CG1 VAL A 91 99.616 9.015 6.584 1.00 0.00 C ATOM 1410 CG2 VAL A 91 100.413 7.769 8.589 1.00 0.00 C ATOM 0 H VAL A 91 97.762 6.660 5.802 1.00 0.00 H new ATOM 0 HA VAL A 91 98.026 6.612 8.471 1.00 0.00 H new ATOM 0 HB VAL A 91 99.861 6.880 6.701 1.00 0.00 H new ATOM 0 HG11 VAL A 91 100.648 9.191 6.280 1.00 0.00 H new ATOM 0 HG12 VAL A 91 98.980 8.970 5.700 1.00 0.00 H new ATOM 0 HG13 VAL A 91 99.284 9.829 7.229 1.00 0.00 H new ATOM 0 HG21 VAL A 91 101.446 7.945 8.290 1.00 0.00 H new ATOM 0 HG22 VAL A 91 100.075 8.586 9.227 1.00 0.00 H new ATOM 0 HG23 VAL A 91 100.349 6.829 9.138 1.00 0.00 H new ATOM 1420 N GLN A 92 97.272 9.725 7.674 1.00 0.00 N ATOM 1421 CA GLN A 92 96.760 11.000 8.247 1.00 0.00 C ATOM 1422 C GLN A 92 95.683 10.712 9.291 1.00 0.00 C ATOM 1423 O GLN A 92 95.495 11.465 10.227 1.00 0.00 O ATOM 1424 CB GLN A 92 96.178 11.838 7.114 1.00 0.00 C ATOM 1425 CG GLN A 92 95.714 13.178 7.673 1.00 0.00 C ATOM 1426 CD GLN A 92 95.320 14.103 6.528 1.00 0.00 C ATOM 1427 OE1 GLN A 92 95.853 15.184 6.401 1.00 0.00 O ATOM 1428 NE2 GLN A 92 94.401 13.724 5.684 1.00 0.00 N ATOM 0 H GLN A 92 97.385 9.727 6.660 1.00 0.00 H new ATOM 0 HA GLN A 92 97.572 11.541 8.733 1.00 0.00 H new ATOM 0 HB2 GLN A 92 96.927 11.993 6.338 1.00 0.00 H new ATOM 0 HB3 GLN A 92 95.342 11.314 6.650 1.00 0.00 H new ATOM 0 HG2 GLN A 92 94.866 13.030 8.342 1.00 0.00 H new ATOM 0 HG3 GLN A 92 96.510 13.632 8.263 1.00 0.00 H new ATOM 0 HE21 GLN A 92 93.953 12.814 5.792 1.00 0.00 H new ATOM 0 HE22 GLN A 92 94.130 14.338 4.916 1.00 0.00 H new ATOM 1437 N HIS A 93 94.993 9.621 9.162 1.00 0.00 N ATOM 1438 CA HIS A 93 93.957 9.293 10.170 1.00 0.00 C ATOM 1439 C HIS A 93 94.650 8.652 11.377 1.00 0.00 C ATOM 1440 O HIS A 93 95.301 7.634 11.259 1.00 0.00 O ATOM 1441 CB HIS A 93 92.937 8.323 9.565 1.00 0.00 C ATOM 1442 CG HIS A 93 92.190 9.009 8.450 1.00 0.00 C ATOM 1443 ND1 HIS A 93 91.066 9.787 8.682 1.00 0.00 N ATOM 1444 CD2 HIS A 93 92.393 9.043 7.092 1.00 0.00 C ATOM 1445 CE1 HIS A 93 90.641 10.253 7.493 1.00 0.00 C ATOM 1446 NE2 HIS A 93 91.414 9.829 6.489 1.00 0.00 N ATOM 0 H HIS A 93 95.100 8.945 8.406 1.00 0.00 H new ATOM 0 HA HIS A 93 93.430 10.195 10.482 1.00 0.00 H new ATOM 0 HB2 HIS A 93 93.444 7.436 9.185 1.00 0.00 H new ATOM 0 HB3 HIS A 93 92.239 7.988 10.332 1.00 0.00 H new ATOM 0 HD2 HIS A 93 93.192 8.536 6.570 1.00 0.00 H new ATOM 0 HE1 HIS A 93 89.780 10.892 