USER MOD reduce.3.24.130724 H: found=0, std=0, add=776, rem=0, adj=16 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= -0.0571 K(o=-0.11,f=-4.4!) USER MOD Set 1.2: A 64 GLN : amide:sc= -0.0489 K(o=-0.11,f=-0.67) USER MOD Set 2.1: A 51 SER OG : rot 73:sc= 1.63 USER MOD Set 2.2: A 56 LYS NZ :NH3+ -166:sc= 0.521 (180deg=0) USER MOD Set 3.1: A 12 THR OG1 : rot 180:sc= 0.0225 USER MOD Set 3.2: A 13 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 1 SER OG : rot 157:sc= 1.25 USER MOD Set 4.2: A 20 ASN : amide:sc= 1.05 K(o=2.3,f=-1.1) USER MOD Single : A 1 SER N :NH3+ -171:sc= -0.161 (180deg=-0.304) USER MOD Single : A 2 GLN : amide:sc= -0.475 K(o=-0.48,f=-1.9!) USER MOD Single : A 3 GLN : amide:sc= 0.036 X(o=0.036,f=-0.044) USER MOD Single : A 4 SER OG : rot -46:sc= 0.403 USER MOD Single : A 5 HIS : no HE2:sc= 0.806 K(o=0.81,f=-2.5!) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc=-0.00468 USER MOD Single : A 16 GLN : amide:sc= -0.187 X(o=-0.19,f=-0.61) USER MOD Single : A 27 MET CE :methyl -140:sc= 0 (180deg=-0.11) USER MOD Single : A 31 ASN : amide:sc= -1.2 K(o=-1.2,f=-6.6!) USER MOD Single : A 33 HIS : no HD1:sc= -0.018 X(o=-0.018,f=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= -0.0794 USER MOD Single : A 65 GLN : amide:sc= 0.0994 X(o=0.099,f=-0.04) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 GLN : amide:sc= 0.315 X(o=0.31,f=-0.032) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= 0.908 K(o=0.91,f=-0.13) USER MOD Single : A 91 LYS NZ :NH3+ -142:sc= 0.943 (180deg=-0.019) USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 24.429 32.560 -14.707 1.00 25.00 N ATOM 2 CA SER A 1 23.742 31.252 -14.565 1.00 25.00 C ATOM 3 C SER A 1 22.408 31.345 -13.865 1.00 25.00 C ATOM 4 O SER A 1 21.521 30.522 -13.971 1.00 25.00 O ATOM 5 CB SER A 1 24.683 30.316 -13.800 1.00 25.00 C ATOM 6 OG SER A 1 25.967 30.401 -14.432 1.00 25.00 O ATOM 0 H1 SER A 1 25.259 32.451 -15.325 1.00 25.00 H new ATOM 0 H2 SER A 1 23.775 33.252 -15.125 1.00 25.00 H new ATOM 0 H3 SER A 1 24.736 32.894 -13.771 1.00 25.00 H new ATOM 0 HA SER A 1 23.520 30.871 -15.562 1.00 25.00 H new ATOM 0 HB2 SER A 1 24.749 30.609 -12.752 1.00 25.00 H new ATOM 0 HB3 SER A 1 24.310 29.292 -13.822 1.00 25.00 H new ATOM 0 HG SER A 1 26.663 30.135 -13.795 1.00 25.00 H new ATOM 14 N GLN A 2 22.273 32.449 -13.130 1.00 25.00 N ATOM 15 CA GLN A 2 21.075 32.756 -12.353 1.00 25.00 C ATOM 16 C GLN A 2 19.926 33.155 -13.277 1.00 25.00 C ATOM 17 O GLN A 2 19.847 34.287 -13.732 1.00 25.00 O ATOM 18 CB GLN A 2 21.348 33.891 -11.352 1.00 25.00 C ATOM 19 CG GLN A 2 22.249 33.504 -10.167 1.00 25.00 C ATOM 20 CD GLN A 2 23.682 33.216 -10.570 1.00 25.00 C ATOM 21 OE1 GLN A 2 24.343 34.036 -11.186 1.00 25.00 O ATOM 22 NE2 GLN A 2 24.159 32.047 -10.240 1.00 25.00 N ATOM 0 H GLN A 2 23.000 33.161 -13.057 1.00 25.00 H new ATOM 0 HA GLN A 2 20.796 31.859 -11.800 1.00 25.00 H new ATOM 0 HB2 GLN A 2 21.809 34.723 -11.884 1.00 25.00 H new ATOM 0 HB3 GLN A 2 20.395 34.251 -10.963 1.00 25.00 H new ATOM 0 HG2 GLN A 2 22.240 34.311 -9.435 1.00 25.00 H new ATOM 0 HG3 GLN A 2 21.833 32.624 -9.676 1.00 25.00 H new ATOM 0 HE21 GLN A 2 23.578 31.386 -9.725 1.00 25.00 H new ATOM 0 HE22 GLN A 2 25.113 31.794 -10.497 1.00 25.00 H new ATOM 31 N GLN A 3 19.027 32.216 -13.534 1.00 25.00 N ATOM 32 CA GLN A 3 17.873 32.466 -14.402 1.00 25.00 C ATOM 33 C GLN A 3 16.793 33.280 -13.689 1.00 25.00 C ATOM 34 O GLN A 3 15.826 33.711 -14.308 1.00 25.00 O ATOM 35 CB GLN A 3 17.262 31.135 -14.865 1.00 25.00 C ATOM 36 CG GLN A 3 18.244 30.213 -15.590 1.00 25.00 C ATOM 37 CD GLN A 3 18.898 30.879 -16.783 1.00 25.00 C ATOM 38 OE1 GLN A 3 18.236 31.412 -17.655 1.00 25.00 O ATOM 39 NE2 GLN A 3 20.204 30.862 -16.815 1.00 25.00 N ATOM 0 H GLN A 3 19.070 31.270 -13.155 1.00 25.00 H new ATOM 0 HA GLN A 3 18.231 33.037 -15.259 1.00 25.00 H new ATOM 0 HB2 GLN A 3 16.862 30.611 -13.997 1.00 25.00 H new ATOM 0 HB3 GLN A 3 16.422 31.345 -15.527 1.00 25.00 H new ATOM 0 HG2 GLN A 3 19.016 29.889 -14.891 1.00 25.00 H new ATOM 0 HG3 GLN A 3 17.718 29.318 -15.922 1.00 25.00 H new ATOM 0 HE21 GLN A 3 20.727 30.406 -16.067 1.00 25.00 H new ATOM 0 HE22 GLN A 3 20.701 31.305 -17.588 1.00 25.00 H new ATOM 48 N SER A 4 16.948 33.434 -12.376 1.00 25.00 N ATOM 49 CA SER A 4 15.990 34.158 -11.520 1.00 25.00 C ATOM 50 C SER A 4 14.572 33.567 -11.571 1.00 25.00 C ATOM 51 O SER A 4 13.600 34.225 -11.210 1.00 25.00 O ATOM 52 CB SER A 4 15.960 35.649 -11.886 1.00 25.00 C ATOM 53 OG SER A 4 15.331 36.406 -10.866 1.00 25.00 O ATOM 0 H SER A 4 17.747 33.059 -11.864 1.00 25.00 H new ATOM 0 HA SER A 4 16.342 34.043 -10.495 1.00 25.00 H new ATOM 0 HB2 SER A 4 16.977 36.011 -12.039 1.00 25.00 H new ATOM 0 HB3 SER A 4 15.428 35.786 -12.827 1.00 25.00 H new ATOM 0 HG SER A 4 14.503 35.960 -10.591 1.00 25.00 H new ATOM 59 N HIS A 5 14.462 32.321 -12.007 1.00 25.00 N ATOM 60 CA HIS A 5 13.176 31.641 -12.067 1.00 25.00 C ATOM 61 C HIS A 5 12.865 31.060 -10.696 1.00 25.00 C ATOM 62 O HIS A 5 13.605 30.225 -10.187 1.00 25.00 O ATOM 63 CB HIS A 5 13.208 30.510 -13.101 1.00 25.00 C ATOM 64 CG HIS A 5 12.983 30.970 -14.510 1.00 25.00 C ATOM 65 ND1 HIS A 5 13.580 32.068 -15.082 1.00 25.00 N ATOM 66 CD2 HIS A 5 12.191 30.451 -15.490 1.00 25.00 C ATOM 67 CE1 HIS A 5 13.147 32.173 -16.333 1.00 25.00 C ATOM 68 NE2 HIS A 5 12.290 31.218 -16.634 1.00 25.00 N ATOM 0 H HIS A 5 15.251 31.758 -12.326 1.00 25.00 H new ATOM 0 HA HIS A 5 12.409 32.357 -12.361 1.00 25.00 H new ATOM 0 HB2 HIS A 5 14.172 30.005 -13.043 1.00 25.00 H new ATOM 0 HB3 HIS A 5 12.447 29.774 -12.843 1.00 25.00 H new ATOM 0 HD1 HIS A 5 14.242 32.695 -14.624 1.00 25.00 H new ATOM 0 HD2 HIS A 5 11.576 29.569 -15.387 1.00 25.00 H new ATOM 0 HE1 HIS A 5 13.459 32.946 -17.020 1.00 25.00 H new ATOM 76 N SER A 6 11.751 31.486 -10.119 1.00 25.00 N ATOM 77 CA SER A 6 11.294 30.972 -8.825 1.00 25.00 C ATOM 78 C SER A 6 10.340 29.800 -9.037 1.00 25.00 C ATOM 79 O SER A 6 9.693 29.328 -8.105 1.00 25.00 O ATOM 80 CB SER A 6 10.569 32.075 -8.056 1.00 25.00 C ATOM 81 OG SER A 6 11.383 33.233 -7.967 1.00 25.00 O ATOM 0 H SER A 6 11.138 32.192 -10.527 1.00 25.00 H new ATOM 0 HA SER A 6 12.160 30.637 -8.255 1.00 25.00 H new ATOM 0 HB2 SER A 6 9.631 32.319 -8.555 1.00 25.00 H new ATOM 0 HB3 SER A 6 10.315 31.723 -7.056 1.00 25.00 H new ATOM 0 HG SER A 6 10.905 33.932 -7.473 1.00 25.00 H new ATOM 87 N SER A 7 10.217 29.377 -10.285 1.00 25.00 N ATOM 88 CA SER A 7 9.285 28.323 -10.657 1.00 25.00 C ATOM 89 C SER A 7 9.679 26.975 -10.055 1.00 25.00 C ATOM 90 O SER A 7 10.854 26.592 -10.079 1.00 25.00 O ATOM 91 CB SER A 7 9.261 28.193 -12.179 1.00 25.00 C ATOM 92 OG SER A 7 9.071 29.465 -12.780 1.00 25.00 O ATOM 0 H SER A 7 10.757 29.752 -11.065 1.00 25.00 H new ATOM 0 HA SER A 7 8.302 28.594 -10.271 1.00 25.00 H new ATOM 0 HB2 SER A 7 10.196 27.755 -12.528 1.00 25.00 H new ATOM 0 HB3 SER A 7 8.460 27.518 -12.480 1.00 25.00 H new ATOM 0 HG SER A 7 9.059 29.368 -13.755 1.00 25.00 H new ATOM 98 N PRO A 8 8.701 26.211 -9.538 1.00 25.00 N ATOM 99 CA PRO A 8 9.102 24.877 -9.118 1.00 25.00 C ATOM 100 C PRO A 8 9.366 24.022 -10.344 1.00 25.00 C ATOM 101 O PRO A 8 8.841 24.268 -11.422 1.00 25.00 O ATOM 102 CB PRO A 8 7.883 24.378 -8.340 1.00 25.00 C ATOM 103 CG PRO A 8 6.748 25.036 -9.003 1.00 25.00 C ATOM 104 CD PRO A 8 7.255 26.413 -9.349 1.00 25.00 C ATOM 0 HA PRO A 8 10.014 24.849 -8.521 1.00 25.00 H new ATOM 0 HB2 PRO A 8 7.797 23.292 -8.385 1.00 25.00 H new ATOM 0 HB3 PRO A 8 7.943 24.650 -7.286 1.00 25.00 H new ATOM 0 HG2 PRO A 8 6.440 24.491 -9.896 1.00 25.00 H new ATOM 0 HG3 PRO A 8 5.880 25.087 -8.345 1.00 25.00 H new ATOM 0 HD2 PRO A 8 6.783 26.799 -10.252 1.00 25.00 H new ATOM 0 HD3 PRO A 8 7.051 27.128 -8.552 1.00 25.00 H new ATOM 112 N GLY A 9 10.186 23.011 -10.155 1.00 25.00 N ATOM 113 CA GLY A 9 10.519 22.094 -11.237 1.00 25.00 C ATOM 114 C GLY A 9 11.848 22.374 -11.900 1.00 25.00 C ATOM 115 O GLY A 9 12.404 21.516 -12.575 1.00 25.00 O ATOM 0 H GLY A 9 10.637 22.799 -9.265 1.00 25.00 H new ATOM 0 HA2 GLY A 9 10.528 21.077 -10.846 1.00 25.00 H new ATOM 0 HA3 GLY A 9 9.733 22.139 -11.991 1.00 25.00 H new ATOM 119 N GLU A 10 12.383 23.556 -11.651 1.00 25.00 N ATOM 120 CA GLU A 10 13.668 23.991 -12.234 1.00 25.00 C ATOM 121 C GLU A 10 14.908 23.346 -11.609 1.00 25.00 C ATOM 122 O GLU A 10 16.022 23.859 -11.687 1.00 25.00 O ATOM 123 CB GLU A 10 13.791 25.521 -12.139 1.00 25.00 C ATOM 124 CG GLU A 10 12.711 26.281 -12.900 1.00 25.00 C ATOM 125 CD GLU A 10 12.729 25.979 -14.387 1.00 25.00 C ATOM 126 OE1 GLU A 10 11.653 25.689 -14.946 1.00 25.00 O ATOM 127 OE2 GLU A 10 13.822 26.023 -14.994 1.00 25.00 O ATOM 0 H GLU A 10 11.950 24.250 -11.042 1.00 25.00 H new ATOM 0 HA GLU A 10 13.644 23.656 -13.271 1.00 25.00 H new ATOM 0 HB2 GLU A 10 13.755 25.813 -11.090 1.00 25.00 H new ATOM 0 HB3 GLU A 10 14.768 25.821 -12.520 1.00 25.00 H new ATOM 0 HG2 GLU A 10 11.734 26.024 -12.492 1.00 25.00 H new ATOM 0 HG3 GLU A 10 12.848 27.352 -12.748 1.00 25.00 H new ATOM 134 N ILE A 11 14.711 22.178 -11.029 1.00 25.00 N ATOM 135 CA ILE A 11 15.722 21.390 -10.422 1.00 25.00 C ATOM 136 C ILE A 11 16.489 20.583 -11.457 1.00 25.00 C ATOM 137 O ILE A 11 17.357 19.776 -11.151 1.00 25.00 O ATOM 138 CB ILE A 11 15.047 20.428 -9.425 1.00 25.00 C ATOM 139 CG1 ILE A 11 13.513 20.650 -9.303 1.00 25.00 C ATOM 140 CG2 ILE A 11 15.685 20.614 -8.095 1.00 25.00 C ATOM 141 CD1 ILE A 11 12.789 19.657 -8.371 1.00 25.00 C ATOM 0 H ILE A 11 13.788 21.747 -10.975 1.00 25.00 H new ATOM 0 HA ILE A 11 16.430 22.047 -9.916 1.00 25.00 H new ATOM 0 HB ILE A 11 15.183 19.412 -9.796 1.00 25.00 H new ATOM 0 HG12 ILE A 11 13.334 21.663 -8.942 1.00 25.00 H new ATOM 0 HG13 ILE A 11 13.070 20.583 -10.297 1.00 25.00 H new ATOM 0 HG21 ILE A 11 15.222 19.942 -7.372 1.00 25.00 H new ATOM 0 HG22 ILE A 11 16.750 20.391 -8.168 1.00 25.00 H new ATOM 0 HG23 ILE A 11 15.552 21.645 -7.769 1.00 25.00 H new ATOM 0 HD11 ILE A 11 11.724 19.889 -8.349 1.00 25.00 H new ATOM 0 HD12 ILE A 11 12.931 18.641 -8.740 1.00 25.00 H new ATOM 0 HD13 ILE A 11 13.199 19.738 -7.364 1.00 25.00 H new ATOM 153 N THR A 12 16.137 20.848 -12.696 1.00 25.00 N ATOM 154 CA THR A 12 16.751 20.232 -13.865 1.00 25.00 C ATOM 155 C THR A 12 18.029 20.969 -14.223 1.00 25.00 C ATOM 156 O THR A 12 18.835 20.500 -15.022 1.00 25.00 O ATOM 157 CB THR A 12 15.812 20.363 -15.065 1.00 25.00 C ATOM 158 OG1 THR A 12 15.402 21.729 -15.176 1.00 25.00 O ATOM 159 CG2 THR A 12 14.564 19.511 -14.883 1.00 25.00 C ATOM 0 H THR A 12 15.399 21.512 -12.930 1.00 25.00 H new ATOM 0 HA THR A 12 16.955 19.186 -13.635 1.00 25.00 H new ATOM 0 HB THR A 12 16.343 20.029 -15.956 1.00 25.00 H new ATOM 0 HG1 THR A 12 14.800 21.829 -15.943 1.00 25.00 H new ATOM 0 HG21 THR A 12 13.916 19.625 -15.752 1.00 25.00 H new ATOM 0 HG22 THR A 12 14.850 18.464 -14.778 1.00 25.00 H new ATOM 0 HG23 THR A 12 14.031 19.833 -13.988 1.00 25.00 H new ATOM 167 N SER A 13 18.189 22.144 -13.636 1.00 25.00 N ATOM 168 CA SER A 13 19.324 23.012 -13.904 1.00 25.00 C ATOM 169 C SER A 13 19.929 23.464 -12.585 1.00 25.00 C ATOM 170 O SER A 13 19.350 23.252 -11.525 1.00 25.00 O ATOM 171 