USER MOD reduce.3.24.130724 H: found=0, std=0, add=787, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 784 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 7 THR OG1 : rot 160:sc= 0.566 USER MOD Set 1.2: A 9 LYS NZ :NH3+ 176:sc= 0.619 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ -174:sc=-0.00335 (180deg=-0.0536) USER MOD Single : A 2 SER OG : rot 180:sc= -0.243 USER MOD Single : A 3 HIS : no HD1:sc= -0.074 X(o=-0.074,f=-0.074) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 LYS NZ :NH3+ -112:sc= 0.0742 (180deg=-0.0576) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.101 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -151:sc= 0.0279 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl -104:sc= -3.87! (180deg=-9.08!) USER MOD Single : A 48 GLN : amide:sc= -0.291 K(o=-0.29,f=-1.5!) USER MOD Single : A 51 MET CE :methyl -177:sc= -4.59 (180deg=-4.73) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 HIS : no HD1:sc= -6.1! C(o=-6.1!,f=-4.5!) USER MOD Single : A 63 LYS NZ :NH3+ -149:sc= -0.0691 (180deg=-0.403) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 4:sc= -0.231 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc= -2.36! C(o=-2.4!,f=-3.6!) USER MOD Single : A 82 ASN : amide:sc= -5.71! K(o=-5.7!,f=-1.9) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 153:sc= -1.52! (180deg=-3.2!) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN : amide:sc= -5.02! C(o=-5!,f=-5.5!) USER MOD Single : A 95 LYS NZ :NH3+ -145:sc= -0.0384 (180deg=-1.19) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.708 7.263 4.765 1.00 0.00 N ATOM 2 CA GLY A 1 -12.229 7.310 4.600 1.00 0.00 C ATOM 3 C GLY A 1 -11.808 7.491 3.155 1.00 0.00 C ATOM 4 O GLY A 1 -10.837 8.191 2.868 1.00 0.00 O ATOM 0 H1 GLY A 1 -13.944 7.241 5.778 1.00 0.00 H new ATOM 0 H2 GLY A 1 -14.133 8.106 4.329 1.00 0.00 H new ATOM 0 H3 GLY A 1 -14.082 6.409 4.304 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.827 8.129 5.197 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -11.795 6.389 4.988 1.00 0.00 H new ATOM 10 N SER A 2 -12.538 6.859 2.243 1.00 0.00 N ATOM 11 CA SER A 2 -12.233 6.952 0.820 1.00 0.00 C ATOM 12 C SER A 2 -12.996 8.101 0.167 1.00 0.00 C ATOM 13 O SER A 2 -13.952 8.630 0.736 1.00 0.00 O ATOM 14 CB SER A 2 -12.572 5.637 0.115 1.00 0.00 C ATOM 15 OG SER A 2 -12.401 5.749 -1.286 1.00 0.00 O ATOM 0 H SER A 2 -13.346 6.276 2.464 1.00 0.00 H new ATOM 0 HA SER A 2 -11.165 7.147 0.720 1.00 0.00 H new ATOM 0 HB2 SER A 2 -11.935 4.840 0.499 1.00 0.00 H new ATOM 0 HB3 SER A 2 -13.602 5.357 0.337 1.00 0.00 H new ATOM 0 HG SER A 2 -12.623 4.895 -1.712 1.00 0.00 H new ATOM 21 N HIS A 3 -12.567 8.479 -1.033 1.00 0.00 N ATOM 22 CA HIS A 3 -13.206 9.561 -1.773 1.00 0.00 C ATOM 23 C HIS A 3 -13.129 9.306 -3.275 1.00 0.00 C ATOM 24 O HIS A 3 -12.560 8.307 -3.716 1.00 0.00 O ATOM 25 CB HIS A 3 -12.546 10.900 -1.440 1.00 0.00 C ATOM 26 CG HIS A 3 -12.879 11.409 -0.071 1.00 0.00 C ATOM 27 ND1 HIS A 3 -14.110 11.937 0.258 1.00 0.00 N ATOM 28 CD2 HIS A 3 -12.133 11.473 1.059 1.00 0.00 C ATOM 29 CE1 HIS A 3 -14.109 12.304 1.526 1.00 0.00 C ATOM 30 NE2 HIS A 3 -12.922 12.032 2.035 1.00 0.00 N ATOM 0 H HIS A 3 -11.777 8.050 -1.515 1.00 0.00 H new ATOM 0 HA HIS A 3 -14.254 9.599 -1.477 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -11.465 10.794 -1.526 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -12.853 11.641 -2.178 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -11.110 11.146 1.171 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -14.937 12.750 2.056 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -12.636 12.208 2.998 1.00 0.00 H new ATOM 38 N MET A 4 -13.700 10.216 -4.056 1.00 0.00 N ATOM 39 CA MET A 4 -13.689 10.087 -5.509 1.00 0.00 C ATOM 40 C MET A 4 -12.632 10.995 -6.126 1.00 0.00 C ATOM 41 O MET A 4 -12.841 11.577 -7.192 1.00 0.00 O ATOM 42 CB MET A 4 -15.068 10.418 -6.086 1.00 0.00 C ATOM 43 CG MET A 4 -15.543 11.830 -5.773 1.00 0.00 C ATOM 44 SD MET A 4 -17.301 11.898 -5.379 1.00 0.00 S ATOM 45 CE MET A 4 -17.274 11.497 -3.634 1.00 0.00 C ATOM 0 H MET A 4 -14.175 11.049 -3.709 1.00 0.00 H new ATOM 0 HA MET A 4 -13.443 9.054 -5.755 1.00 0.00 H new ATOM 0 HB2 MET A 4 -15.040 10.286 -7.168 1.00 0.00 H new ATOM 0 HB3 MET A 4 -15.795 9.705 -5.696 1.00 0.00 H new ATOM 0 HG2 MET A 4 -14.971 12.224 -4.933 1.00 0.00 H new ATOM 0 HG3 MET A 4 -15.341 12.475 -6.628 1.00 0.00 H new ATOM 0 HE1 MET A 4 -18.292 11.499 -3.244 1.00 0.00 H new ATOM 0 HE2 MET A 4 -16.834 10.509 -3.494 1.00 0.00 H new ATOM 0 HE3 MET A 4 -16.679 12.238 -3.100 1.00 0.00 H new ATOM 55 N GLN A 5 -11.491 11.109 -5.453 1.00 0.00 N ATOM 56 CA GLN A 5 -10.397 11.942 -5.936 1.00 0.00 C ATOM 57 C GLN A 5 -9.590 11.208 -6.999 1.00 0.00 C ATOM 58 O GLN A 5 -9.493 11.657 -8.142 1.00 0.00 O ATOM 59 CB GLN A 5 -9.487 12.347 -4.776 1.00 0.00 C ATOM 60 CG GLN A 5 -8.428 13.366 -5.164 1.00 0.00 C ATOM 61 CD GLN A 5 -8.826 14.784 -4.804 1.00 0.00 C ATOM 62 OE1 GLN A 5 -9.470 15.479 -5.589 1.00 0.00 O ATOM 63 NE2 GLN A 5 -8.442 15.222 -3.610 1.00 0.00 N ATOM 0 H GLN A 5 -11.301 10.634 -4.571 1.00 0.00 H new ATOM 0 HA GLN A 5 -10.823 12.840 -6.383 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -10.098 12.757 -3.972 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -8.997 11.457 -4.381 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -7.490 13.118 -4.666 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -8.245 13.305 -6.237 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -7.909 14.612 -2.990 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -8.680 16.168 -3.313 1.00 0.00 H new ATOM 72 N ALA A 6 -9.010 10.076 -6.615 1.00 0.00 N ATOM 73 CA ALA A 6 -8.213 9.277 -7.534 1.00 0.00 C ATOM 74 C ALA A 6 -9.103 8.434 -8.440 1.00 0.00 C ATOM 75 O ALA A 6 -10.222 8.078 -8.068 1.00 0.00 O ATOM 76 CB ALA A 6 -7.250 8.388 -6.760 1.00 0.00 C ATOM 0 H ALA A 6 -9.078 9.692 -5.672 1.00 0.00 H new ATOM 0 HA ALA A 6 -7.637 9.956 -8.164 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -6.660 7.796 -7.459 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -6.585 9.008 -6.159 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -7.814 7.722 -6.107 1.00 0.00 H new ATOM 82 N THR A 7 -8.603 8.121 -9.630 1.00 0.00 N ATOM 83 CA THR A 7 -9.356 7.322 -10.589 1.00 0.00 C ATOM 84 C THR A 7 -8.671 5.983 -10.837 1.00 0.00 C ATOM 85 O THR A 7 -7.454 5.918 -11.011 1.00 0.00 O ATOM 86 CB THR A 7 -9.513 8.083 -11.907 1.00 0.00 C ATOM 87 OG1 THR A 7 -10.125 7.266 -12.891 1.00 0.00 O ATOM 88 CG2 THR A 7 -8.197 8.578 -12.471 1.00 0.00 C ATOM 0 H THR A 7 -7.679 8.408 -9.954 1.00 0.00 H new ATOM 0 HA THR A 7 -10.344 7.131 -10.170 1.00 0.00 H new ATOM 0 HB THR A 7 -10.136 8.945 -11.670 1.00 0.00 H new ATOM 0 HG1 THR A 7 -10.505 7.831 -13.595 1.00 0.00 H new ATOM 0 HG21 THR A 7 -8.378 9.109 -13.405 1.00 0.00 H new ATOM 0 HG22 THR A 7 -7.725 9.252 -11.756 1.00 0.00 H new ATOM 0 HG23 THR A 7 -7.539 7.729 -12.658 1.00 0.00 H new ATOM 96 N TRP A 8 -9.461 4.915 -10.848 1.00 0.00 N ATOM 97 CA TRP A 8 -8.930 3.578 -11.073 1.00 0.00 C ATOM 98 C TRP A 8 -9.852 2.755 -11.967 1.00 0.00 C ATOM 99 O TRP A 8 -11.060 