USER MOD reduce.3.24.130724 H: found=0, std=0, add=776, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 775 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 42 ASN : amide:sc= -0.662 K(o=-1.1,f=-4.5!) USER MOD Set 1.2: A 64 GLN : amide:sc= -0.469 K(o=-1.1,f=-1.9) USER MOD Set 2.1: A 51 SER OG : rot 83:sc= 1.88 USER MOD Set 2.2: A 56 LYS NZ :NH3+ -168:sc= 0.687 (180deg=0) USER MOD Set 3.1: A 13 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 14 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 1 SER N :NH3+ -169:sc= 0.17 (180deg=0.0109) USER MOD Set 4.2: A 2 GLN : amide:sc= 0.749 K(o=0.92,f=-5.2!) USER MOD Single : A 1 SER OG : rot 180:sc= 0.00733 USER MOD Single : A 3 GLN : amide:sc= -0.0141 K(o=-0.014,f=-1.8!) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 SER OG : rot 66:sc= 0.337 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 57:sc= 0.511 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 ASN : amide:sc= -0.51 K(o=-0.51,f=-1.4) USER MOD Single : A 27 MET CE :methyl -176:sc= 0 (180deg=-0.00525) USER MOD Single : A 31 ASN : amide:sc= -0.63 K(o=-0.63,f=-6.4!) USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 36 SER OG : rot 108:sc= 1.21 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= -0.0123 USER MOD Single : A 65 GLN : amide:sc= 0.0194 X(o=0.019,f=0) USER MOD Single : A 66 GLN : amide:sc=-0.00259 X(o=-0.0026,f=0) USER MOD Single : A 73 GLN : amide:sc= 0.365 X(o=0.37,f=0) USER MOD Single : A 80 SER OG : rot 154:sc= 0.876 USER MOD Single : A 89 GLN : amide:sc= 0.982 K(o=0.98,f=-0.85) USER MOD Single : A 91 LYS NZ :NH3+ 177:sc= 2.01 (180deg=2) USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=-0.0061) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 6.828 37.507 10.252 1.00 25.00 N ATOM 2 CA SER A 1 7.248 36.322 9.439 1.00 25.00 C ATOM 3 C SER A 1 6.096 35.544 8.821 1.00 25.00 C ATOM 4 O SER A 1 5.954 34.342 8.923 1.00 25.00 O ATOM 5 CB SER A 1 8.111 35.412 10.315 1.00 25.00 C ATOM 6 OG SER A 1 9.161 36.204 10.885 1.00 25.00 O ATOM 0 H1 SER A 1 7.662 38.085 10.480 1.00 25.00 H new ATOM 0 H2 SER A 1 6.150 38.078 9.709 1.00 25.00 H new ATOM 0 H3 SER A 1 6.380 37.183 11.133 1.00 25.00 H new ATOM 0 HA SER A 1 7.816 36.699 8.589 1.00 25.00 H new ATOM 0 HB2 SER A 1 7.508 34.958 11.101 1.00 25.00 H new ATOM 0 HB3 SER A 1 8.528 34.598 9.722 1.00 25.00 H new ATOM 0 HG SER A 1 9.726 35.639 11.453 1.00 25.00 H new ATOM 14 N GLN A 2 5.221 36.298 8.160 1.00 25.00 N ATOM 15 CA GLN A 2 4.043 35.749 7.503 1.00 25.00 C ATOM 16 C GLN A 2 4.453 34.922 6.287 1.00 25.00 C ATOM 17 O GLN A 2 5.336 35.308 5.524 1.00 25.00 O ATOM 18 CB GLN A 2 3.109 36.885 7.073 1.00 25.00 C ATOM 19 CG GLN A 2 2.642 37.784 8.229 1.00 25.00 C ATOM 20 CD GLN A 2 3.428 39.082 8.327 1.00 25.00 C ATOM 21 OE1 GLN A 2 4.639 39.083 8.509 1.00 25.00 O ATOM 22 NE2 GLN A 2 2.741 40.184 8.214 1.00 25.00 N ATOM 0 H GLN A 2 5.311 37.310 8.066 1.00 25.00 H new ATOM 0 HA GLN A 2 3.518 35.102 8.206 1.00 25.00 H new ATOM 0 HB2 GLN A 2 3.619 37.500 6.332 1.00 25.00 H new ATOM 0 HB3 GLN A 2 2.234 36.457 6.584 1.00 25.00 H new ATOM 0 HG2 GLN A 2 1.585 38.015 8.098 1.00 25.00 H new ATOM 0 HG3 GLN A 2 2.735 37.237 9.167 1.00 25.00 H new ATOM 0 HE21 GLN A 2 1.733 40.143 8.063 1.00 25.00 H new ATOM 0 HE22 GLN A 2 3.211 41.087 8.277 1.00 25.00 H new ATOM 31 N GLN A 3 3.814 33.767 6.122 1.00 25.00 N ATOM 32 CA GLN A 3 4.133 32.865 5.018 1.00 25.00 C ATOM 33 C GLN A 3 3.570 33.376 3.685 1.00 25.00 C ATOM 34 O GLN A 3 2.695 34.231 3.648 1.00 25.00 O ATOM 35 CB GLN A 3 3.595 31.462 5.307 1.00 25.00 C ATOM 36 CG GLN A 3 2.080 31.394 5.515 1.00 25.00 C ATOM 37 CD GLN A 3 1.514 30.056 5.112 1.00 25.00 C ATOM 38 OE1 GLN A 3 1.674 29.638 3.980 1.00 25.00 O ATOM 39 NE2 GLN A 3 0.866 29.382 6.026 1.00 25.00 N ATOM 0 H GLN A 3 3.073 33.433 6.738 1.00 25.00 H new ATOM 0 HA GLN A 3 5.219 32.826 4.930 1.00 25.00 H new ATOM 0 HB2 GLN A 3 3.865 30.805 4.480 1.00 25.00 H new ATOM 0 HB3 GLN A 3 4.089 31.073 6.197 1.00 25.00 H new ATOM 0 HG2 GLN A 3 1.849 31.584 6.563 1.00 25.00 H new ATOM 0 HG3 GLN A 3 1.599 32.181 4.934 1.00 25.00 H new ATOM 0 HE21 GLN A 3 0.755 29.770 6.963 1.00 25.00 H new ATOM 0 HE22 GLN A 3 0.471 28.468 5.802 1.00 25.00 H new ATOM 48 N SER A 4 4.083 32.823 2.593 1.00 25.00 N ATOM 49 CA SER A 4 3.687 33.221 1.238 1.00 25.00 C ATOM 50 C SER A 4 2.510 32.444 0.653 1.00 25.00 C ATOM 51 O SER A 4 2.236 32.575 -0.535 1.00 25.00 O ATOM 52 CB SER A 4 4.881 33.025 0.307 1.00 25.00 C ATOM 53 OG SER A 4 6.059 33.504 0.933 1.00 25.00 O ATOM 0 H SER A 4 4.786 32.085 2.617 1.00 25.00 H new ATOM 0 HA SER A 4 3.366 34.260 1.317 1.00 25.00 H new ATOM 0 HB2 SER A 4 4.992 31.969 0.060 1.00 25.00 H new ATOM 0 HB3 SER A 4 4.714 33.556 -0.630 1.00 25.00 H new ATOM 0 HG SER A 4 6.824 33.375 0.334 1.00 25.00 H new ATOM 59 N HIS A 5 1.851 31.625 1.470 1.00 25.00 N ATOM 60 CA HIS A 5 0.704 30.807 1.039 1.00 25.00 C ATOM 61 C HIS A 5 1.110 29.917 -0.142 1.00 25.00 C ATOM 62 O HIS A 5 0.402 29.796 -1.139 1.00 25.00 O ATOM 63 CB HIS A 5 -0.491 31.703 0.682 1.00 25.00 C ATOM 64 CG HIS A 5 -0.762 32.769 1.704 1.00 25.00 C ATOM 65 ND1 HIS A 5 -0.336 34.069 1.589 1.00 25.00 N ATOM 66 CD2 HIS A 5 -1.423 32.717 2.893 1.00 25.00 C ATOM 67 CE1 HIS A 5 -0.723 34.732 2.678 1.00 25.00 C ATOM 68 NE2 HIS A 5 -1.388 33.956 3.511 1.00 25.00 N ATOM 0 H HIS A 5 2.093 31.505 2.454 1.00 25.00 H new ATOM 0 HA HIS A 5 0.397 30.161 1.861 1.00 25.00 H new ATOM 0 HB2 HIS A 5 -0.307 32.174 -0.284 1.00 25.00 H new ATOM 0 HB3 HIS A 5 -1.380 31.083 0.570 1.00 25.00 H new ATOM 0 HD2 HIS A 5 -1.904 31.838 3.296 1.00 25.00 H new ATOM 0 HE1 HIS A 5 -0.517 35.777 2.857 1.00 25.00 H new ATOM 0 HE2 HIS A 5 -1.789 34.212 4.413 1.00 25.00 H new ATOM 76 N SER A 6 2.295 29.338 -0.024 1.00 25.00 N ATOM 77 CA SER A 6 2.893 28.531 -1.081 1.00 25.00 C ATOM 78 C SER A 6 3.565 27.335 -0.428 1.00 25.00 C ATOM 79 O SER A 6 3.693 27.296 0.791 1.00 25.00 O ATOM 80 CB SER A 6 3.945 29.349 -1.830 1.00 25.00 C ATOM 81 OG SER A 6 3.374 30.482 -2.447 1.00 25.00 O ATOM 0 H SER A 6 2.874 29.414 0.812 1.00 25.00 H new ATOM 0 HA SER A 6 2.127 28.211 -1.788 1.00 25.00 H new ATOM 0 HB2 SER A 6 4.724 29.665 -1.136 1.00 25.00 H new ATOM 0 HB3 SER A 6 4.424 28.725 -2.584 1.00 25.00 H new ATOM 0 HG SER A 6 3.051 31.101 -1.759 1.00 25.00 H new ATOM 87 N SER A 7 4.041 26.394 -1.237 1.00 25.00 N ATOM 88 CA SER A 7 4.779 25.221 -0.732 1.00 25.00 C ATOM 89 C SER A 7 6.261 25.273 -1.141 1.00 25.00 C ATOM 90 O SER A 7 6.665 24.638 -2.110 1.00 25.00 O ATOM 91 CB SER A 7 4.140 23.941 -1.276 1.00 25.00 C ATOM 92 OG SER A 7 2.761 23.888 -0.931 1.00 25.00 O ATOM 0 H SER A 7 3.933 26.413 -2.251 1.00 25.00 H new ATOM 0 HA SER A 7 4.728 25.229 0.357 1.00 25.00 H new ATOM 0 HB2 SER A 7 4.252 23.904 -2.360 1.00 25.00 H new ATOM 0 HB3 SER A 7 4.656 23.070 -0.872 1.00 25.00 H new ATOM 0 HG SER A 7 2.366 23.065 -1.287 1.00 25.00 H new ATOM 98 N PRO A 8 7.087 26.075 -0.436 1.00 25.00 N ATOM 99 CA PRO A 8 8.505 26.169 -0.814 1.00 25.00 C ATOM 100 C PRO A 8 9.353 24.969 -0.355 1.00 25.00 C ATOM 101 O PRO A 8 9.997 24.998 0.693 1.00 25.00 O ATOM 102 CB PRO A 8 8.951 27.457 -0.127 1.00 25.00 C ATOM 103 CG PRO A 8 8.136 27.495 1.124 1.00 25.00 C ATOM 104 CD PRO A 8 6.786 26.944 0.718 1.00 25.00 C ATOM 0 HA PRO A 8 8.635 26.169 -1.896 1.00 25.00 H new ATOM 0 HB2 PRO A 8 10.019 27.445 0.092 1.00 25.00 H new ATOM 0 HB3 PRO A 8 8.764 28.330 -0.753 1.00 25.00 H new ATOM 0 HG2 PRO A 8 8.590 26.892 1.911 1.00 25.00 H new ATOM 0 HG3 PRO A 8 8.050 28.511 1.510 1.00 25.00 H new ATOM 0 HD2 PRO A 8 6.323 26.383 1.530 1.00 25.00 H new ATOM 0 HD3 PRO A 8 6.094 27.742 0.447 1.00 25.00 H new ATOM 112 N GLY A 9 9.335 23.916 -1.155 1.00 25.00 N ATOM 113 CA GLY A 9 10.101 22.718 -0.849 1.00 25.00 C ATOM 114 C GLY A 9 11.125 22.350 -1.903 1.00 25.00 C ATOM 115 O GLY A 9 12.325 22.381 -1.653 1.00 25.00 O ATOM 0 H GLY A 9 8.799 23.866 -2.021 1.00 25.00 H new ATOM 0 HA2 GLY A 9 10.611 22.860 0.104 1.00 25.00 H new ATOM 0 HA3 GLY A 9 9.412 21.883 -0.720 1.00 25.00 H new ATOM 119 N GLU A 10 10.656 22.013 -3.092 1.00 25.00 N ATOM 120 CA GLU A 10 11.523 21.503 -4.154 1.00 25.00 C ATOM 121 C GLU A 10 12.197 22.572 -5.010 1.00 25.00 C ATOM 122 O GLU A 10 12.540 22.339 -6.163 1.00 25.00 O ATOM 123 CB GLU A 10 10.723 20.565 -5.060 1.00 25.00 C ATOM 124 CG GLU A 10 10.145 19.366 -4.327 1.00 25.00 C ATOM 125 CD GLU A 10 9.466 18.386 -5.277 1.00 25.00 C ATOM 126 OE1 GLU A 10 9.956 17.241 -5.412 1.00 25.00 O ATOM 127 OE2 GLU A 10 8.451 18.767 -5.890 1.00 25.00 O ATOM 0 H GLU A 10 9.672 22.082 -3.353 1.00 25.00 H new ATOM 0 HA GLU A 10 12.331 20.980 -3.642 1.00 25.00 H new ATOM 0 HB2 GLU A 10 9.910 21.125 -5.523 1.00 25.00 H new ATOM 0 HB3 GLU A 10 11.367 20.213 -5.866 1.00 25.00 H new ATOM 0 HG2 GLU A 10 10.941 18.854 -3.786 1.00 25.00 H new ATOM 0 HG3 GLU A 10 9.425 19.708 -3.584 1.00 25.00 H new ATOM 134 N ILE A 11 12.421 23.747 -4.438 1.00 25.00 N ATOM 135 CA ILE A 11 13.026 24.844 -5.138 1.00 25.00 C ATOM 136 C ILE A 11 14.537 24.687 -5.219 1.00 25.00 C ATOM 137 O ILE A 11 15.261 25.530 -5.759 1.00 25.00 O ATOM 138 CB ILE A 11 12.734 26.187 -4.405 1.00 25.00 C ATOM 139 CG1 ILE A 11 11.774 26.078 -3.195 1.00 25.00 C ATOM 140 CG2 ILE A 11 12.171 27.180 -5.381 1.00 25.00 C ATOM 141 CD1 ILE A 11 12.516 25.807 -1.868 1.00 25.00 C ATOM 0 H ILE A 11 12.182 23.955 -3.468 1.00 25.00 H new ATOM 0 HA ILE A 11 12.600 24.850 -6.141 1.00 25.00 H new ATOM 0 HB ILE A 11 13.694 26.510 -4.002 1.00 25.00 H new ATOM 0 HG12 ILE A 11 11.203 27.002 -3.105 1.00 25.00 H new ATOM 0 HG13 ILE A 11 11.057 25.277 -3.376 1.00 25.00 H new ATOM 0 HG21 ILE A 11 11.967 28.119 -4.867 1.00 25.00 H new ATOM 0 HG22 ILE A 11 12.891 27.353 -6.181 1.00 25.00 H new ATOM 0 HG23 ILE A 11 11.246 26.790 -5.804 1.00 25.00 H new ATOM 0 HD11 ILE A 11 11.794 25.740 -1.054 1.00 25.00 H new ATOM 0 HD12 ILE A 11 13.065 24.869 -1.943 1.00 25.00 H new ATOM 0 HD13 ILE A 11 13.213 26.621 -1.668 1.00 25.00 H new ATOM 153 N THR A 12 15.010 23.605 -4.644 1.00 25.00 N ATOM 154 CA THR A 12 16.435 23.340 -4.541 1.00 25.00 C ATOM 155 C THR A 12 16.965 22.480 -5.674 1.00 25.00 C ATOM 156 O THR A 12 17.240 21.286 -5.519 1.00 25.00 O ATOM 157 CB THR A 12 16.770 22.675 -3.234 1.00 25.00 C ATOM 158 OG1 THR A 12 16.028 21.459 -3.101 1.00 25.00 O ATOM 159 CG2 THR A 12 16.429 23.571 -2.058 1.00 25.00 C ATOM 0 H THR A 12 14.421 22.881 -4.233 1.00 25.00 H new ATOM 0 HA THR A 12 16.918 24.315 -4.602 1.00 25.00 H new ATOM 0 HB THR A 12 17.841 22.472 -3.233 1.00 25.00 H new ATOM 0 HG1 THR A 12 16.218 20.875 -3.864 1.00 25.00 H new ATOM 0 HG21 THR A 12 16.682 23.063 -1.128 1.00 25.00 H new ATOM 0 HG22 THR A 12 16.997 24.499 -2.131 1.00 25.00 H new ATOM 0 HG23 THR A 12 15.363 23.796 -2.069 1.00 25.00 H new ATOM 167 N SER A 13 17.127 23.121 -6.811 1.00 25.00 N ATOM 168 CA SER A 13 17.668 22.485 -8.000 1.00 25.00 C ATOM 169 C SER A 13 18.333 23.570 -8.837 1.00 25.00 C ATOM 170 O SER A 13 17.951 24.723 -8.736 1.00 25.00 O ATOM 171 CB SER A 13 16.546 21.821 -8.810 1.00 25.00 C ATOM 172 OG SER A 13 17.072 21.144 -9.953 1.00 25.00 O ATOM 0 H SER A 13 16.887 24.104 -6.941 1.00 25.00 H new ATOM 0 HA SER A 