CB SER A 13 18.852 24.228 -14.702 1.00 25.00 C ATOM 172 OG SER A 13 18.303 23.827 -15.943 1.00 25.00 O ATOM 0 H SER A 13 17.531 22.525 -12.956 1.00 25.00 H new ATOM 0 HA SER A 13 20.076 22.473 -14.481 1.00 25.00 H new ATOM 0 HB2 SER A 13 18.106 24.778 -14.129 1.00 25.00 H new ATOM 0 HB3 SER A 13 19.689 24.906 -14.870 1.00 25.00 H new ATOM 0 HG SER A 13 18.005 24.618 -16.439 1.00 25.00 H new ATOM 178 N SER A 14 21.077 24.123 -12.652 1.00 25.00 N ATOM 179 CA SER A 14 21.729 24.671 -11.457 1.00 25.00 C ATOM 180 C SER A 14 21.799 26.205 -11.488 1.00 25.00 C ATOM 181 O SER A 14 22.894 26.776 -11.503 1.00 25.00 O ATOM 182 CB SER A 14 23.141 24.101 -11.339 1.00 25.00 C ATOM 183 OG SER A 14 23.095 22.691 -11.224 1.00 25.00 O ATOM 0 H SER A 14 21.582 24.295 -13.521 1.00 25.00 H new ATOM 0 HA SER A 14 21.129 24.383 -10.593 1.00 25.00 H new ATOM 0 HB2 SER A 14 23.728 24.382 -12.213 1.00 25.00 H new ATOM 0 HB3 SER A 14 23.641 24.527 -10.469 1.00 25.00 H new ATOM 0 HG SER A 14 24.007 22.339 -11.151 1.00 25.00 H new ATOM 189 N PRO A 15 20.638 26.900 -11.474 1.00 25.00 N ATOM 190 CA PRO A 15 20.740 28.364 -11.561 1.00 25.00 C ATOM 191 C PRO A 15 21.305 28.999 -10.308 1.00 25.00 C ATOM 192 O PRO A 15 21.787 30.120 -10.324 1.00 25.00 O ATOM 193 CB PRO A 15 19.290 28.790 -11.779 1.00 25.00 C ATOM 194 CG PRO A 15 18.495 27.757 -11.090 1.00 25.00 C ATOM 195 CD PRO A 15 19.222 26.475 -11.403 1.00 25.00 C ATOM 0 HA PRO A 15 21.424 28.679 -12.349 1.00 25.00 H new ATOM 0 HB2 PRO A 15 19.100 29.780 -11.364 1.00 25.00 H new ATOM 0 HB3 PRO A 15 19.045 28.837 -12.840 1.00 25.00 H new ATOM 0 HG2 PRO A 15 18.448 27.938 -10.016 1.00 25.00 H new ATOM 0 HG3 PRO A 15 17.468 27.734 -11.454 1.00 25.00 H new ATOM 0 HD2 PRO A 15 19.065 25.724 -10.629 1.00 25.00 H new ATOM 0 HD3 PRO A 15 18.884 26.039 -12.343 1.00 25.00 H new ATOM 203 N GLN A 16 21.279 28.244 -9.223 1.00 25.00 N ATOM 204 CA GLN A 16 21.806 28.703 -7.943 1.00 25.00 C ATOM 205 C GLN A 16 23.320 28.871 -7.916 1.00 25.00 C ATOM 206 O GLN A 16 23.852 29.305 -6.924 1.00 25.00 O ATOM 207 CB GLN A 16 21.378 27.751 -6.818 1.00 25.00 C ATOM 208 CG GLN A 16 19.893 27.849 -6.448 1.00 25.00 C ATOM 209 CD GLN A 16 19.524 29.208 -5.861 1.00 25.00 C ATOM 210 OE1 GLN A 16 19.288 30.159 -6.584 1.00 25.00 O ATOM 211 NE2 GLN A 16 19.473 29.294 -4.557 1.00 25.00 N ATOM 0 H GLN A 16 20.895 27.299 -9.201 1.00 25.00 H new ATOM 0 HA GLN A 16 21.381 29.695 -7.790 1.00 25.00 H new ATOM 0 HB2 GLN A 16 21.600 26.727 -7.119 1.00 25.00 H new ATOM 0 HB3 GLN A 16 21.977 27.960 -5.932 1.00 25.00 H new ATOM 0 HG2 GLN A 16 19.288 27.664 -7.336 1.00 25.00 H new ATOM 0 HG3 GLN A 16 19.649 27.068 -5.728 1.00 25.00 H new ATOM 0 HE21 GLN A 16 19.677 28.476 -3.984 1.00 25.00 H new ATOM 0 HE22 GLN A 16 19.229 30.180 -4.113 1.00 25.00 H new ATOM 220 N GLY A 17 24.024 28.566 -8.992 1.00 25.00 N ATOM 221 CA GLY A 17 25.459 28.791 -8.981 1.00 25.00 C ATOM 222 C GLY A 17 26.223 27.672 -8.323 1.00 25.00 C ATOM 223 O GLY A 17 27.250 27.897 -7.708 1.00 25.00 O ATOM 0 H GLY A 17 23.644 28.176 -9.855 1.00 25.00 H new ATOM 0 HA2 GLY A 17 25.811 28.911 -10.006 1.00 25.00 H new ATOM 0 HA3 GLY A 17 25.671 29.725 -8.460 1.00 25.00 H new ATOM 227 N LEU A 18 25.750 26.446 -8.484 1.00 25.00 N ATOM 228 CA LEU A 18 26.500 25.289 -7.977 1.00 25.00 C ATOM 229 C LEU A 18 27.806 25.177 -8.760 1.00 25.00 C ATOM 230 O LEU A 18 28.839 24.793 -8.234 1.00 25.00 O ATOM 231 CB LEU A 18 25.694 23.997 -8.129 1.00 25.00 C ATOM 232 CG LEU A 18 24.306 23.993 -7.479 1.00 25.00 C ATOM 233 CD1 LEU A 18 23.659 22.627 -7.669 1.00 25.00 C ATOM 234 CD2 LEU A 18 24.358 24.328 -5.976 1.00 25.00 C ATOM 0 H LEU A 18 24.871 26.220 -8.950 1.00 25.00 H new ATOM 0 HA LEU A 18 26.702 25.433 -6.916 1.00 25.00 H new ATOM 0 HB2 LEU A 18 25.576 23.788 -9.192 1.00 25.00 H new ATOM 0 HB3 LEU A 18 26.275 23.178 -7.705 1.00 25.00 H new ATOM 0 HG LEU A 18 23.716 24.768 -7.968 1.00 25.00 H new ATOM 0 HD11 LEU A 18 22.672 22.624 -7.207 1.00 25.00 H new ATOM 0 HD12 LEU A 18 23.561 22.416 -8.734 1.00 25.00 H new ATOM 0 HD13 LEU A 18 24.280 21.862 -7.203 1.00 25.00 H new ATOM 0 HD21 LEU A 18 23.349 24.312 -5.564 1.00 25.00 H new ATOM 0 HD22 LEU A 18 24.972 23.590 -5.460 1.00 25.00 H new ATOM 0 HD23 LEU A 18 24.790 25.319 -5.839 1.00 25.00 H new ATOM 246 N ASP A 19 27.732 25.573 -10.021 1.00 25.00 N ATOM 247 CA ASP A 19 28.891 25.635 -10.914 1.00 25.00 C ATOM 248 C ASP A 19 29.717 26.888 -10.622 1.00 25.00 C ATOM 249 O ASP A 19 30.917 26.949 -10.861 1.00 25.00 O ATOM 250 CB ASP A 19 28.384 25.702 -12.349 1.00 25.00 C ATOM 251 CG ASP A 19 29.510 25.651 -13.365 1.00 25.00 C ATOM 252 OD1 ASP A 19 29.678 26.635 -14.116 1.00 25.00 O ATOM 253 OD2 ASP A 19 30.209 24.620 -13.428 1.00 25.00 O ATOM 0 H ASP A 19 26.860 25.864 -10.463 1.00 25.00 H new ATOM 0 HA ASP A 19 29.517 24.755 -10.763 1.00 25.00 H new ATOM 0 HB2 ASP A 19 27.699 24.873 -12.528 1.00 25.00 H new ATOM 0 HB3 ASP A 19 27.815 26.621 -12.488 1.00 25.00 H new ATOM 258 N ASN A 20 29.046 27.897 -10.086 1.00 25.00 N ATOM 259 CA ASN A 20 29.656 29.180 -9.792 1.00 25.00 C ATOM 260 C ASN A 20 29.594 29.553 -8.313 1.00 25.00 C ATOM 261 O ASN A 20 28.843 30.462 -7.925 1.00 25.00 O ATOM 262 CB ASN A 20 28.914 30.271 -10.553 1.00 25.00 C ATOM 263 CG ASN A 20 28.987 30.117 -12.037 1.00 25.00 C ATOM 264 OD1 ASN A 20 28.000 29.794 -12.675 1.00 25.00 O ATOM 265 ND2 ASN A 20 30.114 30.447 -12.605 1.00 25.00 N ATOM 0 H ASN A 20 28.057 27.845 -9.842 1.00 25.00 H new ATOM 0 HA ASN A 20 30.702 29.096 -10.086 1.00 25.00 H new ATOM 0 HB2 ASN A 20 27.868 30.270 -10.247 1.00 25.00 H new ATOM 0 HB3 ASN A 20 29.326 31.241 -10.276 1.00 25.00 H new ATOM 0 HD21 ASN A 20 30.194 30.441 -13.622 1.00 25.00 H new ATOM 0 HD22 ASN A 20 30.916 30.711 -12.032 1.00 25.00 H new ATOM 272 N PRO A 21 30.445 28.940 -7.478 1.00 25.00 N ATOM 273 CA PRO A 21 30.478 29.326 -6.063 1.00 25.00 C ATOM 274 C PRO A 21 30.829 30.794 -5.880 1.00 25.00 C ATOM 275 O PRO A 21 30.398 31.425 -4.931 1.00 25.00 O ATOM 276 CB PRO A 21 31.584 28.431 -5.488 1.00 25.00 C ATOM 277 CG PRO A 21 32.395 28.059 -6.664 1.00 25.00 C ATOM 278 CD PRO A 21 31.442 27.898 -7.767 1.00 25.00 C ATOM 0 HA PRO A 21 29.511 29.202 -5.575 1.00 25.00 H new ATOM 0 HB2 PRO A 21 32.180 28.961 -4.745 1.00 25.00 H new ATOM 0 HB3 PRO A 21 31.169 27.551 -4.996 1.00 25.00 H new ATOM 0 HG2 PRO A 21 33.131 28.830 -6.892 1.00 25.00 H new ATOM 0 HG3 PRO A 21 32.946 27.136 -6.484 1.00 25.00 H new ATOM 0 HD2 PRO A 21 31.915 28.047 -8.738 1.00 25.00 H new ATOM 0 HD3 PRO A 21 30.998 26.903 -7.778 1.00 25.00 H new ATOM 286 N ALA A 22 31.594 31.346 -6.813 1.00 25.00 N ATOM 287 CA ALA A 22 31.978 32.747 -6.753 1.00 25.00 C ATOM 288 C ALA A 22 30.759 33.669 -6.829 1.00 25.00 C ATOM 289 O ALA A 22 30.689 34.655 -6.101 1.00 25.00 O ATOM 290 CB ALA A 22 32.956 33.056 -7.884 1.00 25.00 C ATOM 0 H ALA A 22 31.960 30.842 -7.621 1.00 25.00 H new ATOM 0 HA ALA A 22 32.462 32.930 -5.794 1.00 25.00 H new ATOM 0 HB1 ALA A 22 33.244 34.106 -7.839 1.00 25.00 H new ATOM 0 HB2 ALA A 22 33.843 32.432 -7.779 1.00 25.00 H new ATOM 0 HB3 ALA A 22 32.480 32.851 -8.843 1.00 25.00 H new ATOM 296 N LEU A 23 29.811 33.337 -7.698 1.00 25.00 N ATOM 297 CA LEU A 23 28.605 34.151 -7.869 1.00 25.00 C ATOM 298 C LEU A 23 27.625 33.889 -6.737 1.00 25.00 C ATOM 299 O LEU A 23 26.997 34.807 -6.231 1.00 25.00 O ATOM 300 CB LEU A 23 27.907 33.837 -9.205 1.00 25.00 C ATOM 301 CG LEU A 23 28.715 33.973 -10.509 1.00 25.00 C ATOM 302 CD1 LEU A 23 27.813 33.625 -11.696 1.00 25.00 C ATOM 303 CD2 LEU A 23 29.309 35.345 -10.721 1.00 25.00 C ATOM 0 H LEU A 23 29.851 32.512 -8.296 1.00 25.00 H new ATOM 0 HA LEU A 23 28.913 35.196 -7.862 1.00 25.00 H new ATOM 0 HB2 LEU A 23 27.535 32.814 -9.151 1.00 25.00 H new ATOM 0 HB3 LEU A 23 27.037 34.489 -9.285 1.00 25.00 H new ATOM 0 HG LEU A 23 29.554 33.282 -10.429 1.00 25.00 H new ATOM 0 HD11 LEU A 23 28.379 33.719 -12.623 1.00 25.00 H new ATOM 0 HD12 LEU A 23 27.454 32.601 -11.592 1.00 25.00 H new ATOM 0 HD13 LEU A 23 26.963 34.307 -11.719 1.00 25.00 H new ATOM 0 HD21 LEU A 23 29.863 35.361 -11.660 1.00 25.00 H new ATOM 0 HD22 LEU A 23 28.510 36.086 -10.758 1.00 25.00 H new ATOM 0 HD23 LEU A 23 29.984 35.580 -9.898 1.00 25.00 H new ATOM 315 N LEU A 24 27.495 32.631 -6.336 1.00 25.00 N ATOM 316 CA LEU A 24 26.550 32.273 -5.279 1.00 25.00 C ATOM 317 C LEU A 24 26.949 32.899 -3.954 1.00 25.00 C ATOM 318 O LEU A 24 26.118 33.436 -3.248 1.00 25.00 O ATOM 319 CB LEU A 24 26.469 30.753 -5.127 1.00 25.00 C ATOM 320 CG LEU A 24 25.547 30.251 -3.999 1.00 25.00 C ATOM 321 CD1 LEU A 24 24.134 30.839 -4.024 1.00 25.00 C ATOM 322 CD2 LEU A 24 25.482 28.742 -4.054 1.00 25.00 C ATOM 0 H LEU A 24 28.024 31.848 -6.719 1.00 25.00 H new ATOM 0 HA LEU A 24 25.571 32.658 -5.564 1.00 25.00 H new ATOM 0 HB2 LEU A 24 26.126 30.328 -6.070 1.00 25.00 H new ATOM 0 HB3 LEU A 24 27.473 30.368 -4.951 1.00 25.00 H new ATOM 0 HG LEU A 24 25.986 30.595 -3.063 1.00 25.00 H new ATOM 0 HD11 LEU A 24 23.555 30.431 -3.196 1.00 25.00 H new ATOM 0 HD12 LEU A 24 24.189 31.923 -3.928 1.00 25.00 H new ATOM 0 HD13 LEU A 24 23.650 30.582 -4.966 1.00 25.00 H new ATOM 0 HD21 LEU A 24 24.832 28.377 -3.259 1.00 25.00 H new ATOM 0 HD22 LEU A 24 25.085 28.430 -5.020 1.00 25.00 H new ATOM 0 HD23 LEU A 24 26.482 28.330 -3.922 1.00 25.00 H new ATOM 334 N ARG A 25 28.231 32.868 -3.641 1.00 25.00 N ATOM 335 CA ARG A 25 28.744 33.500 -2.425 1.00 25.00 C ATOM 336 C ARG A 25 28.360 34.975 -2.428 1.00 25.00 C ATOM 337 O ARG A 25 27.906 35.511 -1.430 1.00 25.00 O ATOM 338 CB ARG A 25 30.273 33.333 -2.399 1.00 25.00 C ATOM 339 CG ARG A 25 31.048 34.228 -1.410 1.00 25.00 C ATOM 340 CD ARG A 25 32.457 34.505 -1.913 1.00 25.00 C ATOM 341 NE ARG A 25 32.383 35.196 -3.201 1.00 25.00 N ATOM 342 CZ ARG A 25 32.293 36.508 -3.379 1.00 25.00 C ATOM 343 NH1 ARG A 25 32.294 37.381 -2.403 1.00 25.00 N ATOM 344 NH2 ARG A 25 32.119 36.931 -4.583 1.00 25.00 N ATOM 0 H ARG A 25 28.944 32.412 -4.210 1.00 25.00 H new ATOM 0 HA ARG A 25 28.318 33.035 -1.536 1.00 25.00 H new ATOM 0 HB2 ARG A 25 30.498 32.292 -2.165 1.00 25.00 H new ATOM 0 HB3 ARG A 25 30.654 33.524 -3.402 1.00 25.00 H new ATOM 0 HG2 ARG A 25 30.516 35.169 -1.272 1.00 25.00 H new ATOM 0 HG3 ARG A 25 31.095 33.743 -0.435 1.00 25.00 H new ATOM 0 HD2 ARG A 25 33.000 35.115 -1.191 1.00 25.00 H new ATOM 0 HD3 ARG A 25 33.008 33.570 -2.020 1.00 25.00 H new ATOM 0 HE ARG A 25 32.402 34.615 -4.039 1.00 25.00 H new ATOM 0 HH11 ARG A 25 32.367 37.065 -1.436 1.00 25.00 H new ATOM 0 HH12 ARG A 25 32.222 38.377 -2.610 1.00 25.00 H new ATOM 0 HH21 ARG A 25 32.056 36.265 -5.353 1.00 25.00 H new ATOM 0 HH22 ARG A 25 32.044 37.932 -4.766 1.00 25.00 H new ATOM 358 N ASP A 26 28.534 35.620 -3.565 1.00 25.00 N ATOM 359 CA ASP A 26 28.250 37.043 -3.683 1.00 25.00 C ATOM 360 C ASP A 26 26.756 37.332 -3.514 1.00 25.00 C ATOM 361 O ASP A 26 26.367 38.223 -2.764 1.00 25.00 O ATOM 362 CB ASP A 26 28.736 37.531 -5.042 1.00 25.00 C ATOM 363 CG ASP A 26 29.267 38.951 -4.991 1.00 25.00 C ATOM 364 OD1 ASP A 26 28.747 39.820 -5.712 1.00 25.00 O ATOM 365 OD2 ASP A 26 30.282 39.169 -4.277 1.00 25.00 O ATOM 0 H ASP A 