2.990 -12.018 1.00 0.00 O ATOM 100 CB TRP A 8 -8.726 2.865 -9.738 1.00 0.00 C ATOM 101 CG TRP A 8 -7.657 3.487 -8.896 1.00 0.00 C ATOM 102 CD1 TRP A 8 -7.713 4.688 -8.251 1.00 0.00 C ATOM 103 CD2 TRP A 8 -6.368 2.939 -8.616 1.00 0.00 C ATOM 104 NE1 TRP A 8 -6.535 4.919 -7.583 1.00 0.00 N ATOM 105 CE2 TRP A 8 -5.692 3.858 -7.793 1.00 0.00 C ATOM 106 CE3 TRP A 8 -5.721 1.758 -8.982 1.00 0.00 C ATOM 107 CZ2 TRP A 8 -4.398 3.629 -7.327 1.00 0.00 C ATOM 108 CZ3 TRP A 8 -4.440 1.534 -8.522 1.00 0.00 C ATOM 109 CH2 TRP A 8 -3.788 2.462 -7.703 1.00 0.00 C ATOM 0 H TRP A 8 -10.470 4.950 -10.704 1.00 0.00 H new ATOM 0 HA TRP A 8 -7.971 3.679 -11.581 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -9.665 2.869 -9.184 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -8.471 1.822 -9.926 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -8.559 5.359 -8.264 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -6.322 5.744 -7.023 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -6.214 1.033 -9.613 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -3.896 4.345 -6.693 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -3.930 0.623 -8.800 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -2.785 2.254 -7.361 1.00 0.00 H new ATOM 120 N LYS A 9 -9.271 1.782 -12.657 1.00 0.00 N ATOM 121 CA LYS A 9 -10.024 0.900 -13.541 1.00 0.00 C ATOM 122 C LYS A 9 -9.399 -0.488 -13.549 1.00 0.00 C ATOM 123 O LYS A 9 -9.395 -1.175 -14.570 1.00 0.00 O ATOM 124 CB LYS A 9 -10.061 1.465 -14.963 1.00 0.00 C ATOM 125 CG LYS A 9 -8.714 1.976 -15.453 1.00 0.00 C ATOM 126 CD LYS A 9 -8.821 3.391 -15.999 1.00 0.00 C ATOM 127 CE LYS A 9 -9.037 4.402 -14.885 1.00 0.00 C ATOM 128 NZ LYS A 9 -9.729 5.628 -15.369 1.00 0.00 N ATOM 0 H LYS A 9 -8.271 1.582 -12.621 1.00 0.00 H new ATOM 0 HA LYS A 9 -11.046 0.830 -13.169 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -10.415 0.690 -15.643 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -10.785 2.279 -15.002 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -7.995 1.954 -14.634 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -8.332 1.313 -16.229 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -7.913 3.640 -16.547 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -9.647 3.447 -16.708 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -9.625 3.944 -14.089 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -8.075 4.676 -14.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -9.917 6.261 -14.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -9.126 6.117 -16.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -10.629 5.364 -15.819 1.00 0.00 H new ATOM 142 N GLU A 10 -8.850 -0.882 -12.406 1.00 0.00 N ATOM 143 CA GLU A 10 -8.196 -2.175 -12.283 1.00 0.00 C ATOM 144 C GLU A 10 -9.193 -3.329 -12.332 1.00 0.00 C ATOM 145 O GLU A 10 -10.237 -3.298 -11.680 1.00 0.00 O ATOM 146 CB GLU A 10 -7.368 -2.227 -10.998 1.00 0.00 C ATOM 147 CG GLU A 10 -8.185 -2.037 -9.732 1.00 0.00 C ATOM 148 CD GLU A 10 -7.452 -1.219 -8.686 1.00 0.00 C ATOM 149 OE1 GLU A 10 -6.390 -1.675 -8.212 1.00 0.00 O ATOM 150 OE2 GLU A 10 -7.939 -0.121 -8.340 1.00 0.00 O ATOM 0 H GLU A 10 -8.846 -0.323 -11.553 1.00 0.00 H new ATOM 0 HA GLU A 10 -7.531 -2.292 -13.139 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -6.855 -3.187 -10.947 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -6.599 -1.456 -11.042 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -9.125 -1.545 -9.980 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -8.436 -3.012 -9.316 1.00 0.00 H new ATOM 157 N LYS A 11 -8.851 -4.345 -13.123 1.00 0.00 N ATOM 158 CA LYS A 11 -9.693 -5.524 -13.285 1.00 0.00 C ATOM 159 C LYS A 11 -9.828 -6.286 -11.967 1.00 0.00 C ATOM 160 O LYS A 11 -9.622 -5.719 -10.894 1.00 0.00 O ATOM 161 CB LYS A 11 -9.108 -6.436 -14.370 1.00 0.00 C ATOM 162 CG LYS A 11 -8.812 -5.718 -15.679 1.00 0.00 C ATOM 163 CD LYS A 11 -8.088 -6.624 -16.661 1.00 0.00 C ATOM 164 CE LYS A 11 -8.406 -6.254 -18.102 1.00 0.00 C ATOM 165 NZ LYS A 11 -7.270 -5.551 -18.760 1.00 0.00 N ATOM 0 H LYS A 11 -7.988 -4.372 -13.665 1.00 0.00 H new ATOM 0 HA LYS A 11 -10.688 -5.199 -13.589 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -8.188 -6.886 -13.997 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -9.806 -7.251 -14.563 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -9.745 -5.370 -16.123 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -8.204 -4.835 -15.481 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -7.013 -6.555 -16.496 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -8.373 -7.660 -16.479 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -8.648 -7.156 -18.663 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -9.290 -5.617 -18.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -7.534 -4.562 -18.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -6.438 -5.577 -18.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -7.044 -6.022 -19.659 1.00 0.00 H new ATOM 179 N ASP A 12 -10.179 -7.569 -12.050 1.00 0.00 N ATOM 180 CA ASP A 12 -10.340 -8.393 -10.858 1.00 0.00 C ATOM 181 C ASP A 12 -9.499 -9.664 -10.944 1.00 0.00 C ATOM 182 O ASP A 12 -9.788 -10.656 -10.274 1.00 0.00 O ATOM 183 CB ASP A 12 -11.817 -8.752 -10.662 1.00 0.00 C ATOM 184 CG ASP A 12 -12.366 -8.241 -9.346 1.00 0.00 C ATOM 185 OD1 ASP A 12 -12.054 -8.844 -8.297 1.00 0.00 O ATOM 186 OD2 ASP A 12 -13.107 -7.236 -9.362 1.00 0.00 O ATOM 0 H ASP A 12 -10.356 -8.057 -12.928 1.00 0.00 H new ATOM 0 HA ASP A 12 -9.993 -7.816 -10.001 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -12.401 -8.335 -11.482 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -11.934 -9.835 -10.705 1.00 0.00 H new ATOM 191 N GLY A 13 -8.460 -9.633 -11.775 1.00 0.00 N ATOM 192 CA GLY A 13 -7.603 -10.795 -11.927 1.00 0.00 C ATOM 193 C GLY A 13 -6.253 -10.621 -11.253 1.00 0.00 C ATOM 194 O GLY A 13 -6.113 -9.818 -10.333 1.00 0.00 O ATOM 0 H GLY A 13 -8.198 -8.828 -12.343 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -8.104 -11.668 -11.508 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -7.452 -10.993 -12.988 1.00 0.00 H new ATOM 198 N ALA A 14 -5.263 -11.386 -11.706 1.00 0.00 N ATOM 199 CA ALA A 14 -3.919 -11.320 -11.141 1.00 0.00 C ATOM 200 C ALA A 14 -3.225 -10.006 -11.488 1.00 0.00 C ATOM 201 O ALA A 14 -3.841 -9.090 -12.035 1.00 0.00 O ATOM 202 CB ALA A 14 -3.091 -12.502 -11.626 1.00 0.00 C ATOM 0 H ALA A 14 -5.367 -12.060 -12.464 1.00 0.00 H new ATOM 0 HA ALA A 14 -4.009 -11.366 -10.056 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -2.090 -12.444 -11.199 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -3.566 -13.432 -11.313 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -3.024 -12.477 -12.714 1.00 0.00 H new ATOM 208 N VAL A 15 -1.927 -9.944 -11.208 1.00 0.00 N ATOM 209 CA VAL A 15 -1.124 -8.771 -11.536 1.00 0.00 C ATOM 210 C VAL A 15 -1.011 -8.610 -13.046 1.00 0.00 C ATOM 211 O VAL A 15 -1.085 -9.595 -13.782 1.00 0.00 O ATOM 212 CB VAL A 15 0.290 -8.860 -10.931 1.00 0.00 C ATOM 213 CG1 VAL A 15 1.003 -10.112 -11.419 1.00 0.00 C ATOM 214 CG2 VAL A 15 1.104 -7.611 -11.250 1.00 0.00 