7.366 1.00 0.00 H new ATOM 0 HE2 HIS A 93 91.310 10.036 5.496 1.00 0.00 H new ATOM 1454 N ASN A 94 94.531 9.261 12.529 1.00 0.00 N ATOM 1455 CA ASN A 94 95.192 8.707 13.749 1.00 0.00 C ATOM 1456 C ASN A 94 96.712 8.676 13.539 1.00 0.00 C ATOM 1457 O ASN A 94 97.459 8.228 14.388 1.00 0.00 O ATOM 1458 CB ASN A 94 94.672 7.285 14.002 1.00 0.00 C ATOM 1459 CG ASN A 94 93.181 7.343 14.339 1.00 0.00 C ATOM 1460 OD1 ASN A 94 92.676 8.441 14.832 1.00 0.00 O flip ATOM 1461 ND2 ASN A 94 92.468 6.378 14.149 1.00 0.00 N flip ATOM 0 H ASN A 94 94.003 10.121 12.678 1.00 0.00 H new ATOM 0 HA ASN A 94 94.964 9.335 14.610 1.00 0.00 H new ATOM 0 HB2 ASN A 94 94.833 6.665 13.120 1.00 0.00 H new ATOM 0 HB3 ASN A 94 95.224 6.824 14.821 1.00 0.00 H new ATOM 0 HD21 ASN A 94 92.863 5.520 13.764 1.00 0.00 H new ATOM 0 HD22 ASN A 94 91.474 6.426 14.375 1.00 0.00 H new ATOM 1468 N ASP A 95 97.168 9.162 12.414 1.00 0.00 N ATOM 1469 CA ASP A 95 98.633 9.178 12.121 1.00 0.00 C ATOM 1470 C ASP A 95 99.206 7.759 12.192 1.00 0.00 C ATOM 1471 O ASP A 95 100.387 7.574 12.406 1.00 0.00 O ATOM 1472 CB ASP A 95 99.350 10.057 13.148 1.00 0.00 C ATOM 1473 CG ASP A 95 100.827 10.182 12.769 1.00 0.00 C ATOM 1474 OD1 ASP A 95 101.235 9.528 11.824 1.00 0.00 O ATOM 1475 OD2 ASP A 95 101.526 10.931 13.429 1.00 0.00 O ATOM 0 H ASP A 95 96.581 9.553 11.677 1.00 0.00 H new ATOM 0 HA ASP A 95 98.784 9.576 11.118 1.00 0.00 H new ATOM 0 HB2 ASP A 95 98.888 11.044 13.184 1.00 0.00 H new ATOM 0 HB3 ASP A 95 99.254 9.624 14.144 1.00 0.00 H new ATOM 1480 N SER A 96 98.392 6.751 12.010 1.00 0.00 N ATOM 1481 CA SER A 96 98.928 5.360 12.066 1.00 0.00 C ATOM 1482 C SER A 96 98.260 4.507 10.988 1.00 0.00 C ATOM 1483 O SER A 96 98.393 3.299 10.970 1.00 0.00 O ATOM 1484 CB SER A 96 98.647 4.745 13.448 1.00 0.00 C ATOM 1485 OG SER A 96 99.489 5.348 14.426 1.00 0.00 O ATOM 0 H SER A 96 97.392 6.830 11.827 1.00 0.00 H new ATOM 0 HA SER A 96 100.004 5.388 11.895 1.00 0.00 H new ATOM 0 HB2 SER A 96 97.601 4.892 13.715 1.00 0.00 H new ATOM 0 HB3 SER A 96 98.820 3.669 13.419 1.00 0.00 H new ATOM 0 HG SER A 96 99.305 4.954 15.304 1.00 0.00 H new ATOM 1491 N LEU A 97 97.549 5.116 10.081 1.00 0.00 N ATOM 1492 CA LEU A 97 96.890 4.316 9.012 1.00 0.00 C ATOM 1493 C LEU A 97 97.763 4.358 7.762 1.00 0.00 C ATOM 1494 O LEU A 97 97.392 4.925 6.759 1.00 0.00 O ATOM 1495 CB LEU A 97 95.515 4.914 8.690 1.00 