13 18.385 21.713 -7.721 1.00 25.00 H new ATOM 0 HB2 SER A 13 16.007 21.113 -8.180 1.00 25.00 H new ATOM 0 HB3 SER A 13 15.827 22.576 -9.129 1.00 25.00 H new ATOM 0 HG SER A 13 16.339 20.727 -10.452 1.00 25.00 H new ATOM 178 N SER A 14 19.323 23.176 -9.630 1.00 25.00 N ATOM 179 CA SER A 14 20.055 24.078 -10.545 1.00 25.00 C ATOM 180 C SER A 14 20.191 25.541 -10.095 1.00 25.00 C ATOM 181 O SER A 14 19.597 26.432 -10.695 1.00 25.00 O ATOM 182 CB SER A 14 19.366 24.029 -11.906 1.00 25.00 C ATOM 183 OG SER A 14 19.310 22.687 -12.352 1.00 25.00 O ATOM 0 H SER A 14 19.653 22.211 -9.664 1.00 25.00 H new ATOM 0 HA SER A 14 21.080 23.708 -10.569 1.00 25.00 H new ATOM 0 HB2 SER A 14 18.360 24.443 -11.833 1.00 25.00 H new ATOM 0 HB3 SER A 14 19.911 24.641 -12.625 1.00 25.00 H new ATOM 0 HG SER A 14 18.867 22.651 -13.225 1.00 25.00 H new ATOM 189 N PRO A 15 21.015 25.811 -9.057 1.00 25.00 N ATOM 190 CA PRO A 15 21.171 27.184 -8.545 1.00 25.00 C ATOM 191 C PRO A 15 21.919 28.122 -9.456 1.00 25.00 C ATOM 192 O PRO A 15 22.082 29.306 -9.164 1.00 25.00 O ATOM 193 CB PRO A 15 21.974 26.973 -7.269 1.00 25.00 C ATOM 194 CG PRO A 15 22.786 25.790 -7.535 1.00 25.00 C ATOM 195 CD PRO A 15 21.842 24.868 -8.274 1.00 25.00 C ATOM 0 HA PRO A 15 20.197 27.659 -8.424 1.00 25.00 H new ATOM 0 HB2 PRO A 15 22.597 27.839 -7.045 1.00 25.00 H new ATOM 0 HB3 PRO A 15 21.320 26.820 -6.410 1.00 25.00 H new ATOM 0 HG2 PRO A 15 23.662 26.032 -8.136 1.00 25.00 H new ATOM 0 HG3 PRO A 15 23.148 25.337 -6.612 1.00 25.00 H new ATOM 0 HD2 PRO A 15 22.378 24.170 -8.916 1.00 25.00 H new ATOM 0 HD3 PRO A 15 21.239 24.272 -7.589 1.00 25.00 H new ATOM 203 N GLN A 16 22.411 27.545 -10.536 1.00 25.00 N ATOM 204 CA GLN A 16 23.226 28.186 -11.570 1.00 25.00 C ATOM 205 C GLN A 16 24.626 28.562 -11.080 1.00 25.00 C ATOM 206 O GLN A 16 25.588 28.331 -11.779 1.00 25.00 O ATOM 207 CB GLN A 16 22.501 29.389 -12.184 1.00 25.00 C ATOM 208 CG GLN A 16 22.891 29.622 -13.626 1.00 25.00 C ATOM 209 CD GLN A 16 22.092 30.743 -14.257 1.00 25.00 C ATOM 210 OE1 GLN A 16 22.314 31.906 -13.982 1.00 25.00 O ATOM 211 NE2 GLN A 16 21.160 30.394 -15.099 1.00 25.00 N ATOM 0 H GLN A 16 22.247 26.558 -10.734 1.00 25.00 H new ATOM 0 HA GLN A 16 23.370 27.443 -12.354 1.00 25.00 H new ATOM 0 HB2 GLN A 16 21.424 29.231 -12.123 1.00 25.00 H new ATOM 0 HB3 GLN A 16 22.726 30.282 -11.601 1.00 25.00 H new ATOM 0 HG2 GLN A 16 23.953 29.859 -13.680 1.00 25.00 H new ATOM 0 HG3 GLN A 16 22.740 28.705 -14.195 1.00 25.00 H new ATOM 0 HE21 GLN A 16 21.002 29.408 -15.305 1.00 25.00 H new ATOM 0 HE22 GLN A 16 20.588 31.107 -15.552 1.00 25.00 H new ATOM 220 N GLY A 17 24.746 29.007 -9.837 1.00 25.00 N ATOM 221 CA GLY A 17 26.048 29.237 -9.229 1.00 25.00 C ATOM 222 C GLY A 17 26.715 27.958 -8.757 1.00 25.00 C ATOM 223 O GLY A 17 27.634 27.994 -7.957 1.00 25.00 O ATOM 0 H GLY A 17 23.954 29.216 -9.229 1.00 25.00 H new ATOM 0 HA2 GLY A 17 26.697 29.734 -9.950 1.00 25.00 H new ATOM 0 HA3 GLY A 17 25.933 29.914 -8.383 1.00 25.00 H new ATOM 227 N LEU A 18 26.248 26.814 -9.255 1.00 25.00 N ATOM 228 CA LEU A 18 26.837 25.520 -8.911 1.00 25.00 C ATOM 229 C LEU A 18 28.263 25.384 -9.461 1.00 25.00 C ATOM 230 O LEU A 18 29.108 24.762 -8.837 1.00 25.00 O ATOM 231 CB LEU A 18 25.954 24.373 -9.429 1.00 25.00 C ATOM 232 CG LEU A 18 25.733 24.293 -10.946 1.00 25.00 C ATOM 233 CD1 LEU A 18 26.552 23.148 -11.529 1.00 25.00 C ATOM 234 CD2 LEU A 18 24.251 24.100 -11.245 1.00 25.00 C ATOM 0 H LEU A 18 25.460 26.757 -9.901 1.00 25.00 H new ATOM 0 HA LEU A 18 26.893 25.462 -7.824 1.00 25.00 H new ATOM 0 HB2 LEU A 18 26.395 23.432 -9.101 1.00 25.00 H new ATOM 0 HB3 LEU A 18 24.979 24.453 -8.949 1.00 25.00 H new ATOM 0 HG LEU A 18 26.061 25.224 -11.408 1.00 25.00 H new ATOM 0 HD11 LEU A 18 26.391 23.097 -12.606 1.00 25.00 H new ATOM 0 HD12 LEU A 18 27.610 23.318 -11.328 1.00 25.00 H new ATOM 0 HD13 LEU A 18 26.242 22.209 -11.071 1.00 25.00 H new ATOM 0 HD21 LEU A 18 24.102 24.044 -12.323 1.00 25.00 H new ATOM 0 HD22 LEU A 18 23.904 23.176 -10.782 1.00 25.00 H new ATOM 0 HD23 LEU A 18 23.686 24.941 -10.844 1.00 25.00 H new ATOM 246 N ASP A 19 28.508 25.976 -10.623 1.00 25.00 N ATOM 247 CA ASP A 19 29.828 25.951 -11.259 1.00 25.00 C ATOM 248 C ASP A 19 30.585 27.206 -10.845 1.00 25.00 C ATOM 249 O ASP A 19 31.811 27.262 -10.868 1.00 25.00 O ATOM 250 CB ASP A 19 29.690 25.909 -12.783 1.00 25.00 C ATOM 251 CG ASP A 19 29.228 27.240 -13.377 1.00 25.00 C ATOM 252 OD1 ASP A 19 29.847 27.703 -14.351 1.00 25.00 O ATOM 253 OD2 ASP A 19 28.235 27.810 -12.868 1.00 25.00 O ATOM 0 H ASP A 19 27.802 26.487 -11.154 1.00 25.00 H new ATOM 0 HA ASP A 19 30.369 25.060 -10.942 1.00 25.00 H new ATOM 0 HB2 ASP A 19 30.649 25.635 -13.222 1.00 25.00 H new ATOM 0 HB3 ASP A 19 28.980 25.129 -13.057 1.00 25.00 H new ATOM 258 N ASN A 20 29.821 28.213 -10.457 1.00 25.00 N ATOM 259 CA ASN A 20 30.347 29.502 -10.061 1.00 25.00 C ATOM 260 C ASN A 20 30.059 29.790 -8.585 1.00 25.00 C ATOM 261 O ASN A 20 29.162 30.584 -8.245 1.00 25.00 O ATOM 262 CB ASN A 20 29.742 30.587 -10.954 1.00 25.00 C ATOM 263 CG ASN A 20 30.682 31.063 -12.030 1.00 25.00 C ATOM 264 OD1 ASN A 20 31.875 31.193 -11.817 1.00 25.00 O ATOM 265 ND2 ASN A 20 30.132 31.419 -13.147 1.00 25.00 N ATOM 0 H ASN A 20 28.804 28.154 -10.409 1.00 25.00 H new ATOM 0 HA ASN A 20 31.430 29.494 -10.183 1.00 25.00 H new ATOM 0 HB2 ASN A 20 28.834 30.202 -11.418 1.00 25.00 H new ATOM 0 HB3 ASN A 20 29.449 31.435 -10.336 1.00 25.00 H new ATOM 0 HD21 ASN A 20 30.702 31.826 -13.889 1.00 25.00 H new ATOM 0 HD22 ASN A 20 29.129 31.293 -13.285 1.00 25.00 H new ATOM 272 N PRO A 21 30.856 29.202 -7.684 1.00 25.00 N ATOM 273 CA PRO A 21 30.666 29.535 -6.272 1.00 25.00 C ATOM 274 C PRO A 21 30.968 30.993 -5.995 1.00 25.00 C ATOM 275 O PRO A 21 30.477 31.548 -5.039 1.00 25.00 O ATOM 276 CB PRO A 21 31.674 28.621 -5.565 1.00 25.00 C ATOM 277 CG PRO A 21 32.697 28.382 -6.565 1.00 25.00 C ATOM 278 CD PRO A 21 31.993 28.282 -7.860 1.00 25.00 C ATOM 0 HA PRO A 21 29.639 29.390 -5.938 1.00 25.00 H new ATOM 0 HB2 PRO A 21 32.089 29.097 -4.676 1.00 25.00 H new ATOM 0 HB3 PRO A 21 31.209 27.690 -5.240 1.00 25.00 H new ATOM 0 HG2 PRO A 21 33.424 29.194 -6.579 1.00 25.00 H new ATOM 0 HG3 PRO A 21 33.246 27.466 -6.349 1.00 25.00 H new ATOM 0 HD2 PRO A 21 32.631 28.581 -8.692 1.00 25.00 H new ATOM 0 HD3 PRO A 21 31.662 27.264 -8.063 1.00 25.00 H new ATOM 286 N ALA A 22 31.766 31.611 -6.854 1.00 25.00 N ATOM 287 CA ALA A 22 32.103 33.023 -6.731 1.00 25.00 C ATOM 288 C ALA A 22 30.839 33.887 -6.769 1.00 25.00 C ATOM 289 O ALA A 22 30.669 34.814 -5.976 1.00 25.00 O ATOM 290 CB ALA A 22 33.041 33.412 -7.880 1.00 25.00 C ATOM 0 H ALA A 22 32.198 31.149 -7.655 1.00 25.00 H new ATOM 0 HA ALA A 22 32.598 33.192 -5.775 1.00 25.00 H new ATOM 0 HB1 ALA A 22 33.299 34.468 -7.797 1.00 25.00 H new ATOM 0 HB2 ALA A 22 33.949 32.811 -7.828 1.00 25.00 H new ATOM 0 HB3 ALA A 22 32.542 33.234 -8.833 1.00 25.00 H new ATOM 296 N LEU A 23 29.973 33.566 -7.717 1.00 25.00 N ATOM 297 CA LEU A 23 28.737 34.298 -7.955 1.00 25.00 C ATOM 298 C LEU A 23 27.725 33.993 -6.866 1.00 25.00 C ATOM 299 O LEU A 23 27.033 34.875 -6.381 1.00 25.00 O ATOM 300 CB LEU A 23 28.145 33.872 -9.308 1.00 25.00 C ATOM 301 CG LEU A 23 28.705 34.478 -10.615 1.00 25.00 C ATOM 302 CD1 LEU A 23 28.256 35.910 -10.723 1.00 25.00 C ATOM 303 CD2 LEU A 23 30.239 34.424 -10.755 1.00 25.00 C ATOM 0 H LEU A 23 30.110 32.779 -8.352 1.00 25.00 H new ATOM 0 HA LEU A 23 28.958 35.365 -7.956 1.00 25.00 H new ATOM 0 HB2 LEU A 23 28.247 32.789 -9.381 1.00 25.00 H new ATOM 0 HB3 LEU A 23 27.077 34.090 -9.279 1.00 25.00 H new ATOM 0 HG LEU A 23 28.310 33.859 -11.421 1.00 25.00 H new ATOM 0 HD11 LEU A 23 28.647 36.345 -11.643 1.00 25.00 H new ATOM 0 HD12 LEU A 23 27.167 35.950 -10.737 1.00 25.00 H new ATOM 0 HD13 LEU A 23 28.629 36.474 -9.868 1.00 25.00 H new ATOM 0 HD21 LEU A 23 30.534 34.873 -11.704 1.00 25.00 H new ATOM 0 HD22 LEU A 23 30.699 34.975 -9.934 1.00 25.00 H new ATOM 0 HD23 LEU A 23 30.571 33.386 -10.726 1.00 25.00 H new ATOM 315 N LEU A 24 27.633 32.727 -6.490 1.00 25.00 N ATOM 316 CA LEU A 24 26.669 32.316 -5.477 1.00 25.00 C ATOM 317 C LEU A 24 27.034 32.905 -4.116 1.00 25.00 C ATOM 318 O LEU A 24 26.166 33.361 -3.383 1.00 25.00 O ATOM 319 CB LEU A 24 26.614 30.790 -5.405 1.00 25.00 C ATOM 320 CG LEU A 24 25.564 30.155 -4.479 1.00 25.00 C ATOM 321 CD1 LEU A 24 24.180 30.814 -4.558 1.00 25.00 C ATOM 322 CD2 LEU A 24 25.434 28.679 -4.857 1.00 25.00 C ATOM 0 H LEU A 24 28.207 31.972 -6.865 1.00 25.00 H new ATOM 0 HA LEU A 24 25.684 32.693 -5.754 1.00 25.00 H new ATOM 0 HB2 LEU A 24 26.444 30.413 -6.413 1.00 25.00 H new ATOM 0 HB3 LEU A 24 27.596 30.434 -5.093 1.00 25.00 H new ATOM 0 HG LEU A 24 25.909 30.295 -3.455 1.00 25.00 H new ATOM 0 HD11 LEU A 24 23.497 30.309 -3.875 1.00 25.00 H new ATOM 0 HD12 LEU A 24 24.261 31.865 -4.279 1.00 25.00 H new ATOM 0 HD13 LEU A 24 23.798 30.738 -5.576 1.00 25.00 H new ATOM 0 HD21 LEU A 24 24.694 28.203 -4.214 1.00 25.00 H new ATOM 0 HD22 LEU A 24 25.119 28.596 -5.897 1.00 25.00 H new ATOM 0 HD23 LEU A 24 26.397 28.185 -4.730 1.00 25.00 H new ATOM 334 N ARG A 25 28.326 32.949 -3.816 1.00 25.00 N ATOM 335 CA ARG A 25 28.824 33.572 -2.593 1.00 25.00 C ATOM 336 C ARG A 25 28.386 35.025 -2.555 1.00 25.00 C ATOM 337 O ARG A 25 27.940 35.517 -1.529 1.00 25.00 O ATOM 338 CB ARG A 25 30.360 33.465 -2.576 1.00 25.00 C ATOM 339 CG ARG A 25 31.077 34.148 -1.402 1.00 25.00 C ATOM 340 CD ARG A 25 31.507 35.582 -1.728 1.00 25.00 C ATOM 341 NE ARG A 25 32.427 35.665 -2.873 1.00 25.00 N ATOM 342 CZ ARG A 25 33.749 35.813 -2.799 1.00 25.00 C ATOM 343 NH1 ARG A 25 34.397 35.881 -1.658 1.00 25.00 N ATOM 344 NH2 ARG A 25 34.433 35.903 -3.903 1.00 25.00 N ATOM 0 H ARG A 25 29.056 32.556 -4.410 1.00 25.00 H new ATOM 0 HA ARG A 25 28.421 33.067 -1.715 1.00 25.00 H new ATOM 0 HB2 ARG A 25 30.629 32.409 -2.573 1.00 25.00 H new ATOM 0 HB3 ARG A 25 30.743 33.889 -3.504 1.00 25.00 H new ATOM 0 HG2 ARG A 25 30.417 34.159 -0.535 1.00 25.00 H new ATOM 0 HG3 ARG A 25 31.955 33.563 -1.127 1.00 25.00 H new ATOM 0 HD2 ARG A 25 30.621 36.181 -1.938 1.00 25.00 H new ATOM 0 HD3 ARG A 25 31.987 36.019 -0.852 1.00 25.00 H new ATOM 0 HE ARG A 25 32.017 35.604 -3.805 1.00 25.00 H new ATOM 0 HH11 ARG A 25 33.886 35.820 -0.777 1.00 25.00 H new ATOM 0 HH12 ARG A 25 35.411 35.995 -1.653 1.00 25.00 H new ATOM 0 HH21 ARG A 25 33.956 35.860 -4.804 1.00 25.00 H new ATOM 0 HH22 ARG A 25 35.446 36.017 -3.867 1.00 25.00 H new ATOM 358 N ASP A 26 28.530 35.705 -3.680 1.00 25.00 N ATOM 359 CA ASP A 26 28.214 37.127 -3.761 1.00 25.00 C ATOM 360 C ASP A 26 26.712 37.363 -3.563 1.00 25.00 C ATOM 361 O ASP A 26 26.306 38.187 -2.749 1.00 25.00 O ATOM 362 CB ASP A 26 28.665 37.667 -5.113 1.00 25.00 C ATOM 363 CG ASP A 26 28.781 39.177 -5.126 1.00 25.00 C ATOM 364 OD1 ASP A 26 27.768 39.863 -5.343 1.00 25.00 O ATOM 365 OD2 ASP A 26 29.916 39.667 -4.950 1.00 25.00 O ATOM 0 H ASP A 26 28.864 35.297 -4.553 1.00 25.00 H new ATOM 0 HA ASP A 26 28.742 37.654 -2.967 1.00 25.00 H new ATOM 0 HB2 ASP A 26 29.629 37.230 -5.372 1.00 25.00 H new ATOM 0 HB3 ASP A 26 27.957 37.354 -5.880 