26 28.871 35.184 -4.423 1.00 25.00 H new ATOM 0 HA ASP A 26 28.774 37.574 -2.888 1.00 25.00 H new ATOM 0 HB2 ASP A 26 29.520 36.866 -5.405 1.00 25.00 H new ATOM 0 HB3 ASP A 26 27.916 37.478 -5.758 1.00 25.00 H new ATOM 370 N MET A 27 25.920 36.529 -4.163 1.00 25.00 N ATOM 371 CA MET A 27 24.465 36.662 -4.056 1.00 25.00 C ATOM 372 C MET A 27 24.010 36.436 -2.628 1.00 25.00 C ATOM 373 O MET A 27 23.153 37.141 -2.130 1.00 25.00 O ATOM 374 CB MET A 27 23.777 35.645 -4.965 1.00 25.00 C ATOM 375 CG MET A 27 22.271 35.843 -5.075 1.00 25.00 C ATOM 376 SD MET A 27 21.497 34.678 -6.227 1.00 25.00 S ATOM 377 CE MET A 27 21.415 33.162 -5.239 1.00 25.00 C ATOM 0 H MET A 27 26.225 35.772 -4.775 1.00 25.00 H new ATOM 0 HA MET A 27 24.194 37.673 -4.362 1.00 25.00 H new ATOM 0 HB2 MET A 27 24.216 35.705 -5.961 1.00 25.00 H new ATOM 0 HB3 MET A 27 23.976 34.641 -4.589 1.00 25.00 H new ATOM 0 HG2 MET A 27 21.820 35.727 -4.089 1.00 25.00 H new ATOM 0 HG3 MET A 27 22.065 36.862 -5.402 1.00 25.00 H new ATOM 0 HE1 MET A 27 21.659 32.305 -5.867 1.00 25.00 H new ATOM 0 HE2 MET A 27 22.128 33.224 -4.417 1.00 25.00 H new ATOM 0 HE3 MET A 27 20.409 33.043 -4.838 1.00 25.00 H new ATOM 387 N LEU A 28 24.598 35.451 -1.971 1.00 25.00 N ATOM 388 CA LEU A 28 24.257 35.133 -0.595 1.00 25.00 C ATOM 389 C LEU A 28 24.600 36.267 0.346 1.00 25.00 C ATOM 390 O LEU A 28 23.810 36.622 1.202 1.00 25.00 O ATOM 391 CB LEU A 28 25.006 33.900 -0.160 1.00 25.00 C ATOM 392 CG LEU A 28 24.261 32.612 -0.469 1.00 25.00 C ATOM 393 CD1 LEU A 28 25.238 31.497 -0.446 1.00 25.00 C ATOM 394 CD2 LEU A 28 23.173 32.385 0.553 1.00 25.00 C ATOM 0 H LEU A 28 25.320 34.853 -2.373 1.00 25.00 H new ATOM 0 HA LEU A 28 23.181 34.964 -0.554 1.00 25.00 H new ATOM 0 HB2 LEU A 28 25.977 33.879 -0.654 1.00 25.00 H new ATOM 0 HB3 LEU A 28 25.195 33.956 0.912 1.00 25.00 H new ATOM 0 HG LEU A 28 23.791 32.672 -1.451 1.00 25.00 H new ATOM 0 HD11 LEU A 28 24.726 30.560 -0.665 1.00 25.00 H new ATOM 0 HD12 LEU A 28 26.009 31.673 -1.196 1.00 25.00 H new ATOM 0 HD13 LEU A 28 25.698 31.437 0.540 1.00 25.00 H new ATOM 0 HD21 LEU A 28 22.645 31.460 0.323 1.00 25.00 H new ATOM 0 HD22 LEU A 28 23.616 32.313 1.546 1.00 25.00 H new ATOM 0 HD23 LEU A 28 22.471 33.219 0.529 1.00 25.00 H new ATOM 406 N LEU A 29 25.778 36.847 0.176 1.00 25.00 N ATOM 407 CA LEU A 29 26.214 37.954 1.030 1.00 25.00 C ATOM 408 C LEU A 29 25.286 39.149 0.846 1.00 25.00 C ATOM 409 O LEU A 29 24.991 39.875 1.792 1.00 25.00 O ATOM 410 CB LEU A 29 27.657 38.350 0.690 1.00 25.00 C ATOM 411 CG LEU A 29 28.734 37.348 1.141 1.00 25.00 C ATOM 412 CD1 LEU A 29 30.035 37.578 0.368 1.00 25.00 C ATOM 413 CD2 LEU A 29 28.992 37.446 2.647 1.00 25.00 C ATOM 0 H LEU A 29 26.451 36.575 -0.541 1.00 25.00 H new ATOM 0 HA LEU A 29 26.176 37.632 2.071 1.00 25.00 H new ATOM 0 HB2 LEU A 29 27.736 38.483 -0.389 1.00 25.00 H new ATOM 0 HB3 LEU A 29 27.869 39.317 1.147 1.00 25.00 H new ATOM 0 HG LEU A 29 28.365 36.345 0.926 1.00 25.00 H new ATOM 0 HD11 LEU A 29 30.786 36.861 0.699 1.00 25.00 H new ATOM 0 HD12 LEU A 29 29.853 37.446 -0.699 1.00 25.00 H new ATOM 0 HD13 LEU A 29 30.394 38.591 0.552 1.00 25.00 H new ATOM 0 HD21 LEU A 29 29.758 36.725 2.933 1.00 25.00 H new ATOM 0 HD22 LEU A 29 29.331 38.452 2.893 1.00 25.00 H new ATOM 0 HD23 LEU A 29 28.071 37.231 3.189 1.00 25.00 H new ATOM 425 N ALA A 30 24.806 39.324 -0.374 1.00 25.00 N ATOM 426 CA ALA A 30 23.887 40.408 -0.698 1.00 25.00 C ATOM 427 C ALA A 30 22.435 40.094 -0.293 1.00 25.00 C ATOM 428 O ALA A 30 21.579 40.979 -0.334 1.00 25.00 O ATOM 429 CB ALA A 30 23.959 40.696 -2.204 1.00 25.00 C ATOM 0 H ALA A 30 25.039 38.724 -1.165 1.00 25.00 H new ATOM 0 HA ALA A 30 24.193 41.284 -0.126 1.00 25.00 H new ATOM 0 HB1 ALA A 30 23.274 41.506 -2.453 1.00 25.00 H new ATOM 0 HB2 ALA A 30 24.975 40.986 -2.471 1.00 25.00 H new ATOM 0 HB3 ALA A 30 23.679 39.801 -2.759 1.00 25.00 H new ATOM 435 N ASN A 31 22.141 38.845 0.050 1.00 25.00 N ATOM 436 CA ASN A 31 20.764 38.432 0.332 1.00 25.00 C ATOM 437 C ASN A 31 20.571 38.005 1.789 1.00 25.00 C ATOM 438 O ASN A 31 20.868 36.866 2.160 1.00 25.00 O ATOM 439 CB ASN A 31 20.380 37.290 -0.603 1.00 25.00 C ATOM 440 CG ASN A 31 18.903 37.054 -0.644 1.00 25.00 C ATOM 441 OD1 ASN A 31 18.217 37.090 0.374 1.00 25.00 O ATOM 442 ND2 ASN A 31 18.399 36.823 -1.822 1.00 25.00 N ATOM 0 H ASN A 31 22.832 38.100 0.140 1.00 25.00 H new ATOM 0 HA ASN A 31 20.116 39.292 0.163 1.00 25.00 H new ATOM 0 HB2 ASN A 31 20.737 37.513 -1.609 1.00 25.00 H new ATOM 0 HB3 ASN A 31 20.882 36.377 -0.281 1.00 25.00 H new ATOM 0 HD21 ASN A 31 17.397 36.663 -1.926 1.00 25.00 H new ATOM 0 HD22 ASN A 31 19.006 36.802 -2.641 1.00 25.00 H new ATOM 449 N PRO A 32 20.027 38.900 2.633 1.00 25.00 N ATOM 450 CA PRO A 32 19.909 38.542 4.050 1.00 25.00 C ATOM 451 C PRO A 32 18.962 37.378 4.356 1.00 25.00 C ATOM 452 O PRO A 32 19.129 36.697 5.361 1.00 25.00 O ATOM 453 CB PRO A 32 19.417 39.845 4.689 1.00 25.00 C ATOM 454 CG PRO A 32 18.701 40.546 3.590 1.00 25.00 C ATOM 455 CD PRO A 32 19.539 40.270 2.386 1.00 25.00 C ATOM 0 HA PRO A 32 20.859 38.172 4.437 1.00 25.00 H new ATOM 0 HB2 PRO A 32 18.756 39.649 5.533 1.00 25.00 H new ATOM 0 HB3 PRO A 32 20.248 40.441 5.066 1.00 25.00 H new ATOM 0 HG2 PRO A 32 17.687 40.166 3.467 1.00 25.00 H new ATOM 0 HG3 PRO A 32 18.619 41.615 3.784 1.00 25.00 H new ATOM 0 HD2 PRO A 32 18.958 40.332 1.466 1.00 25.00 H new ATOM 0 HD3 PRO A 32 20.360 40.981 2.293 1.00 25.00 H new ATOM 463 N HIS A 33 17.977 37.133 3.504 1.00 25.00 N ATOM 464 CA HIS A 33 17.056 36.019 3.726 1.00 25.00 C ATOM 465 C HIS A 33 17.716 34.687 3.374 1.00 25.00 C ATOM 466 O HIS A 33 17.561 33.691 4.078 1.00 25.00 O ATOM 467 CB HIS A 33 15.798 36.195 2.872 1.00 25.00 C ATOM 468 CG HIS A 33 14.778 35.118 3.083 1.00 25.00 C ATOM 469 ND1 HIS A 33 13.778 35.170 4.021 1.00 25.00 N ATOM 470 CD2 HIS A 33 14.615 33.918 2.459 1.00 25.00 C ATOM 471 CE1 HIS A 33 13.071 34.046 3.938 1.00 25.00 C ATOM 472 NE2 HIS A 33 13.539 33.244 3.003 1.00 25.00 N ATOM 0 H HIS A 33 17.793 37.680 2.663 1.00 25.00 H new ATOM 0 HA HIS A 33 16.786 36.014 4.782 1.00 25.00 H new ATOM 0 HB2 HIS A 33 15.347 37.161 3.098 1.00 25.00 H new ATOM 0 HB3 HIS A 33 16.082 36.214 1.820 1.00 25.00 H new ATOM 0 HD2 HIS A 33 15.236 33.548 1.657 1.00 25.00 H new ATOM 0 HE1 HIS A 33 12.218 33.819 4.561 1.00 25.00 H new ATOM 0 HE2 HIS A 33 13.184 32.325 2.738 1.00 25.00 H new ATOM 480 N GLU A 34 18.440 34.672 2.266 1.00 25.00 N ATOM 481 CA GLU A 34 19.022 33.431 1.754 1.00 25.00 C ATOM 482 C GLU A 34 20.195 33.044 2.637 1.00 25.00 C ATOM 483 O GLU A 34 20.371 31.890 2.981 1.00 25.00 O ATOM 484 CB GLU A 34 19.466 33.615 0.301 1.00 25.00 C ATOM 485 CG GLU A 34 18.672 32.789 -0.720 1.00 25.00 C ATOM 486 CD GLU A 34 19.080 31.312 -0.763 1.00 25.00 C ATOM 487 OE1 GLU A 34 20.290 31.015 -0.729 1.00 25.00 O ATOM 488 OE2 GLU A 34 18.182 30.452 -0.902 1.00 25.00 O ATOM 0 H GLU A 34 18.641 35.498 1.703 1.00 25.00 H new ATOM 0 HA GLU A 34 18.279 32.634 1.774 1.00 25.00 H new ATOM 0 HB2 GLU A 34 19.381 34.670 0.040 1.00 25.00 H new ATOM 0 HB3 GLU A 34 20.520 33.351 0.221 1.00 25.00 H new ATOM 0 HG2 GLU A 34 17.610 32.857 -0.484 1.00 25.00 H new ATOM 0 HG3 GLU A 34 18.807 33.224 -1.710 1.00 25.00 H new ATOM 495 N LEU A 35 20.953 34.030 3.084 1.00 25.00 N ATOM 496 CA LEU A 35 22.064 33.767 3.987 1.00 25.00 C ATOM 497 C LEU A 35 21.557 33.234 5.329 1.00 25.00 C ATOM 498 O LEU A 35 22.231 32.452 5.995 1.00 25.00 O ATOM 499 CB LEU A 35 22.928 35.006 4.104 1.00 25.00 C ATOM 500 CG LEU A 35 22.674 36.144 5.089 1.00 25.00 C ATOM 501 CD1 LEU A 35 22.877 35.807 6.556 1.00 25.00 C ATOM 502 CD2 LEU A 35 23.651 37.206 4.666 1.00 25.00 C ATOM 0 H LEU A 35 20.823 35.012 2.840 1.00 25.00 H new ATOM 0 HA LEU A 35 22.699 32.979 3.583 1.00 25.00 H new ATOM 0 HB2 LEU A 35 23.939 34.652 4.305 1.00 25.00 H new ATOM 0 HB3 LEU A 35 22.941 35.461 3.113 1.00 25.00 H new ATOM 0 HG LEU A 35 21.624 36.433 5.046 1.00 25.00 H new ATOM 0 HD11 LEU A 35 22.669 36.688 7.164 1.00 25.00 H new ATOM 0 HD12 LEU A 35 22.200 35.001 6.841 1.00 25.00 H new ATOM 0 HD13 LEU A 35 23.907 35.490 6.717 1.00 25.00 H new ATOM 0 HD21 LEU A 35 23.549 38.075 5.317 1.00 25.00 H new ATOM 0 HD22 LEU A 35 24.666 36.816 4.738 1.00 25.00 H new ATOM 0 HD23 LEU A 35 23.447 37.498 3.636 1.00 25.00 H new ATOM 514 N SER A 36 20.357 33.654 5.713 1.00 25.00 N ATOM 515 CA SER A 36 19.742 33.238 6.974 1.00 25.00 C ATOM 516 C SER A 36 19.236 31.805 6.883 1.00 25.00 C ATOM 517 O SER A 36 19.460 31.006 7.781 1.00 25.00 O ATOM 518 CB SER A 36 18.585 34.167 7.342 1.00 25.00 C ATOM 519 OG SER A 36 18.106 33.874 8.642 1.00 25.00 O ATOM 0 H SER A 36 19.782 34.291 5.162 1.00 25.00 H new ATOM 0 HA SER A 36 20.505 33.294 7.750 1.00 25.00 H new ATOM 0 HB2 SER A 36 18.915 35.205 7.295 1.00 25.00 H new ATOM 0 HB3 SER A 36 17.778 34.057 6.618 1.00 25.00 H new ATOM 0 HG SER A 36 17.367 34.479 8.862 1.00 25.00 H new ATOM 525 N LEU A 37 18.603 31.448 5.775 1.00 25.00 N ATOM 526 CA LEU A 37 18.145 30.074 5.605 1.00 25.00 C ATOM 527 C LEU A 37 19.324 29.178 5.523 1.00 25.00 C ATOM 528 O LEU A 37 19.290 28.046 5.941 1.00 25.00 O ATOM 529 CB LEU A 37 17.248 29.931 4.392 1.00 25.00 C ATOM 530 CG LEU A 37 17.663 29.939 2.915 1.00 25.00 C ATOM 531 CD1 LEU A 37 18.323 28.657 2.471 1.00 25.00 C ATOM 532 CD2 LEU A 37 16.396 30.177 2.088 1.00 25.00 C ATOM 0 H LEU A 37 18.397 32.073 4.996 1.00 25.00 H new ATOM 0 HA LEU A 37 17.542 29.790 6.467 1.00 25.00 H new ATOM 0 HB2 LEU A 37 16.720 28.988 4.536 1.00 25.00 H new ATOM 0 HB3 LEU A 37 16.510 30.727 4.486 1.00 25.00 H new ATOM 0 HG LEU A 37 18.405 30.725 2.771 1.00 25.00 H new ATOM 0 HD11 LEU A 37 18.590 28.732 1.417 1.00 25.00 H new ATOM 0 HD12 LEU A 37 19.223 28.487 3.063 1.00 25.00 H new ATOM 0 HD13 LEU A 37 17.633 27.825 2.612 1.00 25.00 H new ATOM 0 HD21 LEU A 37 16.650 30.190 1.028 1.00 25.00 H new ATOM 0 HD22 LEU A 37 15.681 29.377 2.280 1.00 25.00 H new ATOM 0 HD23 LEU A 37 15.954 31.134 2.366 1.00 25.00 H new ATOM 544 N LEU A 38 20.380 29.695 4.953 1.00 25.00 N ATOM 545 CA LEU A 38 21.580 28.932 4.798 1.00 25.00 C ATOM 546 C LEU A 38 22.228 28.585 6.122 1.00 25.00 C ATOM 547 O LEU A 38 22.596 27.452 6.333 1.00 25.00 O ATOM 548 CB LEU A 38 22.516 29.714 3.926 1.00 25.00 C ATOM 549 CG LEU A 38 23.766 28.930 3.507 1.00 25.00 C ATOM 550 CD1 LEU A 38 23.378 27.790 2.599 1.00 25.00 C ATOM 551 CD2 LEU A 38 24.777 29.818 2.830 1.00 25.00 C ATOM 0 H LEU A 38 20.429 30.646 4.588 1.00 25.00 H new ATOM 0 HA LEU A 38 21.333 27.977 4.334 1.00 25.00 H new ATOM 0 HB2 LEU A 38 21.982 30.035 3.032 1.00 25.00 H new ATOM 0 HB3 LEU A 38 22.824 30.616 4.455 1.00 25.00 H new ATOM 0 HG LEU A 38 24.231 28.531 4.409 1.00 25.00 H new ATOM 0 HD11 LEU A 38 24.271 27.238 2.306 1.00 25.00 H new ATOM 0 HD12 LEU A 38 22.695 27.122 3.125 1.00 25.00 H new ATOM 0 HD13 LEU A 38 22.887 28.184 1.709 1.00 25.00 H new ATOM 0 HD21 LEU A 38 25.649 29.228 2.548 1.00 25.00 H new ATOM 0 HD22 LEU A 38 24.333 30.260 1.938 1.00 25.00 H new ATOM 0 HD23 LEU A 38 25.082 30.610 3.514 1.00 25.00 H new ATOM 563 N LYS A 39 22.328 29.534 7.036 1.00 25.00 N ATOM 564 CA LYS A 39 22.867 29.209 