C ATOM 0 H VAL A 15 -1.407 -10.695 -10.753 1.00 0.00 H new ATOM 0 HA VAL A 15 -1.630 -7.905 -11.108 1.00 0.00 H new ATOM 0 HB VAL A 15 0.190 -8.923 -9.847 1.00 0.00 H new ATOM 0 HG11 VAL A 15 2.000 -10.157 -10.981 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.435 -10.994 -11.121 1.00 0.00 H new ATOM 0 HG13 VAL A 15 1.085 -10.084 -12.506 1.00 0.00 H new ATOM 0 HG21 VAL A 15 2.097 -7.702 -10.810 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.194 -7.502 -12.331 1.00 0.00 H new ATOM 0 HG23 VAL A 15 0.603 -6.735 -10.837 1.00 0.00 H new ATOM 224 N GLU A 16 -0.806 -7.386 -13.514 1.00 0.00 N ATOM 225 CA GLU A 16 -0.657 -7.139 -14.936 1.00 0.00 C ATOM 226 C GLU A 16 0.518 -6.195 -15.181 1.00 0.00 C ATOM 227 O GLU A 16 0.974 -5.513 -14.264 1.00 0.00 O ATOM 228 CB GLU A 16 -1.940 -6.547 -15.518 1.00 0.00 C ATOM 229 CG GLU A 16 -2.978 -7.593 -15.891 1.00 0.00 C ATOM 230 CD GLU A 16 -3.749 -7.226 -17.144 1.00 0.00 C ATOM 231 OE1 GLU A 16 -3.105 -6.864 -18.151 1.00 0.00 O ATOM 232 OE2 GLU A 16 -4.994 -7.300 -17.118 1.00 0.00 O ATOM 0 H GLU A 16 -0.740 -6.553 -12.929 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.461 -8.088 -15.435 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.374 -5.859 -14.793 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.691 -5.962 -16.403 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -2.484 -8.553 -16.041 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -3.676 -7.719 -15.063 1.00 0.00 H new ATOM 239 N ALA A 17 1.022 -6.200 -16.415 1.00 0.00 N ATOM 240 CA ALA A 17 2.180 -5.379 -16.800 1.00 0.00 C ATOM 241 C ALA A 17 2.389 -4.202 -15.843 1.00 0.00 C ATOM 242 O ALA A 17 3.310 -4.220 -15.027 1.00 0.00 O ATOM 243 CB ALA A 17 2.017 -4.876 -18.228 1.00 0.00 C ATOM 0 H ALA A 17 0.645 -6.767 -17.174 1.00 0.00 H new ATOM 0 HA ALA A 17 3.066 -6.011 -16.740 1.00 0.00 H new ATOM 0 HB1 ALA A 17 2.881 -4.270 -18.501 1.00 0.00 H new ATOM 0 HB2 ALA A 17 1.941 -5.726 -18.907 1.00 0.00 H new ATOM 0 HB3 ALA A 17 1.112 -4.272 -18.300 1.00 0.00 H new ATOM 249 N GLU A 18 1.550 -3.178 -15.946 1.00 0.00 N ATOM 250 CA GLU A 18 1.680 -2.006 -15.082 1.00 0.00 C ATOM 251 C GLU A 18 0.439 -1.831 -14.209 1.00 0.00 C ATOM 252 O GLU A 18 -0.342 -0.900 -14.396 1.00 0.00 O ATOM 253 CB GLU A 18 1.911 -0.754 -15.931 1.00 0.00 C ATOM 254 CG GLU A 18 3.042 -0.909 -16.935 1.00 0.00 C ATOM 255 CD GLU A 18 3.759 0.398 -17.215 1.00 0.00 C ATOM 256 OE1 GLU A 18 3.098 1.354 -17.674 1.00 0.00 O ATOM 257 OE2 GLU A 18 4.984 0.465 -16.978 1.00 0.00 O ATOM 0 H GLU A 18 0.779 -3.133 -16.612 1.00 0.00 H new ATOM 0 HA GLU A 18 2.537 -2.156 -14.426 1.00 0.00 H new ATOM 0 HB2 GLU A 18 0.992 -0.510 -16.464 1.00 0.00 H new ATOM 0 HB3 GLU A 18 2.131 0.087 -15.273 1.00 0.00 H new ATOM 0 HG2 GLU A 18 3.759 -1.639 -16.559 1.00 0.00 H new ATOM 0 HG3 GLU A 18 2.642 -1.307 -17.868 1.00 0.00 H new ATOM 264 N ASP A 19 0.260 -2.759 -13.266 1.00 0.00 N ATOM 265 CA ASP A 19 -0.897 -2.733 -12.370 1.00 0.00 C ATOM 266 C ASP A 19 -0.567 -2.159 -10.988 1.00 0.00 C ATOM 267 O ASP A 19 0.495 -1.571 -10.784 1.00 0.00 O ATOM 268 CB ASP A 19 -1.479 -4.147 -12.247 1.00 0.00 C ATOM 269 CG ASP A 19 -0.960 -4.929 -11.053 1.00 0.00 C ATOM 270 OD1 ASP A 19 0.220 -4.757 -10.700 1.00 0.00 O ATOM 271 OD2 ASP A 19 -1.738 -5.717 -10.478 1.00 0.00 O ATOM 0 H ASP A 19 0.900 -3.536 -13.104 1.00 0.00 H new ATOM 0 HA ASP A 19 -1.638 -2.064 -12.808 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -2.565 -4.077 -12.178 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -1.253 -4.702 -13.157 1.00 0.00 H new ATOM 276 N ARG A 20 -1.493 -2.350 -10.040 1.00 0.00 N ATOM 277 CA ARG A 20 -1.317 -1.872 -8.670 1.00 0.00 C ATOM 278 C ARG A 20 -1.988 -2.822 -7.681 1.00 0.00 C ATOM 279 O ARG A 20 -3.211 -2.963 -7.680 1.00 0.00 O ATOM 280 CB ARG A 20 -1.905 -0.469 -8.496 1.00 0.00 C ATOM 281 CG ARG A 20 -0.949 0.525 -7.860 1.00 0.00 C ATOM 282 CD ARG A 20 -0.825 1.803 -8.672 1.00 0.00 C ATOM 283 NE ARG A 20 -0.523 2.949 -7.816 1.00 0.00 N ATOM 284 CZ ARG A 20 0.211 3.994 -8.191 1.00 0.00 C ATOM 285 NH1 ARG A 20 0.711 4.063 -9.419 1.00 0.00 N ATOM 286 NH2 ARG A 20 0.443 4.977 -7.333 1.00 0.00 N ATOM 0 H ARG A 20 -2.375 -2.835 -10.202 1.00 0.00 H new ATOM 0 HA ARG A 20 -0.246 -1.835 -8.470 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -2.211 -0.091 -9.471 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -2.804 -0.536 -7.884 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -1.295 0.767 -6.855 1.00 0.00 H new ATOM 0 HG3 ARG A 20 0.034 0.066 -7.756 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -0.039 1.687 -9.419 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -1.754 1.985 -9.212 1.00 0.00 H new ATOM 0 HE ARG A 20 -0.900 2.948 -6.868 1.00 0.00 H new ATOM 0 HH11 ARG A 20 0.534 3.311 -10.085 1.00 0.00 H new ATOM 0 HH12 ARG A 20 1.272 4.868 -9.697 1.00 0.00 H new ATOM 0 HH21 ARG A 20 0.060 4.931 -6.389 1.00 0.00 H new ATOM 0 HH22 ARG A 20 1.005 5.780 -7.617 1.00 0.00 H new ATOM 300 N VAL A 21 -1.193 -3.451 -6.824 1.00 0.00 N ATOM 301 CA VAL A 21 -1.723 -4.363 -5.815 1.00 0.00 C ATOM 302 C VAL A 21 -1.960 -3.647 -4.484 1.00 0.00 C ATOM 303 O VAL A 21 -1.598 -2.481 -4.323 1.00 0.00 O ATOM 304 CB VAL A 21 -0.769 -5.552 -5.578 1.00 0.00 C ATOM 305 CG1 VAL A 21 -0.470 -6.281 -6.877 1.00 0.00 C ATOM 306 CG2 VAL A 21 0.521 -5.084 -4.930 1.00 0.00 C ATOM 0 H VAL A 21 -0.178 -3.347 -6.807 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.674 -4.734 -6.197 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.267 -6.248 -4.903 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.205 -7.114 -6.680 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -1.399 -6.659 -7.304 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -0.001 -5.593 -7.581 1.00 0.00 H new ATOM 0 HG21 VAL A 21 1.179 -5.938 -4.772 1.00 0.00 H new ATOM 0 HG22 VAL A 21 1.014 -4.362 -5.581 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.298 -4.616 -3.971 1.00 0.00 H new ATOM 316 N THR A 22 -2.521 -4.371 -3.517 1.00 0.00 N ATOM 317 CA THR A 22 -2.746 -3.830 -2.181 1.00 0.00 C ATOM 318 C THR A 22 -2.015 -4.709 -1.176 1.00 0.00 C ATOM 319 O THR A 22 -2.325 -5.892 -1.041 1.00 0.00 O ATOM 320 CB THR A 22 -4.235 -3.769 -1.843 1.00 0.00 C ATOM 321 OG1 THR A 22 -4.934 -2.983 -2.791 1.00 0.00 O ATOM 322 CG2 THR A 22 -4.505 -3.190 -0.469 1.00 0.00 C ATOM 0 H THR A 22 -2.828 -5.336 -3.636 1.00 0.00 H new ATOM 0 HA THR A 22 -2.364 -2.810 -2.142 1.00 0.00 H new ATOM 0 HB THR A 22 -4.583 -4.802 -1.862 1.00 0.00 H new ATOM 0 HG1 THR A 22 -5.885 -2.958 -2.557 1.00 0.00 H new ATOM 0 HG21 THR A 22 -5.579 -3.172 -0.286 1.00 0.00 H new ATOM 0 HG22 THR A 22 -4.018 -3.806 0.287 1.00 0.00 H new ATOM 0 HG23 THR A 22 -4.112 -2.175 -0.418 1.00 0.00 H new ATOM 330 N ILE A 23 -1.007 -4.152 -0.516 1.00 0.00 N ATOM 331 CA ILE A 23 -0.211 -4.932 0.424 1.00 0.00 C ATOM 332 C ILE A 23 -0.042 -4.255 1.785 1.00 0.00 C ATOM 333 O ILE A 23 -0.024 -3.029 1.893 1.00 0.00 O ATOM 334 CB ILE A 23 1.192 -5.191 -0.159 1.00 0.00 C ATOM 335 CG1 ILE A 23 1.838 -3.869 -0.565 1.00 0.00 C ATOM 336 CG2 ILE A 23 1.126 -6.135 -1.353 1.00 0.00 C ATOM 337 CD1 ILE A 23 3.335 -3.959 -0.730 1.00 0.00 C ATOM 0 H ILE A 23 -0.724 -3.177 -0.612 1.00 0.00 H new ATOM 0 HA ILE A 23 -0.757 -5.863 0.577 1.00 0.00 H new ATOM 0 HB ILE A 23 1.800 -5.666 0.611 1.00 0.00 H new ATOM 0 HG12 ILE A 23 1.396 -3.530 -1.502 1.00 0.00 H new ATOM 0 HG13 ILE A 23 1.608 -3.114 0.187 1.00 0.00 H new ATOM 0 HG21 ILE A 23 2.130 -6.299 -1.743 1.00 0.00 H new ATOM 0 HG22 ILE A 23 0.698 -7.088 -1.041 1.00 0.00 H new ATOM 0 HG23 ILE A 23 0.502 -5.695 -2.131 1.00 0.00 H new ATOM 0 HD11 ILE A 23 3.728 -2.984 -1.019 1.00 0.00 H new ATOM 0 HD12 ILE A 23 3.787 -4.268 0.213 1.00 0.00 H new ATOM 0 HD13 ILE A 23 3.573 -4.690 -1.503 1.00 0.00 H new ATOM 349 N ASP A 24 0.124 -5.087 2.814 1.00 0.00 N ATOM 350 CA ASP A 24 0.346 -4.625 4.184 1.00 0.00 C ATOM 351 C ASP A 24 1.670 -5.207 4.678 1.00 0.00 C ATOM 352 O ASP A 24 1.869 -6.419 4.616 1.00 0.00 O ATOM 353 CB ASP A 24 -0.788 -5.080 5.109 1.00 0.00 C ATOM 354 CG ASP A 24 -1.091 -6.558 4.977 1.00 0.00 C ATOM 355 OD1 ASP A 24 -1.577 -6.972 3.904 1.00 0.00 O ATOM 356 OD2 ASP A 24 -0.842 -7.303 5.949 1.00 0.00 O ATOM 0 H ASP A 24 0.108 -6.103 2.720 1.00 0.00 H new ATOM 0 HA ASP A 24 0.374 -3.535 4.195 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -0.520 -4.859 6.142 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -1.688 -4.507 4.884 1.00 0.00 H new ATOM 361 N PHE A 25 2.590 -4.359 5.135 1.00 0.00 N ATOM 362 CA PHE A 25 3.888 -4.857 5.585 1.00 0.00 C ATOM 363 C PHE A 25 4.425 -4.117 6.804 1.00 0.00 C ATOM 364 O PHE A 25 3.892 -3.091 7.215 1.00 0.00 O ATOM 365 CB PHE A 25 4.901 -4.754 4.448 1.00 0.00 C ATOM 366 CG PHE A 25 5.289 -3.344 4.097 1.00 0.00 C ATOM 367 CD1 PHE A 25 6.085 -2.593 4.948 1.00 0.00 C ATOM 368 CD2 PHE A 25 4.845 -2.766 2.918 1.00 0.00 C ATOM 369 CE1 PHE A 25 6.432 -1.294 4.627 1.00 0.00 C ATOM 370 CE2 PHE A 25 5.187 -1.468 2.600 1.00 0.00 C ATOM 371 CZ PHE A 25 5.979 -0.731 3.452 1.00 0.00 C ATOM 0 H PHE A 25 2.466 -3.349 5.203 1.00 0.00 H new ATOM 0 HA PHE A 25 3.739 -5.896 5.879 1.00 0.00 H new ATOM 0 HB2 PHE A 25 5.798 -5.308 4.724 1.00 0.00 H new ATOM 0 HB3 PHE A 25 4.488 -5.237 3.563 1.00 0.00 H new ATOM 0 HD1 PHE A 25 6.438 -3.027 5.872 1.00 0.00 H new ATOM 0 HD2 PHE A 25 4.226 -3.337 2.242 1.00 0.00 H new ATOM 0 HE1 PHE A 25 7.057 -0.721 5.295 1.00 0.00 H new ATOM 0 HE2 PHE A 25 4.832 -1.028 1.680 1.00 0.00 H new ATOM 0 HZ PHE A 25 6.245 0.285 3.201 1.00 0.00 H new ATOM 381 N THR A 26 5.500 -4.664 7.363 1.00 0.00 N ATOM 382 CA THR A 26 6.151 -4.080 8.534 1.00 0.00 C ATOM 383 C THR A 26 7.646 -4.403 8.535 1.00 0.00 C ATOM 384 O THR A 26 8.034 -5.569 8.610 1.00 0.00 O ATOM 385 CB THR A 26 5.507 -4.607 9.817 1.00 0.00 C ATOM 386 OG1 THR A 26 4.099 -4.457 9.769 1.00 0.00 O ATOM 387 CG2 THR A 26 6.001 -3.911 11.067 1.00 0.00 C ATOM 0 H THR A 26 5.942 -5.517 7.022 1.00 0.00 H new ATOM 0 HA THR A 26 6.025 -2.998 8.490 1.00 0.00 H new ATOM 0 HB THR A 26 5.791 -5.658 9.871 1.00 0.00 H new ATOM 0 HG1 THR A 26 3.705 -4.801 10.598 1.00 0.00 H new ATOM 0 HG21 THR A 26 5.503 -4.334 11.940 1.00 0.00 H new ATOM 0 HG22 THR A 26 7.078 -4.051 11.160 1.00 0.00 H new ATOM 0 HG23 THR A 26 5.778 -2.846 11.003 1.00 0.00 H new ATOM 395 N GLY A 27 8.483 -3.370 8.445 1.00 0.00 N ATOM 396 CA GLY A 27 9.921 -3.584 8.434 1.00 0.00 C ATOM 397 C GLY A 27 10.717 -2.355 8.835 1.00 0.00 C ATOM 398 O GLY A 27 10.174 -1.262 8.950 1.00 0.00 O ATOM 0 H GLY A 27 8.193 -2.394 8.380 1.00 0.00 H new ATOM 0 HA2 GLY A 27 10.164 -4.402 9.112 1.00 0.00 H new ATOM 0 HA3 GLY A 27 10.227 -3.896 7.435 1.00 0.00 H new ATOM 402 N SER A 28 12.013 -2.551 9.058 1.00 0.00 N ATOM 403 CA SER A 28 12.907 -1.464 9.462 1.00 0.00 C ATOM 404 C SER A 28 13.883 -1.097 8.348 1.00 0.00 C ATOM 405 O SER A 28 14.045 -1.838 7.379 1.00 0.00 O ATOM 406 CB SER A 28 13.696 -1.882 10.705 1.00 0.00 C ATOM 407 OG SER A 28 13.284 -3.157 11.171 1.00 0.00 O ATOM 0 H SER A 28 12.472 -3.457 8.966 1.00 0.00 H new ATOM 0 HA SER A 28 12.293 -0.590 9.681 1.00 0.00 H new ATOM 0 HB2 SER A 28 14.761 -1.904 10.473 1.00 0.00 H new ATOM 0 HB3 SER A 28 13.557 -1.142 11.493 1.00 0.00 H new ATOM 0 HG SER A 28 13.806 -3.400 11.964 1.00 0.00 H new ATOM 413 N VAL A 29 14.543 0.049 8.510 1.00 0.00 N ATOM 414 CA VAL A 29 15.519 0.517 7.536 1.00 0.00 C ATOM 415 C VAL A 29 16.941 0.122 7.956 1.00 0.00 C ATOM 416 O VAL A 29 17.433 -0.929 7.548 1.00 0.00 O ATOM 417 CB VAL A 29 15.392 2.047 7.288 1.00 0.00 C ATOM 418 CG1 VAL A 29 15.229 2.823 8.589 1.00 0.00 C ATOM 419 CG2 VAL A 29 16.564 2.580 6.469 1.00 0.00 C ATOM 0 H VAL A 29 14.417 0.669 9.310 1.00 0.00 H new ATOM 0 HA VAL A 29 15.307 0.026 6.586 1.00 0.00 H new ATOM 0 HB VAL A 29 14.484 2.200 6.705 1.00 0.00 H new ATOM 0 HG11 VAL A 29 15.144 3.887 8.370 1.00 0.00 H new ATOM 0 HG12 VAL A 29 14.329 2.486 9.104 1.00 0.00 H new ATOM 0 HG13 VAL A 29 16.097 2.652 9.226 1.00 0.00 H new ATOM 0 HG21 VAL A 29 16.442 3.652 6.315 1.00 0.00 H new ATOM 0 HG22 VAL A 29 17.496 2.394 7.003 1.00 0.00 H new ATOM 0 HG23 VAL A 29 16.592 2.075 5.503 1.00 0.00 H new ATOM 429 N ASP A 30 17.596 0.940 8.773 1.00 0.00 N ATOM 430 CA ASP A 30 18.943 0.627 9.232 1.00 0.00 C ATOM 431 C ASP A 30 18.883 -0.071 10.586 1.00 0.00 C ATOM 432 O ASP A 30 19.658 0.237 11.493 1.00 0.00 O ATOM 433 CB ASP A 30 19.786 1.901 9.332 1.00 0.00 C ATOM 434 CG ASP A 30 19.127 2.965 10.187 1.00 0.00 C ATOM 435 OD1 ASP A 30 19.029 2.764 11.415 1.00 0.00 O ATOM 436 OD2 ASP A 30 18.710 4.001 9.627 1.00 0.00 O ATOM 0 H ASP A 30 17.219 1.818 9.128 1.00 0.00 H new ATOM 0 HA ASP A 30 19.411 -0.041 8.509 1.00 0.00 H new ATOM 0 HB2 ASP A 30 20.762 1.656 9.751 1.00 0.00 H new ATOM 0 HB3 ASP A 30 19.959 2.298 8.332 1.00 0.00 H new ATOM 441 N GLY A 31 17.947 -1.007 10.717 1.00 0.00 N ATOM 442 CA GLY A 31 17.784 -1.729 11.963 1.00 0.00 C ATOM 443 C GLY A 31 16.696 -1.131 12.839 1.00 0.00 C ATOM 444 O GLY A 31 16.343 -1.699 13.872 1.00 0.00 O ATOM 0 H GLY A 31 17.297 -1.278 9.979 1.00 0.00 H new ATOM 0 HA2 GLY A 31 17.543 -2.770 11.748 1.00 0.00 H new ATOM 0 HA3 GLY A 31 18.728 -1.726 12.508 1.00 0.00 H new ATOM 448 N GLU A 32 16.161 0.016 12.424 1.00 0.00 N ATOM 449 CA GLU A 32 15.106 0.688 13.176 1.00 0.00 C ATOM 450 C GLU A 32 13.983 1.130 12.243 1.00 0.00 C ATOM 451 O GLU A 32 14.185 1.964 11.360 1.00 0.00 O ATOM 452 CB GLU A 32 15.677 1.892 13.926 1.00 0.00 C ATOM 453 CG GLU A 32 16.879 1.552 14.791 1.00 0.00 C ATOM 454 CD GLU A 32 17.291 2.698 15.694 1.00 0.00 C ATOM 455 OE1 GLU A 32 16.516 3.038 16.613 1.00 0.00 O ATOM 456 OE2 GLU A 32 18.389 3.255 15.483 1.00 0.00 O ATOM 0 H GLU A 32 16.442 0.499 11.570 1.00 0.00 H new ATOM 0 HA GLU A 32 14.696 -0.015 13.901 1.00 0.00 H new ATOM 0 HB2 GLU A 32 15.963 2.657 13.204 1.00 0.00 H new ATOM 0 HB3 GLU A 32 14.897 2.322 14.554 1.00 0.00 H new ATOM 0 HG2 GLU A 32 16.647 0.679 15.401 1.00 0.00 H new ATOM 0 HG3 GLU A 32 17.718 1.280 14.150 1.00 0.00 H new ATOM 463 N GLU A 33 12.800 0.556 12.441 1.00 0.00 N ATOM 464 CA GLU A 33 11.646 0.871 11.620 1.00 0.00 C ATOM 465 C GLU A 33 11.295 2.341 11.720 1.00 0.00 C ATOM 466 O GLU A 33 10.952 2.844 12.790 1.00 0.00 O ATOM 467 CB GLU A 33 10.448 0.008 12.024 1.00 0.00 C ATOM 468 CG GLU A 33 10.118 0.070 13.507 1.00 0.00 