1.00 25.00 H new ATOM 370 N MET A 27 25.892 36.576 -4.254 1.00 25.00 N ATOM 371 CA MET A 27 24.431 36.671 -4.133 1.00 25.00 C ATOM 372 C MET A 27 23.982 36.395 -2.714 1.00 25.00 C ATOM 373 O MET A 27 23.105 37.070 -2.198 1.00 25.00 O ATOM 374 CB MET A 27 23.764 35.661 -5.067 1.00 25.00 C ATOM 375 CG MET A 27 22.260 35.835 -5.158 1.00 25.00 C ATOM 376 SD MET A 27 21.472 34.613 -6.226 1.00 25.00 S ATOM 377 CE MET A 27 21.261 33.231 -5.079 1.00 25.00 C ATOM 0 H MET A 27 26.211 35.861 -4.908 1.00 25.00 H new ATOM 0 HA MET A 27 24.139 37.685 -4.406 1.00 25.00 H new ATOM 0 HB2 MET A 27 24.195 35.757 -6.063 1.00 25.00 H new ATOM 0 HB3 MET A 27 23.986 34.652 -4.719 1.00 25.00 H new ATOM 0 HG2 MET A 27 21.831 35.766 -4.158 1.00 25.00 H new ATOM 0 HG3 MET A 27 22.037 36.834 -5.533 1.00 25.00 H new ATOM 0 HE1 MET A 27 20.850 32.374 -5.613 1.00 25.00 H new ATOM 0 HE2 MET A 27 22.227 32.963 -4.651 1.00 25.00 H new ATOM 0 HE3 MET A 27 20.578 33.522 -4.281 1.00 25.00 H new ATOM 387 N LEU A 28 24.572 35.386 -2.093 1.00 25.00 N ATOM 388 CA LEU A 28 24.194 35.008 -0.740 1.00 25.00 C ATOM 389 C LEU A 28 24.528 36.091 0.265 1.00 25.00 C ATOM 390 O LEU A 28 23.717 36.418 1.118 1.00 25.00 O ATOM 391 CB LEU A 28 24.904 33.730 -0.345 1.00 25.00 C ATOM 392 CG LEU A 28 24.179 32.454 -0.772 1.00 25.00 C ATOM 393 CD1 LEU A 28 25.146 31.307 -0.691 1.00 25.00 C ATOM 394 CD2 LEU A 28 22.972 32.202 0.120 1.00 25.00 C ATOM 0 H LEU A 28 25.312 34.816 -2.502 1.00 25.00 H new ATOM 0 HA LEU A 28 23.114 34.859 -0.733 1.00 25.00 H new ATOM 0 HB2 LEU A 28 25.902 33.732 -0.783 1.00 25.00 H new ATOM 0 HB3 LEU A 28 25.031 33.718 0.737 1.00 25.00 H new ATOM 0 HG LEU A 28 23.818 32.559 -1.795 1.00 25.00 H new ATOM 0 HD11 LEU A 28 24.645 30.387 -0.993 1.00 25.00 H new ATOM 0 HD12 LEU A 28 25.990 31.495 -1.355 1.00 25.00 H new ATOM 0 HD13 LEU A 28 25.505 31.206 0.333 1.00 25.00 H new ATOM 0 HD21 LEU A 28 22.468 31.290 -0.199 1.00 25.00 H new ATOM 0 HD22 LEU A 28 23.300 32.093 1.154 1.00 25.00 H new ATOM 0 HD23 LEU A 28 22.282 33.043 0.045 1.00 25.00 H new ATOM 406 N LEU A 29 25.714 36.677 0.153 1.00 25.00 N ATOM 407 CA LEU A 29 26.123 37.746 1.075 1.00 25.00 C ATOM 408 C LEU A 29 25.212 38.949 0.926 1.00 25.00 C ATOM 409 O LEU A 29 24.883 39.611 1.904 1.00 25.00 O ATOM 410 CB LEU A 29 27.559 38.177 0.786 1.00 25.00 C ATOM 411 CG LEU A 29 28.666 37.224 1.251 1.00 25.00 C ATOM 412 CD1 LEU A 29 29.983 37.694 0.662 1.00 25.00 C ATOM 413 CD2 LEU A 29 28.771 37.153 2.773 1.00 25.00 C ATOM 0 H LEU A 29 26.407 36.438 -0.556 1.00 25.00 H new ATOM 0 HA LEU A 29 26.055 37.359 2.092 1.00 25.00 H new ATOM 0 HB2 LEU A 29 27.662 38.321 -0.290 1.00 25.00 H new ATOM 0 HB3 LEU A 29 27.725 39.147 1.255 1.00 25.00 H new ATOM 0 HG LEU A 29 28.422 36.220 0.905 1.00 25.00 H new ATOM 0 HD11 LEU A 29 30.783 37.027 0.982 1.00 25.00 H new ATOM 0 HD12 LEU A 29 29.918 37.687 -0.426 1.00 25.00 H new ATOM 0 HD13 LEU A 29 30.195 38.706 1.006 1.00 25.00 H new ATOM 0 HD21 LEU A 29 29.569 36.465 3.051 1.00 25.00 H new ATOM 0 HD22 LEU A 29 28.992 38.144 3.169 1.00 25.00 H new ATOM 0 HD23 LEU A 29 27.827 36.799 3.187 1.00 25.00 H new ATOM 425 N ALA A 30 24.789 39.208 -0.299 1.00 25.00 N ATOM 426 CA ALA A 30 23.912 40.335 -0.590 1.00 25.00 C ATOM 427 C ALA A 30 22.463 40.048 -0.170 1.00 25.00 C ATOM 428 O ALA A 30 21.645 40.967 -0.104 1.00 25.00 O ATOM 429 CB ALA A 30 23.968 40.647 -2.097 1.00 25.00 C ATOM 0 H ALA A 30 25.039 38.650 -1.115 1.00 25.00 H new ATOM 0 HA ALA A 30 24.259 41.195 -0.016 1.00 25.00 H new ATOM 0 HB1 ALA A 30 23.313 41.490 -2.319 1.00 25.00 H new ATOM 0 HB2 ALA A 30 24.991 40.898 -2.379 1.00 25.00 H new ATOM 0 HB3 ALA A 30 23.640 39.774 -2.662 1.00 25.00 H new ATOM 435 N ASN A 31 22.122 38.783 0.074 1.00 25.00 N ATOM 436 CA ASN A 31 20.744 38.407 0.373 1.00 25.00 C ATOM 437 C ASN A 31 20.550 37.997 1.831 1.00 25.00 C ATOM 438 O ASN A 31 20.868 36.868 2.219 1.00 25.00 O ATOM 439 CB ASN A 31 20.335 37.248 -0.517 1.00 25.00 C ATOM 440 CG ASN A 31 18.855 37.054 -0.556 1.00 25.00 C ATOM 441 OD1 ASN A 31 18.175 37.064 0.480 1.00 25.00 O ATOM 442 ND2 ASN A 31 18.333 36.907 -1.741 1.00 25.00 N ATOM 0 H ASN A 31 22.781 38.004 0.070 1.00 25.00 H new ATOM 0 HA ASN A 31 20.124 39.284 0.188 1.00 25.00 H new ATOM 0 HB2 ASN A 31 20.702 37.423 -1.528 1.00 25.00 H new ATOM 0 HB3 ASN A 31 20.809 36.334 -0.159 1.00 25.00 H new ATOM 0 HD21 ASN A 31 17.325 36.794 -1.844 1.00 25.00 H new ATOM 0 HD22 ASN A 31 18.933 36.905 -2.566 1.00 25.00 H new ATOM 449 N PRO A 32 19.979 38.889 2.659 1.00 25.00 N ATOM 450 CA PRO A 32 19.878 38.534 4.075 1.00 25.00 C ATOM 451 C PRO A 32 18.948 37.362 4.409 1.00 25.00 C ATOM 452 O PRO A 32 19.138 36.702 5.421 1.00 25.00 O ATOM 453 CB PRO A 32 19.375 39.834 4.714 1.00 25.00 C ATOM 454 CG PRO A 32 18.631 40.506 3.619 1.00 25.00 C ATOM 455 CD PRO A 32 19.456 40.245 2.409 1.00 25.00 C ATOM 0 HA PRO A 32 20.838 38.173 4.444 1.00 25.00 H new ATOM 0 HB2 PRO A 32 18.731 39.635 5.571 1.00 25.00 H new ATOM 0 HB3 PRO A 32 20.201 40.449 5.072 1.00 25.00 H new ATOM 0 HG2 PRO A 32 17.625 40.099 3.512 1.00 25.00 H new ATOM 0 HG3 PRO A 32 18.524 41.574 3.806 1.00 25.00 H new ATOM 0 HD2 PRO A 32 18.861 40.288 1.497 1.00 25.00 H new ATOM 0 HD3 PRO A 32 20.258 40.975 2.301 1.00 25.00 H new ATOM 463 N HIS A 33 17.956 37.087 3.574 1.00 25.00 N ATOM 464 CA HIS A 33 17.046 35.968 3.838 1.00 25.00 C ATOM 465 C HIS A 33 17.696 34.639 3.468 1.00 25.00 C ATOM 466 O HIS A 33 17.578 33.643 4.172 1.00 25.00 O ATOM 467 CB HIS A 33 15.748 36.131 3.039 1.00 25.00 C ATOM 468 CG HIS A 33 14.711 35.105 3.372 1.00 25.00 C ATOM 469 ND1 HIS A 33 13.874 35.175 4.457 1.00 25.00 N ATOM 470 CD2 HIS A 33 14.387 33.933 2.756 1.00 25.00 C ATOM 471 CE1 HIS A 33 13.099 34.090 4.453 1.00 25.00 C ATOM 472 NE2 HIS A 33 13.369 33.301 3.432 1.00 25.00 N ATOM 0 H HIS A 33 17.758 37.610 2.721 1.00 25.00 H new ATOM 0 HA HIS A 33 16.820 35.970 4.904 1.00 25.00 H new ATOM 0 HB2 HIS A 33 15.338 37.124 3.225 1.00 25.00 H new ATOM 0 HB3 HIS A 33 15.976 36.074 1.975 1.00 25.00 H new ATOM 0 HD2 HIS A 33 14.862 33.554 1.863 1.00 25.00 H new ATOM 0 HE1 HIS A 33 12.343 33.883 5.195 1.00 25.00 H new ATOM 0 HE2 HIS A 33 12.921 32.416 3.195 1.00 25.00 H new ATOM 480 N GLU A 34 18.378 34.646 2.336 1.00 25.00 N ATOM 481 CA GLU A 34 18.980 33.448 1.782 1.00 25.00 C ATOM 482 C GLU A 34 20.167 33.035 2.630 1.00 25.00 C ATOM 483 O GLU A 34 20.385 31.860 2.891 1.00 25.00 O ATOM 484 CB GLU A 34 19.423 33.738 0.352 1.00 25.00 C ATOM 485 CG GLU A 34 18.337 33.538 -0.687 1.00 25.00 C ATOM 486 CD GLU A 34 17.829 32.109 -0.729 1.00 25.00 C ATOM 487 OE1 GLU A 34 18.656 31.174 -0.793 1.00 25.00 O ATOM 488 OE2 GLU A 34 16.597 31.930 -0.684 1.00 25.00 O ATOM 0 H GLU A 34 18.530 35.484 1.775 1.00 25.00 H new ATOM 0 HA GLU A 34 18.257 32.632 1.778 1.00 25.00 H new ATOM 0 HB2 GLU A 34 19.780 34.766 0.295 1.00 25.00 H new ATOM 0 HB3 GLU A 34 20.268 33.094 0.107 1.00 25.00 H new ATOM 0 HG2 GLU A 34 17.506 34.210 -0.473 1.00 25.00 H new ATOM 0 HG3 GLU A 34 18.723 33.812 -1.669 1.00 25.00 H new ATOM 495 N LEU A 35 20.904 34.011 3.128 1.00 25.00 N ATOM 496 CA LEU A 35 22.033 33.724 4.010 1.00 25.00 C ATOM 497 C LEU A 35 21.529 33.205 5.361 1.00 25.00 C ATOM 498 O LEU A 35 22.195 32.401 6.018 1.00 25.00 O ATOM 499 CB LEU A 35 22.906 34.973 4.117 1.00 25.00 C ATOM 500 CG LEU A 35 22.663 36.107 5.121 1.00 25.00 C ATOM 501 CD1 LEU A 35 22.963 35.760 6.574 1.00 25.00 C ATOM 502 CD2 LEU A 35 23.568 37.243 4.659 1.00 25.00 C ATOM 0 H LEU A 35 20.748 35.002 2.942 1.00 25.00 H new ATOM 0 HA LEU A 35 22.657 32.929 3.601 1.00 25.00 H new ATOM 0 HB2 LEU A 35 23.921 34.620 4.297 1.00 25.00 H new ATOM 0 HB3 LEU A 35 22.899 35.434 3.129 1.00 25.00 H new ATOM 0 HG LEU A 35 21.602 36.355 5.126 1.00 25.00 H new ATOM 0 HD11 LEU A 35 22.760 36.626 7.204 1.00 25.00 H new ATOM 0 HD12 LEU A 35 22.333 34.928 6.887 1.00 25.00 H new ATOM 0 HD13 LEU A 35 24.011 35.478 6.672 1.00 25.00 H new ATOM 0 HD21 LEU A 35 23.452 38.096 5.328 1.00 25.00 H new ATOM 0 HD22 LEU A 35 24.606 36.910 4.672 1.00 25.00 H new ATOM 0 HD23 LEU A 35 23.294 37.537 3.646 1.00 25.00 H new ATOM 514 N SER A 36 20.342 33.648 5.762 1.00 25.00 N ATOM 515 CA SER A 36 19.761 33.228 7.038 1.00 25.00 C ATOM 516 C SER A 36 19.243 31.800 6.971 1.00 25.00 C ATOM 517 O SER A 36 19.470 31.019 7.878 1.00 25.00 O ATOM 518 CB SER A 36 18.630 34.163 7.473 1.00 25.00 C ATOM 519 OG SER A 36 19.148 35.452 7.759 1.00 25.00 O ATOM 0 H SER A 36 19.763 34.295 5.226 1.00 25.00 H new ATOM 0 HA SER A 36 20.560 33.276 7.778 1.00 25.00 H new ATOM 0 HB2 SER A 36 17.880 34.230 6.685 1.00 25.00 H new ATOM 0 HB3 SER A 36 18.132 33.759 8.354 1.00 25.00 H new ATOM 0 HG SER A 36 18.878 36.077 7.054 1.00 25.00 H new ATOM 525 N LEU A 37 18.579 31.429 5.888 1.00 25.00 N ATOM 526 CA LEU A 37 18.099 30.052 5.779 1.00 25.00 C ATOM 527 C LEU A 37 19.270 29.146 5.672 1.00 25.00 C ATOM 528 O LEU A 37 19.237 28.002 6.083 1.00 25.00 O ATOM 529 CB LEU A 37 17.156 29.878 4.601 1.00 25.00 C ATOM 530 CG LEU A 37 17.570 29.913 3.124 1.00 25.00 C ATOM 531 CD1 LEU A 37 18.180 28.607 2.642 1.00 25.00 C ATOM 532 CD2 LEU A 37 16.326 30.235 2.299 1.00 25.00 C ATOM 0 H LEU A 37 18.363 32.034 5.095 1.00 25.00 H new ATOM 0 HA LEU A 37 17.526 29.802 6.672 1.00 25.00 H new ATOM 0 HB2 LEU A 37 16.666 28.916 4.751 1.00 25.00 H new ATOM 0 HB3 LEU A 37 16.391 30.646 4.715 1.00 25.00 H new ATOM 0 HG LEU A 37 18.343 30.672 3.005 1.00 25.00 H new ATOM 0 HD11 LEU A 37 18.451 28.698 1.590 1.00 25.00 H new ATOM 0 HD12 LEU A 37 19.071 28.384 3.228 1.00 25.00 H new ATOM 0 HD13 LEU A 37 17.456 27.801 2.762 1.00 25.00 H new ATOM 0 HD21 LEU A 37 16.589 30.267 1.242 1.00 25.00 H new ATOM 0 HD22 LEU A 37 15.572 29.465 2.462 1.00 25.00 H new ATOM 0 HD23 LEU A 37 15.928 31.203 2.603 1.00 25.00 H new ATOM 544 N LEU A 38 20.327 29.658 5.091 1.00 25.00 N ATOM 545 CA LEU A 38 21.514 28.874 4.908 1.00 25.00 C ATOM 546 C LEU A 38 22.214 28.566 6.214 1.00 25.00 C ATOM 547 O LEU A 38 22.605 27.440 6.432 1.00 25.00 O ATOM 548 CB LEU A 38 22.416 29.619 3.964 1.00 25.00 C ATOM 549 CG LEU A 38 23.662 28.840 3.527 1.00 25.00 C ATOM 550 CD1 LEU A 38 23.275 27.616 2.713 1.00 25.00 C ATOM 551 CD2 LEU A 38 24.607 29.710 2.744 1.00 25.00 C ATOM 0 H LEU A 38 20.386 30.613 4.739 1.00 25.00 H new ATOM 0 HA LEU A 38 21.243 27.905 4.489 1.00 25.00 H new ATOM 0 HB2 LEU A 38 21.845 29.894 3.077 1.00 25.00 H new ATOM 0 HB3 LEU A 38 22.732 30.547 4.440 1.00 25.00 H new ATOM 0 HG LEU A 38 24.176 28.511 4.430 1.00 25.00 H new ATOM 0 HD11 LEU A 38 24.175 27.079 2.414 1.00 25.00 H new ATOM 0 HD12 LEU A 38 22.646 26.962 3.316 1.00 25.00 H new ATOM 0 HD13 LEU A 38 22.727 27.929 1.824 1.00 25.00 H new ATOM 0 HD21 LEU A 38 25.479 29.127 2.450 1.00 25.00 H new ATOM 0 HD22 LEU A 38 24.103 30.084 1.853 1.00 25.00 H new ATOM 0 HD23 LEU A 38 24.924 30.550 3.361 1.00 25.00 H new ATOM 563 N LYS A 39 22.339 29.536 7.107 1.00 25.00 N ATOM 564 CA LYS A 39 22.934 29.247 8.424 1.00 25.00 C ATOM 565 C LYS A 39 22.031 28.364 9.263 1.00 25.00 C ATOM 566 O LYS A 39 22.516 27.584 10.065 1.00 25.00 O ATOM 567 CB LYS A 39 23.322 30.518 9.184 1.00 25.00 C ATOM 568 CG LYS A 39 22.211 31.556 9.327 