8.368 1.00 25.00 C ATOM 565 C LYS A 39 21.925 28.310 9.154 1.00 25.00 C ATOM 566 O LYS A 39 22.380 27.506 9.954 1.00 25.00 O ATOM 567 CB LYS A 39 23.249 30.460 9.176 1.00 25.00 C ATOM 568 CG LYS A 39 22.176 31.543 9.257 1.00 25.00 C ATOM 569 CD LYS A 39 22.431 32.544 10.368 1.00 25.00 C ATOM 570 CE LYS A 39 23.581 33.483 10.022 1.00 25.00 C ATOM 571 NZ LYS A 39 23.801 34.471 11.128 1.00 25.00 N ATOM 0 H LYS A 39 22.056 30.508 6.900 1.00 25.00 H new ATOM 0 HA LYS A 39 23.789 28.654 8.195 1.00 25.00 H new ATOM 0 HB2 LYS A 39 23.507 30.152 10.189 1.00 25.00 H new ATOM 0 HB3 LYS A 39 24.147 30.895 8.737 1.00 25.00 H new ATOM 0 HG2 LYS A 39 22.126 32.070 8.304 1.00 25.00 H new ATOM 0 HG3 LYS A 39 21.204 31.074 9.413 1.00 25.00 H new ATOM 0 HD2 LYS A 39 21.527 33.126 10.549 1.00 25.00 H new ATOM 0 HD3 LYS A 39 22.659 32.013 11.292 1.00 25.00 H new ATOM 0 HE2 LYS A 39 24.491 32.907 9.854 1.00 25.00 H new ATOM 0 HE3 LYS A 39 23.362 34.010 9.093 1.00 25.00 H new ATOM 0 HZ1 LYS A 39 24.588 35.103 10.877 1.00 25.00 H new ATOM 0 HZ2 LYS A 39 22.937 35.032 11.269 1.00 25.00 H new ATOM 0 HZ3 LYS A 39 24.031 33.964 12.006 1.00 25.00 H new ATOM 585 N GLU A 40 20.632 28.410 8.892 1.00 25.00 N ATOM 586 CA GLU A 40 19.653 27.558 9.565 1.00 25.00 C ATOM 587 C GLU A 40 19.694 26.121 9.023 1.00 25.00 C ATOM 588 O GLU A 40 19.773 25.155 9.773 1.00 25.00 O ATOM 589 CB GLU A 40 18.250 28.149 9.348 1.00 25.00 C ATOM 590 CG GLU A 40 17.135 27.467 10.141 1.00 25.00 C ATOM 591 CD GLU A 40 17.151 27.825 11.628 1.00 25.00 C ATOM 592 OE1 GLU A 40 16.351 27.230 12.379 1.00 25.00 O ATOM 593 OE2 GLU A 40 17.936 28.710 12.039 1.00 25.00 O ATOM 0 H GLU A 40 20.233 29.068 8.222 1.00 25.00 H new ATOM 0 HA GLU A 40 19.894 27.523 10.628 1.00 25.00 H new ATOM 0 HB2 GLU A 40 18.272 29.206 9.614 1.00 25.00 H new ATOM 0 HB3 GLU A 40 18.008 28.093 8.287 1.00 25.00 H new ATOM 0 HG2 GLU A 40 16.171 27.748 9.716 1.00 25.00 H new ATOM 0 HG3 GLU A 40 17.229 26.386 10.032 1.00 25.00 H new ATOM 600 N ARG A 41 19.607 25.988 7.707 1.00 25.00 N ATOM 601 CA ARG A 41 19.507 24.668 7.059 1.00 25.00 C ATOM 602 C ARG A 41 20.840 24.002 6.763 1.00 25.00 C ATOM 603 O ARG A 41 20.928 22.782 6.678 1.00 25.00 O ATOM 604 CB ARG A 41 18.732 24.824 5.753 1.00 25.00 C ATOM 605 CG ARG A 41 17.362 25.421 5.983 1.00 25.00 C ATOM 606 CD ARG A 41 16.567 25.567 4.697 1.00 25.00 C ATOM 607 NE ARG A 41 15.296 26.272 4.943 1.00 25.00 N ATOM 608 CZ ARG A 41 14.471 26.729 4.005 1.00 25.00 C ATOM 609 NH1 ARG A 41 14.726 26.603 2.724 1.00 25.00 N ATOM 610 NH2 ARG A 41 13.372 27.328 4.363 1.00 25.00 N ATOM 0 H ARG A 41 19.603 26.774 7.057 1.00 25.00 H new ATOM 0 HA ARG A 41 18.998 24.017 7.770 1.00 25.00 H new ATOM 0 HB2 ARG A 41 19.295 25.459 5.069 1.00 25.00 H new ATOM 0 HB3 ARG A 41 18.629 23.851 5.273 1.00 25.00 H new ATOM 0 HG2 ARG A 41 16.808 24.792 6.680 1.00 25.00 H new ATOM 0 HG3 ARG A 41 17.470 26.399 6.453 1.00 25.00 H new ATOM 0 HD2 ARG A 41 17.155 26.115 3.961 1.00 25.00 H new ATOM 0 HD3 ARG A 41 16.366 24.582 4.275 1.00 25.00 H new ATOM 0 HE ARG A 41 15.026 26.422 5.915 1.00 25.00 H new ATOM 0 HH11 ARG A 41 15.582 26.141 2.417 1.00 25.00 H new ATOM 0 HH12 ARG A 41 14.068 26.967 2.035 1.00 25.00 H new ATOM 0 HH21 ARG A 41 13.152 27.442 5.353 1.00 25.00 H new ATOM 0 HH22 ARG A 41 12.731 27.683 3.654 1.00 25.00 H new ATOM 624 N ASN A 42 21.858 24.812 6.544 1.00 25.00 N ATOM 625 CA ASN A 42 23.202 24.317 6.194 1.00 25.00 C ATOM 626 C ASN A 42 24.346 25.041 6.918 1.00 25.00 C ATOM 627 O ASN A 42 25.148 25.742 6.277 1.00 25.00 O ATOM 628 CB ASN A 42 23.430 24.465 4.689 1.00 25.00 C ATOM 629 CG ASN A 42 24.523 23.566 4.181 1.00 25.00 C ATOM 630 OD1 ASN A 42 25.230 22.933 4.938 1.00 25.00 O ATOM 631 ND2 ASN A 42 24.659 23.497 2.893 1.00 25.00 N ATOM 0 H ASN A 42 21.791 25.828 6.600 1.00 25.00 H new ATOM 0 HA ASN A 42 23.222 23.274 6.511 1.00 25.00 H new ATOM 0 HB2 ASN A 42 22.504 24.240 4.161 1.00 25.00 H new ATOM 0 HB3 ASN A 42 23.682 25.501 4.463 1.00 25.00 H new ATOM 0 HD21 ASN A 42 25.377 22.897 2.487 1.00 25.00 H new ATOM 0 HD22 ASN A 42 24.048 24.043 2.286 1.00 25.00 H new ATOM 638 N PRO A 43 24.471 24.864 8.245 1.00 25.00 N ATOM 639 CA PRO A 43 25.570 25.589 8.900 1.00 25.00 C ATOM 640 C PRO A 43 27.008 25.396 8.346 1.00 25.00 C ATOM 641 O PRO A 43 27.746 26.377 8.293 1.00 25.00 O ATOM 642 CB PRO A 43 25.450 25.165 10.372 1.00 25.00 C ATOM 643 CG PRO A 43 24.622 23.921 10.366 1.00 25.00 C ATOM 644 CD PRO A 43 23.678 24.083 9.214 1.00 25.00 C ATOM 0 HA PRO A 43 25.450 26.656 8.714 1.00 25.00 H new ATOM 0 HB2 PRO A 43 26.432 24.980 10.808 1.00 25.00 H new ATOM 0 HB3 PRO A 43 24.979 25.947 10.968 1.00 25.00 H new ATOM 0 HG2 PRO A 43 25.244 23.034 10.244 1.00 25.00 H new ATOM 0 HG3 PRO A 43 24.081 23.804 11.305 1.00 25.00 H new ATOM 0 HD2 PRO A 43 23.373 23.121 8.804 1.00 25.00 H new ATOM 0 HD3 PRO A 43 22.769 24.607 9.508 1.00 25.00 H new ATOM 652 N PRO A 44 27.413 24.185 7.876 1.00 25.00 N ATOM 653 CA PRO A 44 28.789 24.209 7.349 1.00 25.00 C ATOM 654 C PRO A 44 29.005 25.001 6.041 1.00 25.00 C ATOM 655 O PRO A 44 30.085 25.543 5.824 1.00 25.00 O ATOM 656 CB PRO A 44 29.104 22.724 7.152 1.00 25.00 C ATOM 657 CG PRO A 44 27.811 22.113 6.873 1.00 25.00 C ATOM 658 CD PRO A 44 26.852 22.820 7.789 1.00 25.00 C ATOM 0 HA PRO A 44 29.446 24.738 8.039 1.00 25.00 H new ATOM 0 HB2 PRO A 44 29.801 22.572 6.328 1.00 25.00 H new ATOM 0 HB3 PRO A 44 29.563 22.294 8.042 1.00 25.00 H new ATOM 0 HG2 PRO A 44 27.529 22.242 5.828 1.00 25.00 H new ATOM 0 HG3 PRO A 44 27.829 21.041 7.069 1.00 25.00 H new ATOM 0 HD2 PRO A 44 25.839 22.826 7.385 1.00 25.00 H new ATOM 0 HD3 PRO A 44 26.803 22.342 8.767 1.00 25.00 H new ATOM 666 N LEU A 45 28.004 25.111 5.168 1.00 25.00 N ATOM 667 CA LEU A 45 28.175 25.958 3.980 1.00 25.00 C ATOM 668 C LEU A 45 28.068 27.410 4.413 1.00 25.00 C ATOM 669 O LEU A 45 28.749 28.290 3.888 1.00 25.00 O ATOM 670 CB LEU A 45 27.149 25.634 2.889 1.00 25.00 C ATOM 671 CG LEU A 45 27.220 26.444 1.571 1.00 25.00 C ATOM 672 CD1 LEU A 45 28.603 26.460 0.917 1.00 25.00 C ATOM 673 CD2 LEU A 45 26.225 25.851 0.569 1.00 25.00 C ATOM 0 H LEU A 45 27.100 24.647 5.250 1.00 25.00 H new ATOM 0 HA LEU A 45 29.155 25.766 3.543 1.00 25.00 H new ATOM 0 HB2 LEU A 45 27.247 24.578 2.639 1.00 25.00 H new ATOM 0 HB3 LEU A 45 26.154 25.770 3.313 1.00 25.00 H new ATOM 0 HG LEU A 45 26.981 27.474 1.835 1.00 25.00 H new ATOM 0 HD11 LEU A 45 28.565 27.048 0.000 1.00 25.00 H new ATOM 0 HD12 LEU A 45 29.325 26.903 1.603 1.00 25.00 H new ATOM 0 HD13 LEU A 45 28.906 25.440 0.681 1.00 25.00 H new ATOM 0 HD21 LEU A 45 26.267 26.415 -0.363 1.00 25.00 H new ATOM 0 HD22 LEU A 45 26.481 24.809 0.375 1.00 25.00 H new ATOM 0 HD23 LEU A 45 25.217 25.906 0.981 1.00 25.00 H new ATOM 685 N ALA A 46 27.227 27.653 5.404 1.00 25.00 N ATOM 686 CA ALA A 46 27.060 28.998 5.920 1.00 25.00 C ATOM 687 C ALA A 46 28.324 29.551 6.569 1.00 25.00 C ATOM 688 O ALA A 46 28.696 30.664 6.276 1.00 25.00 O ATOM 689 CB ALA A 46 25.939 29.033 6.894 1.00 25.00 C ATOM 0 H ALA A 46 26.655 26.944 5.862 1.00 25.00 H new ATOM 0 HA ALA A 46 26.837 29.636 5.065 1.00 25.00 H new ATOM 0 HB1 ALA A 46 25.821 30.047 7.276 1.00 25.00 H new ATOM 0 HB2 ALA A 46 25.018 28.722 6.400 1.00 25.00 H new ATOM 0 HB3 ALA A 46 26.154 28.356 7.721 1.00 25.00 H new ATOM 695 N GLU A 47 28.978 28.799 7.447 1.00 25.00 N ATOM 696 CA GLU A 47 30.173 29.309 8.145 1.00 25.00 C ATOM 697 C GLU A 47 31.264 29.703 7.151 1.00 25.00 C ATOM 698 O GLU A 47 32.016 30.657 7.371 1.00 25.00 O ATOM 699 CB GLU A 47 30.717 28.302 9.171 1.00 25.00 C ATOM 700 CG GLU A 47 31.277 27.019 8.577 1.00 25.00 C ATOM 701 CD GLU A 47 31.899 26.118 9.623 1.00 25.00 C ATOM 702 OE1 GLU A 47 33.017 26.440 10.086 1.00 25.00 O ATOM 703 OE2 GLU A 47 31.297 25.075 9.956 1.00 25.00 O ATOM 0 H GLU A 47 28.713 27.846 7.696 1.00 25.00 H new ATOM 0 HA GLU A 47 29.864 30.200 8.692 1.00 25.00 H new ATOM 0 HB2 GLU A 47 31.500 28.787 9.754 1.00 25.00 H new ATOM 0 HB3 GLU A 47 29.917 28.044 9.865 1.00 25.00 H new ATOM 0 HG2 GLU A 47 30.479 26.480 8.067 1.00 25.00 H new ATOM 0 HG3 GLU A 47 32.026 27.267 7.825 1.00 25.00 H new ATOM 710 N ALA A 48 31.315 29.003 6.027 1.00 25.00 N ATOM 711 CA ALA A 48 32.250 29.319 4.977 1.00 25.00 C ATOM 712 C ALA A 48 31.939 30.681 4.360 1.00 25.00 C ATOM 713 O ALA A 48 32.837 31.469 4.083 1.00 25.00 O ATOM 714 CB ALA A 48 32.195 28.237 3.935 1.00 25.00 C ATOM 0 H ALA A 48 30.710 28.207 5.826 1.00 25.00 H new ATOM 0 HA ALA A 48 33.256 29.372 5.394 1.00 25.00 H new ATOM 0 HB1 ALA A 48 32.899 28.466 3.135 1.00 25.00 H new ATOM 0 HB2 ALA A 48 32.459 27.282 4.388 1.00 25.00 H new ATOM 0 HB3 ALA A 48 31.187 28.178 3.525 1.00 25.00 H new ATOM 720 N LEU A 49 30.655 30.963 4.191 1.00 25.00 N ATOM 721 CA LEU A 49 30.210 32.243 3.663 1.00 25.00 C ATOM 722 C LEU A 49 30.540 33.357 4.653 1.00 25.00 C ATOM 723 O LEU A 49 30.962 34.438 4.261 1.00 25.00 O ATOM 724 CB LEU A 49 28.693 32.209 3.447 1.00 25.00 C ATOM 725 CG LEU A 49 28.088 33.464 2.818 1.00 25.00 C ATOM 726 CD1 LEU A 49 28.290 33.432 1.318 1.00 25.00 C ATOM 727 CD2 LEU A 49 26.611 33.547 3.173 1.00 25.00 C ATOM 0 H LEU A 49 29.898 30.316 4.414 1.00 25.00 H new ATOM 0 HA LEU A 49 30.718 32.430 2.717 1.00 25.00 H new ATOM 0 HB2 LEU A 49 28.453 31.355 2.814 1.00 25.00 H new ATOM 0 HB3 LEU A 49 28.211 32.038 4.409 1.00 25.00 H new ATOM 0 HG LEU A 49 28.586 34.352 3.208 1.00 25.00 H new ATOM 0 HD11 LEU A 49 27.857 34.328 0.873 1.00 25.00 H new ATOM 0 HD12 LEU A 49 29.356 33.395 1.095 1.00 25.00 H new ATOM 0 HD13 LEU A 49 27.802 32.550 0.904 1.00 25.00 H new ATOM 0 HD21 LEU A 49 26.179 34.442 2.725 1.00 25.00 H new ATOM 0 HD22 LEU A 49 26.095 32.665 2.793 1.00 25.00 H new ATOM 0 HD23 LEU A 49 26.499 33.594 4.256 1.00 25.00 H new ATOM 739 N LEU A 50 30.339 33.083 5.938 1.00 25.00 N ATOM 740 CA LEU A 50 30.548 34.093 6.985 1.00 25.00 C ATOM 741 C LEU A 50 32.009 34.494 7.058 1.00 25.00 C ATOM 742 O LEU A 50 32.341 35.621 7.398 1.00 25.00 O ATOM 743 CB LEU A 50 30.132 33.568 8.371 1.00 25.00 C ATOM 744 CG LEU A 50 28.756 32.911 8.559 1.00 25.00 C ATOM 745 CD1 LEU A 50 28.462 32.745 10.034 1.00 25.00 C ATOM 746 CD2 LEU A 50 27.620 33.639 7.851 1.00 25.00 C ATOM 0 H LEU A 50 30.032 32.174 6.285 1.00 25.00 H new ATOM 0 HA LEU A 50 29.930 34.951 6.720 1.00 25.00 H new ATOM 0 HB2 LEU A 50 30.884 32.843 8.683 1.00 25.00 H new ATOM 0 HB3 LEU A 50 30.190 34.405 9.066 1.00 25.00 H new ATOM 0 HG LEU A 50 28.810 31.932 8.082 1.00 25.00 H new ATOM 0 HD11 LEU A 50 27.485 32.279 10.160 1.00 25.00 H new ATOM 0 HD12 LEU A 50 29.226 32.115 10.489 1.00 25.00 H new ATOM 0 HD13 LEU A 50 28.463 33.722 10.517 1.00 25.00 H new ATOM 0 HD21 LEU A 50 26.682 33.113 8.032 1.00 25.00 H new ATOM 0 HD22 LEU A 50 27.545 34.657 8.234 1.00 25.00 H new ATOM 0 HD23 LEU A 50 27.819 33.668 6.780 1.00 25.00 H new ATOM 758 N SER A 51 32.878 33.547 6.744 1.00 25.00 N ATOM 759 CA SER A 51 34.306 33.769 6.765 1.00 25.00 C ATOM 760 C SER A 51 34.767 34.614 5.579 1.00 25.00 C ATOM 761 O SER A 51 35.843 35.193 5.608 1.00 25.00 O ATOM 762 CB SER A 51 34.998 32.426 6.696 1.00 25.00 C ATOM 763 OG SER A 51 34.616 31.579 7.772 