C ATOM 469 CD GLU A 33 10.176 -1.290 14.174 1.00 0.00 C ATOM 470 OE1 GLU A 33 11.161 -2.023 13.943 1.00 0.00 O ATOM 471 OE2 GLU A 33 9.235 -1.626 14.923 1.00 0.00 O ATOM 0 H GLU A 33 12.620 -0.134 13.170 1.00 0.00 H new ATOM 0 HA GLU A 33 11.900 0.651 10.583 1.00 0.00 H new ATOM 0 HB2 GLU A 33 9.575 0.325 11.454 1.00 0.00 H new ATOM 0 HB3 GLU A 33 10.649 -1.027 11.749 1.00 0.00 H new ATOM 0 HG2 GLU A 33 10.816 0.744 14.003 1.00 0.00 H new ATOM 0 HG3 GLU A 33 9.121 0.492 13.636 1.00 0.00 H new ATOM 478 N PHE A 34 11.417 3.031 10.598 1.00 0.00 N ATOM 479 CA PHE A 34 11.149 4.468 10.528 1.00 0.00 C ATOM 480 C PHE A 34 9.661 4.782 10.363 1.00 0.00 C ATOM 481 O PHE A 34 8.816 4.201 11.045 1.00 0.00 O ATOM 482 CB PHE A 34 11.990 5.083 9.391 1.00 0.00 C ATOM 483 CG PHE A 34 11.508 4.779 7.991 1.00 0.00 C ATOM 484 CD1 PHE A 34 10.919 3.562 7.673 1.00 0.00 C ATOM 485 CD2 PHE A 34 11.650 5.728 6.987 1.00 0.00 C ATOM 486 CE1 PHE A 34 10.485 3.302 6.388 1.00 0.00 C ATOM 487 CE2 PHE A 34 11.217 5.469 5.700 1.00 0.00 C ATOM 488 CZ PHE A 34 10.634 4.257 5.402 1.00 0.00 C ATOM 0 H PHE A 34 11.703 2.618 9.710 1.00 0.00 H new ATOM 0 HA PHE A 34 11.440 4.918 11.477 1.00 0.00 H new ATOM 0 HB2 PHE A 34 12.012 6.165 9.523 1.00 0.00 H new ATOM 0 HB3 PHE A 34 13.016 4.729 9.489 1.00 0.00 H new ATOM 0 HD1 PHE A 34 10.799 2.811 8.439 1.00 0.00 H new ATOM 0 HD2 PHE A 34 12.105 6.681 7.215 1.00 0.00 H new ATOM 0 HE1 PHE A 34 10.029 2.351 6.154 1.00 0.00 H new ATOM 0 HE2 PHE A 34 11.336 6.216 4.929 1.00 0.00 H new ATOM 0 HZ PHE A 34 10.294 4.054 4.397 1.00 0.00 H new ATOM 498 N GLU A 35 9.352 5.684 9.451 1.00 0.00 N ATOM 499 CA GLU A 35 7.973 6.076 9.171 1.00 0.00 C ATOM 500 C GLU A 35 7.217 4.942 8.485 1.00 0.00 C ATOM 501 O GLU A 35 6.176 4.491 8.966 1.00 0.00 O ATOM 502 CB GLU A 35 7.952 7.319 8.277 1.00 0.00 C ATOM 503 CG GLU A 35 7.778 8.621 9.042 1.00 0.00 C ATOM 504 CD GLU A 35 6.456 9.300 8.739 1.00 0.00 C ATOM 505 OE1 GLU A 35 5.463 8.583 8.493 1.00 0.00 O ATOM 506 OE2 GLU A 35 6.414 10.549 8.747 1.00 0.00 O ATOM 0 H GLU A 35 10.045 6.169 8.881 1.00 0.00 H new ATOM 0 HA GLU A 35 7.483 6.301 10.119 1.00 0.00 H new ATOM 0 HB2 GLU A 35 8.882 7.363 7.710 1.00 0.00 H new ATOM 0 HB3 GLU A 35 7.142 7.222 7.554 1.00 0.00 H new ATOM 0 HG2 GLU A 35 7.844 8.422 10.112 1.00 0.00 H new ATOM 0 HG3 GLU A 35 8.596 9.297 8.793 1.00 0.00 H new ATOM 513 N GLY A 36 7.752 4.489 7.353 1.00 0.00 N ATOM 514 CA GLY A 36 7.125 3.414 6.606 1.00 0.00 C ATOM 515 C GLY A 36 7.422 2.044 7.183 1.00 0.00 C ATOM 516 O GLY A 36 7.216 1.032 6.517 1.00 0.00 O ATOM 0 H GLY A 36 8.612 4.850 6.940 1.00 0.00 H new ATOM 0 HA2 GLY A 36 6.046 3.570 6.590 1.00 0.00 H new ATOM 0 HA3 GLY A 36 7.467 3.449 5.572 1.00 0.00 H new ATOM 520 N GLY A 37 7.902 2.006 8.421 1.00 0.00 N ATOM 521 CA GLY A 37 8.212 0.741 9.051 1.00 0.00 C ATOM 522 C GLY A 37 7.002 -0.165 9.185 1.00 0.00 C ATOM 523 O GLY A 37 7.139 -1.344 9.511 1.00 0.00 O ATOM 0 H GLY A 37 8.081 2.829 8.997 1.00 0.00 H new ATOM 0 HA2 GLY A 37 8.979 0.230 8.470 1.00 0.00 H new ATOM 0 HA3 GLY A 37 8.632 0.927 10.040 1.00 0.00 H new ATOM 527 N LYS A 38 5.814 0.375 8.925 1.00 0.00 N ATOM 528 CA LYS A 38 4.588 -0.406 9.011 1.00 0.00 C ATOM 529 C LYS A 38 3.533 0.133 8.049 1.00 0.00 C ATOM 530 O LYS A 38 3.168 1.307 8.101 1.00 0.00 O ATOM 531 CB LYS A 38 4.043 -0.405 10.441 1.00 0.00 C ATOM 532 CG LYS A 38 3.804 0.988 11.004 1.00 0.00 C ATOM 533 CD LYS A 38 4.596 1.216 12.280 1.00 0.00 C ATOM 534 CE LYS A 38 6.077 1.396 11.992 1.00 0.00 C ATOM 535 NZ LYS A 38 6.686 2.448 12.853 1.00 0.00 N ATOM 0 H LYS A 38 5.677 1.349 8.654 1.00 0.00 H new ATOM 0 HA LYS A 38 4.825 -1.432 8.729 1.00 0.00 H new ATOM 0 HB2 LYS A 38 3.106 -0.962 10.464 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.744 -0.933 11.088 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.085 1.735 10.262 1.00 0.00 H new ATOM 0 HG3 LYS A 38 2.741 1.123 11.205 1.00 0.00 H new ATOM 0 HD2 LYS A 38 4.214 2.098 12.793 1.00 0.00 H new ATOM 0 HD3 LYS A 38 4.455 0.370 12.953 1.00 0.00 H new ATOM 0 HE2 LYS A 38 6.596 0.451 12.152 1.00 0.00 H new ATOM 0 HE3 LYS A 38 6.213 1.661 10.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 7.484 2.888 12.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 5.973 3.173 13.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 7.027 2.019 13.737 1.00 0.00 H new ATOM 549 N ALA A 39 3.047 -0.742 7.179 1.00 0.00 N ATOM 550 CA ALA A 39 2.033 -0.377 6.203 1.00 0.00 C ATOM 551 C ALA A 39 0.928 -1.423 6.178 1.00 0.00 C ATOM 552 O ALA A 39 1.183 -2.612 6.369 1.00 0.00 O ATOM 553 CB ALA A 39 2.651 -0.229 4.820 1.00 0.00 C ATOM 0 H ALA A 39 3.343 -1.717 7.131 1.00 0.00 H new ATOM 0 HA ALA A 39 1.603 0.582 6.492 1.00 0.00 H new ATOM 0 HB1 ALA A 39 1.877 0.044 4.103 1.00 0.00 H new ATOM 0 HB2 ALA A 39 3.414 0.549 4.844 1.00 0.00 H new ATOM 0 HB3 ALA A 39 3.105 -1.174 4.521 1.00 0.00 H new ATOM 559 N SER A 40 -0.298 -0.977 5.951 1.00 0.00 N ATOM 560 CA SER A 40 -1.436 -1.882 5.910 1.00 0.00 C ATOM 561 C SER A 40 -2.060 -1.901 4.523 1.00 0.00 C ATOM 562 O SER A 40 -2.088 -2.931 3.852 1.00 0.00 O ATOM 563 CB SER A 40 -2.481 -1.474 6.949 1.00 0.00 C ATOM 564 OG SER A 40 -1.904 -0.673 7.966 1.00 0.00 O ATOM 0 H SER A 40 -0.530 0.004 5.793 1.00 0.00 H new ATOM 0 HA SER A 40 -1.080 -2.885 6.144 1.00 0.00 H new ATOM 0 HB2 SER A 40 -3.287 -0.925 6.462 1.00 0.00 H new ATOM 0 HB3 SER A 40 -2.925 -2.365 7.392 1.00 0.00 H new ATOM 0 HG SER A 40 -2.593 -0.424 8.617 1.00 0.00 H new ATOM 570 N ASP A 41 -2.507 -0.744 4.067 1.00 0.00 N ATOM 571 CA ASP A 41 -3.066 -0.600 2.741 1.00 0.00 C ATOM 572 C ASP A 41 -2.032 0.060 1.847 1.00 0.00 C ATOM 573 O ASP A 41 -2.192 1.216 1.453 1.00 0.00 O ATOM 574 CB ASP A 41 -4.346 0.236 2.780 1.00 0.00 C ATOM 575 CG ASP A 41 -4.130 1.593 3.419 1.00 0.00 C ATOM 576 OD1 ASP A 41 -3.744 1.635 4.607 1.00 0.00 O ATOM 577 OD2 ASP A 41 -4.345 2.613 2.733 1.00 0.00 O ATOM 0 H ASP A 41 -2.491 0.120 4.608 1.00 0.00 H new ATOM 0 HA ASP A 41 -3.323 -1.583 2.347 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -4.720 0.371 1.765 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -5.114 -0.305 3.333 1.00 0.00 H new ATOM 582 N PHE A 42 -0.977 -0.662 1.519 1.00 0.00 N ATOM 583 CA PHE A 42 0.062 -0.109 0.661 1.00 0.00 C ATOM 584 C PHE A 42 -0.220 -0.462 -0.789 1.00 0.00 C ATOM 585 O PHE A 42 -0.023 -1.600 -1.214 1.00 0.00 O ATOM 586 CB PHE A 42 1.451 -0.612 1.072 1.00 0.00 C ATOM 587 CG PHE A 42 2.578 0.128 0.396 1.00 0.00 C ATOM 588 CD1 PHE A 42 2.548 1.508 0.304 1.00 0.00 C ATOM 589 CD2 PHE A 42 3.658 -0.553 -0.151 1.00 0.00 C ATOM 590 CE1 PHE A 42 3.571 2.199 -0.316 1.00 0.00 C ATOM 591 CE2 PHE A 42 4.683 0.134 -0.775 1.00 0.00 C ATOM 592 CZ PHE A 42 4.639 1.511 -0.857 1.00 0.00 C ATOM 0 H PHE A 42 -0.815 -1.621 1.827 1.00 0.00 H new ATOM 0 HA PHE A 42 0.054 0.975 0.774 1.00 0.00 H new ATOM 0 HB2 PHE A 42 1.559 -0.516 2.152 1.00 0.00 H new ATOM 0 HB3 PHE A 42 1.530 -1.673 0.837 1.00 0.00 H new ATOM 0 HD1 PHE A 42 1.714 2.052 0.722 1.00 0.00 H new ATOM 0 HD2 PHE A 42 3.698 -1.630 -0.088 1.00 0.00 H new ATOM 0 HE1 PHE A 42 3.535 3.277 -0.378 1.00 0.00 H new ATOM 0 HE2 PHE A 42 5.517 -0.406 -1.198 1.00 0.00 H new ATOM 0 HZ PHE A 42 5.439 2.050 -1.344 1.00 0.00 H new ATOM 602 N VAL A 43 -0.687 0.523 -1.544 1.00 0.00 N ATOM 603 CA VAL A 43 -1.003 0.330 -2.944 1.00 0.00 C ATOM 604 C VAL A 43 0.267 0.374 -3.790 1.00 0.00 C ATOM 605 O VAL A 43 0.772 1.444 -4.124 1.00 0.00 O ATOM 606 CB VAL A 43 -1.999 1.405 -3.415 1.00 0.00 C ATOM 607 CG1 VAL A 43 -1.380 2.795 -3.347 1.00 0.00 C ATOM 608 CG2 VAL A 43 -2.508 1.098 -4.816 1.00 0.00 C ATOM 0 H VAL A 43 -0.855 1.469 -1.203 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.462 -0.651 -3.066 1.00 0.00 H new ATOM 0 HB VAL A 43 -2.853 1.390 -2.738 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -2.106 3.534 -3.686 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -1.091 3.015 -2.319 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -0.499 2.833 -3.987 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -3.210 1.872 -5.126 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.668 1.071 -5.510 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -3.011 0.131 -4.817 1.00 0.00 H new ATOM 618 N LEU A 44 0.786 -0.802 -4.123 1.00 0.00 N ATOM 619 CA LEU A 44 2.005 -0.897 -4.914 1.00 0.00 C ATOM 620 C LEU A 44 1.689 -0.927 -6.399 1.00 0.00 C ATOM 621 O LEU A 44 0.787 -1.638 -6.833 1.00 0.00 O ATOM 622 CB LEU A 44 2.795 -2.143 -4.520 1.00 0.00 C ATOM 623 CG LEU A 44 4.267 -1.896 -4.196 1.00 0.00 C ATOM 624 CD1 LEU A 44 5.025 -3.207 -4.151 1.00 0.00 C ATOM 625 CD2 LEU A 44 4.895 -0.958 -5.217 1.00 0.00 C ATOM 0 H LEU A 44 0.382 -1.700 -3.858 1.00 0.00 H new ATOM 0 HA LEU A 44 2.610 -0.013 -4.711 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.318 -2.598 -3.652 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.733 -2.866 -5.333 1.00 0.00 H new ATOM 0 HG LEU A 44 4.325 -1.424 -3.215 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.072 -3.014 -3.919 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.596 -3.849 -3.382 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.953 -3.702 -5.119 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.943 -0.796 -4.966 1.00 0.00 H new ATOM 0 HD22 LEU A 44 4.824 -1.401 -6.210 1.00 0.00 H new ATOM 0 HD23 LEU A 44 4.368 -0.004 -5.207 1.00 0.00 H new ATOM 637 N ALA A 45 2.450 -0.154 -7.170 1.00 0.00 N ATOM 638 CA ALA A 45 2.262 -0.082 -8.616 1.00 0.00 C ATOM 639 C ALA A 45 3.273 -0.955 -9.351 1.00 0.00 C ATOM 640 O ALA A 45 4.444 -0.596 -9.473 1.00 0.00 O ATOM 641 CB ALA A 45 2.382 1.358 -9.088 1.00 0.00 C ATOM 0 H ALA A 45 3.205 0.433 -6.816 1.00 0.00 H new ATOM 0 HA ALA A 45 1.263 -0.455 -8.843 1.00 0.00 H new ATOM 0 HB1 ALA A 45 2.240 1.400 -10.168 1.00 0.00 H new ATOM 0 HB2 ALA A 45 1.621 1.966 -8.598 1.00 0.00 H new ATOM 0 HB3 ALA A 45 3.371 1.742 -8.837 1.00 0.00 H new ATOM 647 N MET A 46 2.815 -2.099 -9.846 1.00 0.00 N ATOM 648 CA MET A 46 3.678 -3.013 -10.574 1.00 0.00 C ATOM 649 C MET A 46 4.070 -2.435 -11.926 1.00 0.00 C ATOM 650 O MET A 46 3.477 -2.769 -12.952 1.00 0.00 O ATOM 651 CB MET A 46 2.981 -4.354 -10.752 1.00 0.00 C ATOM 652 CG MET A 46 3.696 -5.488 -10.055 1.00 0.00 C ATOM 653 SD MET A 46 5.040 -6.170 -11.042 1.00 0.00 S ATOM 654 CE MET A 46 6.102 -6.817 -9.756 1.00 0.00 C ATOM 0 H MET A 46 1.849 -2.413 -9.755 1.00 0.00 H new ATOM 0 HA MET A 46 4.590 -3.160 -9.995 1.00 0.00 H new ATOM 0 HB2 MET A 46 1.964 -4.282 -10.367 1.00 0.00 H new ATOM 0 HB3 MET A 46 2.905 -4.579 -11.816 1.00 0.00 H new ATOM 0 HG2 MET A 46 4.093 -5.133 -9.104 1.00 0.00 H new ATOM 0 HG3 MET A 46 2.981 -6.278 -9.827 1.00 0.00 H new ATOM 0 HE1 MET A 46 6.956 -6.153 -9.621 1.00 0.00 H new ATOM 0 HE2 MET A 46 5.543 -6.884 -8.822 1.00 0.00 H new ATOM 0 HE3 MET A 46 6.455 -7.809 -10.040 1.00 0.00 H new ATOM 664 N GLY A 47 5.075 -1.569 -11.903 1.00 0.00 N ATOM 665 CA GLY A 47 5.556 -0.942 -13.118 1.00 0.00 C ATOM 666 C GLY A 47 5.097 0.495 -13.257 1.00 0.00 C ATOM 667 O GLY A 47 4.302 0.820 -14.140 1.00 0.00 O ATOM 0 H GLY A 47 5.569 -1.288 -11.056 1.00 0.00 H new ATOM 0 HA2 GLY A 47 6.645 -0.974 -13.131 1.00 0.00 H new ATOM 0 HA3 GLY A 47 5.210 -1.514 -13.979 1.00 0.00 H new ATOM 671 N GLN A 48 5.599 1.359 -12.382 1.00 0.00 N ATOM 672 CA GLN A 48 5.241 2.771 -12.408 1.00 0.00 C ATOM 673 C GLN A 48 6.491 3.637 -12.525 1.00 0.00 C ATOM 674 O GLN A 48 6.735 4.256 -13.560 1.00 0.00 O ATOM 675 CB GLN A 48 4.456 3.142 -11.149 1.00 0.00 C ATOM 676 CG GLN A 48 3.891 4.551 -11.178 1.00 0.00 C ATOM 677 CD GLN A 48 4.771 5.544 -10.445 1.00 0.00 C ATOM 678 OE1 GLN A 48 5.447 5.196 -9.478 1.00 0.00 O ATOM 679 NE2 GLN A 48 4.766 6.790 -10.904 1.00 0.00 N ATOM 0 H GLN A 48 6.256 1.105 -11.645 1.00 0.00 H new ATOM 0 HA GLN A 48 4.612 2.952 -13.279 1.00 0.00 H new ATOM 0 HB2 GLN A 48 3.637 2.434 -11.019 1.00 0.00 H new ATOM 0 HB3 GLN A 48 5.107 3.038 -10.281 1.00 0.00 H new ATOM 0 HG2 GLN A 48 3.773 4.870 -12.213 1.00 0.00 H new ATOM 0 HG3 GLN A 48 2.898 4.550 -10.729 1.00 0.00 H new ATOM 0 HE21 GLN A 48 4.190 7.035 -11.709 1.00 0.00 H new ATOM 0 HE22 GLN A 48 5.338 7.503 -10.451 1.00 0.00 H new ATOM 688 N GLY A 49 7.285 3.666 -11.460 1.00 0.00 N ATOM 689 CA GLY A 49 8.507 4.448 -11.465 1.00 0.00 C ATOM 690 C GLY A 49 9.728 3.591 -11.729 1.00 0.00 C ATOM 691 O GLY A 49 10.482 3.840 -12.670 1.00 0.00 O ATOM 0 H GLY A 49 7.104 3.161 -10.592 1.00 0.00 H new ATOM 0 HA2 GLY A 49 8.437 5.224 -12.227 1.00 0.00 H new ATOM 0 HA3 GLY A 49 8.619 4.952 -10.505 1.00 0.00 H new ATOM 695 N ARG A 50 9.918 2.574 -10.896 1.00 0.00 N ATOM 696 CA ARG A 50 11.049 1.665 -11.034 1.00 0.00 C ATOM 697 C ARG A 50 10.981 0.569 -9.978 1.00 0.00 C ATOM 698 O ARG A 50 11.813 0.512 -9.070 1.00 0.00 O ATOM 699 CB ARG A 50 12.370 2.430 -10.918 1.00 0.00 C ATOM 700 CG ARG A 50 12.559 3.121 -9.578 1.00 0.00 C ATOM 701 CD ARG A 50 13.989 2.977 -9.072 1.00 0.00 C ATOM 702 NE ARG A 50 14.971 3.334 -10.095 1.00 0.00 N ATOM 703 CZ ARG A 50 15.153 4.571 -10.549 1.00 0.00 C ATOM 704 NH1 ARG A 50 14.437 5.578 -10.062 1.00 0.00 N ATOM 705 NH2 ARG A 50 16.061 4.802 -11.487 1.00 0.00 N ATOM 0 H ARG A 50 9.300 2.358 -10.114 1.00 0.00 H new ATOM 0 HA ARG A 50 11.001 1.204 -12.020 1.00 0.00 H new ATOM 0 HB2 ARG A 50 13.196 1.738 -11.080 1.00 0.00 H new ATOM 0 HB3 ARG A 50 12.419 3.176 -11.712 1.00 0.00 H new ATOM 0 HG2 ARG A 50 12.311 4.178 -9.674 1.00 0.00 H new ATOM 0 HG3 ARG A 50 11.869 2.697 -8.848 1.00 0.00 H new ATOM 0 HD2 ARG A 50 14.130 3.612 -8.197 1.00 0.00 H new ATOM 0 HD3 ARG A 50 14.158 1.949 -8.750 1.00 0.00 H new ATOM 0 HE ARG A 50 15.551 2.590 -10.484 1.00 0.00 H new ATOM 0 HH11 ARG A 50 13.742 5.405 -9.335 1.00 0.00 H new ATOM 0 HH12 ARG A 50 14.582 6.524 -10.415 1.00 0.00 H new ATOM 0 HH21 ARG A 50 16.618 4.032 -11.859 1.00 0.00 H new ATOM 0 HH22 ARG A 50 16.203 5.749 -11.837 1.00 0.00 H new ATOM 719 N MET A 51 9.983 -0.303 -10.101 1.00 0.00 N ATOM 720 CA MET A 51 9.802 -1.397 -9.153 1.00 0.00 C ATOM 721 C MET A 51 11.119 -2.121 -8.900 1.00 0.00 C ATOM 722 O MET A 51 11.634 -2.822 -9.772 1.00 0.00 O ATOM 723 CB MET A 51 8.753 -2.384 -9.666 1.00 0.00 C ATOM 724 CG MET A 51 8.143 -3.244 -8.570 1.00 0.00 C ATOM 725 SD MET A 51 6.483 -2.713 -8.112 1.00 0.00 S ATOM 726 CE MET A 51 6.713 -0.940 -8.020 1.00 0.00 C ATOM 