0.00 C ATOM 1496 CG LEU A 97 94.490 4.502 9.750 1.00 0.00 C ATOM 1497 CD1 LEU A 97 93.996 3.077 9.469 1.00 0.00 C ATOM 1498 CD2 LEU A 97 95.124 4.546 11.139 1.00 0.00 C ATOM 0 H LEU A 97 97.396 6.123 10.033 1.00 0.00 H new ATOM 0 HA LEU A 97 96.762 3.287 9.348 1.00 0.00 H new ATOM 0 HB2 LEU A 97 95.586 6.001 8.647 1.00 0.00 H new ATOM 0 HB3 LEU A 97 95.186 4.577 7.707 1.00 0.00 H new ATOM 0 HG LEU A 97 93.651 5.196 9.713 1.00 0.00 H new ATOM 0 HD11 LEU A 97 93.267 2.789 10.226 1.00 0.00 H new ATOM 0 HD12 LEU A 97 93.530 3.041 8.484 1.00 0.00 H new ATOM 0 HD13 LEU A 97 94.840 2.387 9.497 1.00 0.00 H new ATOM 0 HD21 LEU A 97 94.386 4.251 11.885 1.00 0.00 H new ATOM 0 HD22 LEU A 97 95.970 3.860 11.175 1.00 0.00 H new ATOM 0 HD23 LEU A 97 95.469 5.558 11.350 1.00 0.00 H new ATOM 1510 N ASN A 98 98.928 3.784 7.813 1.00 0.00 N ATOM 1511 CA ASN A 98 99.820 3.834 6.630 1.00 0.00 C ATOM 1512 C ASN A 98 99.387 2.800 5.594 1.00 0.00 C ATOM 1513 O ASN A 98 99.972 1.750 5.472 1.00 0.00 O ATOM 1514 CB ASN A 98 101.250 3.586 7.108 1.00 0.00 C ATOM 1515 CG ASN A 98 101.366 2.189 7.722 1.00 0.00 C ATOM 1516 OD1 ASN A 98 101.457 2.076 9.016 1.00 0.00 O flip ATOM 1517 ND2 ASN A 98 101.376 1.195 7.022 1.00 0.00 N flip ATOM 0 H ASN A 98 99.300 3.284 8.621 1.00 0.00 H new ATOM 0 HA ASN A 98 99.764 4.810 6.147 1.00 0.00 H new ATOM 0 HB2 ASN A 98 101.943 3.683 6.272 1.00 0.00 H new ATOM 0 HB3 ASN A 98 101.531 4.339 7.844 1.00 0.00 H new ATOM 0 HD21 ASN A 98 101.305 1.284 6.008 1.00 0.00 H new ATOM 0 HD22 ASN A 98 101.456 0.272 7.448 1.00 0.00 H new ATOM 1524 N VAL A 99 98.361 3.105 4.837 1.00 0.00 N ATOM 1525 CA VAL A 99 97.880 2.149 3.797 1.00 0.00 C ATOM 1526 C VAL A 99 96.919 2.859 2.846 1.00 0.00 C ATOM 1527 O VAL A 99 96.273 3.825 3.200 1.00 0.00 O ATOM 1528 CB VAL A 99 97.152 0.989 4.470 1.00 0.00 C ATOM 1529 CG1 VAL A 99 96.376 0.185 3.425 1.00 0.00 C ATOM 1530 CG2 VAL A 99 98.166 0.077 5.150 1.00 0.00 C ATOM 0 H VAL A 99 97.836 3.978 4.897 1.00 0.00 H new ATOM 0 HA VAL A 99 98.735 1.772 3.235 1.00 0.00 H new ATOM 0 HB VAL A 99 96.458 1.386 5.211 1.00 0.00 H new ATOM 0 HG11 VAL A 99 95.859 -0.641 3.912 1.00 0.00 H new ATOM 0 HG12 VAL A 99 95.647 0.831 2.936 1.00 0.00 H new ATOM 0 HG13 VAL A 99 97.068 -0.209 2.681 1.00 0.00 H new ATOM 0 HG21 VAL A 99 97.645 -0.751 5.631 1.00 0.00 H new ATOM 0 HG22 VAL A 99 98.860 -0.313 4.406 1.00 0.00 H new ATOM 