1.00 25.00 O ATOM 0 H SER A 51 32.608 32.603 6.468 1.00 25.00 H new ATOM 0 HA SER A 51 34.556 34.304 7.681 1.00 25.00 H new ATOM 0 HB2 SER A 51 34.758 31.942 5.749 1.00 25.00 H new ATOM 0 HB3 SER A 51 36.078 32.572 6.714 1.00 25.00 H new ATOM 0 HG SER A 51 33.701 31.259 7.627 1.00 25.00 H new ATOM 769 N GLY A 52 33.972 34.639 4.517 1.00 25.00 N ATOM 770 CA GLY A 52 34.319 35.392 3.320 1.00 25.00 C ATOM 771 C GLY A 52 35.175 34.606 2.345 1.00 25.00 C ATOM 772 O GLY A 52 35.087 34.814 1.132 1.00 25.00 O ATOM 0 H GLY A 52 33.081 34.145 4.461 1.00 25.00 H new ATOM 0 HA2 GLY A 52 33.404 35.706 2.818 1.00 25.00 H new ATOM 0 HA3 GLY A 52 34.850 36.298 3.610 1.00 25.00 H new ATOM 776 N ASP A 53 35.988 33.696 2.875 1.00 25.00 N ATOM 777 CA ASP A 53 36.881 32.855 2.073 1.00 25.00 C ATOM 778 C ASP A 53 36.143 32.063 1.018 1.00 25.00 C ATOM 779 O ASP A 53 35.400 31.121 1.288 1.00 25.00 O ATOM 780 CB ASP A 53 37.724 31.955 2.955 1.00 25.00 C ATOM 781 CG ASP A 53 39.139 32.455 3.090 1.00 25.00 C ATOM 782 OD1 ASP A 53 39.619 32.563 4.234 1.00 25.00 O ATOM 783 OD2 ASP A 53 39.753 32.782 2.049 1.00 25.00 O ATOM 0 H ASP A 53 36.048 33.518 3.878 1.00 25.00 H new ATOM 0 HA ASP A 53 37.552 33.528 1.539 1.00 25.00 H new ATOM 0 HB2 ASP A 53 37.269 31.887 3.943 1.00 25.00 H new ATOM 0 HB3 ASP A 53 37.734 30.948 2.539 1.00 25.00 H new ATOM 788 N LEU A 54 36.340 32.474 -0.220 1.00 25.00 N ATOM 789 CA LEU A 54 35.695 31.813 -1.336 1.00 25.00 C ATOM 790 C LEU A 54 36.268 30.420 -1.469 1.00 25.00 C ATOM 791 O LEU A 54 35.564 29.500 -1.825 1.00 25.00 O ATOM 792 CB LEU A 54 35.908 32.616 -2.608 1.00 25.00 C ATOM 793 CG LEU A 54 35.269 32.133 -3.921 1.00 25.00 C ATOM 794 CD1 LEU A 54 36.222 31.284 -4.755 1.00 25.00 C ATOM 795 CD2 LEU A 54 33.874 31.434 -3.770 1.00 25.00 C ATOM 0 H LEU A 54 36.939 33.259 -0.477 1.00 25.00 H new ATOM 0 HA LEU A 54 34.621 31.742 -1.164 1.00 25.00 H new ATOM 0 HB2 LEU A 54 35.547 33.627 -2.421 1.00 25.00 H new ATOM 0 HB3 LEU A 54 36.983 32.687 -2.774 1.00 25.00 H new ATOM 0 HG LEU A 54 35.067 33.057 -4.462 1.00 25.00 H new ATOM 0 HD11 LEU A 54 35.722 30.969 -5.671 1.00 25.00 H new ATOM 0 HD12 LEU A 54 37.106 31.870 -5.007 1.00 25.00 H new ATOM 0 HD13 LEU A 54 36.521 30.405 -4.184 1.00 25.00 H new ATOM 0 HD21 LEU A 54 33.510 31.132 -4.752 1.00 25.00 H new ATOM 0 HD22 LEU A 54 33.975 30.555 -3.134 1.00 25.00 H new ATOM 0 HD23 LEU A 54 33.166 32.129 -3.319 1.00 25.00 H new ATOM 807 N GLU A 55 37.532 30.249 -1.132 1.00 25.00 N ATOM 808 CA GLU A 55 38.129 28.911 -1.151 1.00 25.00 C ATOM 809 C GLU A 55 37.349 27.916 -0.275 1.00 25.00 C ATOM 810 O GLU A 55 36.991 26.831 -0.737 1.00 25.00 O ATOM 811 CB GLU A 55 39.602 28.934 -0.806 1.00 25.00 C ATOM 812 CG GLU A 55 39.955 29.363 0.568 1.00 25.00 C ATOM 813 CD GLU A 55 39.958 28.220 1.602 1.00 25.00 C ATOM 814 OE1 GLU A 55 40.086 27.035 1.217 1.00 25.00 O ATOM 815 OE2 GLU A 55 39.734 28.515 2.793 1.00 25.00 O ATOM 0 H GLU A 55 38.162 30.999 -0.846 1.00 25.00 H new ATOM 0 HA GLU A 55 38.054 28.554 -2.178 1.00 25.00 H new ATOM 0 HB2 GLU A 55 40.005 27.934 -0.965 1.00 25.00 H new ATOM 0 HB3 GLU A 55 40.106 29.596 -1.510 1.00 25.00 H new ATOM 0 HG2 GLU A 55 40.942 29.826 0.551 1.00 25.00 H new ATOM 0 HG3 GLU A 55 39.250 30.129 0.891 1.00 25.00 H new ATOM 822 N LYS A 56 37.013 28.300 0.952 1.00 25.00 N ATOM 823 CA LYS A 56 36.289 27.411 1.846 1.00 25.00 C ATOM 824 C LYS A 56 34.856 27.323 1.408 1.00 25.00 C ATOM 825 O LYS A 56 34.278 26.253 1.469 1.00 25.00 O ATOM 826 CB LYS A 56 36.442 27.818 3.329 1.00 25.00 C ATOM 827 CG LYS A 56 35.845 29.088 3.784 1.00 25.00 C ATOM 828 CD LYS A 56 36.431 29.482 5.143 1.00 25.00 C ATOM 829 CE LYS A 56 35.899 28.639 6.306 1.00 25.00 C ATOM 830 NZ LYS A 56 36.398 29.159 7.623 1.00 25.00 N ATOM 0 H LYS A 56 37.230 29.215 1.346 1.00 25.00 H new ATOM 0 HA LYS A 56 36.726 26.414 1.781 1.00 25.00 H new ATOM 0 HB2 LYS A 56 36.018 27.018 3.936 1.00 25.00 H new ATOM 0 HB3 LYS A 56 37.508 27.856 3.552 1.00 25.00 H new ATOM 0 HG2 LYS A 56 36.039 29.873 3.053 1.00 25.00 H new ATOM 0 HG3 LYS A 56 34.763 28.984 3.861 1.00 25.00 H new ATOM 0 HD2 LYS A 56 37.516 29.387 5.103 1.00 25.00 H new ATOM 0 HD3 LYS A 56 36.209 30.532 5.335 1.00 25.00 H new ATOM 0 HE2 LYS A 56 34.809 28.648 6.297 1.00 25.00 H new ATOM 0 HE3 LYS A 56 36.210 27.602 6.180 1.00 25.00 H new ATOM 0 HZ1 LYS A 56 36.227 28.449 8.364 1.00 25.00 H new ATOM 0 HZ2 LYS A 56 37.418 29.351 7.556 1.00 25.00 H new ATOM 0 HZ3 LYS A 56 35.895 30.037 7.862 1.00 25.00 H new ATOM 844 N PHE A 57 34.304 28.410 0.886 1.00 25.00 N ATOM 845 CA PHE A 57 32.942 28.381 0.364 1.00 25.00 C ATOM 846 C PHE A 57 32.830 27.402 -0.798 1.00 25.00 C ATOM 847 O PHE A 57 31.997 26.526 -0.773 1.00 25.00 O ATOM 848 CB PHE A 57 32.489 29.775 -0.065 1.00 25.00 C ATOM 849 CG PHE A 57 31.066 29.814 -0.530 1.00 25.00 C ATOM 850 CD1 PHE A 57 30.757 29.711 -1.901 1.00 25.00 C ATOM 851 CD2 PHE A 57 30.019 29.932 0.399 1.00 25.00 C ATOM 852 CE1 PHE A 57 29.411 29.721 -2.337 1.00 25.00 C ATOM 853 CE2 PHE A 57 28.672 29.943 -0.027 1.00 25.00 C ATOM 854 CZ PHE A 57 28.373 29.830 -1.398 1.00 25.00 C ATOM 0 H PHE A 57 34.771 29.314 0.812 1.00 25.00 H new ATOM 0 HA PHE A 57 32.284 28.042 1.165 1.00 25.00 H new ATOM 0 HB2 PHE A 57 32.610 30.463 0.771 1.00 25.00 H new ATOM 0 HB3 PHE A 57 33.137 30.130 -0.867 1.00 25.00 H new ATOM 0 HD1 PHE A 57 31.554 29.624 -2.625 1.00 25.00 H new ATOM 0 HD2 PHE A 57 30.246 30.015 1.451 1.00 25.00 H new ATOM 0 HE1 PHE A 57 29.183 29.645 -3.390 1.00 25.00 H new ATOM 0 HE2 PHE A 57 27.875 30.038 0.696 1.00 25.00 H new ATOM 0 HZ PHE A 57 27.345 29.827 -1.728 1.00 25.00 H new ATOM 864 N SER A 58 33.703 27.517 -1.784 1.00 25.00 N ATOM 865 CA SER A 58 33.718 26.614 -2.933 1.00 25.00 C ATOM 866 C SER A 58 33.992 25.173 -2.522 1.00 25.00 C ATOM 867 O SER A 58 33.408 24.237 -3.070 1.00 25.00 O ATOM 868 CB SER A 58 34.808 27.054 -3.914 1.00 25.00 C ATOM 869 OG SER A 58 34.791 26.255 -5.084 1.00 25.00 O ATOM 0 H SER A 58 34.424 28.238 -1.815 1.00 25.00 H new ATOM 0 HA SER A 58 32.733 26.659 -3.397 1.00 25.00 H new ATOM 0 HB2 SER A 58 34.660 28.100 -4.182 1.00 25.00 H new ATOM 0 HB3 SER A 58 35.784 26.982 -3.435 1.00 25.00 H new ATOM 0 HG SER A 58 35.495 26.556 -5.696 1.00 25.00 H new ATOM 875 N ARG A 59 34.888 24.986 -1.568 1.00 25.00 N ATOM 876 CA ARG A 59 35.243 23.640 -1.124 1.00 25.00 C ATOM 877 C ARG A 59 34.059 22.989 -0.444 1.00 25.00 C ATOM 878 O ARG A 59 33.702 21.859 -0.750 1.00 25.00 O ATOM 879 CB ARG A 59 36.420 23.690 -0.149 1.00 25.00 C ATOM 880 CG ARG A 59 36.743 22.335 0.457 1.00 25.00 C ATOM 881 CD ARG A 59 37.826 22.424 1.495 1.00 25.00 C ATOM 882 NE ARG A 59 37.804 21.208 2.315 1.00 25.00 N ATOM 883 CZ ARG A 59 38.619 20.930 3.320 1.00 25.00 C ATOM 884 NH1 ARG A 59 39.586 21.734 3.689 1.00 25.00 N ATOM 885 NH2 ARG A 59 38.438 19.812 3.963 1.00 25.00 N ATOM 0 H ARG A 59 35.381 25.738 -1.087 1.00 25.00 H new ATOM 0 HA ARG A 59 35.529 23.055 -1.998 1.00 25.00 H new ATOM 0 HB2 ARG A 59 37.300 24.069 -0.669 1.00 25.00 H new ATOM 0 HB3 ARG A 59 36.193 24.395 0.651 1.00 25.00 H new ATOM 0 HG2 ARG A 59 35.843 21.916 0.907 1.00 25.00 H new ATOM 0 HG3 ARG A 59 37.053 21.650 -0.332 1.00 25.00 H new ATOM 0 HD2 ARG A 59 38.798 22.537 1.016 1.00 25.00 H new ATOM 0 HD3 ARG A 59 37.675 23.303 2.122 1.00 25.00 H new ATOM 0 HE ARG A 59 37.094 20.511 2.089 1.00 25.00 H new ATOM 0 HH11 ARG A 59 39.734 22.614 3.195 1.00 25.00 H new ATOM 0 HH12 ARG A 59 40.191 21.479 4.470 1.00 25.00 H new ATOM 0 HH21 ARG A 59 37.686 19.181 3.687 1.00 25.00 H new ATOM 0 HH22 ARG A 59 39.049 19.567 4.743 1.00 25.00 H new ATOM 899 N VAL A 60 33.447 23.687 0.491 1.00 25.00 N ATOM 900 CA VAL A 60 32.356 23.100 1.241 1.00 25.00 C ATOM 901 C VAL A 60 31.163 22.954 0.299 1.00 25.00 C ATOM 902 O VAL A 60 30.393 22.022 0.432 1.00 25.00 O ATOM 903 CB VAL A 60 32.055 23.878 2.562 1.00 25.00 C ATOM 904 CG1 VAL A 60 31.400 25.152 2.311 1.00 25.00 C ATOM 905 CG2 VAL A 60 31.222 23.015 3.516 1.00 25.00 C ATOM 0 H VAL A 60 33.681 24.646 0.747 1.00 25.00 H new ATOM 0 HA VAL A 60 32.627 22.106 1.597 1.00 25.00 H new ATOM 0 HB VAL A 60 33.012 24.099 3.035 1.00 25.00 H new ATOM 0 HG11 VAL A 60 31.211 25.657 3.258 1.00 25.00 H new ATOM 0 HG12 VAL A 60 32.043 25.776 1.690 1.00 25.00 H new ATOM 0 HG13 VAL A 60 30.455 24.980 1.796 1.00 25.00 H new ATOM 0 HG21 VAL A 60 31.022 23.573 4.431 1.00 25.00 H new ATOM 0 HG22 VAL A 60 30.278 22.751 3.038 1.00 25.00 H new ATOM 0 HG23 VAL A 60 31.772 22.106 3.759 1.00 25.00 H new ATOM 915 N LEU A 61 31.039 23.836 -0.686 1.00 25.00 N ATOM 916 CA LEU A 61 29.978 23.736 -1.689 1.00 25.00 C ATOM 917 C LEU A 61 30.048 22.400 -2.427 1.00 25.00 C ATOM 918 O LEU A 61 29.030 21.733 -2.602 1.00 25.00 O ATOM 919 CB LEU A 61 30.100 24.883 -2.704 1.00 25.00 C ATOM 920 CG LEU A 61 28.898 25.115 -3.634 1.00 25.00 C ATOM 921 CD1 LEU A 61 28.079 26.268 -3.118 1.00 25.00 C ATOM 922 CD2 LEU A 61 29.309 25.450 -5.061 1.00 25.00 C ATOM 0 H LEU A 61 31.662 24.633 -0.814 1.00 25.00 H new ATOM 0 HA LEU A 61 29.020 23.803 -1.173 1.00 25.00 H new ATOM 0 HB2 LEU A 61 30.287 25.805 -2.154 1.00 25.00 H new ATOM 0 HB3 LEU A 61 30.978 24.697 -3.323 1.00 25.00 H new ATOM 0 HG LEU A 61 28.332 24.184 -3.645 1.00 25.00 H new ATOM 0 HD11 LEU A 61 27.227 26.433 -3.777 1.00 25.00 H new ATOM 0 HD12 LEU A 61 27.722 26.040 -2.114 1.00 25.00 H new ATOM 0 HD13 LEU A 61 28.694 27.167 -3.089 1.00 25.00 H new ATOM 0 HD21 LEU A 61 28.418 25.603 -5.670 1.00 25.00 H new ATOM 0 HD22 LEU A 61 29.910 26.359 -5.063 1.00 25.00 H new ATOM 0 HD23 LEU A 61 29.894 24.628 -5.474 1.00 25.00 H new ATOM 934 N VAL A 62 31.236 21.993 -2.858 1.00 25.00 N ATOM 935 CA VAL A 62 31.365 20.725 -3.584 1.00 25.00 C ATOM 936 C VAL A 62 31.302 19.530 -2.629 1.00 25.00 C ATOM 937 O VAL A 62 30.692 18.518 -2.947 1.00 25.00 O ATOM 938 CB VAL A 62 32.639 20.684 -4.499 1.00 25.00 C ATOM 939 CG1 VAL A 62 33.950 20.691 -3.709 1.00 25.00 C ATOM 940 CG2 VAL A 62 32.591 19.464 -5.415 1.00 25.00 C ATOM 0 H VAL A 62 32.108 22.505 -2.724 1.00 25.00 H new ATOM 0 HA VAL A 62 30.509 20.653 -4.255 1.00 25.00 H new ATOM 0 HB VAL A 62 32.623 21.598 -5.093 1.00 25.00 H new ATOM 0 HG11 VAL A 62 34.792 20.661 -4.401 1.00 25.00 H new ATOM 0 HG12 VAL A 62 34.007 21.598 -3.107 1.00 25.00 H new ATOM 0 HG13 VAL A 62 33.986 19.819 -3.056 1.00 25.00 H new ATOM 0 HG21 VAL A 62 33.480 19.447 -6.045 1.00 25.00 H new ATOM 0 HG22 VAL A 62 32.556 18.557 -4.811 1.00 25.00 H new ATOM 0 HG23 VAL A 62 31.702 19.516 -6.044 1.00 25.00 H new ATOM 950 N GLU A 63 31.858 19.658 -1.435 1.00 25.00 N ATOM 951 CA GLU A 63 31.771 18.574 -0.445 1.00 25.00 C ATOM 952 C GLU A 63 30.308 18.339 -0.042 1.00 25.00 C ATOM 953 O GLU A 63 29.868 17.200 0.100 1.00 25.00 O ATOM 954 CB GLU A 63 32.623 18.868 0.797 1.00 25.00 C ATOM 955 CG GLU A 63 34.138 18.736 0.551 1.00 25.00 C ATOM 956 CD GLU A 63 34.920 18.484 1.835 1.00 25.00 C ATOM 957 OE1 GLU A 63 34.669 17.460 2.498 1.00 25.00 O ATOM 958 OE2 GLU A 63 35.820 19.291 2.157 1.00 25.00 O ATOM 0 H GLU A 63 32.368 20.484 -1.122 1.00 25.00 H new ATOM 0 HA GLU A 63 32.165 17.670 -0.909 1.00 25.00 H new ATOM 0 HB2 GLU A 63 32.407 19.878 