0 H MET A 51 9.288 -0.273 -10.847 1.00 0.00 H new ATOM 0 HA MET A 51 9.455 -0.971 -8.212 1.00 0.00 H new ATOM 0 HB2 MET A 51 7.959 -1.830 -10.167 1.00 0.00 H new ATOM 0 HB3 MET A 51 9.210 -3.032 -10.414 1.00 0.00 H new ATOM 0 HG2 MET A 51 8.109 -4.281 -8.904 1.00 0.00 H new ATOM 0 HG3 MET A 51 8.786 -3.214 -7.690 1.00 0.00 H new ATOM 0 HE1 MET A 51 5.786 -0.469 -7.694 1.00 0.00 H new ATOM 0 HE2 MET A 51 7.506 -0.712 -7.307 1.00 0.00 H new ATOM 0 HE3 MET A 51 6.988 -0.557 -9.003 1.00 0.00 H new ATOM 736 N ILE A 52 11.652 -1.957 -7.695 1.00 0.00 N ATOM 737 CA ILE A 52 12.904 -2.607 -7.321 1.00 0.00 C ATOM 738 C ILE A 52 12.707 -4.114 -7.204 1.00 0.00 C ATOM 739 O ILE A 52 11.580 -4.588 -7.065 1.00 0.00 O ATOM 740 CB ILE A 52 13.485 -2.068 -5.989 1.00 0.00 C ATOM 741 CG1 ILE A 52 12.379 -1.540 -5.069 1.00 0.00 C ATOM 742 CG2 ILE A 52 14.510 -0.979 -6.262 1.00 0.00 C ATOM 743 CD1 ILE A 52 12.868 -1.164 -3.687 1.00 0.00 C ATOM 0 H ILE A 52 11.239 -1.381 -6.961 1.00 0.00 H new ATOM 0 HA ILE A 52 13.617 -2.379 -8.113 1.00 0.00 H new ATOM 0 HB ILE A 52 13.976 -2.897 -5.479 1.00 0.00 H new ATOM 0 HG12 ILE A 52 11.919 -0.667 -5.532 1.00 0.00 H new ATOM 0 HG13 ILE A 52 11.602 -2.299 -4.976 1.00 0.00 H new ATOM 0 HG21 ILE A 52 14.909 -0.610 -5.317 1.00 0.00 H new ATOM 0 HG22 ILE A 52 15.322 -1.386 -6.865 1.00 0.00 H new ATOM 0 HG23 ILE A 52 14.035 -0.159 -6.800 1.00 0.00 H new ATOM 0 HD11 ILE A 52 12.031 -0.799 -3.092 1.00 0.00 H new ATOM 0 HD12 ILE A 52 13.302 -2.039 -3.204 1.00 0.00 H new ATOM 0 HD13 ILE A 52 13.624 -0.383 -3.768 1.00 0.00 H new ATOM 755 N PRO A 53 13.801 -4.894 -7.242 1.00 0.00 N ATOM 756 CA PRO A 53 13.725 -6.350 -7.123 1.00 0.00 C ATOM 757 C PRO A 53 13.062 -6.768 -5.817 1.00 0.00 C ATOM 758 O PRO A 53 12.555 -7.881 -5.694 1.00 0.00 O ATOM 759 CB PRO A 53 15.190 -6.803 -7.158 1.00 0.00 C ATOM 760 CG PRO A 53 15.988 -5.579 -6.858 1.00 0.00 C ATOM 761 CD PRO A 53 15.187 -4.423 -7.383 1.00 0.00 C ATOM 0 HA PRO A 53 13.124 -6.797 -7.915 1.00 0.00 H new ATOM 0 HB2 PRO A 53 15.378 -7.585 -6.422 1.00 0.00 H new ATOM 0 HB3 PRO A 53 15.451 -7.214 -8.133 1.00 0.00 H new ATOM 0 HG2 PRO A 53 16.161 -5.479 -5.786 1.00 0.00 H new ATOM 0 HG3 PRO A 53 16.967 -5.625 -7.336 1.00 0.00 H new ATOM 0 HD2 PRO A 53 15.365 -3.514 -6.809 1.00 0.00 H new ATOM 0 HD3 PRO A 53 15.434 -4.198 -8.421 1.00 0.00 H new ATOM 769 N GLY A 54 13.063 -5.861 -4.846 1.00 0.00 N ATOM 770 CA GLY A 54 12.454 -6.142 -3.566 1.00 0.00 C ATOM 771 C GLY A 54 10.952 -6.290 -3.667 1.00 0.00 C ATOM 772 O GLY A 54 10.407 -7.366 -3.412 1.00 0.00 O ATOM 0 H GLY A 54 13.478 -4.933 -4.927 1.00 0.00 H new ATOM 0 HA2 GLY A 54 12.881 -7.057 -3.156 1.00 0.00 H new ATOM 0 HA3 GLY A 54 12.692 -5.339 -2.868 1.00 0.00 H new ATOM 776 N PHE A 55 10.283 -5.210 -4.049 1.00 0.00 N ATOM 777 CA PHE A 55 8.843 -5.222 -4.189 1.00 0.00 C ATOM 778 C PHE A 55 8.434 -6.076 -5.379 1.00 0.00 C ATOM 779 O PHE A 55 7.522 -6.898 -5.289 1.00 0.00 O ATOM 780 CB PHE A 55 8.312 -3.799 -4.390 1.00 0.00 C ATOM 781 CG PHE A 55 8.226 -2.964 -3.138 1.00 0.00 C ATOM 782 CD1 PHE A 55 7.374 -3.315 -2.100 1.00 0.00 C ATOM 783 CD2 PHE A 55 8.991 -1.815 -3.007 1.00 0.00 C ATOM 784 CE1 PHE A 55 7.288 -2.538 -0.963 1.00 0.00 C ATOM 785 CE2 PHE A 55 8.908 -1.035 -1.869 1.00 0.00 C ATOM 786 CZ PHE A 55 8.057 -1.399 -0.847 1.00 0.00 C ATOM 0 H PHE A 55 10.721 -4.315 -4.267 1.00 0.00 H new ATOM 0 HA PHE A 55 8.419 -5.641 -3.277 1.00 0.00 H new ATOM 0 HB2 PHE A 55 8.954 -3.286 -5.106 1.00 0.00 H new ATOM 0 HB3 PHE A 55 7.320 -3.858 -4.837 1.00 0.00 H new ATOM 0 HD1 PHE A 55 6.771 -4.207 -2.183 1.00 0.00 H new ATOM 0 HD2 PHE A 55 9.660 -1.526 -3.804 1.00 0.00 H new ATOM 0 HE1 PHE A 55 6.619 -2.822 -0.164 1.00 0.00 H new ATOM 0 HE2 PHE A 55 9.509 -0.142 -1.780 1.00 0.00 H new ATOM 0 HZ PHE A 55 7.993 -0.792 0.044 1.00 0.00 H new ATOM 796 N GLU A 56 9.122 -5.868 -6.494 1.00 0.00 N ATOM 797 CA GLU A 56 8.848 -6.608 -7.717 1.00 0.00 C ATOM 798 C GLU A 56 8.876 -8.113 -7.466 1.00 0.00 C ATOM 799 O GLU A 56 8.294 -8.882 -8.225 1.00 0.00 O ATOM 800 CB GLU A 56 9.867 -6.234 -8.794 1.00 0.00 C ATOM 801 CG GLU A 56 9.520 -6.763 -10.176 1.00 0.00 C ATOM 802 CD GLU A 56 10.716 -7.357 -10.892 1.00 0.00 C ATOM 803 OE1 GLU A 56 11.439 -8.163 -10.271 1.00 0.00 O ATOM 804 OE2 GLU A 56 10.930 -7.016 -12.074 1.00 0.00 O ATOM 0 H GLU A 56 9.878 -5.188 -6.576 1.00 0.00 H new ATOM 0 HA GLU A 56 7.849 -6.341 -8.061 1.00 0.00 H new ATOM 0 HB2 GLU A 56 9.950 -5.148 -8.841 1.00 0.00 H new ATOM 0 HB3 GLU A 56 10.846 -6.616 -8.504 1.00 0.00 H new ATOM 0 HG2 GLU A 56 8.742 -7.521 -10.086 1.00 0.00 H new ATOM 0 HG3 GLU A 56 9.107 -5.953 -10.777 1.00 0.00 H new ATOM 811 N ASP A 57 9.563 -8.527 -6.403 1.00 0.00 N ATOM 812 CA ASP A 57 9.664 -9.944 -6.066 1.00 0.00 C ATOM 813 C ASP A 57 8.418 -10.445 -5.338 1.00 0.00 C ATOM 814 O ASP A 57 7.600 -11.161 -5.915 1.00 0.00 O ATOM 815 CB ASP A 57 10.907 -10.199 -5.209 1.00 0.00 C ATOM 816 CG ASP A 57 11.084 -11.667 -4.869 1.00 0.00 C ATOM 817 OD1 ASP A 57 11.275 -12.473 -5.804 1.00 0.00 O ATOM 818 OD2 ASP A 57 11.031 -12.008 -3.669 1.00 0.00 O ATOM 0 H ASP A 57 10.056 -7.904 -5.763 1.00 0.00 H new ATOM 0 HA ASP A 57 9.749 -10.497 -7.002 1.00 0.00 H new ATOM 0 HB2 ASP A 57 11.790 -9.843 -5.739 1.00 0.00 H new ATOM 0 HB3 ASP A 57 10.834 -9.622 -4.287 1.00 0.00 H new ATOM 823 N GLY A 58 8.290 -10.094 -4.057 1.00 0.00 N ATOM 824 CA GLY A 58 7.157 -10.551 -3.273 1.00 0.00 C ATOM 825 C GLY A 58 5.848 -9.999 -3.780 1.00 0.00 C ATOM 826 O GLY A 58 4.923 -10.748 -4.095 1.00 0.00 O ATOM 0 H GLY A 58 8.950 -9.503 -3.552 1.00 0.00 H new ATOM 0 HA2 GLY A 58 7.121 -11.640 -3.292 1.00 0.00 H new ATOM 0 HA3 GLY A 58 7.295 -10.255 -2.233 1.00 0.00 H new ATOM 830 N ILE A 59 5.781 -8.683 -3.859 1.00 0.00 N ATOM 831 CA ILE A 59 4.610 -7.981 -4.328 1.00 0.00 C ATOM 832 C ILE A 59 4.515 -8.046 -5.840 1.00 0.00 C ATOM 833 O ILE A 59 4.081 -7.104 -6.504 1.00 0.00 O ATOM 834 CB ILE A 59 4.662 -6.520 -3.850 1.00 0.00 C ATOM 835 CG1 ILE A 59 5.086 -6.460 -2.379 1.00 0.00 C ATOM 836 CG2 ILE A 59 3.316 -5.852 -4.037 1.00 0.00 C ATOM 837 CD1 ILE A 59 6.576 -6.543 -2.156 1.00 0.00 C ATOM 0 H ILE A 59 6.550 -8.068 -3.595 1.00 0.00 H new ATOM 0 HA ILE A 59 3.721 -8.459 -3.917 1.00 0.00 H new ATOM 0 HB ILE A 59 5.398 -5.985 -4.449 1.00 0.00 H new ATOM 0 HG12 ILE A 59 4.717 -5.531 -1.945 1.00 0.00 H new ATOM 0 HG13 ILE A 59 4.604 -7.277 -1.841 1.00 0.00 H new ATOM 0 HG21 ILE A 59 3.372 -4.819 -3.693 1.00 0.00 H new ATOM 0 HG22 ILE A 59 3.045 -5.869 -5.093 1.00 0.00 H new ATOM 0 HG23 ILE A 59 2.561 -6.386 -3.460 1.00 0.00 H new ATOM 0 HD11 ILE A 59 6.787 -6.493 -1.088 1.00 0.00 H new ATOM 0 HD12 ILE A 59 6.952 -7.484 -2.557 1.00 0.00 H new ATOM 0 HD13 ILE A 59 7.067 -5.711 -2.662 1.00 0.00 H new ATOM 849 N LYS A 60 4.857 -9.217 -6.346 1.00 0.00 N ATOM 850 CA LYS A 60 4.740 -9.482 -7.766 1.00 0.00 C ATOM 851 C LYS A 60 3.317 -9.092 -8.147 1.00 0.00 C ATOM 852 O LYS A 60 3.075 -8.334 -9.086 1.00 0.00 O ATOM 853 CB LYS A 60 4.988 -10.962 -8.070 1.00 0.00 C ATOM 854 CG LYS A 60 6.361 -11.247 -8.653 1.00 0.00 C ATOM 855 CD LYS A 60 6.364 -11.112 -10.169 1.00 0.00 C ATOM 856 CE LYS A 60 7.676 -10.532 -10.674 1.00 0.00 C ATOM 857 NZ LYS A 60 7.687 -10.387 -12.157 1.00 0.00 N ATOM 0 H LYS A 60 5.217 -9.997 -5.796 1.00 0.00 H new ATOM 0 HA LYS A 60 5.479 -8.917 -8.334 1.00 0.00 H new ATOM 0 HB2 LYS A 60 4.867 -11.537 -7.152 1.00 0.00 H new ATOM 0 HB3 LYS A 60 4.228 -11.312 -8.768 1.00 0.00 H new ATOM 0 HG2 LYS A 60 7.089 -10.559 -8.224 1.00 0.00 H new ATOM 0 HG3 LYS A 60 6.673 -12.254 -8.376 1.00 0.00 H new ATOM 0 HD2 LYS A 60 6.198 -12.089 -10.623 1.00 0.00 H new ATOM 0 HD3 LYS A 60 5.538 -10.472 -10.480 1.00 0.00 H new ATOM 0 HE2 LYS A 60 7.843 -9.559 -10.213 1.00 0.00 H new ATOM 0 HE3 LYS A 60 8.500 -11.176 -10.