1.00 25.00 C ATOM 569 CD LYS A 39 22.448 32.510 10.486 1.00 25.00 C ATOM 570 CE LYS A 39 23.564 33.492 10.171 1.00 25.00 C ATOM 571 NZ LYS A 39 23.752 34.435 11.317 1.00 25.00 N ATOM 0 H LYS A 39 22.050 30.503 6.962 1.00 25.00 H new ATOM 0 HA LYS A 39 23.856 28.698 8.231 1.00 25.00 H new ATOM 0 HB2 LYS A 39 23.664 30.236 10.180 1.00 25.00 H new ATOM 0 HB3 LYS A 39 24.167 30.982 8.676 1.00 25.00 H new ATOM 0 HG2 LYS A 39 22.131 32.127 8.402 1.00 25.00 H new ATOM 0 HG3 LYS A 39 21.258 31.046 9.470 1.00 25.00 H new ATOM 0 HD2 LYS A 39 21.530 33.056 10.704 1.00 25.00 H new ATOM 0 HD3 LYS A 39 22.702 31.942 11.381 1.00 25.00 H new ATOM 0 HE2 LYS A 39 24.491 32.952 9.977 1.00 25.00 H new ATOM 0 HE3 LYS A 39 23.325 34.050 9.266 1.00 25.00 H new ATOM 0 HZ1 LYS A 39 24.517 35.104 11.094 1.00 25.00 H new ATOM 0 HZ2 LYS A 39 22.870 34.960 11.482 1.00 25.00 H new ATOM 0 HZ3 LYS A 39 24.000 33.897 12.172 1.00 25.00 H new ATOM 585 N GLU A 40 20.732 28.454 9.038 1.00 25.00 N ATOM 586 CA GLU A 40 19.781 27.601 9.746 1.00 25.00 C ATOM 587 C GLU A 40 19.816 26.159 9.236 1.00 25.00 C ATOM 588 O GLU A 40 19.897 25.212 10.009 1.00 25.00 O ATOM 589 CB GLU A 40 18.373 28.144 9.534 1.00 25.00 C ATOM 590 CG GLU A 40 18.028 29.328 10.406 1.00 25.00 C ATOM 591 CD GLU A 40 16.597 29.802 10.172 1.00 25.00 C ATOM 592 OE1 GLU A 40 16.328 31.010 10.310 1.00 25.00 O ATOM 593 OE2 GLU A 40 15.728 28.933 9.870 1.00 25.00 O ATOM 0 H GLU A 40 20.309 29.104 8.375 1.00 25.00 H new ATOM 0 HA GLU A 40 20.056 27.603 10.801 1.00 25.00 H new ATOM 0 HB2 GLU A 40 18.260 28.432 8.489 1.00 25.00 H new ATOM 0 HB3 GLU A 40 17.655 27.346 9.724 1.00 25.00 H new ATOM 0 HG2 GLU A 40 18.155 29.057 11.454 1.00 25.00 H new ATOM 0 HG3 GLU A 40 18.720 30.145 10.201 1.00 25.00 H new ATOM 600 N ARG A 41 19.690 25.992 7.926 1.00 25.00 N ATOM 601 CA ARG A 41 19.576 24.652 7.335 1.00 25.00 C ATOM 602 C ARG A 41 20.905 23.980 7.048 1.00 25.00 C ATOM 603 O ARG A 41 20.987 22.761 7.014 1.00 25.00 O ATOM 604 CB ARG A 41 18.765 24.731 6.045 1.00 25.00 C ATOM 605 CG ARG A 41 17.390 25.328 6.271 1.00 25.00 C ATOM 606 CD ARG A 41 16.548 25.285 5.013 1.00 25.00 C ATOM 607 NE ARG A 41 15.388 26.185 5.121 1.00 25.00 N ATOM 608 CZ ARG A 41 14.432 26.314 4.209 1.00 25.00 C ATOM 609 NH1 ARG A 41 14.423 25.609 3.110 1.00 25.00 N ATOM 610 NH2 ARG A 41 13.463 27.162 4.420 1.00 25.00 N ATOM 0 H ARG A 41 19.664 26.757 7.252 1.00 25.00 H new ATOM 0 HA ARG A 41 19.077 24.036 8.083 1.00 25.00 H new ATOM 0 HB2 ARG A 41 19.305 25.333 5.314 1.00 25.00 H new ATOM 0 HB3 ARG A 41 18.661 23.732 5.621 1.00 25.00 H new ATOM 0 HG2 ARG A 41 16.883 24.783 7.067 1.00 25.00 H new ATOM 0 HG3 ARG A 41 17.492 26.360 6.606 1.00 25.00 H new ATOM 0 HD2 ARG A 41 17.156 25.571 4.155 1.00 25.00 H new ATOM 0 HD3 ARG A 41 16.206 24.265 4.835 1.00 25.00 H new ATOM 0 HE ARG A 41 15.313 26.755 5.964 1.00 25.00 H new ATOM 0 HH11 ARG A 41 15.166 24.934 2.931 1.00 25.00 H new ATOM 0 HH12 ARG A 41 13.673 25.734 2.430 1.00 25.00 H new ATOM 0 HH21 ARG A 41 13.447 27.715 5.277 1.00 25.00 H new ATOM 0 HH22 ARG A 41 12.722 27.272 3.728 1.00 25.00 H new ATOM 624 N ASN A 42 21.928 24.771 6.790 1.00 25.00 N ATOM 625 CA ASN A 42 23.258 24.240 6.451 1.00 25.00 C ATOM 626 C ASN A 42 24.410 24.999 7.126 1.00 25.00 C ATOM 627 O ASN A 42 25.190 25.696 6.454 1.00 25.00 O ATOM 628 CB ASN A 42 23.462 24.287 4.934 1.00 25.00 C ATOM 629 CG ASN A 42 24.570 23.372 4.473 1.00 25.00 C ATOM 630 OD1 ASN A 42 25.302 22.803 5.254 1.00 25.00 O ATOM 631 ND2 ASN A 42 24.675 23.215 3.197 1.00 25.00 N ATOM 0 H ASN A 42 21.875 25.790 6.806 1.00 25.00 H new ATOM 0 HA ASN A 42 23.282 23.215 6.822 1.00 25.00 H new ATOM 0 HB2 ASN A 42 22.533 24.007 4.437 1.00 25.00 H new ATOM 0 HB3 ASN A 42 23.690 25.309 4.632 1.00 25.00 H new ATOM 0 HD21 ASN A 42 25.391 22.596 2.817 1.00 25.00 H new ATOM 0 HD22 ASN A 42 24.042 23.710 2.569 1.00 25.00 H new ATOM 638 N PRO A 43 24.558 24.859 8.457 1.00 25.00 N ATOM 639 CA PRO A 43 25.657 25.609 9.082 1.00 25.00 C ATOM 640 C PRO A 43 27.085 25.411 8.510 1.00 25.00 C ATOM 641 O PRO A 43 27.815 26.403 8.410 1.00 25.00 O ATOM 642 CB PRO A 43 25.556 25.217 10.561 1.00 25.00 C ATOM 643 CG PRO A 43 24.758 23.973 10.591 1.00 25.00 C ATOM 644 CD PRO A 43 23.793 24.091 9.458 1.00 25.00 C ATOM 0 HA PRO A 43 25.529 26.672 8.879 1.00 25.00 H new ATOM 0 HB2 PRO A 43 26.544 25.059 10.993 1.00 25.00 H new ATOM 0 HB3 PRO A 43 25.076 26.004 11.143 1.00 25.00 H new ATOM 0 HG2 PRO A 43 25.394 23.096 10.475 1.00 25.00 H new ATOM 0 HG3 PRO A 43 24.236 23.864 11.542 1.00 25.00 H new ATOM 0 HD2 PRO A 43 23.495 23.114 9.077 1.00 25.00 H new ATOM 0 HD3 PRO A 43 22.881 24.609 9.755 1.00 25.00 H new ATOM 652 N PRO A 44 27.497 24.189 8.078 1.00 25.00 N ATOM 653 CA PRO A 44 28.866 24.223 7.527 1.00 25.00 C ATOM 654 C PRO A 44 29.047 24.981 6.203 1.00 25.00 C ATOM 655 O PRO A 44 30.114 25.532 5.951 1.00 25.00 O ATOM 656 CB PRO A 44 29.197 22.741 7.346 1.00 25.00 C ATOM 657 CG PRO A 44 27.915 22.105 7.111 1.00 25.00 C ATOM 658 CD PRO A 44 26.970 22.808 8.047 1.00 25.00 C ATOM 0 HA PRO A 44 29.523 24.775 8.199 1.00 25.00 H new ATOM 0 HB2 PRO A 44 29.876 22.586 6.507 1.00 25.00 H new ATOM 0 HB3 PRO A 44 29.685 22.333 8.231 1.00 25.00 H new ATOM 0 HG2 PRO A 44 27.601 22.215 6.073 1.00 25.00 H new ATOM 0 HG3 PRO A 44 27.958 21.036 7.319 1.00 25.00 H new ATOM 0 HD2 PRO A 44 25.943 22.776 7.683 1.00 25.00 H new ATOM 0 HD3 PRO A 44 26.971 22.354 9.038 1.00 25.00 H new ATOM 666 N LEU A 45 28.031 25.043 5.349 1.00 25.00 N ATOM 667 CA LEU A 45 28.166 25.836 4.127 1.00 25.00 C ATOM 668 C LEU A 45 28.056 27.299 4.490 1.00 25.00 C ATOM 669 O LEU A 45 28.750 28.151 3.934 1.00 25.00 O ATOM 670 CB LEU A 45 27.114 25.463 3.080 1.00 25.00 C ATOM 671 CG LEU A 45 27.223 26.182 1.714 1.00 25.00 C ATOM 672 CD1 LEU A 45 28.630 26.110 1.100 1.00 25.00 C ATOM 673 CD2 LEU A 45 26.228 25.562 0.735 1.00 25.00 C ATOM 0 H LEU A 45 27.134 24.573 5.470 1.00 25.00 H new ATOM 0 HA LEU A 45 29.138 25.628 3.681 1.00 25.00 H new ATOM 0 HB2 LEU A 45 27.170 24.388 2.907 1.00 25.00 H new ATOM 0 HB3 LEU A 45 26.128 25.668 3.497 1.00 25.00 H new ATOM 0 HG LEU A 45 27.001 27.234 1.895 1.00 25.00 H new ATOM 0 HD11 LEU A 45 28.637 26.633 0.144 1.00 25.00 H new ATOM 0 HD12 LEU A 45 29.346 26.578 1.775 1.00 25.00 H new ATOM 0 HD13 LEU A 45 28.906 25.067 0.945 1.00 25.00 H new ATOM 0 HD21 LEU A 45 26.303 26.067 -0.228 1.00 25.00 H new ATOM 0 HD22 LEU A 45 26.454 24.503 0.608 1.00 25.00 H new ATOM 0 HD23 LEU A 45 25.216 25.673 1.125 1.00 25.00 H new ATOM 685 N ALA A 46 27.214 27.589 5.462 1.00 25.00 N ATOM 686 CA ALA A 46 27.043 28.958 5.914 1.00 25.00 C ATOM 687 C ALA A 46 28.312 29.542 6.529 1.00 25.00 C ATOM 688 O ALA A 46 28.678 30.647 6.191 1.00 25.00 O ATOM 689 CB ALA A 46 25.932 29.033 6.881 1.00 25.00 C ATOM 0 H ALA A 46 26.641 26.902 5.952 1.00 25.00 H new ATOM 0 HA ALA A 46 26.812 29.558 5.034 1.00 25.00 H new ATOM 0 HB1 ALA A 46 25.810 30.063 7.216 1.00 25.00 H new ATOM 0 HB2 ALA A 46 25.012 28.695 6.405 1.00 25.00 H new ATOM 0 HB3 ALA A 46 26.152 28.397 7.738 1.00 25.00 H new ATOM 695 N GLU A 47 28.978 28.830 7.427 1.00 25.00 N ATOM 696 CA GLU A 47 30.166 29.392 8.096 1.00 25.00 C ATOM 697 C GLU A 47 31.244 29.732 7.068 1.00 25.00 C ATOM 698 O GLU A 47 32.020 30.678 7.230 1.00 25.00 O ATOM 699 CB GLU A 47 30.726 28.442 9.162 1.00 25.00 C ATOM 700 CG GLU A 47 31.316 27.143 8.613 1.00 25.00 C ATOM 701 CD GLU A 47 32.069 26.336 9.664 1.00 25.00 C ATOM 702 OE1 GLU A 47 32.769 25.375 9.260 1.00 25.00 O ATOM 703 OE2 GLU A 47 32.057 26.713 10.852 1.00 25.00 O ATOM 0 H GLU A 47 28.732 27.882 7.712 1.00 25.00 H new ATOM 0 HA GLU A 47 29.855 30.306 8.603 1.00 25.00 H new ATOM 0 HB2 GLU A 47 31.498 28.966 9.727 1.00 25.00 H new ATOM 0 HB3 GLU A 47 29.929 28.195 9.864 1.00 25.00 H new ATOM 0 HG2 GLU A 47 30.513 26.532 8.201 1.00 25.00 H new ATOM 0 HG3 GLU A 47 31.992 27.377 7.791 1.00 25.00 H new ATOM 710 N ALA A 48 31.266 28.965 5.994 1.00 25.00 N ATOM 711 CA ALA A 48 32.200 29.173 4.920 1.00 25.00 C ATOM 712 C ALA A 48 31.915 30.495 4.214 1.00 25.00 C ATOM 713 O ALA A 48 32.835 31.238 3.883 1.00 25.00 O ATOM 714 CB ALA A 48 32.111 27.999 3.953 1.00 25.00 C ATOM 0 H ALA A 48 30.632 28.180 5.848 1.00 25.00 H new ATOM 0 HA ALA A 48 33.213 29.228 5.317 1.00 25.00 H new ATOM 0 HB1 ALA A 48 32.816 28.147 3.135 1.00 25.00 H new ATOM 0 HB2 ALA A 48 32.354 27.076 4.478 1.00 25.00 H new ATOM 0 HB3 ALA A 48 31.099 27.933 3.553 1.00 25.00 H new ATOM 720 N LEU A 49 30.635 30.804 4.056 1.00 25.00 N ATOM 721 CA LEU A 49 30.198 32.065 3.473 1.00 25.00 C ATOM 722 C LEU A 49 30.560 33.230 4.392 1.00 25.00 C ATOM 723 O LEU A 49 31.056 34.259 3.934 1.00 25.00 O ATOM 724 CB LEU A 49 28.670 32.050 3.288 1.00 25.00 C ATOM 725 CG LEU A 49 28.058 33.299 2.643 1.00 25.00 C ATOM 726 CD1 LEU A 49 28.214 33.229 1.147 1.00 25.00 C ATOM 727 CD2 LEU A 49 26.588 33.422 3.031 1.00 25.00 C ATOM 0 H LEU A 49 29.870 30.187 4.329 1.00 25.00 H new ATOM 0 HA LEU A 49 30.695 32.188 2.511 1.00 25.00 H new ATOM 0 HB2 LEU A 49 28.406 31.185 2.679 1.00 25.00 H new ATOM 0 HB3 LEU A 49 28.207 31.906 4.264 1.00 25.00 H new ATOM 0 HG LEU A 49 28.581 34.184 3.004 1.00 25.00 H new ATOM 0 HD11 LEU A 49 27.777 34.119 0.694 1.00 25.00 H new ATOM 0 HD12 LEU A 49 29.273 33.175 0.894 1.00 25.00 H new ATOM 0 HD13 LEU A 49 27.705 32.342 0.769 1.00 25.00 H new ATOM 0 HD21 LEU A 49 26.163 34.312 2.568 1.00 25.00 H new ATOM 0 HD22 LEU A 49 26.046 32.541 2.688 1.00 25.00 H new ATOM 0 HD23 LEU A 49 26.503 33.501 4.115 1.00 25.00 H new ATOM 739 N LEU A 50 30.302 33.065 5.688 1.00 25.00 N ATOM 740 CA LEU A 50 30.505 34.139 6.669 1.00 25.00 C ATOM 741 C LEU A 50 31.963 34.535 6.794 1.00 25.00 C ATOM 742 O LEU A 50 32.285 35.665 7.126 1.00 25.00 O ATOM 743 CB LEU A 50 30.026 33.708 8.059 1.00 25.00 C ATOM 744 CG LEU A 50 28.609 33.132 8.241 1.00 25.00 C ATOM 745 CD1 LEU A 50 28.253 33.104 9.718 1.00 25.00 C ATOM 746 CD2 LEU A 50 27.543 33.870 7.433 1.00 25.00 C ATOM 0 H LEU A 50 29.950 32.195 6.088 1.00 25.00 H new ATOM 0 HA LEU A 50 29.927 34.989 6.305 1.00 25.00 H new ATOM 0 HB2 LEU A 50 30.729 32.961 8.427 1.00 25.00 H new ATOM 0 HB3 LEU A 50 30.110 34.575 8.714 1.00 25.00 H new ATOM 0 HG LEU A 50 28.624 32.116 7.847 1.00 25.00 H new ATOM 0 HD11 LEU A 50 27.250 32.696 9.843 1.00 25.00 H new ATOM 0 HD12 LEU A 50 28.968 32.479 10.253 1.00 25.00 H new ATOM 0 HD13 LEU A 50 28.285 34.117 10.119 1.00 25.00 H new ATOM 0 HD21 LEU A 50 26.570 33.411 7.609 1.00 25.00 H new ATOM 0 HD22 LEU A 50 27.512 34.915 7.741 1.00 25.00 H new ATOM 0 HD23 LEU A 50 27.785 33.811 6.372 1.00 25.00 H new ATOM 758 N SER A 51 32.839 33.577 6.532 1.00 25.00 N ATOM 759 CA SER A 51 34.268 33.794 6.616 1.00 25.00 C ATOM 760 C SER A 51 34.793 34.621 5.450 1.00 25.00 C ATOM 761 O SER A 51 35.909 35.124 5.497 1.00 25.00 O ATOM 762 CB SER A 51 34.967 32.457 6.587 1.00 25.00 C ATOM 763 OG SER A 51 34.556 31.619 7.663 1.00 25.00 O ATOM 0 H SER A 51 32.576 32.631 6.256 1.00 25.00 H new ATOM 0 HA SER A 51 34.465 34.335 7.542 1.00 25.00 H new ATOM 0 HB2 SER A 51 34.759 31.959 5.640 1.00 25.00 H new ATOM 0 HB3 SER A 51 36.045 32.610 6.637 1.00 25.00 H new ATOM 0 HG SER A 