1.145 1.00 25.00 H new ATOM 0 HB3 GLU A 63 32.332 18.186 1.596 1.00 25.00 H new ATOM 0 HG2 GLU A 63 34.319 17.919 -0.147 1.00 25.00 H new ATOM 0 HG3 GLU A 63 34.506 19.646 0.078 1.00 25.00 H new ATOM 965 N GLN A 64 29.530 19.407 0.058 1.00 25.00 N ATOM 966 CA GLN A 64 28.097 19.295 0.328 1.00 25.00 C ATOM 967 C GLN A 64 27.399 18.562 -0.805 1.00 25.00 C ATOM 968 O GLN A 64 26.510 17.765 -0.569 1.00 25.00 O ATOM 969 CB GLN A 64 27.465 20.681 0.484 1.00 25.00 C ATOM 970 CG GLN A 64 27.617 21.267 1.881 1.00 25.00 C ATOM 971 CD GLN A 64 26.704 20.596 2.875 1.00 25.00 C ATOM 972 OE1 GLN A 64 25.501 20.517 2.663 1.00 25.00 O ATOM 973 NE2 GLN A 64 27.259 20.111 3.954 1.00 25.00 N ATOM 0 H GLN A 64 29.865 20.365 -0.044 1.00 25.00 H new ATOM 0 HA GLN A 64 27.976 18.736 1.256 1.00 25.00 H new ATOM 0 HB2 GLN A 64 27.918 21.361 -0.237 1.00 25.00 H new ATOM 0 HB3 GLN A 64 26.405 20.617 0.239 1.00 25.00 H new ATOM 0 HG2 GLN A 64 28.651 21.161 2.209 1.00 25.00 H new ATOM 0 HG3 GLN A 64 27.400 22.335 1.852 1.00 25.00 H new ATOM 0 HE21 GLN A 64 28.266 20.198 4.093 1.00 25.00 H new ATOM 0 HE22 GLN A 64 26.685 19.646 4.658 1.00 25.00 H new ATOM 982 N GLN A 65 27.801 18.815 -2.040 1.00 25.00 N ATOM 983 CA GLN A 65 27.191 18.128 -3.180 1.00 25.00 C ATOM 984 C GLN A 65 27.577 16.645 -3.194 1.00 25.00 C ATOM 985 O GLN A 65 26.760 15.797 -3.542 1.00 25.00 O ATOM 986 CB GLN A 65 27.572 18.817 -4.490 1.00 25.00 C ATOM 987 CG GLN A 65 26.906 20.187 -4.639 1.00 25.00 C ATOM 988 CD GLN A 65 27.355 20.926 -5.876 1.00 25.00 C ATOM 989 OE1 GLN A 65 26.860 20.689 -6.958 1.00 25.00 O ATOM 990 NE2 GLN A 65 28.273 21.842 -5.712 1.00 25.00 N ATOM 0 H GLN A 65 28.536 19.480 -2.283 1.00 25.00 H new ATOM 0 HA GLN A 65 26.107 18.184 -3.077 1.00 25.00 H new ATOM 0 HB2 GLN A 65 28.655 18.935 -4.535 1.00 25.00 H new ATOM 0 HB3 GLN A 65 27.285 18.183 -5.329 1.00 25.00 H new ATOM 0 HG2 GLN A 65 25.824 20.058 -4.671 1.00 25.00 H new ATOM 0 HG3 GLN A 65 27.129 20.791 -3.760 1.00 25.00 H new ATOM 0 HE21 GLN A 65 28.665 22.011 -4.786 1.00 25.00 H new ATOM 0 HE22 GLN A 65 28.598 22.387 -6.510 1.00 25.00 H new ATOM 999 N GLN A 66 28.775 16.316 -2.729 1.00 25.00 N ATOM 1000 CA GLN A 66 29.172 14.909 -2.602 1.00 25.00 C ATOM 1001 C GLN A 66 28.309 14.222 -1.545 1.00 25.00 C ATOM 1002 O GLN A 66 27.909 13.078 -1.711 1.00 25.00 O ATOM 1003 CB GLN A 66 30.643 14.778 -2.201 1.00 25.00 C ATOM 1004 CG GLN A 66 31.627 15.209 -3.271 1.00 25.00 C ATOM 1005 CD GLN A 66 33.055 15.087 -2.793 1.00 25.00 C ATOM 1006 OE1 GLN A 66 33.492 14.021 -2.388 1.00 25.00 O ATOM 1007 NE2 GLN A 66 33.776 16.176 -2.813 1.00 25.00 N ATOM 0 H GLN A 66 29.484 16.989 -2.436 1.00 25.00 H new ATOM 0 HA GLN A 66 29.031 14.435 -3.573 1.00 25.00 H new ATOM 0 HB2 GLN A 66 30.817 15.373 -1.305 1.00 25.00 H new ATOM 0 HB3 GLN A 66 30.844 13.739 -1.938 1.00 25.00 H new ATOM 0 HG2 GLN A 66 31.487 14.598 -4.162 1.00 25.00 H new ATOM 0 HG3 GLN A 66 31.425 16.241 -3.558 1.00 25.00 H new ATOM 0 HE21 GLN A 66 33.374 17.047 -3.159 1.00 25.00 H new ATOM 0 HE22 GLN A 66 34.741 16.155 -2.483 1.00 25.00 H new ATOM 1016 N ASP A 67 28.011 14.924 -0.460 1.00 25.00 N ATOM 1017 CA ASP A 67 27.153 14.368 0.590 1.00 25.00 C ATOM 1018 C ASP A 67 25.727 14.216 0.102 1.00 25.00 C ATOM 1019 O ASP A 67 25.045 13.236 0.409 1.00 25.00 O ATOM 1020 CB ASP A 67 27.123 15.269 1.808 1.00 25.00 C ATOM 1021 CG ASP A 67 26.312 14.666 2.933 1.00 25.00 C ATOM 1022 OD1 ASP A 67 26.757 13.661 3.518 1.00 25.00 O ATOM 1023 OD2 ASP A 67 25.181 15.143 3.171 1.00 25.00 O ATOM 0 H ASP A 67 28.345 15.871 -0.280 1.00 25.00 H new ATOM 0 HA ASP A 67 27.571 13.396 0.851 1.00 25.00 H new ATOM 0 HB2 ASP A 67 28.142 15.450 2.151 1.00 25.00 H new ATOM 0 HB3 ASP A 67 26.702 16.236 1.534 1.00 25.00 H new ATOM 1028 N ARG A 68 25.283 15.184 -0.683 1.00 25.00 N ATOM 1029 CA ARG A 68 23.937 15.144 -1.247 1.00 25.00 C ATOM 1030 C ARG A 68 23.765 13.888 -2.071 1.00 25.00 C ATOM 1031 O ARG A 68 22.759 13.229 -1.938 1.00 25.00 O ATOM 1032 CB ARG A 68 23.640 16.373 -2.106 1.00 25.00 C ATOM 1033 CG ARG A 68 23.308 17.613 -1.296 1.00 25.00 C ATOM 1034 CD ARG A 68 23.176 18.823 -2.200 1.00 25.00 C ATOM 1035 NE ARG A 68 22.999 20.058 -1.419 1.00 25.00 N ATOM 1036 CZ ARG A 68 22.795 21.265 -1.934 1.00 25.00 C ATOM 1037 NH1 ARG A 68 22.720 21.474 -3.227 1.00 25.00 N ATOM 1038 NH2 ARG A 68 22.665 22.283 -1.130 1.00 25.00 N ATOM 0 H ARG A 68 25.829 16.005 -0.945 1.00 25.00 H new ATOM 0 HA ARG A 68 23.230 15.143 -0.417 1.00 25.00 H new ATOM 0 HB2 ARG A 68 24.503 16.582 -2.738 1.00 25.00 H new ATOM 0 HB3 ARG A 68 22.806 16.149 -2.771 1.00 25.00 H new ATOM 0 HG2 ARG A 68 22.378 17.458 -0.749 1.00 25.00 H new ATOM 0 HG3 ARG A 68 24.088 17.789 -0.555 1.00 25.00 H new ATOM 0 HD2 ARG A 68 24.064 18.910 -2.826 1.00 25.00 H new ATOM 0 HD3 ARG A 68 22.326 18.689 -2.869 1.00 25.00 H new ATOM 0 HE ARG A 68 23.036 19.981 -0.403 1.00 25.00 H new ATOM 0 HH11 ARG A 68 22.819 20.694 -3.876 1.00 25.00 H new ATOM 0 HH12 ARG A 68 22.562 22.417 -3.583 1.00 25.00 H new ATOM 0 HH21 ARG A 68 22.720 22.146 -0.121 1.00 25.00 H new ATOM 0 HH22 ARG A 68 22.508 23.216 -1.510 1.00 25.00 H new ATOM 1052 N ALA A 69 24.765 13.519 -2.856 1.00 25.00 N ATOM 1053 CA ALA A 69 24.693 12.306 -3.675 1.00 25.00 C ATOM 1054 C ALA A 69 24.501 11.028 -2.833 1.00 25.00 C ATOM 1055 O ALA A 69 23.872 10.069 -3.280 1.00 25.00 O ATOM 1056 CB ALA A 69 25.956 12.192 -4.537 1.00 25.00 C ATOM 0 H ALA A 69 25.638 14.038 -2.947 1.00 25.00 H new ATOM 0 HA ALA A 69 23.813 12.394 -4.313 1.00 25.00 H new ATOM 0 HB1 ALA A 69 25.901 11.289 -5.146 1.00 25.00 H new ATOM 0 HB2 ALA A 69 26.033 13.064 -5.187 1.00 25.00 H new ATOM 0 HB3 ALA A 69 26.833 12.142 -3.892 1.00 25.00 H new ATOM 1062 N ARG A 70 25.029 11.015 -1.614 1.00 25.00 N ATOM 1063 CA ARG A 70 24.887 9.845 -0.730 1.00 25.00 C ATOM 1064 C ARG A 70 23.438 9.695 -0.276 1.00 25.00 C ATOM 1065 O ARG A 70 22.857 8.623 -0.362 1.00 25.00 O ATOM 1066 CB ARG A 70 25.785 9.986 0.509 1.00 25.00 C ATOM 1067 CG ARG A 70 27.259 10.210 0.195 1.00 25.00 C ATOM 1068 CD ARG A 70 28.034 10.583 1.455 1.00 25.00 C ATOM 1069 NE ARG A 70 29.368 11.121 1.128 1.00 25.00 N ATOM 1070 CZ ARG A 70 30.476 10.405 0.968 1.00 25.00 C ATOM 1071 NH1 ARG A 70 30.498 9.101 1.103 1.00 25.00 N ATOM 1072 NH2 ARG A 70 31.587 11.019 0.668 1.00 25.00 N ATOM 0 H ARG A 70 25.556 11.790 -1.211 1.00 25.00 H new ATOM 0 HA ARG A 70 25.188 8.963 -1.294 1.00 25.00 H new ATOM 0 HB2 ARG A 70 25.424 10.819 1.112 1.00 25.00 H new ATOM 0 HB3 ARG A 70 25.688 9.087 1.117 1.00 25.00 H new ATOM 0 HG2 ARG A 70 27.683 9.306 -0.243 1.00 25.00 H new ATOM 0 HG3 ARG A 70 27.361 11.002 -0.547 1.00 25.00 H new ATOM 0 HD2 ARG A 70 27.471 11.323 2.024 1.00 25.00 H new ATOM 0 HD3 ARG A 70 28.140 9.705 2.092 1.00 25.00 H new ATOM 0 HE ARG A 70 29.447 12.132 1.015 1.00 25.00 H new ATOM 0 HH11 ARG A 70 29.643 8.598 1.340 1.00 25.00 H new ATOM 0 HH12 ARG A 70 31.370 8.589 0.971 1.00 25.00 H new ATOM 0 HH21 ARG A 70 31.596 12.033 0.560 1.00 25.00 H new ATOM 0 HH22 ARG A 70 32.447 10.485 0.542 1.00 25.00 H new ATOM 1086 N ARG A 71 22.865 10.788 0.210 1.00 25.00 N ATOM 1087 CA ARG A 71 21.482 10.791 0.715 1.00 25.00 C ATOM 1088 C ARG A 71 20.462 10.737 -0.408 1.00 25.00 C ATOM 1089 O ARG A 71 19.338 10.300 -0.224 1.00 25.00 O ATOM 1090 CB ARG A 71 21.234 11.998 1.618 1.00 25.00 C ATOM 1091 CG ARG A 71 21.436 13.360 0.980 1.00 25.00 C ATOM 1092 CD ARG A 71 21.211 14.492 1.983 1.00 25.00 C ATOM 1093 NE ARG A 71 22.286 14.572 2.994 1.00 25.00 N ATOM 1094 CZ ARG A 71 22.116 14.602 4.311 1.00 25.00 C ATOM 1095 NH1 ARG A 71 20.934 14.548 4.878 1.00 25.00 N ATOM 1096 NH2 ARG A 71 23.164 14.691 5.073 1.00 25.00 N ATOM 0 H ARG A 71 23.332 11.693 0.269 1.00 25.00 H new ATOM 0 HA ARG A 71 21.355 9.885 1.307 1.00 25.00 H new ATOM 0 HB2 ARG A 71 20.212 11.942 1.992 1.00 25.00 H new ATOM 0 HB3 ARG A 71 21.894 11.922 2.482 1.00 25.00 H new ATOM 0 HG2 ARG A 71 22.446 13.427 0.576 1.00 25.00 H new ATOM 0 HG3 ARG A 71 20.749 13.475 0.141 1.00 25.00 H new ATOM 0 HD2 ARG A 71 21.148 15.440 1.449 1.00 25.00 H new ATOM 0 HD3 ARG A 71 20.255 14.344 2.485 1.00 25.00 H new ATOM 0 HE ARG A 71 23.245 14.607 2.649 1.00 25.00 H new ATOM 0 HH11 ARG A 71 20.095 14.480 4.302 1.00 25.00 H new ATOM 0 HH12 ARG A 71 20.854 14.574 5.895 1.00 25.00 H new ATOM 0 HH21 ARG A 71 24.094 14.736 4.657 1.00 25.00 H new ATOM 0 HH22 ARG A 71 23.057 14.716 6.087 1.00 25.00 H new ATOM 1110 N GLU A 72 20.864 11.210 -1.567 1.00 25.00 N ATOM 1111 CA GLU A 72 20.022 11.216 -2.772 1.00 25.00 C ATOM 1112 C GLU A 72 19.470 9.829 -3.080 1.00 25.00 C ATOM 1113 O GLU A 72 18.330 9.699 -3.507 1.00 25.00 O ATOM 1114 CB GLU A 72 20.838 11.711 -3.967 1.00 25.00 C ATOM 1115 CG GLU A 72 20.064 11.891 -5.255 1.00 25.00 C ATOM 1116 CD GLU A 72 20.975 12.334 -6.389 1.00 25.00 C ATOM 1117 OE1 GLU A 72 21.877 13.167 -6.135 1.00 25.00 O ATOM 1118 OE2 GLU A 72 20.809 11.839 -7.520 1.00 25.00 O ATOM 0 H GLU A 72 21.791 11.608 -1.715 1.00 25.00 H new ATOM 0 HA GLU A 72 19.180 11.884 -2.587 1.00 25.00 H new ATOM 0 HB2 GLU A 72 21.296 12.664 -3.702 1.00 25.00 H new ATOM 0 HB3 GLU A 72 21.650 11.007 -4.147 1.00 25.00 H new ATOM 0 HG2 GLU A 72 19.576 10.954 -5.523 1.00 25.00 H new ATOM 0 HG3 GLU A 72 19.276 12.630 -5.108 1.00 25.00 H new ATOM 1125 N GLN A 73 20.250 8.795 -2.796 1.00 25.00 N ATOM 1126 CA GLN A 73 19.815 7.417 -3.029 1.00 25.00 C ATOM 1127 C GLN A 73 18.525 7.108 -2.254 1.00 25.00 C ATOM 1128 O GLN A 73 17.658 6.386 -2.727 1.00 25.00 O ATOM 1129 CB GLN A 73 20.926 6.445 -2.615 1.00 25.00 C ATOM 1130 CG GLN A 73 22.297 6.760 -3.238 1.00 25.00 C ATOM 1131 CD GLN A 73 22.249 6.885 -4.748 1.00 25.00 C ATOM 1132 OE1 GLN A 73 21.822 5.978 -5.443 1.00 25.00 O ATOM 1133 NE2 GLN A 73 22.689 8.008 -5.256 1.00 25.00 N ATOM 0 H GLN A 73 21.188 8.880 -2.404 1.00 25.00 H new ATOM 0 HA GLN A 73 19.608 7.296 -4.092 1.00 25.00 H new ATOM 0 HB2 GLN A 73 21.020 6.458 -1.529 1.00 25.00 H new ATOM 0 HB3 GLN A 73 20.634 5.434 -2.897 1.00 25.00 H new ATOM 0 HG2 GLN A 73 22.677 7.690 -2.814 1.00 25.00 H new ATOM 0 HG3 GLN A 73 23.002 5.974 -2.967 1.00 25.00 H new ATOM 0 HE21 GLN A 73 23.038 8.743 -4.642 1.00 25.00 H new ATOM 0 HE22 GLN A 73 22.682 8.148 -6.266 1.00 25.00 H new ATOM 1142 N GLU A 74 18.397 7.674 -1.065 1.00 25.00 N ATOM 1143 CA GLU A 74 17.158 7.581 -0.296 1.00 25.00 C ATOM 1144 C GLU A 74 16.105 8.575 -0.782 1.00 25.00 C ATOM 1145 O GLU A 74 14.918 8.291 -0.757 1.00 25.00 O ATOM 1146 CB GLU A 74 17.447 7.839 1.186 1.00 25.00 C ATOM 1147 CG GLU A 74 18.486 6.895 1.784 1.00 25.00 C ATOM 1148 CD GLU A 74 18.779 7.221 3.238 1.00 25.00 C ATOM 1149 OE1 GLU A 74 18.500 6.372 4.110 1.00 25.00 O ATOM 1150 OE2 GLU A 74 19.281 8.337 3.508 1.00 25.00 O ATOM 0 H GLU A 74 19.137 8.206 -0.606 1.00 25.00 H new ATOM 0 HA GLU A 74 16.762 6.575 -0.436 1.00 25.00 H new ATOM 0 HB2 GLU A 74 17.791 8.866 1.306 1.00 25.00 H new ATOM 0 HB3 GLU A 74 16.518 7.746 1.749 1.00 25.00 H new ATOM 0 HG2 GLU A 74 18.130 5.868 1.707 1.00 25.00 H new ATOM 0 HG3 GLU A 74 19.408 6.957 1.206 1.00 25.00 H new ATOM 1157 N ARG A 75 16.534 9.762 -1.191 1.00 25.00 N ATOM 1158 CA ARG A 75 