0 HG23 VAL A 99 98.718 0.643 5.900 1.00 0.00 H new ATOM 1540 N THR A 100 96.810 2.377 1.639 1.00 0.00 N ATOM 1541 CA THR A 100 95.882 3.016 0.661 1.00 0.00 C ATOM 1542 C THR A 100 95.005 1.945 0.018 1.00 0.00 C ATOM 1543 O THR A 100 95.303 0.771 0.071 1.00 0.00 O ATOM 1544 CB THR A 100 96.669 3.694 -0.455 1.00 0.00 C ATOM 1545 OG1 THR A 100 97.386 2.706 -1.186 1.00 0.00 O ATOM 1546 CG2 THR A 100 97.650 4.715 0.126 1.00 0.00 C ATOM 0 H THR A 100 97.323 1.569 1.287 1.00 0.00 H new ATOM 0 HA THR A 100 95.278 3.750 1.194 1.00 0.00 H new ATOM 0 HB THR A 100 95.975 4.215 -1.115 1.00 0.00 H new ATOM 0 HG1 THR A 100 97.449 2.976 -2.126 1.00 0.00 H new ATOM 0 HG21 THR A 100 98.204 5.190 -0.684 1.00 0.00 H new ATOM 0 HG22 THR A 100 97.099 5.473 0.682 1.00 0.00 H new ATOM 0 HG23 THR A 100 98.347 4.210 0.795 1.00 0.00 H new ATOM 1554 N LEU A 101 93.939 2.337 -0.617 1.00 0.00 N ATOM 1555 CA LEU A 101 93.082 1.324 -1.277 1.00 0.00 C ATOM 1556 C LEU A 101 93.745 0.939 -2.605 1.00 0.00 C ATOM 1557 O LEU A 101 93.256 1.245 -3.673 1.00 0.00 O ATOM 1558 CB LEU A 101 91.699 1.931 -1.527 1.00 0.00 C ATOM 1559 CG LEU A 101 91.067 2.324 -0.182 1.00 0.00 C ATOM 1560 CD1 LEU A 101 91.809 3.519 0.418 1.00 0.00 C ATOM 1561 CD2 LEU A 101 89.594 2.701 -0.392 1.00 0.00 C ATOM 0 H LEU A 101 93.628 3.304 -0.706 1.00 0.00 H new ATOM 0 HA LEU A 101 92.967 0.438 -0.653 1.00 0.00 H new ATOM 0 HB2 LEU A 101 91.784 2.806 -2.172 1.00 0.00 H new ATOM 0 HB3 LEU A 101 91.063 1.214 -2.045 1.00 0.00 H new ATOM 0 HG LEU A 101 91.137 1.476 0.499 1.00 0.00 H new ATOM 0 HD11 LEU A 101 91.353 3.789 1.371 1.00 0.00 H new ATOM 0 HD12 LEU A 101 92.854 3.255 0.578 1.00 0.00 H new ATOM 0 HD13 LEU A 101 91.749 4.365 -0.266 1.00 0.00 H new ATOM 0 HD21 LEU A 101 89.150 2.979 0.564 1.00 0.00 H new ATOM 0 HD22 LEU A 101 89.529 3.543 -1.081 1.00 0.00 H new ATOM 0 HD23 LEU A 101 89.056 1.849 -0.808 1.00 0.00 H new ATOM 1573 N ALA A 102 94.880 0.293 -2.537 1.00 0.00 N ATOM 1574 CA ALA A 102 95.598 -0.080 -3.788 1.00 0.00 C ATOM 1575 C ALA A 102 95.204 -1.485 -4.266 1.00 0.00 C ATOM 1576 O ALA A 102 95.375 -1.819 -5.422 1.00 0.00 O ATOM 1577 CB ALA A 102 97.108 -0.049 -3.531 1.00 0.00 C ATOM 0 H ALA A 102 95.338 0.009 -1.671 1.00 0.00 H new ATOM 0 HA ALA A 102 95.323 0.637 -4.562 1.00 0.00 H new ATOM 0 HB1 ALA A 102 97.638 -0.321 -4.444 1.00 0.00 H new ATOM 0 HB2 ALA A 102 97.404 0.954 -3.225 