51 33.720 31.167 7.424 1.00 25.00 H new ATOM 769 N GLY A 52 34.017 34.713 4.377 1.00 25.00 N ATOM 770 CA GLY A 52 34.426 35.481 3.210 1.00 25.00 C ATOM 771 C GLY A 52 35.292 34.700 2.238 1.00 25.00 C ATOM 772 O GLY A 52 35.252 34.944 1.028 1.00 25.00 O ATOM 0 H GLY A 52 33.104 34.266 4.292 1.00 25.00 H new ATOM 0 HA2 GLY A 52 33.536 35.833 2.688 1.00 25.00 H new ATOM 0 HA3 GLY A 52 34.972 36.364 3.541 1.00 25.00 H new ATOM 776 N ASP A 53 36.065 33.751 2.762 1.00 25.00 N ATOM 777 CA ASP A 53 36.942 32.907 1.944 1.00 25.00 C ATOM 778 C ASP A 53 36.180 32.134 0.881 1.00 25.00 C ATOM 779 O ASP A 53 35.453 31.185 1.173 1.00 25.00 O ATOM 780 CB ASP A 53 37.717 31.938 2.817 1.00 25.00 C ATOM 781 CG ASP A 53 39.146 32.367 3.027 1.00 25.00 C ATOM 782 OD1 ASP A 53 39.640 32.236 4.164 1.00 25.00 O ATOM 783 OD2 ASP A 53 39.773 32.808 2.043 1.00 25.00 O ATOM 0 H ASP A 53 36.103 33.544 3.760 1.00 25.00 H new ATOM 0 HA ASP A 53 37.633 33.579 1.435 1.00 25.00 H new ATOM 0 HB2 ASP A 53 37.222 31.849 3.784 1.00 25.00 H new ATOM 0 HB3 ASP A 53 37.701 30.949 2.359 1.00 25.00 H new ATOM 788 N LEU A 54 36.387 32.512 -0.370 1.00 25.00 N ATOM 789 CA LEU A 54 35.769 31.806 -1.480 1.00 25.00 C ATOM 790 C LEU A 54 36.302 30.391 -1.480 1.00 25.00 C ATOM 791 O LEU A 54 35.591 29.455 -1.796 1.00 25.00 O ATOM 792 CB LEU A 54 36.086 32.483 -2.815 1.00 25.00 C ATOM 793 CG LEU A 54 35.393 31.944 -4.084 1.00 25.00 C ATOM 794 CD1 LEU A 54 36.182 30.824 -4.769 1.00 25.00 C ATOM 795 CD2 LEU A 54 33.944 31.506 -3.833 1.00 25.00 C ATOM 0 H LEU A 54 36.975 33.300 -0.641 1.00 25.00 H new ATOM 0 HA LEU A 54 34.686 31.814 -1.360 1.00 25.00 H new ATOM 0 HB2 LEU A 54 35.835 33.540 -2.721 1.00 25.00 H new ATOM 0 HB3 LEU A 54 37.163 32.423 -2.972 1.00 25.00 H new ATOM 0 HG LEU A 54 35.368 32.792 -4.768 1.00 25.00 H new ATOM 0 HD11 LEU A 54 35.642 30.488 -5.654 1.00 25.00 H new ATOM 0 HD12 LEU A 54 37.163 31.197 -5.062 1.00 25.00 H new ATOM 0 HD13 LEU A 54 36.302 29.989 -4.079 1.00 25.00 H new ATOM 0 HD21 LEU A 54 33.510 31.136 -4.762 1.00 25.00 H new ATOM 0 HD22 LEU A 54 33.928 30.714 -3.084 1.00 25.00 H new ATOM 0 HD23 LEU A 54 33.364 32.356 -3.474 1.00 25.00 H new ATOM 807 N GLU A 55 37.555 30.254 -1.084 1.00 25.00 N ATOM 808 CA GLU A 55 38.219 28.956 -1.018 1.00 25.00 C ATOM 809 C GLU A 55 37.381 27.960 -0.243 1.00 25.00 C ATOM 810 O GLU A 55 37.030 26.890 -0.740 1.00 25.00 O ATOM 811 CB GLU A 55 39.565 29.093 -0.309 1.00 25.00 C ATOM 812 CG GLU A 55 40.446 30.153 -0.914 1.00 25.00 C ATOM 813 CD GLU A 55 41.891 30.031 -0.462 1.00 25.00 C ATOM 814 OE1 GLU A 55 42.160 29.267 0.494 1.00 25.00 O ATOM 815 OE2 GLU A 55 42.764 30.638 -1.111 1.00 25.00 O ATOM 0 H GLU A 55 38.144 31.036 -0.798 1.00 25.00 H new ATOM 0 HA GLU A 55 38.358 28.603 -2.040 1.00 25.00 H new ATOM 0 HB2 GLU A 55 39.393 29.328 0.741 1.00 25.00 H new ATOM 0 HB3 GLU A 55 40.085 28.135 -0.341 1.00 25.00 H new ATOM 0 HG2 GLU A 55 40.401 30.083 -2.001 1.00 25.00 H new ATOM 0 HG3 GLU A 55 40.065 31.137 -0.642 1.00 25.00 H new ATOM 822 N LYS A 56 37.053 28.319 0.986 1.00 25.00 N ATOM 823 CA LYS A 56 36.286 27.422 1.841 1.00 25.00 C ATOM 824 C LYS A 56 34.837 27.347 1.405 1.00 25.00 C ATOM 825 O LYS A 56 34.248 26.282 1.466 1.00 25.00 O ATOM 826 CB LYS A 56 36.441 27.789 3.329 1.00 25.00 C ATOM 827 CG LYS A 56 35.828 29.059 3.782 1.00 25.00 C ATOM 828 CD LYS A 56 36.399 29.466 5.148 1.00 25.00 C ATOM 829 CE LYS A 56 35.839 28.627 6.309 1.00 25.00 C ATOM 830 NZ LYS A 56 36.245 29.190 7.645 1.00 25.00 N ATOM 0 H LYS A 56 37.300 29.212 1.412 1.00 25.00 H new ATOM 0 HA LYS A 56 36.697 26.419 1.727 1.00 25.00 H new ATOM 0 HB2 LYS A 56 36.017 26.979 3.922 1.00 25.00 H new ATOM 0 HB3 LYS A 56 37.506 27.828 3.558 1.00 25.00 H new ATOM 0 HG2 LYS A 56 36.019 29.845 3.051 1.00 25.00 H new ATOM 0 HG3 LYS A 56 34.746 28.945 3.851 1.00 25.00 H new ATOM 0 HD2 LYS A 56 37.484 29.367 5.126 1.00 25.00 H new ATOM 0 HD3 LYS A 56 36.179 30.518 5.328 1.00 25.00 H new ATOM 0 HE2 LYS A 56 34.752 28.593 6.243 1.00 25.00 H new ATOM 0 HE3 LYS A 56 36.196 27.601 6.222 1.00 25.00 H new ATOM 0 HZ1 LYS A 56 36.029 28.500 8.393 1.00 25.00 H new ATOM 0 HZ2 LYS A 56 37.266 29.389 7.642 1.00 25.00 H new ATOM 0 HZ3 LYS A 56 35.721 30.070 7.824 1.00 25.00 H new ATOM 844 N PHE A 57 34.285 28.435 0.898 1.00 25.00 N ATOM 845 CA PHE A 57 32.910 28.404 0.392 1.00 25.00 C ATOM 846 C PHE A 57 32.784 27.389 -0.747 1.00 25.00 C ATOM 847 O PHE A 57 31.949 26.501 -0.690 1.00 25.00 O ATOM 848 CB PHE A 57 32.465 29.788 -0.084 1.00 25.00 C ATOM 849 CG PHE A 57 31.058 29.810 -0.603 1.00 25.00 C ATOM 850 CD1 PHE A 57 30.811 29.816 -1.991 1.00 25.00 C ATOM 851 CD2 PHE A 57 29.969 29.812 0.285 1.00 25.00 C ATOM 852 CE1 PHE A 57 29.490 29.818 -2.489 1.00 25.00 C ATOM 853 CE2 PHE A 57 28.639 29.815 -0.201 1.00 25.00 C ATOM 854 CZ PHE A 57 28.403 29.822 -1.596 1.00 25.00 C ATOM 0 H PHE A 57 34.751 29.339 0.823 1.00 25.00 H new ATOM 0 HA PHE A 57 32.258 28.101 1.211 1.00 25.00 H new ATOM 0 HB2 PHE A 57 32.552 30.494 0.742 1.00 25.00 H new ATOM 0 HB3 PHE A 57 33.140 30.130 -0.868 1.00 25.00 H new ATOM 0 HD1 PHE A 57 31.642 29.819 -2.681 1.00 25.00 H new ATOM 0 HD2 PHE A 57 30.148 29.811 1.350 1.00 25.00 H new ATOM 0 HE1 PHE A 57 29.314 29.816 -3.555 1.00 25.00 H new ATOM 0 HE2 PHE A 57 27.809 29.812 0.490 1.00 25.00 H new ATOM 0 HZ PHE A 57 27.391 29.830 -1.974 1.00 25.00 H new ATOM 864 N SER A 58 33.661 27.471 -1.736 1.00 25.00 N ATOM 865 CA SER A 58 33.686 26.520 -2.853 1.00 25.00 C ATOM 866 C SER A 58 33.953 25.090 -2.389 1.00 25.00 C ATOM 867 O SER A 58 33.340 24.136 -2.875 1.00 25.00 O ATOM 868 CB SER A 58 34.783 26.926 -3.839 1.00 25.00 C ATOM 869 OG SER A 58 34.805 26.046 -4.942 1.00 25.00 O ATOM 0 H SER A 58 34.377 28.195 -1.793 1.00 25.00 H new ATOM 0 HA SER A 58 32.704 26.546 -3.325 1.00 25.00 H new ATOM 0 HB2 SER A 58 34.612 27.946 -4.183 1.00 25.00 H new ATOM 0 HB3 SER A 58 35.752 26.917 -3.339 1.00 25.00 H new ATOM 0 HG SER A 58 35.511 26.319 -5.565 1.00 25.00 H new ATOM 875 N ARG A 59 34.858 24.932 -1.439 1.00 25.00 N ATOM 876 CA ARG A 59 35.201 23.611 -0.930 1.00 25.00 C ATOM 877 C ARG A 59 33.993 22.974 -0.271 1.00 25.00 C ATOM 878 O ARG A 59 33.696 21.817 -0.506 1.00 25.00 O ATOM 879 CB ARG A 59 36.355 23.724 0.065 1.00 25.00 C ATOM 880 CG ARG A 59 36.800 22.377 0.656 1.00 25.00 C ATOM 881 CD ARG A 59 36.404 22.252 2.124 1.00 25.00 C ATOM 882 NE ARG A 59 37.195 23.164 2.975 1.00 25.00 N ATOM 883 CZ ARG A 59 36.987 23.383 4.272 1.00 25.00 C ATOM 884 NH1 ARG A 59 36.024 22.792 4.935 1.00 25.00 N ATOM 885 NH2 ARG A 59 37.765 24.212 4.904 1.00 25.00 N ATOM 0 H ARG A 59 35.369 25.700 -1.003 1.00 25.00 H new ATOM 0 HA ARG A 59 35.513 22.978 -1.761 1.00 25.00 H new ATOM 0 HB2 ARG A 59 37.206 24.191 -0.431 1.00 25.00 H new ATOM 0 HB3 ARG A 59 36.058 24.386 0.878 1.00 25.00 H new ATOM 0 HG2 ARG A 59 36.352 21.563 0.087 1.00 25.00 H new ATOM 0 HG3 ARG A 59 37.881 22.276 0.560 1.00 25.00 H new ATOM 0 HD2 ARG A 59 35.343 22.475 2.237 1.00 25.00 H new ATOM 0 HD3 ARG A 59 36.550 21.224 2.456 1.00 25.00 H new ATOM 0 HE ARG A 59 37.964 23.668 2.533 1.00 25.00 H new ATOM 0 HH11 ARG A 59 35.403 22.139 4.458 1.00 25.00 H new ATOM 0 HH12 ARG A 59 35.896 22.985 5.928 1.00 25.00 H new ATOM 0 HH21 ARG A 59 38.520 24.683 4.406 1.00 25.00 H new ATOM 0 HH22 ARG A 59 37.620 24.391 5.898 1.00 25.00 H new ATOM 899 N VAL A 60 33.271 23.718 0.539 1.00 25.00 N ATOM 900 CA VAL A 60 32.097 23.142 1.192 1.00 25.00 C ATOM 901 C VAL A 60 30.977 22.983 0.163 1.00 25.00 C ATOM 902 O VAL A 60 30.219 22.031 0.226 1.00 25.00 O ATOM 903 CB VAL A 60 31.631 23.959 2.425 1.00 25.00 C ATOM 904 CG1 VAL A 60 30.458 23.259 3.114 1.00 25.00 C ATOM 905 CG2 VAL A 60 32.779 24.098 3.436 1.00 25.00 C ATOM 0 H VAL A 60 33.461 24.695 0.762 1.00 25.00 H new ATOM 0 HA VAL A 60 32.373 22.162 1.581 1.00 25.00 H new ATOM 0 HB VAL A 60 31.321 24.945 2.079 1.00 25.00 H new ATOM 0 HG11 VAL A 60 30.142 23.844 3.978 1.00 25.00 H new ATOM 0 HG12 VAL A 60 29.627 23.167 2.414 1.00 25.00 H new ATOM 0 HG13 VAL A 60 30.768 22.267 3.442 1.00 25.00 H new ATOM 0 HG21 VAL A 60 32.438 24.674 4.297 1.00 25.00 H new ATOM 0 HG22 VAL A 60 33.097 23.108 3.764 1.00 25.00 H new ATOM 0 HG23 VAL A 60 33.618 24.611 2.966 1.00 25.00 H new ATOM 915 N LEU A 61 30.908 23.878 -0.812 1.00 25.00 N ATOM 916 CA LEU A 61 29.896 23.782 -1.865 1.00 25.00 C ATOM 917 C LEU A 61 30.000 22.447 -2.597 1.00 25.00 C ATOM 918 O LEU A 61 28.987 21.790 -2.831 1.00 25.00 O ATOM 919 CB LEU A 61 30.051 24.932 -2.872 1.00 25.00 C ATOM 920 CG LEU A 61 28.835 25.176 -3.782 1.00 25.00 C ATOM 921 CD1 LEU A 61 28.038 26.328 -3.218 1.00 25.00 C ATOM 922 CD2 LEU A 61 29.222 25.522 -5.211 1.00 25.00 C ATOM 0 H LEU A 61 31.536 24.677 -0.900 1.00 25.00 H new ATOM 0 HA LEU A 61 28.916 23.851 -1.392 1.00 25.00 H new ATOM 0 HB2 LEU A 61 30.262 25.849 -2.322 1.00 25.00 H new ATOM 0 HB3 LEU A 61 30.919 24.729 -3.499 1.00 25.00 H new ATOM 0 HG LEU A 61 28.260 24.251 -3.810 1.00 25.00 H new ATOM 0 HD11 LEU A 61 27.171 26.515 -3.851 1.00 25.00 H new ATOM 0 HD12 LEU A 61 27.705 26.081 -2.210 1.00 25.00 H new ATOM 0 HD13 LEU A 61 28.663 27.221 -3.185 1.00 25.00 H new ATOM 0 HD21 LEU A 61 28.321 25.683 -5.803 1.00 25.00 H new ATOM 0 HD22 LEU A 61 29.825 26.430 -5.215 1.00 25.00 H new ATOM 0 HD23 LEU A 61 29.797 24.702 -5.641 1.00 25.00 H new ATOM 934 N VAL A 62 31.210 22.033 -2.947 1.00 25.00 N ATOM 935 CA VAL A 62 31.381 20.753 -3.636 1.00 25.00 C ATOM 936 C VAL A 62 31.178 19.576 -2.672 1.00 25.00 C ATOM 937 O VAL A 62 30.590 18.576 -3.060 1.00 25.00 O ATOM 938 CB VAL A 62 32.742 20.668 -4.407 1.00 25.00 C ATOM 939 CG1 VAL A 62 33.957 20.612 -3.481 1.00 25.00 C ATOM 940 CG2 VAL A 62 32.744 19.465 -5.339 1.00 25.00 C ATOM 0 H VAL A 62 32.073 22.548 -2.772 1.00 25.00 H new ATOM 0 HA VAL A 62 30.604 20.686 -4.397 1.00 25.00 H new ATOM 0 HB VAL A 62 32.829 21.588 -4.985 1.00 25.00 H new ATOM 0 HG11 VAL A 62 34.867 20.554 -4.078 1.00 25.00 H new ATOM 0 HG12 VAL A 62 33.985 21.509 -2.863 1.00 25.00 H new ATOM 0 HG13 VAL A 62 33.886 19.733 -2.841 1.00 25.00 H new ATOM 0 HG21 VAL A 62 33.695 19.417 -5.869 1.00 25.00 H new ATOM 0 HG22 VAL A 62 32.606 18.554 -4.757 1.00 25.00 H new ATOM 0 HG23 VAL A 62 31.932 19.561 -6.059 1.00 25.00 H new ATOM 950 N GLU A 63 31.588 19.705 -1.419 1.00 25.00 N ATOM 951 CA GLU A 63 31.367 18.632 -0.435 1.00 25.00 C ATOM 952 C GLU A 63 29.873 18.382 -0.224 1.00 25.00 C ATOM 953 O GLU A 63 29.426 17.241 -0.150 1.00 25.00 O ATOM 954 CB GLU A 63 31.997 18.988 0.919 1.00 25.00 C ATOM 955 CG GLU A 63 33.514 18.831 0.946 1.00 25.00 C ATOM 956 CD GLU A 63 33.948 17.391 0.744 1.00 25.00 C ATOM 957 OE1 GLU A 63 33.505 16.506 1.507 1.00 25.00 O ATOM 958 OE2 GLU A 63 34.733 17.150 -0.194 1.00 25.00 O ATOM 0 H GLU A 63 32.070 20.526 -1.054 1.00 25.00 H new ATOM 0 HA GLU A 63 31.837 17.732 -0.832 1.00 25.00 H new ATOM 0 HB2 GLU A 63 31.742 20.018 1.170 1.00 25.00 H new ATOM 0 HB3 GLU A 63 31.561 18.355 1.691 1.00 25.00 H new ATOM 0 HG2 GLU A 63 33.955 19.454 0.168 1.00 25.00 H new ATOM 0 HG3 GLU A 63 33.898 19.193 1.900 1.00 25.00 H new ATOM 965 N GLN A 64 29.088 19.447 -0.165 1.00 25.00 N ATOM 966 CA GLN A 64 27.640 