15.593 10.827 -1.578 1.00 25.00 C ATOM 1159 C ARG A 75 14.771 10.510 -2.818 1.00 25.00 C ATOM 1160 O ARG A 75 13.634 10.966 -2.920 1.00 25.00 O ATOM 1161 CB ARG A 75 16.327 12.147 -1.809 1.00 25.00 C ATOM 1162 CG ARG A 75 16.956 12.734 -0.546 1.00 25.00 C ATOM 1163 CD ARG A 75 16.575 14.204 -0.382 1.00 25.00 C ATOM 1164 NE ARG A 75 15.134 14.359 -0.099 1.00 25.00 N ATOM 1165 CZ ARG A 75 14.476 15.515 -0.061 1.00 25.00 C ATOM 1166 NH1 ARG A 75 15.064 16.663 -0.289 1.00 25.00 N ATOM 1167 NH2 ARG A 75 13.200 15.512 0.212 1.00 25.00 N ATOM 0 H ARG A 75 17.518 10.019 -1.266 1.00 25.00 H new ATOM 0 HA ARG A 75 14.902 10.908 -0.739 1.00 25.00 H new ATOM 0 HB2 ARG A 75 17.108 11.992 -2.554 1.00 25.00 H new ATOM 0 HB3 ARG A 75 15.628 12.872 -2.226 1.00 25.00 H new ATOM 0 HG2 ARG A 75 16.626 12.169 0.326 1.00 25.00 H new ATOM 0 HG3 ARG A 75 18.041 12.638 -0.596 1.00 25.00 H new ATOM 0 HD2 ARG A 75 17.156 14.644 0.429 1.00 25.00 H new ATOM 0 HD3 ARG A 75 16.830 14.751 -1.290 1.00 25.00 H new ATOM 0 HE ARG A 75 14.599 13.510 0.082 1.00 25.00 H new ATOM 0 HH11 ARG A 75 16.060 16.692 -0.505 1.00 25.00 H new ATOM 0 HH12 ARG A 75 14.525 17.528 -0.251 1.00 25.00 H new ATOM 0 HH21 ARG A 75 12.719 14.631 0.393 1.00 25.00 H new ATOM 0 HH22 ARG A 75 12.683 16.391 0.244 1.00 25.00 H new ATOM 1181 N ILE A 76 15.312 9.721 -3.735 1.00 25.00 N ATOM 1182 CA ILE A 76 14.576 9.327 -4.949 1.00 25.00 C ATOM 1183 C ILE A 76 13.326 8.516 -4.615 1.00 25.00 C ATOM 1184 O ILE A 76 12.415 8.424 -5.430 1.00 25.00 O ATOM 1185 CB ILE A 76 15.460 8.575 -5.975 1.00 25.00 C ATOM 1186 CG1 ILE A 76 16.043 7.293 -5.360 1.00 25.00 C ATOM 1187 CG2 ILE A 76 16.574 9.509 -6.464 1.00 25.00 C ATOM 1188 CD1 ILE A 76 16.750 6.369 -6.357 1.00 25.00 C ATOM 0 H ILE A 76 16.255 9.337 -3.671 1.00 25.00 H new ATOM 0 HA ILE A 76 14.263 10.258 -5.422 1.00 25.00 H new ATOM 0 HB ILE A 76 14.848 8.277 -6.826 1.00 25.00 H new ATOM 0 HG12 ILE A 76 16.750 7.570 -4.578 1.00 25.00 H new ATOM 0 HG13 ILE A 76 15.237 6.738 -4.879 1.00 25.00 H new ATOM 0 HG21 ILE A 76 17.199 8.983 -7.186 1.00 25.00 H new ATOM 0 HG22 ILE A 76 16.132 10.386 -6.937 1.00 25.00 H new ATOM 0 HG23 ILE A 76 17.184 9.822 -5.617 1.00 25.00 H new ATOM 0 HD11 ILE A 76 17.129 5.491 -5.834 1.00 25.00 H new ATOM 0 HD12 ILE A 76 16.044 6.056 -7.127 1.00 25.00 H new ATOM 0 HD13 ILE A 76 17.580 6.901 -6.821 1.00 25.00 H new ATOM 1200 N ARG A 77 13.273 7.957 -3.407 1.00 25.00 N ATOM 1201 CA ARG A 77 12.064 7.278 -2.914 1.00 25.00 C ATOM 1202 C ARG A 77 10.808 8.145 -3.076 1.00 25.00 C ATOM 1203 O ARG A 77 9.725 7.605 -3.310 1.00 25.00 O ATOM 1204 CB ARG A 77 12.245 6.943 -1.431 1.00 25.00 C ATOM 1205 CG ARG A 77 11.087 6.208 -0.800 1.00 25.00 C ATOM 1206 CD ARG A 77 11.287 6.089 0.698 1.00 25.00 C ATOM 1207 NE ARG A 77 10.104 5.493 1.340 1.00 25.00 N ATOM 1208 CZ ARG A 77 9.905 4.195 1.539 1.00 25.00 C ATOM 1209 NH1 ARG A 77 10.779 3.285 1.180 1.00 25.00 N ATOM 1210 NH2 ARG A 77 8.802 3.806 2.112 1.00 25.00 N ATOM 0 H ARG A 77 14.051 7.958 -2.747 1.00 25.00 H new ATOM 0 HA ARG A 77 11.928 6.373 -3.506 1.00 25.00 H new ATOM 0 HB2 ARG A 77 13.145 6.339 -1.317 1.00 25.00 H new ATOM 0 HB3 ARG A 77 12.411 7.870 -0.882 1.00 25.00 H new ATOM 0 HG2 ARG A 77 10.157 6.736 -1.008 1.00 25.00 H new ATOM 0 HG3 ARG A 77 10.995 5.215 -1.241 1.00 25.00 H new ATOM 0 HD2 ARG A 77 12.165 5.477 0.904 1.00 25.00 H new ATOM 0 HD3 ARG A 77 11.479 7.074 1.123 1.00 25.00 H new ATOM 0 HE ARG A 77 9.375 6.131 1.659 1.00 25.00 H new ATOM 0 HH11 ARG A 77 11.650 3.564 0.730 1.00 25.00 H new ATOM 0 HH12 ARG A 77 10.587 2.298 1.351 1.00 25.00 H new ATOM 0 HH21 ARG A 77 8.107 4.494 2.400 1.00 25.00 H new ATOM 0 HH22 ARG A 77 8.633 2.813 2.272 1.00 25.00 H new ATOM 1224 N LEU A 78 10.979 9.464 -2.957 1.00 25.00 N ATOM 1225 CA LEU A 78 9.928 10.493 -3.102 1.00 25.00 C ATOM 1226 C LEU A 78 8.758 10.460 -2.104 1.00 25.00 C ATOM 1227 O LEU A 78 8.446 11.469 -1.479 1.00 25.00 O ATOM 1228 CB LEU A 78 9.399 10.461 -4.540 1.00 25.00 C ATOM 1229 CG LEU A 78 8.238 11.404 -4.906 1.00 25.00 C ATOM 1230 CD1 LEU A 78 8.619 12.873 -4.749 1.00 25.00 C ATOM 1231 CD2 LEU A 78 7.804 11.130 -6.344 1.00 25.00 C ATOM 0 H LEU A 78 11.891 9.869 -2.748 1.00 25.00 H new ATOM 0 HA LEU A 78 10.429 11.430 -2.859 1.00 25.00 H new ATOM 0 HB2 LEU A 78 10.232 10.683 -5.207 1.00 25.00 H new ATOM 0 HB3 LEU A 78 9.081 9.441 -4.756 1.00 25.00 H new ATOM 0 HG LEU A 78 7.415 11.208 -4.218 1.00 25.00 H new ATOM 0 HD11 LEU A 78 7.769 13.500 -5.018 1.00 25.00 H new ATOM 0 HD12 LEU A 78 8.900 13.067 -3.714 1.00 25.00 H new ATOM 0 HD13 LEU A 78 9.461 13.102 -5.403 1.00 25.00 H new ATOM 0 HD21 LEU A 78 6.982 11.795 -6.609 1.00 25.00 H new ATOM 0 HD22 LEU A 78 8.643 11.305 -7.017 1.00 25.00 H new ATOM 0 HD23 LEU A 78 7.476 10.094 -6.434 1.00 25.00 H new ATOM 1243 N PHE A 79 8.094 9.329 -1.983 1.00 25.00 N ATOM 1244 CA PHE A 79 6.926 9.210 -1.127 1.00 25.00 C ATOM 1245 C PHE A 79 7.334 9.160 0.344 1.00 25.00 C ATOM 1246 O PHE A 79 8.385 8.602 0.681 1.00 25.00 O ATOM 1247 CB PHE A 79 6.152 7.955 -1.521 1.00 25.00 C ATOM 1248 CG PHE A 79 5.780 7.922 -2.981 1.00 25.00 C ATOM 1249 CD1 PHE A 79 6.527 7.151 -3.893 1.00 25.00 C ATOM 1250 CD2 PHE A 79 4.698 8.684 -3.460 1.00 25.00 C ATOM 1251 CE1 PHE A 79 6.197 7.135 -5.271 1.00 25.00 C ATOM 1252 CE2 PHE A 79 4.355 8.674 -4.837 1.00 25.00 C ATOM 1253 CZ PHE A 79 5.108 7.897 -5.742 1.00 25.00 C ATOM 0 H PHE A 79 8.345 8.469 -2.471 1.00 25.00 H new ATOM 0 HA PHE A 79 6.288 10.084 -1.258 1.00 25.00 H new ATOM 0 HB2 PHE A 79 6.753 7.076 -1.286 1.00 25.00 H new ATOM 0 HB3 PHE A 79 5.245 7.891 -0.920 1.00 25.00 H new ATOM 0 HD1 PHE A 79 7.362 6.565 -3.538 1.00 25.00 H new ATOM 0 HD2 PHE A 79 4.122 9.284 -2.771 1.00 25.00 H new ATOM 0 HE1 PHE A 79 6.779 6.540 -5.960 1.00 25.00 H new ATOM 0 HE2 PHE A 79 3.520 9.260 -5.191 1.00 25.00 H new ATOM 0 HZ PHE A 79 4.852 7.886 -6.791 1.00 25.00 H new ATOM 1263 N SER A 80 6.491 9.744 1.195 1.00 25.00 N ATOM 1264 CA SER A 80 6.738 9.854 2.641 1.00 25.00 C ATOM 1265 C SER A 80 8.015 10.644 2.931 1.00 25.00 C ATOM 1266 O SER A 80 8.819 10.268 3.782 1.00 25.00 O ATOM 1267 CB SER A 80 6.789 8.474 3.302 1.00 25.00 C ATOM 1268 OG SER A 80 5.639 7.711 2.960 1.00 25.00 O ATOM 0 H SER A 80 5.607 10.160 0.902 1.00 25.00 H new ATOM 0 HA SER A 80 5.901 10.403 3.073 1.00 25.00 H new ATOM 0 HB2 SER A 80 7.689 7.947 2.986 1.00 25.00 H new ATOM 0 HB3 SER A 80 6.849 8.586 4.385 1.00 25.00 H new ATOM 0 HG SER A 80 5.690 6.832 3.390 1.00 25.00 H new ATOM 1274 N ALA A 81 8.175 11.749 2.213 1.00 25.00 N ATOM 1275 CA ALA A 81 9.307 12.663 2.390 1.00 25.00 C ATOM 1276 C ALA A 81 8.758 14.092 2.277 1.00 25.00 C ATOM 1277 O ALA A 81 9.416 15.004 1.765 1.00 25.00 O ATOM 1278 CB ALA A 81 10.381 12.392 1.325 1.00 25.00 C ATOM 0 H ALA A 81 7.522 12.042 1.486 1.00 25.00 H new ATOM 0 HA ALA A 81 9.779 12.520 3.362 1.00 25.00 H new ATOM 0 HB1 ALA A 81 11.216 13.078 1.468 1.00 25.00 H new ATOM 0 HB2 ALA A 81 10.735 11.365 1.418 1.00 25.00 H new ATOM 0 HB3 ALA A 81 9.955 12.541 0.333 1.00 25.00 H new ATOM 1284 N ASP A 82 7.502 14.222 2.672 1.00 25.00 N ATOM 1285 CA ASP A 82 6.733 15.466 2.570 1.00 25.00 C ATOM 1286 C ASP A 82 7.240 16.545 3.551 1.00 25.00 C ATOM 1287 O ASP A 82 7.877 16.227 4.558 1.00 25.00 O ATOM 1288 CB ASP A 82 5.228 15.188 2.822 1.00 25.00 C ATOM 1289 CG ASP A 82 4.957 13.805 3.428 1.00 25.00 C ATOM 1290 OD1 ASP A 82 5.160 12.776 2.725 1.00 25.00 O ATOM 1291 OD2 ASP A 82 4.510 13.741 4.587 1.00 25.00 O ATOM 0 H ASP A 82 6.971 13.453 3.082 1.00 25.00 H new ATOM 0 HA ASP A 82 6.870 15.849 1.559 1.00 25.00 H new ATOM 0 HB2 ASP A 82 4.832 15.953 3.490 1.00 25.00 H new ATOM 0 HB3 ASP A 82 4.687 15.276 1.880 1.00 25.00 H new ATOM 1296 N PRO A 83 6.986 17.840 3.250 1.00 25.00 N ATOM 1297 CA PRO A 83 7.459 18.915 4.135 1.00 25.00 C ATOM 1298 C PRO A 83 6.633 19.064 5.415 1.00 25.00 C ATOM 1299 O PRO A 83 5.502 18.588 5.493 1.00 25.00 O ATOM 1300 CB PRO A 83 7.306 20.157 3.257 1.00 25.00 C ATOM 1301 CG PRO A 83 6.133 19.859 2.435 1.00 25.00 C ATOM 1302 CD PRO A 83 6.274 18.401 2.084 1.00 25.00 C ATOM 0 HA PRO A 83 8.471 18.727 4.493 1.00 25.00 H new ATOM 0 HB2 PRO A 83 7.157 21.055 3.856 1.00 25.00 H new ATOM 0 HB3 PRO A 83 8.192 20.326 2.644 1.00 25.00 H new ATOM 0 HG2 PRO A 83 5.208 20.048 2.981 1.00 25.00 H new ATOM 0 HG3 PRO A 83 6.108 20.481 1.540 1.00 25.00 H new ATOM 0 HD2 PRO A 83 5.304 17.926 1.938 1.00 25.00 H new ATOM 0 HD3 PRO A 83 6.839 18.262 1.162 1.00 25.00 H new ATOM 1310 N PHE A 84 7.193 19.746 6.410 1.00 25.00 N ATOM 1311 CA PHE A 84 6.522 19.909 7.706 1.00 25.00 C ATOM 1312 C PHE A 84 6.309 21.356 8.096 1.00 25.00 C ATOM 1313 O PHE A 84 5.859 21.675 9.192 1.00 25.00 O ATOM 1314 CB PHE A 84 7.310 19.183 8.800 1.00 25.00 C ATOM 1315 CG PHE A 84 7.572 17.735 8.490 1.00 25.00 C ATOM 1316 CD1 PHE A 84 8.844 17.314 8.057 1.00 25.00 C ATOM 1317 CD2 PHE A 84 6.544 16.782 8.616 1.00 25.00 C ATOM 1318 CE1 PHE A 84 9.092 15.953 7.751 1.00 25.00 C ATOM 1319 CE2 PHE A 84 6.779 15.419 8.312 1.00 25.00 C ATOM 1320 CZ PHE A 84 8.055 15.005 7.879 1.00 25.00 C ATOM 0 H PHE A 84 8.107 20.195 6.349 1.00 25.00 H new ATOM 0 HA PHE A 84 5.531 19.467 7.599 1.00 25.00 H new ATOM 0 HB2 PHE A 84 8.262 19.692 8.950 1.00 25.00 H new ATOM 0 HB3 PHE A 84 6.761 19.252 9.739 1.00 25.00 H new ATOM 0 HD1 PHE A 84 9.640 18.037 7.957 1.00 25.00 H new ATOM 0 HD2 PHE A 84 5.565 17.094 8.948 1.00 25.00 H new ATOM 0 HE1 PHE A 84 10.072 15.642 7.421 1.00 25.00 H new ATOM 0 HE2 PHE A 84 5.982 14.698 8.412 1.00 25.00 H new ATOM 0 HZ PHE A 84 8.238 13.966 7.646 1.00 25.00 H new ATOM 1330 N ASP A 85 6.582 22.228 7.154 1.00 25.00 N ATOM 1331 CA ASP A 85 6.405 23.661 7.305 1.00 25.00 C ATOM 1332 C ASP A 85 5.053 23.975 6.685 1.00 25.00 C ATOM 1333 O ASP A 85 4.905 24.875 5.889 1.00 25.00 O ATOM 1334 CB ASP A 85 7.563 24.444 6.643 1.00 25.00 C ATOM 1335 CG ASP A 85 7.925 23.924 5.244 1.00 25.00 C ATOM 1336 OD1 ASP A 85 8.351 22.743 5.129 1.00 25.00 O ATOM 1337 OD2 ASP A 85 7.903 24.721 4.286 1.00 25.00 O ATOM 0 H ASP A 85 6.942 21.959 6.238 1.00 25.00 H new ATOM 0 HA ASP A 85 6.426 23.966 8.351 1.00 25.00 H new ATOM 0 HB2 ASP A 85 7.287 25.496 6.572 1.00 25.00 H new ATOM 0 HB3 ASP A 85 8.443 24.388 7.283 1.00 25.00 H new ATOM 1342 N LEU A 86 4.061 23.185 7.070 1.00 25.00 N ATOM 1343 CA LEU A 86 2.699 23.327 6.555 1.00 25.00 C ATOM 1344 C LEU A 86 2.089 24.677 6.939 1.00 25.00 C ATOM 1345 O LEU A 86 1.263 25.223 6.220 1.00 25.00 O ATOM 1346 CB LEU A 86 1.823 22.177 7.072 1.00 25.00 C ATOM 1347 CG LEU A 86 1.711 22.018 8.601 1.00 25.00 C ATOM 1348 CD1 LEU A 86 0.304 22.368 9.077 1.00 25.00 C ATOM 1349 CD2 LEU A 86 2.062 20.591 9.014 1.00 25.00 C ATOM 0 H LEU A 86 4.173 22.429 7.746 1.00 25.00 H new ATOM 0 HA LEU A 86 2.743 23.285 5.467 1.00 25.00 H new ATOM 0 HB2 LEU A 86 0.818 22.309 6.670 1.00 25.00 H new ATOM 0 HB3 LEU A 86 2.210 21.245 6.662 1.00 25.00 H new ATOM 0 HG LEU A 86 2.417 22.705 9.068 1.00 25.00 H new ATOM 0 HD11 LEU A 86 0.246 22.249 10.159 1.00 25.00 H new ATOM 0 HD12 LEU A 86 0.077 23.401 8.813 1.00 25.00 H new ATOM 0 HD13 LEU A 86 -0.417 21.704 8.600 1.00 25.00 H new ATOM 0 HD21 LEU A 