1.00 0.00 H new ATOM 0 HB3 ALA A 102 97.357 -0.758 -2.741 1.00 0.00 H new ATOM 1583 N TYR A 103 94.718 -2.327 -3.393 1.00 0.00 N ATOM 1584 CA TYR A 103 94.374 -3.703 -3.829 1.00 0.00 C ATOM 1585 C TYR A 103 92.897 -4.019 -3.542 1.00 0.00 C ATOM 1586 O TYR A 103 92.372 -3.690 -2.497 1.00 0.00 O ATOM 1587 CB TYR A 103 95.277 -4.674 -3.072 1.00 0.00 C ATOM 1588 CG TYR A 103 96.713 -4.451 -3.489 1.00 0.00 C ATOM 1589 CD1 TYR A 103 97.193 -5.035 -4.666 1.00 0.00 C ATOM 1590 CD2 TYR A 103 97.567 -3.672 -2.697 1.00 0.00 C ATOM 1591 CE1 TYR A 103 98.526 -4.844 -5.052 1.00 0.00 C ATOM 1592 CE2 TYR A 103 98.902 -3.484 -3.080 1.00 0.00 C ATOM 1593 CZ TYR A 103 99.381 -4.069 -4.259 1.00 0.00 C ATOM 1594 OH TYR A 103 100.699 -3.891 -4.632 1.00 0.00 O ATOM 0 H TYR A 103 94.547 -2.121 -2.409 1.00 0.00 H new ATOM 0 HA TYR A 103 94.525 -3.798 -4.904 1.00 0.00 H new ATOM 0 HB2 TYR A 103 95.171 -4.524 -1.998 1.00 0.00 H new ATOM 0 HB3 TYR A 103 94.981 -5.702 -3.281 1.00 0.00 H new ATOM 0 HD1 TYR A 103 96.535 -5.634 -5.278 1.00 0.00 H new ATOM 0 HD2 TYR A 103 97.196 -3.216 -1.791 1.00 0.00 H new ATOM 0 HE1 TYR A 103 98.894 -5.295 -5.962 1.00 0.00 H new ATOM 0 HE2 TYR A 103 99.561 -2.888 -2.466 1.00 0.00 H new ATOM 0 HH TYR A 103 101.152 -3.326 -3.972 1.00 0.00 H new ATOM 1604 N PRO A 104 92.236 -4.662 -4.475 1.00 0.00 N ATOM 1605 CA PRO A 104 90.794 -5.049 -4.343 1.00 0.00 C ATOM 1606 C PRO A 104 90.621 -6.291 -3.454 1.00 0.00 C ATOM 1607 O PRO A 104 91.542 -7.061 -3.268 1.00 0.00 O ATOM 1608 CB PRO A 104 90.397 -5.353 -5.779 1.00 0.00 C ATOM 1609 CG PRO A 104 91.640 -5.862 -6.417 1.00 0.00 C ATOM 1610 CD PRO A 104 92.790 -5.101 -5.770 1.00 0.00 C ATOM 0 HA PRO A 104 90.186 -4.275 -3.874 1.00 0.00 H new ATOM 0 HB2 PRO A 104 89.599 -6.094 -5.820 1.00 0.00 H new ATOM 0 HB3 PRO A 104 90.029 -4.460 -6.285 1.00 0.00 H new ATOM 0 HG2 PRO A 104 91.747 -6.935 -6.261 1.00 0.00 H new ATOM 0 HG3 PRO A 104 91.621 -5.697 -7.494 1.00 0.00 H new ATOM 0 HD2 PRO A 104 93.665 -5.737 -5.636 1.00 0.00 H new ATOM 0 HD3 PRO A 104 93.102 -4.253 -6.380 1.00 0.00 H new ATOM 1618 N VAL A 105 89.460 -6.472 -2.887 1.00 0.00 N ATOM 1619 CA VAL A 105 89.235 -7.645 -1.987 1.00 0.00 C ATOM 1620 C VAL A 105 88.661 -8.849 -2.742 1.00 0.00 C ATOM 1621 O VAL A 105 88.847 -9.979 -2.333 1.00 0.00 O ATOM 1622 CB VAL A 105 88.272 -7.240 -0.856 1.00 0.00 C ATOM 1623 CG1 VAL A 105 86.878 -6.928 -1.419 1.00 0.00 C ATOM 1624 CG2 VAL A 105 88.151 -8.388 0.148 1.00 0.00 C ATOM 0 H VAL A 105 88.654 -5.858 -3.007 1.00 0.00 H new ATOM 0 HA VAL A 105 90.201 -7.943 -1.578 1.00 0.00 H new ATOM 0 HB VAL A 105 88.669 -6.350 -0.367 1.00 0.00 H new ATOM 0 HG11 VAL A 105 86.212 -6.644 -0.604 1.00 0.00 H new ATOM 0 HG12 VAL A 105 86.949 -6.107 -2.133 1.00 0.00 H new ATOM 0 HG13 VAL A 105 86.482 -7.811 -1.920 1.00 0.00 H new ATOM 0 HG21 VAL A 105 87.469 -8.101 0.949 1.00 0.00 H new ATOM 0 HG22 VAL A 105 87.765 -9.274 -0.357 1.00 0.00 H new ATOM 0 HG23 VAL A 105 89.132 -8.608 0.569 1.00 0.00 H new ATOM 1634 N TYR A 106 87.944 -8.644 -3.810 1.00 0.00 N ATOM 1635 CA TYR A 106 87.358 -9.815 -4.507 1.00 0.00 C ATOM 1636 C TYR A 106 87.597 -9.758 -6.015 1.00 0.00 C ATOM 1637 O TYR A 106 86.671 -9.678 -6.796 1.00 0.00 O ATOM 1638 CB TYR A 106 85.856 -9.864 -4.219 1.00 0.00 C ATOM 1639 CG TYR A 106 85.283 -11.101 -4.847 1.00 0.00 C ATOM 1640 CD1 TYR A 106 85.596 -12.357 -4.321 1.00 0.00 C ATOM 1641 CD2 TYR A 106 84.453 -10.995 -5.967 1.00 0.00 C ATOM 1642 CE1 TYR A 106 85.085 -13.513 -4.920 1.00 0.00 C ATOM 1643 CE2 TYR A 106 83.936 -12.148 -6.566 1.00 0.00 C ATOM 1644 CZ TYR A 106 84.255 -13.409 -6.045 1.00 0.00 C ATOM 1645 OH TYR A 106 83.753 -14.549 -6.638 1.00 0.00 O ATOM 0 H TYR A 106 87.742 -7.733 -4.223 1.00 0.00 H new ATOM 0 HA TYR A 106 87.846 -10.716 -4.134 1.00 0.00 H new ATOM 0 HB2 TYR A 106 85.678 -9.870 -3.144 1.00 0.00 H new ATOM 0 HB3 TYR A 106 85.366 -8.976 -4.619 1.00 0.00 H new ATOM 0 HD1 TYR A 106 86.232 -12.435 -3.452 1.00 0.00 H new ATOM 0 HD2 TYR A 106 84.211 -10.023 -6.370 1.00 0.00 H new ATOM 0 HE1 TYR A 106 85.330 -14.484 -4.516 1.00 0.00 H new ATOM 0 HE2 TYR A 106 83.292 -12.067 -7.429 1.00 0.00 H new ATOM 0 HH TYR A 106 83.195 -14.301 -7.405 1.00 0.00 H new ATOM 1655 N ALA A 107 88.825 -9.835 -6.436 1.00 0.00 N ATOM 1656 CA ALA A 107 89.101 -9.825 -7.904 1.00 0.00 C ATOM 1657 C ALA A 107 89.085 -11.270 -8.426 1.00 0.00 C ATOM 1658 O ALA A 107 89.566 -12.177 -7.776 1.00 0.00 O ATOM 1659 CB ALA A 107 90.474 -9.204 -8.179 1.00 0.00 C ATOM 0 H ALA A 107 89.647 -9.904 -5.836 1.00 0.00 H new ATOM 0 HA ALA A 107 88.337 -9.234 -8.409 1.00 0.00 H new ATOM 0 HB1 ALA A 107 90.664 -9.202 -9.252 1.00 0.00 H new ATOM 0 HB2 ALA A 107 90.492 -8.180 -7.806 1.00 0.00 H new ATOM 0 HB3 ALA A 107 91.245 -9.787 -7.675 1.00 0.00 H new