19.311 0.006 1.00 25.00 C ATOM 967 C GLN A 64 27.028 18.669 -1.245 1.00 25.00 C ATOM 968 O GLN A 64 26.121 17.848 -1.150 1.00 25.00 O ATOM 969 CB GLN A 64 27.012 20.680 0.266 1.00 25.00 C ATOM 970 CG GLN A 64 27.377 21.271 1.643 1.00 25.00 C ATOM 971 CD GLN A 64 26.742 20.520 2.787 1.00 25.00 C ATOM 972 OE1 GLN A 64 25.549 20.273 2.784 1.00 25.00 O ATOM 973 NE2 GLN A 64 27.530 20.184 3.785 1.00 25.00 N ATOM 0 H GLN A 64 29.420 20.409 -0.232 1.00 25.00 H new ATOM 0 HA GLN A 64 27.439 18.670 0.864 1.00 25.00 H new ATOM 0 HB2 GLN A 64 27.331 21.372 -0.514 1.00 25.00 H new ATOM 0 HB3 GLN A 64 25.928 20.594 0.192 1.00 25.00 H new ATOM 0 HG2 GLN A 64 28.460 21.259 1.763 1.00 25.00 H new ATOM 0 HG3 GLN A 64 27.064 22.314 1.680 1.00 25.00 H new ATOM 0 HE21 GLN A 64 28.524 20.410 3.748 1.00 25.00 H new ATOM 0 HE22 GLN A 64 27.147 19.698 4.596 1.00 25.00 H new ATOM 982 N GLN A 65 27.555 19.000 -2.415 1.00 25.00 N ATOM 983 CA GLN A 65 27.082 18.382 -3.656 1.00 25.00 C ATOM 984 C GLN A 65 27.491 16.906 -3.712 1.00 25.00 C ATOM 985 O GLN A 65 26.737 16.082 -4.204 1.00 25.00 O ATOM 986 CB GLN A 65 27.617 19.129 -4.876 1.00 25.00 C ATOM 987 CG GLN A 65 26.946 20.492 -5.079 1.00 25.00 C ATOM 988 CD GLN A 65 27.482 21.233 -6.283 1.00 25.00 C ATOM 989 OE1 GLN A 65 26.988 21.082 -7.385 1.00 25.00 O ATOM 990 NE2 GLN A 65 28.481 22.046 -6.071 1.00 25.00 N ATOM 0 H GLN A 65 28.302 19.684 -2.536 1.00 25.00 H new ATOM 0 HA GLN A 65 25.994 18.442 -3.670 1.00 25.00 H new ATOM 0 HB2 GLN A 65 28.692 19.271 -4.767 1.00 25.00 H new ATOM 0 HB3 GLN A 65 27.465 18.518 -5.766 1.00 25.00 H new ATOM 0 HG2 GLN A 65 25.871 20.350 -5.194 1.00 25.00 H new ATOM 0 HG3 GLN A 65 27.093 21.101 -4.187 1.00 25.00 H new ATOM 0 HE21 GLN A 65 28.868 22.145 -5.132 1.00 25.00 H new ATOM 0 HE22 GLN A 65 28.875 22.582 -6.844 1.00 25.00 H new ATOM 999 N GLN A 66 28.642 16.553 -3.158 1.00 25.00 N ATOM 1000 CA GLN A 66 29.047 15.152 -3.082 1.00 25.00 C ATOM 1001 C GLN A 66 28.128 14.367 -2.171 1.00 25.00 C ATOM 1002 O GLN A 66 27.725 13.266 -2.507 1.00 25.00 O ATOM 1003 CB GLN A 66 30.477 14.997 -2.566 1.00 25.00 C ATOM 1004 CG GLN A 66 31.543 15.374 -3.566 1.00 25.00 C ATOM 1005 CD GLN A 66 32.915 15.063 -3.034 1.00 25.00 C ATOM 1006 OE1 GLN A 66 33.287 13.912 -2.890 1.00 25.00 O ATOM 1007 NE2 GLN A 66 33.652 16.081 -2.700 1.00 25.00 N ATOM 0 H GLN A 66 29.310 17.211 -2.756 1.00 25.00 H new ATOM 0 HA GLN A 66 28.988 14.763 -4.099 1.00 25.00 H new ATOM 0 HB2 GLN A 66 30.598 15.613 -1.675 1.00 25.00 H new ATOM 0 HB3 GLN A 66 30.631 13.962 -2.262 1.00 25.00 H new ATOM 0 HG2 GLN A 66 31.379 14.834 -4.498 1.00 25.00 H new ATOM 0 HG3 GLN A 66 31.471 16.437 -3.797 1.00 25.00 H new ATOM 0 HE21 GLN A 66 33.303 17.030 -2.837 1.00 25.00 H new ATOM 0 HE22 GLN A 66 34.579 15.931 -2.301 1.00 25.00 H new ATOM 1016 N ASP A 67 27.770 14.909 -1.020 1.00 25.00 N ATOM 1017 CA ASP A 67 26.885 14.177 -0.112 1.00 25.00 C ATOM 1018 C ASP A 67 25.508 14.020 -0.729 1.00 25.00 C ATOM 1019 O ASP A 67 24.876 12.966 -0.632 1.00 25.00 O ATOM 1020 CB ASP A 67 26.736 14.855 1.235 1.00 25.00 C ATOM 1021 CG ASP A 67 26.008 13.973 2.223 1.00 25.00 C ATOM 1022 OD1 ASP A 67 26.629 12.994 2.697 1.00 25.00 O ATOM 1023 OD2 ASP A 67 24.790 14.162 2.422 1.00 25.00 O ATOM 0 H ASP A 67 28.065 15.828 -0.692 1.00 25.00 H new ATOM 0 HA ASP A 67 27.348 13.203 0.047 1.00 25.00 H new ATOM 0 HB2 ASP A 67 27.721 15.106 1.628 1.00 25.00 H new ATOM 0 HB3 ASP A 67 26.193 15.792 1.113 1.00 25.00 H new ATOM 1028 N ARG A 68 25.074 15.054 -1.431 1.00 25.00 N ATOM 1029 CA ARG A 68 23.829 14.993 -2.187 1.00 25.00 C ATOM 1030 C ARG A 68 23.927 13.899 -3.243 1.00 25.00 C ATOM 1031 O ARG A 68 23.024 13.108 -3.383 1.00 25.00 O ATOM 1032 CB ARG A 68 23.550 16.325 -2.870 1.00 25.00 C ATOM 1033 CG ARG A 68 22.685 17.269 -2.069 1.00 25.00 C ATOM 1034 CD ARG A 68 22.508 18.547 -2.852 1.00 25.00 C ATOM 1035 NE ARG A 68 21.186 19.177 -2.660 1.00 25.00 N ATOM 1036 CZ ARG A 68 20.097 18.909 -3.376 1.00 25.00 C ATOM 1037 NH1 ARG A 68 20.068 17.990 -4.311 1.00 25.00 N ATOM 1038 NH2 ARG A 68 19.007 19.594 -3.154 1.00 25.00 N ATOM 0 H ARG A 68 25.564 15.947 -1.495 1.00 25.00 H new ATOM 0 HA ARG A 68 23.015 14.773 -1.497 1.00 25.00 H new ATOM 0 HB2 ARG A 68 24.500 16.815 -3.084 1.00 25.00 H new ATOM 0 HB3 ARG A 68 23.067 16.134 -3.828 1.00 25.00 H new ATOM 0 HG2 ARG A 68 21.716 16.813 -1.866 1.00 25.00 H new ATOM 0 HG3 ARG A 68 23.147 17.478 -1.104 1.00 25.00 H new ATOM 0 HD2 ARG A 68 23.284 19.254 -2.559 1.00 25.00 H new ATOM 0 HD3 ARG A 68 22.651 18.337 -3.912 1.00 25.00 H new ATOM 0 HE ARG A 68 21.101 19.873 -1.919 1.00 25.00 H new ATOM 0 HH11 ARG A 68 20.905 17.444 -4.516 1.00 25.00 H new ATOM 0 HH12 ARG A 68 19.208 17.821 -4.833 1.00 25.00 H new ATOM 0 HH21 ARG A 68 18.999 20.322 -2.440 1.00 25.00 H new ATOM 0 HH22 ARG A 68 18.164 19.400 -3.695 1.00 25.00 H new ATOM 1052 N ALA A 69 25.046 13.823 -3.939 1.00 25.00 N ATOM 1053 CA ALA A 69 25.243 12.808 -4.971 1.00 25.00 C ATOM 1054 C ALA A 69 25.168 11.386 -4.412 1.00 25.00 C ATOM 1055 O ALA A 69 24.694 10.484 -5.089 1.00 25.00 O ATOM 1056 CB ALA A 69 26.582 13.032 -5.674 1.00 25.00 C ATOM 0 H ALA A 69 25.839 14.452 -3.812 1.00 25.00 H new ATOM 0 HA ALA A 69 24.430 12.912 -5.690 1.00 25.00 H new ATOM 0 HB1 ALA A 69 26.721 12.271 -6.442 1.00 25.00 H new ATOM 0 HB2 ALA A 69 26.590 14.019 -6.136 1.00 25.00 H new ATOM 0 HB3 ALA A 69 27.391 12.965 -4.946 1.00 25.00 H new ATOM 1062 N ARG A 70 25.606 11.184 -3.177 1.00 25.00 N ATOM 1063 CA ARG A 70 25.544 9.848 -2.558 1.00 25.00 C ATOM 1064 C ARG A 70 24.102 9.424 -2.388 1.00 25.00 C ATOM 1065 O ARG A 70 23.727 8.337 -2.798 1.00 25.00 O ATOM 1066 CB ARG A 70 26.229 9.845 -1.191 1.00 25.00 C ATOM 1067 CG ARG A 70 27.708 10.143 -1.253 1.00 25.00 C ATOM 1068 CD ARG A 70 28.269 10.449 0.138 1.00 25.00 C ATOM 1069 NE ARG A 70 29.643 10.980 0.069 1.00 25.00 N ATOM 1070 CZ ARG A 70 30.316 11.508 1.086 1.00 25.00 C ATOM 1071 NH1 ARG A 70 29.803 11.614 2.284 1.00 25.00 N ATOM 1072 NH2 ARG A 70 31.528 11.947 0.884 1.00 25.00 N ATOM 0 H ARG A 70 26.005 11.911 -2.583 1.00 25.00 H new ATOM 0 HA ARG A 70 26.063 9.149 -3.214 1.00 25.00 H new ATOM 0 HB2 ARG A 70 25.745 10.582 -0.550 1.00 25.00 H new ATOM 0 HB3 ARG A 70 26.083 8.871 -0.723 1.00 25.00 H new ATOM 0 HG2 ARG A 70 28.236 9.291 -1.682 1.00 25.00 H new ATOM 0 HG3 ARG A 70 27.883 10.992 -1.914 1.00 25.00 H new ATOM 0 HD2 ARG A 70 27.625 11.171 0.639 1.00 25.00 H new ATOM 0 HD3 ARG A 70 28.260 9.541 0.742 1.00 25.00 H new ATOM 0 HE ARG A 70 30.116 10.939 -0.834 1.00 25.00 H new ATOM 0 HH11 ARG A 70 28.854 11.285 2.463 1.00 25.00 H new ATOM 0 HH12 ARG A 70 30.352 12.025 3.039 1.00 25.00 H new ATOM 0 HH21 ARG A 70 31.946 11.882 -0.044 1.00 25.00 H new ATOM 0 HH22 ARG A 70 32.058 12.355 1.654 1.00 25.00 H new ATOM 1086 N ARG A 71 23.283 10.288 -1.808 1.00 25.00 N ATOM 1087 CA ARG A 71 21.878 9.950 -1.589 1.00 25.00 C ATOM 1088 C ARG A 71 21.089 9.989 -2.884 1.00 25.00 C ATOM 1089 O ARG A 71 20.118 9.265 -3.045 1.00 25.00 O ATOM 1090 CB ARG A 71 21.259 10.869 -0.522 1.00 25.00 C ATOM 1091 CG ARG A 71 21.280 12.358 -0.829 1.00 25.00 C ATOM 1092 CD ARG A 71 20.807 13.194 0.366 1.00 25.00 C ATOM 1093 NE ARG A 71 21.797 13.217 1.472 1.00 25.00 N ATOM 1094 CZ ARG A 71 21.531 12.981 2.753 1.00 25.00 C ATOM 1095 NH1 ARG A 71 20.332 12.664 3.186 1.00 25.00 N ATOM 1096 NH2 ARG A 71 22.498 13.070 3.617 1.00 25.00 N ATOM 0 H ARG A 71 23.557 11.215 -1.484 1.00 25.00 H new ATOM 0 HA ARG A 71 21.832 8.926 -1.218 1.00 25.00 H new ATOM 0 HB2 ARG A 71 20.224 10.565 -0.366 1.00 25.00 H new ATOM 0 HB3 ARG A 71 21.784 10.705 0.419 1.00 25.00 H new ATOM 0 HG2 ARG A 71 22.291 12.658 -1.104 1.00 25.00 H new ATOM 0 HG3 ARG A 71 20.642 12.561 -1.689 1.00 25.00 H new ATOM 0 HD2 ARG A 71 20.612 14.214 0.037 1.00 25.00 H new ATOM 0 HD3 ARG A 71 19.864 12.792 0.736 1.00 25.00 H new ATOM 0 HE ARG A 71 22.764 13.432 1.228 1.00 25.00 H new ATOM 0 HH11 ARG A 71 19.556 12.590 2.529 1.00 25.00 H new ATOM 0 HH12 ARG A 71 20.177 12.492 4.179 1.00 25.00 H new ATOM 0 HH21 ARG A 71 23.438 13.317 3.307 1.00 25.00 H new ATOM 0 HH22 ARG A 71 22.317 12.893 4.605 1.00 25.00 H new ATOM 1110 N GLU A 72 21.530 10.797 -3.828 1.00 25.00 N ATOM 1111 CA GLU A 72 20.861 10.887 -5.137 1.00 25.00 C ATOM 1112 C GLU A 72 20.946 9.571 -5.892 1.00 25.00 C ATOM 1113 O GLU A 72 19.997 9.184 -6.566 1.00 25.00 O ATOM 1114 CB GLU A 72 21.450 12.008 -6.004 1.00 25.00 C ATOM 1115 CG GLU A 72 20.522 13.225 -6.190 1.00 25.00 C ATOM 1116 CD GLU A 72 20.422 14.130 -4.954 1.00 25.00 C ATOM 1117 OE1 GLU A 72 20.977 15.250 -4.989 1.00 25.00 O ATOM 1118 OE2 GLU A 72 19.668 13.780 -4.011 1.00 25.00 O ATOM 0 H GLU A 72 22.344 11.403 -3.726 1.00 25.00 H new ATOM 0 HA GLU A 72 19.815 11.117 -4.935 1.00 25.00 H new ATOM 0 HB2 GLU A 72 22.385 12.345 -5.555 1.00 25.00 H new ATOM 0 HB3 GLU A 72 21.696 11.601 -6.985 1.00 25.00 H new ATOM 0 HG2 GLU A 72 20.880 13.817 -7.032 1.00 25.00 H new ATOM 0 HG3 GLU A 72 19.524 12.872 -6.450 1.00 25.00 H new ATOM 1125 N GLN A 73 22.059 8.862 -5.749 1.00 25.00 N ATOM 1126 CA GLN A 73 22.224 7.552 -6.394 1.00 25.00 C ATOM 1127 C GLN A 73 21.164 6.574 -5.896 1.00 25.00 C ATOM 1128 O GLN A 73 20.613 5.803 -6.669 1.00 25.00 O ATOM 1129 CB GLN A 73 23.615 6.987 -6.117 1.00 25.00 C ATOM 1130 CG GLN A 73 24.719 7.683 -6.902 1.00 25.00 C ATOM 1131 CD GLN A 73 26.094 7.341 -6.383 1.00 25.00 C ATOM 1132 OE1 GLN A 73 26.634 6.288 -6.665 1.00 25.00 O ATOM 1133 NE2 GLN A 73 26.672 8.244 -5.643 1.00 25.00 N ATOM 0 H GLN A 73 22.861 9.165 -5.196 1.00 25.00 H new ATOM 0 HA GLN A 73 22.106 7.688 -7.469 1.00 25.00 H new ATOM 0 HB2 GLN A 73 23.828 7.073 -5.051 1.00 25.00 H new ATOM 0 HB3 GLN A 73 23.622 5.924 -6.359 1.00 25.00 H new ATOM 0 HG2 GLN A 73 24.649 7.400 -7.952 1.00 25.00 H new ATOM 0 HG3 GLN A 73 24.572 8.762 -6.852 1.00 25.00 H new ATOM 0 HE21 GLN A 73 26.186 9.115 -5.429 1.00 25.00 H new ATOM 0 HE22 GLN A 73 27.610 8.080 -5.278 1.00 25.00 H new ATOM 1142 N GLU A 74 20.859 6.636 -4.611 1.00 25.00 N ATOM 1143 CA GLU A 74 19.835 5.761 -4.036 1.00 25.00 C ATOM 1144 C GLU A 74 18.433 6.224 -4.412 1.00 25.00 C ATOM 1145 O GLU A 74 17.531 5.415 -4.609 1.00 25.00 O ATOM 1146 CB GLU A 74 19.991 5.711 -2.522 1.00 25.00 C ATOM 1147 CG GLU A 74 21.377 5.206 -2.085 1.00 25.00 C ATOM 1148 CD GLU A 74 21.721 3.859 -2.720 1.00 25.00 C ATOM 1149 OE1 GLU A 74 20.880 2.932 -2.639 1.00 25.00 O ATOM 1150 OE2 GLU A 74 22.793 3.731 -3.343 1.00 25.00 O ATOM 0 H GLU A 74 21.297 7.274 -3.947 1.00 25.00 H new ATOM 0 HA GLU A 74 19.972 4.760 -4.445 1.00 25.00 H new ATOM 0 HB2 GLU A 74 19.825 6.707 -2.111 1.00 25.00 H new ATOM 0 HB3 GLU A 74 19.223 5.061 -2.103 1.00 25.00 H new ATOM 0 HG2 GLU A 74 22.134 5.941 -2.360 1.00 25.00 H new ATOM 0 HG3 GLU A 74 21.403 5.112 -0.999 1.00 25.00 H new ATOM 1157 N ARG A 75 18.246 7.527 -4.579 1.00 25.00 N ATOM 1158 CA ARG A 75 16.936 8.048 -5.008 1.00 25.00 C ATOM 1159 C ARG A 75 16.582 7.576 -6.424 1.00 25.00 C ATOM 1160 O ARG A 75 15.451 7.180 -6.680 1.00 25.00 O ATOM 1161 CB ARG A 75 16.916 9.575 -4.962 1.00 25.00 C ATOM 1162 CG ARG A 75 16.927 10.139 -3.542 1.00 25.00 C ATOM 1163 CD ARG A 75 17.125 