86 1.978 20.495 10.096 1.00 25.00 H new ATOM 0 HD22 LEU A 86 1.376 19.894 8.533 1.00 25.00 H new ATOM 0 HD23 LEU A 86 3.083 20.364 8.707 1.00 25.00 H new ATOM 1361 N GLU A 87 2.515 25.214 8.073 1.00 25.00 N ATOM 1362 CA GLU A 87 2.056 26.529 8.516 1.00 25.00 C ATOM 1363 C GLU A 87 2.834 27.632 7.802 1.00 25.00 C ATOM 1364 O GLU A 87 2.290 28.700 7.504 1.00 25.00 O ATOM 1365 CB GLU A 87 2.290 26.689 10.016 1.00 25.00 C ATOM 1366 CG GLU A 87 1.582 25.665 10.885 1.00 25.00 C ATOM 1367 CD GLU A 87 1.812 25.933 12.365 1.00 25.00 C ATOM 1368 OE1 GLU A 87 2.680 26.779 12.687 1.00 25.00 O ATOM 1369 OE2 GLU A 87 1.125 25.317 13.203 1.00 25.00 O ATOM 0 H GLU A 87 3.177 24.763 8.705 1.00 25.00 H new ATOM 0 HA GLU A 87 0.994 26.608 8.286 1.00 25.00 H new ATOM 0 HB2 GLU A 87 3.361 26.631 10.210 1.00 25.00 H new ATOM 0 HB3 GLU A 87 1.965 27.685 10.316 1.00 25.00 H new ATOM 0 HG2 GLU A 87 0.513 25.684 10.673 1.00 25.00 H new ATOM 0 HG3 GLU A 87 1.939 24.666 10.636 1.00 25.00 H new ATOM 1376 N ALA A 88 4.120 27.359 7.582 1.00 25.00 N ATOM 1377 CA ALA A 88 5.084 28.289 6.976 1.00 25.00 C ATOM 1378 C ALA A 88 4.850 29.758 7.389 1.00 25.00 C ATOM 1379 O ALA A 88 4.650 30.648 6.555 1.00 25.00 O ATOM 1380 CB ALA A 88 5.084 28.115 5.459 1.00 25.00 C ATOM 0 H ALA A 88 4.536 26.460 7.826 1.00 25.00 H new ATOM 0 HA ALA A 88 6.073 28.038 7.360 1.00 25.00 H new ATOM 0 HB1 ALA A 88 5.800 28.806 5.014 1.00 25.00 H new ATOM 0 HB2 ALA A 88 5.365 27.092 5.210 1.00 25.00 H new ATOM 0 HB3 ALA A 88 4.088 28.323 5.069 1.00 25.00 H new ATOM 1386 N GLN A 89 4.843 29.982 8.695 1.00 25.00 N ATOM 1387 CA GLN A 89 4.610 31.307 9.265 1.00 25.00 C ATOM 1388 C GLN A 89 5.825 32.224 9.089 1.00 25.00 C ATOM 1389 O GLN A 89 6.895 31.776 8.685 1.00 25.00 O ATOM 1390 CB GLN A 89 4.298 31.193 10.765 1.00 25.00 C ATOM 1391 CG GLN A 89 3.056 30.372 11.092 1.00 25.00 C ATOM 1392 CD GLN A 89 2.576 30.612 12.514 1.00 25.00 C ATOM 1393 OE1 GLN A 89 2.330 31.744 12.903 1.00 25.00 O ATOM 1394 NE2 GLN A 89 2.452 29.569 13.288 1.00 25.00 N ATOM 0 H GLN A 89 4.998 29.253 9.391 1.00 25.00 H new ATOM 0 HA GLN A 89 3.763 31.739 8.732 1.00 25.00 H new ATOM 0 HB2 GLN A 89 5.156 30.747 11.269 1.00 25.00 H new ATOM 0 HB3 GLN A 89 4.174 32.195 11.174 1.00 25.00 H new ATOM 0 HG2 GLN A 89 2.259 30.625 10.392 1.00 25.00 H new ATOM 0 HG3 GLN A 89 3.275 29.313 10.957 1.00 25.00 H new ATOM 0 HE21 GLN A 89 2.666 28.639 12.929 1.00 25.00 H new ATOM 0 HE22 GLN A 89 2.141 29.684 14.252 1.00 25.00 H new ATOM 1403 N ALA A 90 5.635 33.494 9.447 1.00 25.00 N ATOM 1404 CA ALA A 90 6.683 34.536 9.485 1.00 25.00 C ATOM 1405 C ALA A 90 7.300 34.923 8.153 1.00 25.00 C ATOM 1406 O ALA A 90 8.244 35.709 8.063 1.00 25.00 O ATOM 1407 CB ALA A 90 7.756 34.152 10.464 1.00 25.00 C ATOM 0 H ALA A 90 4.720 33.846 9.729 1.00 25.00 H new ATOM 0 HA ALA A 90 6.158 35.436 9.806 1.00 25.00 H new ATOM 0 HB1 ALA A 90 8.523 34.926 10.485 1.00 25.00 H new ATOM 0 HB2 ALA A 90 7.321 34.046 11.458 1.00 25.00 H new ATOM 0 HB3 ALA A 90 8.203 33.205 10.161 1.00 25.00 H new ATOM 1413 N LYS A 91 6.683 34.403 7.128 1.00 25.00 N ATOM 1414 CA LYS A 91 6.996 34.777 5.752 1.00 25.00 C ATOM 1415 C LYS A 91 6.317 36.116 5.497 1.00 25.00 C ATOM 1416 O LYS A 91 5.323 36.438 6.148 1.00 25.00 O ATOM 1417 CB LYS A 91 6.498 33.718 4.759 1.00 25.00 C ATOM 1418 CG LYS A 91 4.980 33.558 4.710 1.00 25.00 C ATOM 1419 CD LYS A 91 4.585 32.482 3.706 1.00 25.00 C ATOM 1420 CE LYS A 91 3.071 32.285 3.657 1.00 25.00 C ATOM 1421 NZ LYS A 91 2.525 31.841 4.986 1.00 25.00 N ATOM 0 H LYS A 91 5.944 33.704 7.210 1.00 25.00 H new ATOM 0 HA LYS A 91 8.074 34.850 5.612 1.00 25.00 H new ATOM 0 HB2 LYS A 91 6.855 33.977 3.762 1.00 25.00 H new ATOM 0 HB3 LYS A 91 6.943 32.758 5.018 1.00 25.00 H new ATOM 0 HG2 LYS A 91 4.605 33.295 5.699 1.00 25.00 H new ATOM 0 HG3 LYS A 91 4.518 34.506 4.435 1.00 25.00 H new ATOM 0 HD2 LYS A 91 4.949 32.757 2.716 1.00 25.00 H new ATOM 0 HD3 LYS A 91 5.066 31.541 3.973 1.00 25.00 H new ATOM 0 HE2 LYS A 91 2.592 33.218 3.360 1.00 25.00 H new ATOM 0 HE3 LYS A 91 2.825 31.544 2.896 1.00 25.00 H new ATOM 0 HZ1 LYS A 91 1.767 31.145 4.835 1.00 25.00 H new ATOM 0 HZ2 LYS A 91 3.286 31.407 5.547 1.00 25.00 H new ATOM 0 HZ3 LYS A 91 2.144 32.663 5.497 1.00 25.00 H new ATOM 1435 N ILE A 92 6.856 36.886 4.566 1.00 25.00 N ATOM 1436 CA ILE A 92 6.269 38.165 4.177 1.00 25.00 C ATOM 1437 C ILE A 92 6.307 38.203 2.657 1.00 25.00 C ATOM 1438 O ILE A 92 7.380 38.124 2.058 1.00 25.00 O ATOM 1439 CB ILE A 92 7.060 39.393 4.751 1.00 25.00 C ATOM 1440 CG1 ILE A 92 7.110 39.329 6.295 1.00 25.00 C ATOM 1441 CG2 ILE A 92 6.396 40.726 4.287 1.00 25.00 C ATOM 1442 CD1 ILE A 92 8.020 40.384 6.955 1.00 25.00 C ATOM 0 H ILE A 92 7.708 36.647 4.059 1.00 25.00 H new ATOM 0 HA ILE A 92 5.257 38.240 4.576 1.00 25.00 H new ATOM 0 HB ILE A 92 8.080 39.358 4.370 1.00 25.00 H new ATOM 0 HG12 ILE A 92 6.098 39.448 6.683 1.00 25.00 H new ATOM 0 HG13 ILE A 92 7.451 38.338 6.593 1.00 25.00 H new ATOM 0 HG21 ILE A 92 6.954 41.570 4.692 1.00 25.00 H new ATOM 0 HG22 ILE A 92 6.402 40.776 3.198 1.00 25.00 H new ATOM 0 HG23 ILE A 92 5.368 40.765 4.647 1.00 25.00 H new ATOM 0 HD11 ILE A 92 7.992 40.262 8.038 1.00 25.00 H new ATOM 0 HD12 ILE A 92 9.043 40.254 6.602 1.00 25.00 H new ATOM 0 HD13 ILE A 92 7.669 41.382 6.693 1.00 25.00 H new ATOM 1454 N GLU A 93 5.143 38.303 2.044 1.00 25.00 N ATOM 1455 CA GLU A 93 5.023 38.385 0.591 1.00 25.00 C ATOM 1456 C GLU A 93 4.640 39.819 0.228 1.00 25.00 C ATOM 1457 O GLU A 93 4.171 40.577 1.077 1.00 25.00 O ATOM 1458 CB GLU A 93 3.981 37.379 0.067 1.00 25.00 C ATOM 1459 CG GLU A 93 2.685 37.292 0.886 1.00 25.00 C ATOM 1460 CD GLU A 93 2.822 36.383 2.110 1.00 25.00 C ATOM 1461 OE1 GLU A 93 2.839 36.911 3.242 1.00 25.00 O ATOM 1462 OE2 GLU A 93 2.932 35.146 1.941 1.00 25.00 O ATOM 0 H GLU A 93 4.250 38.330 2.535 1.00 25.00 H new ATOM 0 HA GLU A 93 5.973 38.127 0.122 1.00 25.00 H new ATOM 0 HB2 GLU A 93 3.726 37.646 -0.959 1.00 25.00 H new ATOM 0 HB3 GLU A 93 4.439 36.390 0.035 1.00 25.00 H new ATOM 0 HG2 GLU A 93 2.397 38.292 1.211 1.00 25.00 H new ATOM 0 HG3 GLU A 93 1.882 36.920 0.250 1.00 25.00 H new ATOM 1469 N GLU A 94 4.869 40.205 -1.019 1.00 25.00 N ATOM 1470 CA GLU A 94 4.589 41.564 -1.471 1.00 25.00 C ATOM 1471 C GLU A 94 4.251 41.533 -2.949 1.00 25.00 C ATOM 1472 O GLU A 94 4.688 40.641 -3.672 1.00 25.00 O ATOM 1473 CB GLU A 94 5.826 42.440 -1.293 1.00 25.00 C ATOM 1474 CG GLU A 94 5.571 43.938 -1.266 1.00 25.00 C ATOM 1475 CD GLU A 94 6.512 44.680 -2.201 1.00 25.00 C ATOM 1476 OE1 GLU A 94 6.324 44.598 -3.447 1.00 25.00 O ATOM 1477 OE2 GLU A 94 7.427 45.369 -1.707 1.00 25.00 O ATOM 0 H GLU A 94 5.250 39.594 -1.741 1.00 25.00 H new ATOM 0 HA GLU A 94 3.760 41.966 -0.888 1.00 25.00 H new ATOM 0 HB2 GLU A 94 6.319 42.157 -0.363 1.00 25.00 H new ATOM 0 HB3 GLU A 94 6.523 42.223 -2.103 1.00 25.00 H new ATOM 0 HG2 GLU A 94 4.539 44.138 -1.553 1.00 25.00 H new ATOM 0 HG3 GLU A 94 5.697 44.311 -0.250 1.00 25.00 H new ATOM 1484 N ASP A 95 3.524 42.549 -3.381 1.00 25.00 N ATOM 1485 CA ASP A 95 3.175 42.750 -4.789 1.00 25.00 C ATOM 1486 C ASP A 95 2.700 44.189 -5.031 1.00 25.00 C ATOM 1487 O ASP A 95 1.598 44.431 -5.512 1.00 25.00 O ATOM 1488 CB ASP A 95 2.090 41.771 -5.259 1.00 25.00 C ATOM 1489 CG ASP A 95 1.927 41.778 -6.778 1.00 25.00 C ATOM 1490 OD1 ASP A 95 0.973 41.144 -7.282 1.00 25.00 O ATOM 1491 OD2 ASP A 95 2.776 42.403 -7.470 1.00 25.00 O ATOM 0 H ASP A 95 3.152 43.269 -2.762 1.00 25.00 H new ATOM 0 HA ASP A 95 4.079 42.561 -5.367 1.00 25.00 H new ATOM 0 HB2 ASP A 95 2.343 40.764 -4.927 1.00 25.00 H new ATOM 0 HB3 ASP A 95 1.140 42.032 -4.792 1.00 25.00 H new ATOM 1496 N ILE A 96 3.541 45.161 -4.706 1.00 25.00 N ATOM 1497 CA ILE A 96 3.215 46.564 -5.010 1.00 25.00 C ATOM 1498 C ILE A 96 4.053 46.974 -6.218 1.00 25.00 C ATOM 1499 O ILE A 96 4.310 48.151 -6.466 1.00 25.00 O ATOM 1500 CB ILE A 96 3.416 47.524 -3.791 1.00 25.00 C ATOM 1501 CG1 ILE A 96 4.881 47.551 -3.320 1.00 25.00 C ATOM 1502 CG2 ILE A 96 2.486 47.089 -2.624 1.00 25.00 C ATOM 1503 CD1 ILE A 96 5.234 48.742 -2.423 1.00 25.00 C ATOM 0 H ILE A 96 4.438 45.018 -4.241 1.00 25.00 H new ATOM 0 HA ILE A 96 2.153 46.648 -5.239 1.00 25.00 H new ATOM 0 HB ILE A 96 3.157 48.533 -4.111 1.00 25.00 H new ATOM 0 HG12 ILE A 96 5.093 46.629 -2.779 1.00 25.00 H new ATOM 0 HG13 ILE A 96 5.531 47.565 -4.195 1.00 25.00 H new ATOM 0 HG21 ILE A 96 2.628 47.759 -1.776 1.00 25.00 H new ATOM 0 HG22 ILE A 96 1.447 47.133 -2.951 1.00 25.00 H new ATOM 0 HG23 ILE A 96 2.730 46.069 -2.325 1.00 25.00 H new ATOM 0 HD11 ILE A 96 6.284 48.683 -2.137 1.00 25.00 H new ATOM 0 HD12 ILE A 96 5.057 49.671 -2.965 1.00 25.00 H new ATOM 0 HD13 ILE A 96 4.612 48.720 -1.528 1.00 25.00 H new ATOM 1515 N ARG A 97 4.459 45.972 -6.987 1.00 25.00 N ATOM 1516 CA ARG A 97 5.333 46.160 -8.151 1.00 25.00 C ATOM 1517 C ARG A 97 4.579 46.592 -9.415 1.00 25.00 C ATOM 1518 O ARG A 97 5.003 46.345 -10.537 1.00 25.00 O ATOM 1519 CB ARG A 97 6.111 44.851 -8.395 1.00 25.00 C ATOM 1520 CG ARG A 97 7.598 44.971 -8.090 1.00 25.00 C ATOM 1521 CD ARG A 97 7.860 45.070 -6.589 1.00 25.00 C ATOM 1522 NE ARG A 97 9.286 45.307 -6.308 1.00 25.00 N ATOM 1523 CZ ARG A 97 9.808 45.470 -5.099 1.00 25.00 C ATOM 1524 NH1 ARG A 97 9.086 45.417 -4.016 1.00 25.00 N ATOM 1525 NH2 ARG A 97 11.088 45.689 -4.979 1.00 25.00 N ATOM 0 H ARG A 97 4.194 45.000 -6.825 1.00 25.00 H new ATOM 0 HA ARG A 97 6.018 46.978 -7.928 1.00 25.00 H new ATOM 0 HB2 ARG A 97 5.683 44.061 -7.778 1.00 25.00 H new ATOM 0 HB3 ARG A 97 5.983 44.548 -9.434 1.00 25.00 H new ATOM 0 HG2 ARG A 97 8.124 44.106 -8.495 1.00 25.00 H new ATOM 0 HG3 ARG A 97 8.002 45.852 -8.589 1.00 25.00 H new ATOM 0 HD2 ARG A 97 7.265 45.880 -6.167 1.00 25.00 H new ATOM 0 HD3 ARG A 97 7.539 44.150 -6.100 1.00 25.00 H new ATOM 0 HE ARG A 97 9.922 45.349 -7.105 1.00 25.00 H new ATOM 0 HH11 ARG A 97 8.083 45.245 -4.080 1.00 25.00 H new ATOM 0 HH12 ARG A 97 9.524 45.547 -3.104 1.00 25.00 H new ATOM 0 HH21 ARG A 97 11.678 45.734 -5.810 1.00 25.00 H new ATOM 0 HH22 ARG A 97 11.499 45.816 -4.054 1.00 25.00 H new ATOM 1539 N GLN A 98 3.470 47.313 -9.210 1.00 25.00 N ATOM 1540 CA GLN A 98 2.647 47.907 -10.284 1.00 25.00 C ATOM 1541 C GLN A 98 2.137 46.861 -11.311 1.00 25.00 C ATOM 1542 O GLN A 98 2.070 47.040 -12.514 1.00 25.00 O ATOM 1543 CB GLN A 98 3.428 49.083 -10.944 1.00 25.00 C ATOM 1544 CG GLN A 98 2.494 50.068 -11.677 1.00 25.00 C ATOM 1545 CD GLN A 98 3.240 50.757 -12.788 1.00 25.00 C ATOM 1546 OE1 GLN A 98 3.695 51.871 -12.712 1.00 25.00 O ATOM 1547 NE2 GLN A 98 3.383 50.050 -13.899 1.00 25.00 N ATOM 1548 OXT GLN A 98 1.677 45.775 -10.759 1.00 25.00 O ATOM 0 H GLN A 98 3.108 47.507 -8.276 1.00 25.00 H new ATOM 0 HA GLN A 98 1.737 48.308 -9.837 1.00 25.00 H new ATOM 0 HB2 GLN A 98 3.989 49.619 -10.178 1.00 25.00 H new ATOM 0 HB3 GLN A 98 4.156 48.682 -11.650 1.00 25.00 H new ATOM 0 HG2 GLN A 98 1.635 49.534 -12.082 1.00 25.00 H new ATOM 0 HG3 GLN A 98 2.108 50.807 -10.975 1.00 25.00 H new ATOM 0 HE21 GLN A 98 2.996 49.108 -13.957 1.00 25.00 H new ATOM 0 HE22 GLN A 98 3.880 50.447 -14.696 1.00 25.00 H new TER 1558 GLN A 98