11.645 -3.550 1.00 25.00 C ATOM 1164 NE ARG A 75 15.927 12.339 -4.055 1.00 25.00 N ATOM 1165 CZ ARG A 75 15.867 13.623 -4.386 1.00 25.00 C ATOM 1166 NH1 ARG A 75 16.900 14.419 -4.307 1.00 25.00 N ATOM 1167 NH2 ARG A 75 14.734 14.114 -4.807 1.00 25.00 N ATOM 0 H ARG A 75 18.963 8.237 -4.430 1.00 25.00 H new ATOM 0 HA ARG A 75 16.192 7.658 -4.314 1.00 25.00 H new ATOM 0 HB2 ARG A 75 17.780 9.959 -5.504 1.00 25.00 H new ATOM 0 HB3 ARG A 75 16.028 9.935 -5.481 1.00 25.00 H new ATOM 0 HG2 ARG A 75 15.988 9.896 -3.044 1.00 25.00 H new ATOM 0 HG3 ARG A 75 17.724 9.668 -2.967 1.00 25.00 H new ATOM 0 HD2 ARG A 75 17.350 11.990 -2.541 1.00 25.00 H new ATOM 0 HD3 ARG A 75 17.984 11.898 -4.172 1.00 25.00 H new ATOM 0 HE ARG A 75 15.075 11.788 -4.159 1.00 25.00 H new ATOM 0 HH11 ARG A 75 17.797 14.060 -3.981 1.00 25.00 H new ATOM 0 HH12 ARG A 75 16.809 15.400 -4.572 1.00 25.00 H new ATOM 0 HH21 ARG A 75 13.913 13.513 -4.877 1.00 25.00 H new ATOM 0 HH22 ARG A 75 14.670 15.099 -5.066 1.00 25.00 H new ATOM 1181 N ILE A 76 17.541 7.607 -7.342 1.00 25.00 N ATOM 1182 CA ILE A 76 17.274 7.161 -8.720 1.00 25.00 C ATOM 1183 C ILE A 76 17.218 5.634 -8.806 1.00 25.00 C ATOM 1184 O ILE A 76 16.716 5.080 -9.779 1.00 25.00 O ATOM 1185 CB ILE A 76 18.309 7.723 -9.740 1.00 25.00 C ATOM 1186 CG1 ILE A 76 19.720 7.157 -9.472 1.00 25.00 C ATOM 1187 CG2 ILE A 76 18.302 9.275 -9.692 1.00 25.00 C ATOM 1188 CD1 ILE A 76 20.768 7.534 -10.516 1.00 25.00 C ATOM 0 H ILE A 76 18.494 7.928 -7.171 1.00 25.00 H new ATOM 0 HA ILE A 76 16.298 7.564 -8.991 1.00 25.00 H new ATOM 0 HB ILE A 76 18.023 7.405 -10.743 1.00 25.00 H new ATOM 0 HG12 ILE A 76 20.057 7.506 -8.496 1.00 25.00 H new ATOM 0 HG13 ILE A 76 19.656 6.070 -9.417 1.00 25.00 H new ATOM 0 HG21 ILE A 76 19.027 9.664 -10.407 1.00 25.00 H new ATOM 0 HG22 ILE A 76 17.308 9.642 -9.947 1.00 25.00 H new ATOM 0 HG23 ILE A 76 18.566 9.609 -8.689 1.00 25.00 H new ATOM 0 HD11 ILE A 76 21.727 7.092 -10.245 1.00 25.00 H new ATOM 0 HD12 ILE A 76 20.460 7.161 -11.492 1.00 25.00 H new ATOM 0 HD13 ILE A 76 20.867 8.619 -10.557 1.00 25.00 H new ATOM 1200 N ARG A 77 17.737 4.967 -7.780 1.00 25.00 N ATOM 1201 CA ARG A 77 17.744 3.499 -7.721 1.00 25.00 C ATOM 1202 C ARG A 77 16.334 2.945 -7.615 1.00 25.00 C ATOM 1203 O ARG A 77 16.084 1.809 -8.039 1.00 25.00 O ATOM 1204 CB ARG A 77 18.562 3.054 -6.507 1.00 25.00 C ATOM 1205 CG ARG A 77 19.007 1.612 -6.505 1.00 25.00 C ATOM 1206 CD ARG A 77 19.939 1.422 -5.324 1.00 25.00 C ATOM 1207 NE ARG A 77 20.627 0.121 -5.348 1.00 25.00 N ATOM 1208 CZ ARG A 77 21.647 -0.210 -4.564 1.00 25.00 C ATOM 1209 NH1 ARG A 77 22.142 0.607 -3.674 1.00 25.00 N ATOM 1210 NH2 ARG A 77 22.180 -1.396 -4.686 1.00 25.00 N ATOM 0 H ARG A 77 18.162 5.418 -6.970 1.00 25.00 H new ATOM 0 HA ARG A 77 18.189 3.116 -8.639 1.00 25.00 H new ATOM 0 HB2 ARG A 77 19.447 3.687 -6.437 1.00 25.00 H new ATOM 0 HB3 ARG A 77 17.970 3.233 -5.609 1.00 25.00 H new ATOM 0 HG2 ARG A 77 18.148 0.946 -6.426 1.00 25.00 H new ATOM 0 HG3 ARG A 77 19.515 1.367 -7.437 1.00 25.00 H new ATOM 0 HD2 ARG A 77 20.681 2.221 -5.319 1.00 25.00 H new ATOM 0 HD3 ARG A 77 19.369 1.510 -4.399 1.00 25.00 H new ATOM 0 HE ARG A 77 20.297 -0.577 -6.015 1.00 25.00 H new ATOM 0 HH11 ARG A 77 21.744 1.539 -3.561 1.00 25.00 H new ATOM 0 HH12 ARG A 77 22.926 0.313 -3.092 1.00 25.00 H new ATOM 0 HH21 ARG A 77 21.812 -2.052 -5.375 1.00 25.00 H new ATOM 0 HH22 ARG A 77 22.964 -1.666 -4.092 1.00 25.00 H new ATOM 1224 N LEU A 78 15.437 3.756 -7.049 1.00 25.00 N ATOM 1225 CA LEU A 78 14.010 3.461 -6.818 1.00 25.00 C ATOM 1226 C LEU A 78 13.723 2.307 -5.844 1.00 25.00 C ATOM 1227 O LEU A 78 12.919 2.444 -4.925 1.00 25.00 O ATOM 1228 CB LEU A 78 13.310 3.232 -8.163 1.00 25.00 C ATOM 1229 CG LEU A 78 11.799 2.930 -8.137 1.00 25.00 C ATOM 1230 CD1 LEU A 78 10.991 4.093 -7.550 1.00 25.00 C ATOM 1231 CD2 LEU A 78 11.320 2.642 -9.566 1.00 25.00 C ATOM 0 H LEU A 78 15.694 4.687 -6.720 1.00 25.00 H new ATOM 0 HA LEU A 78 13.604 4.339 -6.316 1.00 25.00 H new ATOM 0 HB2 LEU A 78 13.465 4.118 -8.778 1.00 25.00 H new ATOM 0 HB3 LEU A 78 13.810 2.404 -8.666 1.00 25.00 H new ATOM 0 HG LEU A 78 11.639 2.062 -7.497 1.00 25.00 H new ATOM 0 HD11 LEU A 78 9.931 3.837 -7.551 1.00 25.00 H new ATOM 0 HD12 LEU A 78 11.317 4.283 -6.528 1.00 25.00 H new ATOM 0 HD13 LEU A 78 11.149 4.987 -8.154 1.00 25.00 H new ATOM 0 HD21 LEU A 78 10.251 2.427 -9.555 1.00 25.00 H new ATOM 0 HD22 LEU A 78 11.509 3.512 -10.195 1.00 25.00 H new ATOM 0 HD23 LEU A 78 11.859 1.782 -9.964 1.00 25.00 H new ATOM 1243 N PHE A 79 14.390 1.187 -6.028 1.00 25.00 N ATOM 1244 CA PHE A 79 14.245 0.038 -5.150 1.00 25.00 C ATOM 1245 C PHE A 79 15.336 0.097 -4.090 1.00 25.00 C ATOM 1246 O PHE A 79 16.394 -0.530 -4.214 1.00 25.00 O ATOM 1247 CB PHE A 79 14.355 -1.249 -5.945 1.00 25.00 C ATOM 1248 CG PHE A 79 13.336 -1.350 -7.049 1.00 25.00 C ATOM 1249 CD1 PHE A 79 12.053 -1.861 -6.776 1.00 25.00 C ATOM 1250 CD2 PHE A 79 13.640 -0.925 -8.361 1.00 25.00 C ATOM 1251 CE1 PHE A 79 11.077 -1.951 -7.801 1.00 25.00 C ATOM 1252 CE2 PHE A 79 12.674 -1.011 -9.393 1.00 25.00 C ATOM 1253 CZ PHE A 79 11.391 -1.532 -9.111 1.00 25.00 C ATOM 0 H PHE A 79 15.051 1.044 -6.792 1.00 25.00 H new ATOM 0 HA PHE A 79 13.265 0.059 -4.674 1.00 25.00 H new ATOM 0 HB2 PHE A 79 15.355 -1.320 -6.374 1.00 25.00 H new ATOM 0 HB3 PHE A 79 14.236 -2.097 -5.271 1.00 25.00 H new ATOM 0 HD1 PHE A 79 11.809 -2.188 -5.776 1.00 25.00 H new ATOM 0 HD2 PHE A 79 14.621 -0.530 -8.580 1.00 25.00 H new ATOM 0 HE1 PHE A 79 10.094 -2.340 -7.579 1.00 25.00 H new ATOM 0 HE2 PHE A 79 12.917 -0.680 -10.392 1.00 25.00 H new ATOM 0 HZ PHE A 79 10.653 -1.609 -9.896 1.00 25.00 H new ATOM 1263 N SER A 80 15.055 0.870 -3.060 1.00 25.00 N ATOM 1264 CA SER A 80 15.977 1.073 -1.955 1.00 25.00 C ATOM 1265 C SER A 80 15.253 0.800 -0.640 1.00 25.00 C ATOM 1266 O SER A 80 14.294 1.482 -0.305 1.00 25.00 O ATOM 1267 CB SER A 80 16.480 2.512 -1.996 1.00 25.00 C ATOM 1268 OG SER A 80 15.370 3.395 -2.052 1.00 25.00 O ATOM 0 H SER A 80 14.176 1.379 -2.963 1.00 25.00 H new ATOM 0 HA SER A 80 16.825 0.393 -2.036 1.00 25.00 H new ATOM 0 HB2 SER A 80 17.084 2.724 -1.113 1.00 25.00 H new ATOM 0 HB3 SER A 80 17.122 2.661 -2.864 1.00 25.00 H new ATOM 0 HG SER A 80 15.622 4.261 -1.669 1.00 25.00 H new ATOM 1274 N ALA A 81 15.701 -0.220 0.080 1.00 25.00 N ATOM 1275 CA ALA A 81 15.083 -0.603 1.355 1.00 25.00 C ATOM 1276 C ALA A 81 15.862 0.034 2.514 1.00 25.00 C ATOM 1277 O ALA A 81 15.994 -0.552 3.585 1.00 25.00 O ATOM 1278 CB ALA A 81 15.057 -2.135 1.486 1.00 25.00 C ATOM 0 H ALA A 81 16.492 -0.802 -0.193 1.00 25.00 H new ATOM 0 HA ALA A 81 14.055 -0.242 1.387 1.00 25.00 H new ATOM 0 HB1 ALA A 81 14.597 -2.411 2.435 1.00 25.00 H new ATOM 0 HB2 ALA A 81 14.480 -2.561 0.665 1.00 25.00 H new ATOM 0 HB3 ALA A 81 16.076 -2.521 1.451 1.00 25.00 H new ATOM 1284 N ASP A 82 16.405 1.209 2.248 1.00 25.00 N ATOM 1285 CA ASP A 82 17.213 1.953 3.205 1.00 25.00 C ATOM 1286 C ASP A 82 16.448 3.229 3.550 1.00 25.00 C ATOM 1287 O ASP A 82 15.666 3.716 2.733 1.00 25.00 O ATOM 1288 CB ASP A 82 18.567 2.299 2.576 1.00 25.00 C ATOM 1289 CG ASP A 82 19.735 1.796 3.407 1.00 25.00 C ATOM 1290 OD1 ASP A 82 19.874 0.565 3.551 1.00 25.00 O ATOM 1291 OD2 ASP A 82 20.511 2.632 3.924 1.00 25.00 O ATOM 0 H ASP A 82 16.297 1.681 1.350 1.00 25.00 H new ATOM 0 HA ASP A 82 17.397 1.365 4.104 1.00 25.00 H new ATOM 0 HB2 ASP A 82 18.622 1.866 1.577 1.00 25.00 H new ATOM 0 HB3 ASP A 82 18.645 3.380 2.460 1.00 25.00 H new ATOM 1296 N PRO A 83 16.633 3.776 4.764 1.00 25.00 N ATOM 1297 CA PRO A 83 15.854 4.976 5.091 1.00 25.00 C ATOM 1298 C PRO A 83 16.394 6.248 4.432 1.00 25.00 C ATOM 1299 O PRO A 83 17.567 6.354 4.096 1.00 25.00 O ATOM 1300 CB PRO A 83 15.986 5.059 6.615 1.00 25.00 C ATOM 1301 CG PRO A 83 17.341 4.534 6.866 1.00 25.00 C ATOM 1302 CD PRO A 83 17.489 3.375 5.898 1.00 25.00 C ATOM 0 HA PRO A 83 14.828 4.905 4.730 1.00 25.00 H new ATOM 0 HB2 PRO A 83 15.878 6.083 6.973 1.00 25.00 H new ATOM 0 HB3 PRO A 83 15.224 4.464 7.118 1.00 25.00 H new ATOM 0 HG2 PRO A 83 18.100 5.296 6.690 1.00 25.00 H new ATOM 0 HG3 PRO A 83 17.453 4.204 7.899 1.00 25.00 H new ATOM 0 HD2 PRO A 83 18.526 3.236 5.591 1.00 25.00 H new ATOM 0 HD3 PRO A 83 17.158 2.435 6.340 1.00 25.00 H new ATOM 1310 N PHE A 84 15.521 7.238 4.311 1.00 25.00 N ATOM 1311 CA PHE A 84 15.876 8.550 3.764 1.00 25.00 C ATOM 1312 C PHE A 84 15.427 9.596 4.775 1.00 25.00 C ATOM 1313 O PHE A 84 15.023 10.688 4.407 1.00 25.00 O ATOM 1314 CB PHE A 84 15.180 8.781 2.417 1.00 25.00 C ATOM 1315 CG PHE A 84 15.682 7.889 1.311 1.00 25.00 C ATOM 1316 CD1 PHE A 84 15.151 6.605 1.133 1.00 25.00 C ATOM 1317 CD2 PHE A 84 16.673 8.347 0.426 1.00 25.00 C ATOM 1318 CE1 PHE A 84 15.606 5.768 0.086 1.00 25.00 C ATOM 1319 CE2 PHE A 84 17.143 7.521 -0.634 1.00 25.00 C ATOM 1320 CZ PHE A 84 16.611 6.227 -0.798 1.00 25.00 C ATOM 0 H PHE A 84 14.543 7.159 4.589 1.00 25.00 H new ATOM 0 HA PHE A 84 16.950 8.613 3.591 1.00 25.00 H new ATOM 0 HB2 PHE A 84 14.109 8.623 2.541 1.00 25.00 H new ATOM 0 HB3 PHE A 84 15.317 9.821 2.122 1.00 25.00 H new ATOM 0 HD1 PHE A 84 14.384 6.249 1.804 1.00 25.00 H new ATOM 0 HD2 PHE A 84 17.083 9.338 0.552 1.00 25.00 H new ATOM 0 HE1 PHE A 84 15.187 4.780 -0.038 1.00 25.00 H new ATOM 0 HE2 PHE A 84 17.904 7.885 -1.309 1.00 25.00 H new ATOM 0 HZ PHE A 84 16.968 5.589 -1.593 1.00 25.00 H new ATOM 1330 N ASP A 85 15.476 9.185 6.040 1.00 25.00 N ATOM 1331 CA ASP A 85 14.962 9.926 7.208 1.00 25.00 C ATOM 1332 C ASP A 85 13.434 10.053 7.192 1.00 25.00 C ATOM 1333 O ASP A 85 12.847 10.783 6.406 1.00 25.00 O ATOM 1334 CB ASP A 85 15.640 11.287 7.367 1.00 25.00 C ATOM 1335 CG ASP A 85 15.463 11.850 8.755 1.00 25.00 C ATOM 1336 OD1 ASP A 85 14.664 11.278 9.534 1.00 25.00 O ATOM 1337 OD2 ASP A 85 16.142 12.838 9.095 1.00 25.00 O ATOM 0 H ASP A 85 15.891 8.290 6.299 1.00 25.00 H new ATOM 0 HA ASP A 85 15.220 9.334 8.086 1.00 25.00 H new ATOM 0 HB2 ASP A 85 16.703 11.190 7.149 1.00 25.00 H new ATOM 0 HB3 ASP A 85 15.228 11.984 6.638 1.00 25.00 H new ATOM 1342 N LEU A 86 12.798 9.271 8.054 1.00 25.00 N ATOM 1343 CA LEU A 86 11.342 9.252 8.152 1.00 25.00 C ATOM 1344 C LEU A 86 10.801 10.458 8.916 1.00 25.00 C ATOM 1345 O LEU A 86 9.642 10.826 8.752 1.00 25.00 O ATOM 1346 CB LEU A 86 10.881 7.949 8.815 1.00 25.00 C ATOM 1347 CG LEU A 86 11.406 7.665 10.235 1.00 25.00 C ATOM 1348 CD1 LEU A 86 10.347 7.976 11.286 1.00 25.00 C ATOM 1349 CD2 LEU A 86 11.822 6.195 10.356 1.00 25.00 C ATOM 0 H LEU A 86 13.270 8.637 8.700 1.00 25.00 H new ATOM 0 HA LEU A 86 10.941 9.307 7.140 1.00 25.00 H new ATOM 0 HB2 LEU A 86 9.792 7.954 8.851 1.00 25.00 H new ATOM 0 HB3 LEU A 86 11.175 7.119 8.172 1.00 25.00 H new ATOM 0 HG LEU A 86 12.268 8.309 10.408 1.00 25.00 H new ATOM 0 HD11 LEU A 86 10.746 7.766 12.278 1.00 25.00 H new ATOM 0 HD12 LEU A 86 10.069 9.028 11.222 1.00 25.00 H new ATOM 0 HD13 LEU A 86 9.467 7.357 11.110 1.00 25.00 H new ATOM 0 HD21 LEU A 86 12.192 6.003 11.363 1.00 25.00 H new ATOM 0 HD22 LEU A 86 10.962 5.556 10.158 1.00 25.00 H new ATOM 0 HD23 LEU A 86 12.609 5.979 9.633 1.00 25.00 H new ATOM 1361 N GLU A 87 11.634 11.043 9.762 1.00 25.00 N ATOM 1362 CA GLU A 87 11.254 12.237 10.514 1.00 25.00 C ATOM 1363 C GLU A 87 11.537 13.456 9.643 1.00 25.00 C ATOM 1364 O GLU A 87 10.655 14.288 9.409 1.00 25.00 O ATOM 1365 CB GLU A 87 12.080 12.337 11.804 1.00 25.00 C ATOM 1366 CG GLU A 87 11.569 11.464 12.929 1.00 25.00 C ATOM 1367 CD GLU A 87 10.466 12.148 13.719 1.00 25.00 C ATOM 1368 OE1 GLU A 87 9.318 11.663 13.712 1.00 25.00 O ATOM 1369 OE2 GLU A 87 10.753 13.201 14.334 1.00 25.00 O ATOM 0 H GLU A 87 12.581 10.712 9.948 1.00 25.00 H new ATOM 0 HA GLU A 87 10.198 12.186 10.778 1.00 25.00 H new ATOM 0 HB2 GLU A 87 13.112 12.063 11.585 1.00 25.00 H new ATOM 0 HB3 GLU A 87 12.090 13.374 12.138 1.00 25.00 H new ATOM 0 HG2 GLU A 87 11.194 10.526 12.519 1.00 25.00 H new ATOM 0 HG3 GLU A 87 12.393 11.214 13.597 1.00 25.00 H new ATOM 1376 N ALA A 88 12.783 13.537 9.176 1.00 25.00 N ATOM 1377 CA ALA A 88 13.265 14.584 8.270 1.00 25.00 C ATOM 1378 C ALA A 88 12.822 16.012 8.648 1.00 25.00 C ATOM 1379 O ALA A 88 12.470 16.829 7.787 1.00 25.00 O ATOM 1380 CB ALA A 88 12.855 14.232 6.832 1.00 25.00 C ATOM 0 H ALA A 88 13.505 12.860 9.423 1.00 25.00 H new ATOM 0 HA ALA A 88 14.351 14.605 8.360 1.00 25.00 H new ATOM 0 HB1 ALA A 88 13.210 15.007 6.152 1.00 25.00 H new ATOM 0 HB2 ALA A 88 13.294 13.275 6.552 1.00 25.00 H new ATOM 0 HB3 ALA A 88 11.769 14.165 6.769 1.00 25.00 H new ATOM 1386 N GLN A 89 12.833 16.302 9.946 1.00 25.00 N ATOM 1387 CA GLN A 89 12.399 17.592 10.462 1.00 25.00 C ATOM 1388 C GLN A 89 13.443 18.219 11.388 1.00 25.00 C ATOM 1389 O GLN A 89 14.453 17.594 11.703 1.00 25.00 O ATOM 1390 CB GLN A 89 11.071 17.429 11.205 1.00 25.00 C ATOM 1391 CG GLN A 89 11.129 16.604 12.512 1.00 25.00 C ATOM 1392 CD GLN A 89 9.849 16.733 13.316 1.00 25.00 C ATOM 1393 OE1 GLN A 89 9.259 17.802 13.396 1.00 25.00 O ATOM 1394 NE2 GLN A 89 9.432 15.669 13.934 1.00 25.00 N ATOM 0 H GLN A 89 13.143 15.650 10.666 1.00 25.00 H new ATOM 0 HA GLN A 89 12.269 18.264 9.614 1.00 25.00 H new ATOM 0 HB2 GLN A 89 10.684 18.420 11.440 1.00 25.00 H new ATOM 0 HB3 GLN A 89 10.355 16.958 10.532 1.00 25.00 H new ATOM 0 HG2 GLN A 89 11.304 15.555 12.272 1.00 25.00 H new ATOM 0 HG3 GLN A 89 11.973 16.938 13.116 1.00 25.00 H new ATOM 0 HE21 GLN A 89 9.947 14.793 13.846 1.00 25.00 H new ATOM 0 HE22 GLN A 89 8.589 15.709 14.507 1.00 25.00 H new ATOM 1403 N ALA A 90 13.152 19.446 11.830 1.00 25.00 N ATOM 1404 CA ALA A 90 14.027 20.233 12.712 1.00 25.00 C ATOM 1405 C ALA A 90 15.390 20.541 12.064 1.00 25.00 C ATOM 1406 O ALA A 90 15.596 20.316 10.875 1.00 25.00 O ATOM 1407 CB ALA A 90 14.186 19.536 14.086 1.00 25.00 C ATOM 0 H ALA A 90 12.289 19.930 11.583 1.00 25.00 H new ATOM 0 HA ALA A 90 13.545 21.197 12.876 1.00 25.00 H new ATOM 0 HB1 ALA A 90 14.837 20.134 14.724 1.00 25.00 H new ATOM 0 HB2 ALA A 90 13.209 19.435 14.558 1.00 25.00 H new ATOM 0 HB3 ALA A 90 14.625 18.548 13.944 1.00 25.00 H new ATOM 1413 N LYS A 91 16.273 21.141 12.855 1.00 25.00 N ATOM 1414 CA LYS A 91 17.599 21.557 12.413 1.00 25.00 C ATOM 1415 C LYS A 91 18.495 21.340 13.608 1.00 25.00 C ATOM 1416 O LYS A 91 18.001 21.277 14.740 1.00 25.00 O ATOM 1417 CB LYS A 91 17.613 23.049 12.081 1.00 25.00 C ATOM 1418 CG LYS A 91 16.814 23.452 10.838 1.00 25.00 C ATOM 1419 CD LYS A 91 16.670 24.963 10.758 1.00 25.00 C ATOM 1420 CE LYS A 91 15.600 25.508 11.705 1.00 25.00 C ATOM 1421 NZ LYS A 91 15.830 26.967 11.975 1.00 25.00 N ATOM 0 H LYS A 91 16.085 21.355 13.834 1.00 25.00 H new ATOM 0 HA LYS A 91 17.909 21.004 11.526 1.00 25.00 H new ATOM 0 HB2 LYS A 91 17.222 23.598 12.937 1.00 25.00 H new ATOM 0 HB3 LYS A 91 18.648 23.364 11.945 1.00 25.00 H new ATOM 0 HG2 LYS A 91 17.313 23.081 9.943 1.00 25.00 H new ATOM 0 HG3 LYS A 91 15.828 22.989 10.868 1.00 25.00 H new ATOM 0 HD2 LYS A 91 17.628 25.427 10.993 1.00 25.00 H new ATOM 0 HD3 LYS A 91 16.421 25.246 9.735 1.00 25.00 H new ATOM 0 HE2 LYS A 91 14.612 25.364 11.268 1.00 25.00 H new ATOM 0 HE3 LYS A 91 15.618 24.952 12.642 1.00 25.00 H new ATOM 0 HZ1 LYS A 91 15.066 27.333 12.579 1.00 25.00 H new ATOM 0 HZ2 LYS A 91 16.743 27.091 12.458 1.00 25.00 H new ATOM 0 HZ3 LYS A 91 15.841 27.489 11.076 1.00 25.00 H new ATOM 1435 N ILE A 92 19.794 21.284 13.378 1.00 25.00 N ATOM 1436 CA ILE A 92 20.772 21.204 14.451 1.00 25.00 C ATOM 1437 C ILE A 92 21.708 22.376 14.184 1.00 25.00 C ATOM 1438 O ILE A 92 22.418 22.394 13.185 1.00 25.00 O ATOM 1439 CB ILE A 92 21.543 19.837 14.463 1.00 25.00 C ATOM 1440 CG1 ILE A 92 20.540 18.669 14.613 1.00 25.00 C ATOM 1441 CG2 ILE A 92 22.590 19.814 15.618 1.00 25.00 C ATOM 1442 CD1 ILE A 92 21.142 17.275 14.404 1.00 25.00 C ATOM 0 H ILE A 92 20.202 21.293 12.443 1.00 25.00 H new ATOM 0 HA ILE A 92 20.302 21.255 15.433 1.00 25.00 H new ATOM 0 HB ILE A 92 22.075 19.722 13.519 1.00 25.00 H new ATOM 0 HG12 ILE A 92 20.098 18.713 15.609 1.00 25.00 H new ATOM 0 HG13 ILE A 92 19.729 18.810 13.898 1.00 25.00 H new ATOM 0 HG21 ILE A 92 23.116 18.860 15.613 1.00 25.00 H new ATOM 0 HG22 ILE A 92 23.306 20.624 15.476 1.00 25.00 H new ATOM 0 HG23 ILE A 92 22.081 19.943 16.573 1.00 25.00 H new ATOM 0 HD11 ILE A 92 20.365 16.521 14.529 1.00 25.00 H new ATOM 0 HD12 ILE A 92 21.558 17.205 13.399 1.00 25.00 H new ATOM 0 HD13 ILE A 92 21.932 17.106 15.136 1.00 25.00 H new ATOM 1454 N GLU A 93 21.613 23.392 15.028 1.00 25.00 N ATOM 1455 CA GLU A 93 22.350 24.642 14.845 1.00 25.00 C ATOM 1456 C GLU A 93 23.235 24.850 16.067 1.00 25.00 C ATOM 1457 O GLU A 93 22.787 24.665 17.207 1.00 25.00 O ATOM 1458 CB GLU A 93 21.373 25.823 14.702 1.00 25.00 C ATOM 1459 CG GLU A 93 20.480 25.739 13.466 1.00 25.00 C ATOM 1460 CD GLU A 93 19.474 26.885 13.392 1.00 25.00 C ATOM 1461 OE1 GLU A 93 18.249 26.601 13.325 1.00 25.00 O ATOM 1462 OE2 GLU A 93 19.895 28.062 13.366 1.00 25.00 O ATOM 0 H GLU A 93 21.024 23.377 15.861 1.00 25.00 H new ATOM 0 HA GLU A 93 22.955 24.589 13.940 1.00 25.00 H new ATOM 0 HB2 GLU A 93 20.744 25.871 15.591 1.00 25.00 H new ATOM 0 HB3 GLU A 93 21.943 26.751 14.664 1.00 25.00 H new ATOM 0 HG2 GLU A 93 21.102 25.748 12.571 1.00 25.00 H new ATOM 0 HG3 GLU A 93 19.944 24.790 13.473 1.00 25.00 H new ATOM 1469 N GLU A 94 24.496 25.174 15.843 1.00 25.00 N ATOM 1470 CA GLU A 94 25.452 25.319 16.933 1.00 25.00 C ATOM 1471 C GLU A 94 25.347 26.678 17.634 1.00 25.00 C ATOM 1472 O GLU A 94 25.509 27.741 17.022 1.00 25.00 O ATOM 1473 CB GLU A 94 26.876 25.145 16.417 1.00 25.00 C ATOM 1474 CG GLU A 94 27.195 23.743 15.871 1.00 25.00 C ATOM 1475 CD GLU A 94 26.710 23.497 14.431 1.00 25.00 C ATOM 1476 OE1 GLU A 94 26.789 22.333 13.978 1.00 25.00 O ATOM 1477 OE2 GLU A 94 26.256 24.459 13.767 1.00 25.00 O ATOM 0 H GLU A 94 24.885 25.343 14.915 1.00 25.00 H new ATOM 0 HA GLU A 94 25.210 24.543 17.659 1.00 25.00 H new ATOM 0 HB2 GLU A 94 27.054 25.876 15.629 1.00 25.00 H new ATOM 0 HB3 GLU A 94 27.571 25.372 17.225 1.00 25.00 H new ATOM 0 HG2 GLU A 94 28.273 23.588 15.910 1.00 25.00 H new ATOM 0 HG3 GLU A 94 26.742 22.999 16.526 1.00 25.00 H new ATOM 1484 N ASP A 95 25.158 26.626 18.945 1.00 25.00 N ATOM 1485 CA ASP A 95 25.067 27.820 19.792 1.00 25.00 C ATOM 1486 C ASP A 95 26.441 28.469 20.085 1.00 25.00 C ATOM 1487 O ASP A 95 26.630 29.142 21.094 1.00 25.00 O ATOM 1488 CB ASP A 95 24.332 27.447 21.093 1.00 25.00 C ATOM 1489 CG ASP A 95 22.884 27.891 21.089 1.00 25.00 C ATOM 1490 OD1 ASP A 95 22.004 27.098 21.464 1.00 25.00 O ATOM 1491 OD2 ASP A 95 22.625 29.063 20.751 1.00 25.00 O ATOM 0 H ASP A 95 25.062 25.751 19.460 1.00 25.00 H new ATOM 0 HA ASP A 95 24.504 28.579 19.248 1.00 25.00 H new ATOM 0 HB2 ASP A 95 24.377 26.367 21.235 1.00 25.00 H new ATOM 0 HB3 ASP A 95 24.846 27.902 21.940 1.00 25.00 H new ATOM 1496 N ILE A 96 27.396 28.300 19.176 1.00 25.00 N ATOM 1497 CA ILE A 96 28.741 28.894 19.309 1.00 25.00 C ATOM 1498 C ILE A 96 28.657 30.353 18.805 1.00 25.00 C ATOM 1499 O ILE A 96 29.369 30.795 17.901 1.00 25.00 O ATOM 1500 CB ILE A 96 29.836 28.064 18.529 1.00 25.00 C ATOM 1501 CG1 ILE A 96 29.745 26.564 18.903 1.00 25.00 C ATOM 1502 CG2 ILE A 96 31.274 28.569 18.884 1.00 25.00 C ATOM 1503 CD1 ILE A 96 30.597 25.634 18.019 1.00 25.00 C ATOM 0 H ILE A 96 27.270 27.751 18.326 1.00 25.00 H new ATOM 0 HA ILE A 96 29.054 28.875 20.353 1.00 25.00 H new ATOM 0 HB ILE A 96 29.651 28.198 17.463 1.00 25.00 H new ATOM 0 HG12 ILE A 96 30.054 26.442 19.941 1.00 25.00 H new ATOM 0 HG13 ILE A 96 28.703 26.249 18.841 1.00 25.00 H new ATOM 0 HG21 ILE A 96 32.011 27.983 18.335 1.00 25.00 H new ATOM 0 HG22 ILE A 96 31.369 29.620 18.610 1.00 25.00 H new ATOM 0 HG23 ILE A 96 31.445 28.457 19.955 1.00 25.00 H new ATOM 0 HD11 ILE A 96 30.474 24.603 18.351 1.00 25.00 H new ATOM 0 HD12 ILE A 96 30.275 25.722 16.981 1.00 25.00 H new ATOM 0 HD13 ILE A 96 31.646 25.918 18.098 1.00 25.00 H new ATOM 1515 N ARG A 97 27.726 31.090 19.385 1.00 25.00 N ATOM 1516 CA ARG A 97 27.412 32.458 18.966 1.00 25.00 C ATOM 1517 C ARG A 97 28.280 33.478 19.695 1.00 25.00 C ATOM 1518 O ARG A 97 27.810 34.502 20.182 1.00 25.00 O ATOM 1519 CB ARG A 97 25.920 32.732 19.231 1.00 25.00 C ATOM 1520 CG ARG A 97 24.986 31.873 18.377 1.00 25.00 C ATOM 1521 CD ARG A 97 23.744 31.466 19.142 1.00 25.00 C ATOM 1522 NE ARG A 97 22.877 32.604 19.477 1.00 25.00 N ATOM 1523 CZ ARG A 97 21.697 32.506 20.088 1.00 25.00 C ATOM 1524 NH1 ARG A 97 21.185 31.373 20.467 1.00 25.00 N ATOM 1525 NH2 ARG A 97 21.015 33.591 20.327 1.00 25.00 N ATOM 0 H ARG A 97 27.159 30.760 20.166 1.00 25.00 H new ATOM 0 HA ARG A 97 27.623 32.557 17.901 1.00 25.00 H new ATOM 0 HB2 ARG A 97 25.706 32.552 20.285 1.00 25.00 H new ATOM 0 HB3 ARG A 97 25.711 33.784 19.039 1.00 25.00 H new ATOM 0 HG2 ARG A 97 24.698 32.427 17.483 1.00 25.00 H new ATOM 0 HG3 ARG A 97 25.516 30.981 18.042 1.00 25.00 H new ATOM 0 HD2 ARG A 97 23.178 30.747 18.549 1.00 25.00 H new ATOM 0 HD3 ARG A 97 24.040 30.959 20.060 1.00 25.00 H new ATOM 0 HE ARG A 97 23.202 33.537 19.223 1.00 25.00 H new ATOM 0 HH11 ARG A 97 21.691 30.503 20.300 1.00 25.00 H new ATOM 0 HH12 ARG A 97 20.277 31.354 20.931 1.00 25.00 H new ATOM 0 HH21 ARG A 97 21.386 34.499 20.047 1.00 25.00 H new ATOM 0 HH22 ARG A 97 20.110 33.532 20.794 1.00 25.00 H new ATOM 1539 N GLN A 98 29.581 33.184 19.758 1.00 25.00 N ATOM 1540 CA GLN A 98 30.632 34.010 20.409 1.00 25.00 C ATOM 1541 C GLN A 98 30.454 34.164 21.930 1.00 25.00 C ATOM 1542 O GLN A 98 31.310 33.851 22.723 1.00 25.00 O ATOM 1543 CB GLN A 98 30.837 35.390 19.729 1.00 25.00 C ATOM 1544 CG GLN A 98 31.221 35.231 18.251 1.00 25.00 C ATOM 1545 CD GLN A 98 31.583 36.566 17.653 1.00 25.00 C ATOM 1546 OE1 GLN A 98 32.457 37.274 18.081 1.00 25.00 O ATOM 1547 NE2 GLN A 98 30.883 36.959 16.601 1.00 25.00 N ATOM 1548 OXT GLN A 98 29.321 34.690 22.319 1.00 25.00 O ATOM 0 H GLN A 98 29.959 32.332 19.344 1.00 25.00 H new ATOM 0 HA GLN A 98 31.546 33.436 20.260 1.00 25.00 H new ATOM 0 HB2 GLN A 98 29.922 35.977 19.808 1.00 25.00 H new ATOM 0 HB3 GLN A 98 31.617 35.944 20.252 1.00 25.00 H new ATOM 0 HG2 GLN A 98 32.063 34.545 18.160 1.00 25.00 H new ATOM 0 HG3 GLN A 98 30.390 34.792 17.699 1.00 25.00 H new ATOM 0 HE21 GLN A 98 30.140 36.365 16.232 1.00 25.00 H new ATOM 0 HE22 GLN A 98 31.086 37.856 16.159 1.00 25.00 H new TER 1558 GLN A 98