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 8.599 -9.989 -12.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 7.553 -11.319 -12.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 6.917 -9.752 -12.449 1.00 0.00 H new ATOM 871 N GLY A 61 2.391 -9.674 -7.395 1.00 0.00 N ATOM 872 CA GLY A 61 0.977 -9.472 -7.604 1.00 0.00 C ATOM 873 C GLY A 61 0.359 -10.732 -8.146 1.00 0.00 C ATOM 874 O GLY A 61 -0.468 -10.711 -9.058 1.00 0.00 O ATOM 0 H GLY A 61 2.609 -10.301 -6.621 1.00 0.00 H new ATOM 0 HA2 GLY A 61 0.497 -9.195 -6.666 1.00 0.00 H new ATOM 0 HA3 GLY A 61 0.816 -8.648 -8.300 1.00 0.00 H new ATOM 878 N HIS A 62 0.795 -11.844 -7.571 1.00 0.00 N ATOM 879 CA HIS A 62 0.319 -13.164 -7.984 1.00 0.00 C ATOM 880 C HIS A 62 -0.159 -14.000 -6.798 1.00 0.00 C ATOM 881 O HIS A 62 -0.331 -15.212 -6.915 1.00 0.00 O ATOM 882 CB HIS A 62 1.422 -13.915 -8.739 1.00 0.00 C ATOM 883 CG HIS A 62 2.759 -13.909 -8.055 1.00 0.00 C ATOM 884 ND1 HIS A 62 3.907 -14.391 -8.651 1.00 0.00 N ATOM 885 CD2 HIS A 62 3.134 -13.485 -6.824 1.00 0.00 C ATOM 886 CE1 HIS A 62 4.925 -14.264 -7.820 1.00 0.00 C ATOM 887 NE2 HIS A 62 4.483 -13.717 -6.704 1.00 0.00 N ATOM 0 H HIS A 62 1.479 -11.862 -6.815 1.00 0.00 H new ATOM 0 HA HIS A 62 -0.534 -13.007 -8.644 1.00 0.00 H new ATOM 0 HB2 HIS A 62 1.107 -14.948 -8.884 1.00 0.00 H new ATOM 0 HB3 HIS A 62 1.533 -13.473 -9.729 1.00 0.00 H new ATOM 0 HD2 HIS A 62 2.491 -13.046 -6.075 1.00 0.00 H new ATOM 0 HE1 HIS A 62 5.945 -14.558 -8.020 1.00 0.00 H new ATOM 0 HE2 HIS A 62 5.051 -13.501 -5.885 1.00 0.00 H new ATOM 895 N LYS A 63 -0.379 -13.349 -5.663 1.00 0.00 N ATOM 896 CA LYS A 63 -0.847 -14.040 -4.467 1.00 0.00 C ATOM 897 C LYS A 63 -1.760 -13.133 -3.643 1.00 0.00 C ATOM 898 O LYS A 63 -1.345 -12.570 -2.631 1.00 0.00 O ATOM 899 CB LYS A 63 0.339 -14.507 -3.621 1.00 0.00 C ATOM 900 CG LYS A 63 1.420 -15.211 -4.423 1.00 0.00 C ATOM 901 CD LYS A 63 2.436 -15.895 -3.523 1.00 0.00 C ATOM 902 CE LYS A 63 3.583 -14.959 -3.167 1.00 0.00 C ATOM 903 NZ LYS A 63 4.576 -15.610 -2.268 1.00 0.00 N ATOM 0 H LYS A 63 -0.241 -12.345 -5.545 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.419 -14.914 -4.779 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.776 -13.645 -3.117 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.023 -15.181 -2.845 1.00 0.00 H new ATOM 0 HG2 LYS A 63 0.962 -15.950 -5.081 1.00 0.00 H new ATOM 0 HG3 LYS A 63 1.928 -14.488 -5.061 1.00 0.00 H new ATOM 0 HD2 LYS A 63 1.945 -16.235 -2.611 1.00 0.00 H new ATOM 0 HD3 LYS A 63 2.829 -16.780 -4.023 1.00 0.00 H new ATOM 0 HE2 LYS A 63 4.080 -14.632 -4.080 1.00 0.00 H new ATOM 0 HE3 LYS A 63 3.186 -14.067 -2.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 5.006 -14.893 -1.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 4.099 -16.329 -1.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 5.317 -16.063 -2.840 1.00 0.00 H new ATOM 917 N ALA A 64 -3.010 -13.013 -4.078 1.00 0.00 N ATOM 918 CA ALA A 64 -3.996 -12.194 -3.382 1.00 0.00 C ATOM 919 C ALA A 64 -4.220 -12.677 -1.948 1.00 0.00 C ATOM 920 O ALA A 64 -4.980 -13.616 -1.716 1.00 0.00 O ATOM 921 CB ALA A 64 -5.310 -12.189 -4.150 1.00 0.00 C ATOM 0 H ALA A 64 -3.366 -13.476 -4.915 1.00 0.00 H new ATOM 0 HA ALA A 64 -3.608 -11.177 -3.330 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -6.038 -11.574 -3.621 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -5.147 -11.781 -5.147 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -5.687 -13.208 -4.233 1.00 0.00 H new ATOM 927 N GLY A 65 -3.566 -12.026 -0.990 1.00 0.00 N ATOM 928 CA GLY A 65 -3.724 -12.407 0.406 1.00 0.00 C ATOM 929 C GLY A 65 -2.587 -13.277 0.909 1.00 0.00 C ATOM 930 O GLY A 65 -2.796 -14.170 1.729 1.00 0.00 O ATOM 0 H GLY A 65 -2.931 -11.244 -1.153 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -3.786 -11.508 1.019 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -4.666 -12.941 0.528 1.00 0.00 H new ATOM 934 N GLU A 66 -1.383 -13.011 0.419 1.00 0.00 N ATOM 935 CA GLU A 66 -0.200 -13.769 0.822 1.00 0.00 C ATOM 936 C GLU A 66 0.604 -13.025 1.882 1.00 0.00 C ATOM 937 O GLU A 66 0.449 -11.820 2.052 1.00 0.00 O ATOM 938 CB GLU A 66 0.681 -14.047 -0.390 1.00 0.00 C ATOM 939 CG GLU A 66 1.561 -15.276 -0.236 1.00 0.00 C ATOM 940 CD GLU A 66 0.765 -16.567 -0.254 1.00 0.00 C ATOM 941 OE1 GLU A 66 0.257 -16.937 -1.334 1.00 0.00 O ATOM 942 OE2 GLU A 66 0.649 -17.207 0.812 1.00 0.00 O ATOM 0 H GLU A 66 -1.197 -12.274 -0.261 1.00 0.00 H new ATOM 0 HA GLU A 66 -0.539 -14.712 1.252 1.00 0.00 H new ATOM 0 HB2 GLU A 66 0.047 -14.173 -1.268 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.314 -13.179 -0.575 1.00 0.00 H new ATOM 0 HG2 GLU A 66 2.296 -15.295 -1.040 1.00 0.00 H new ATOM 0 HG3 GLU A 66 2.115 -15.207 0.700 1.00 0.00 H new ATOM 949 N GLU A 67 1.485 -13.752 2.567 1.00 0.00 N ATOM 950 CA GLU A 67 2.350 -13.167 3.590 1.00 0.00 C ATOM 951 C GLU A 67 3.807 -13.527 3.305 1.00 0.00 C ATOM 952 O GLU A 67 4.217 -14.673 3.490 1.00 0.00 O ATOM 953 CB GLU A 67 1.948 -13.656 4.983 1.00 0.00 C ATOM 954 CG GLU A 67 1.818 -15.168 5.088 1.00 0.00 C ATOM 955 CD GLU A 67 2.753 -15.763 6.122 1.00 0.00 C ATOM 956 OE1 GLU A 67 3.984 -15.654 5.943 1.00 0.00 O ATOM 957 OE2 GLU A 67 2.253 -16.336 7.114 1.00 0.00 O ATOM 0 H GLU A 67 1.619 -14.754 2.431 1.00 0.00 H new ATOM 0 HA GLU A 67 2.237 -12.083 3.563 1.00 0.00 H new ATOM 0 HB2 GLU A 67 2.688 -13.313 5.706 1.00 0.00 H new ATOM 0 HB3 GLU A 67 0.998 -13.199 5.258 1.00 0.00 H new ATOM 0 HG2 GLU A 67 0.790 -15.424 5.344 1.00 0.00 H new ATOM 0 HG3 GLU A 67 2.025 -15.615 4.116 1.00 0.00 H new ATOM 964 N PHE A 68 4.578 -12.552 2.827 1.00 0.00 N ATOM 965 CA PHE A 68 5.981 -12.784 2.487 1.00 0.00 C ATOM 966 C PHE A 68 6.868 -11.646 2.980 1.00 0.00 C ATOM 967 O PHE A 68 6.384 -10.583 3.359 1.00 0.00 O ATOM 968 CB PHE A 68 6.125 -12.926 0.979 1.00 0.00 C ATOM 969 CG PHE A 68 5.488 -11.791 0.254 1.00 0.00 C ATOM 970 CD1 PHE A 68 6.172 -10.606 0.073 1.00 0.00 C ATOM 971 CD2 PHE A 68 4.195 -11.899 -0.221 1.00 0.00 C ATOM 972 CE1 PHE A 68 5.579 -9.544 -0.578 1.00 0.00 C ATOM 973 CE2 PHE A 68 3.594 -10.844 -0.868 1.00 0.00 C ATOM 974 CZ PHE A 68 4.284 -9.663 -1.049 1.00 0.00 C ATOM 0 H PHE A 68 4.257 -11.597 2.667 1.00 0.00 H new ATOM 0 HA PHE A 68 6.301 -13.702 2.979 1.00 0.00 H new ATOM 0 HB2 PHE A 68 7.182 -12.977 0.718 1.00 0.00 H new ATOM 0 HB3 PHE A 68 5.672 -13.863 0.657 1.00 0.00 H new ATOM 0 HD1 PHE A 68 7.181 -10.509 0.445 1.00 0.00 H new ATOM 0 HD2 PHE A 68 3.650 -12.821 -0.083 1.00 0.00 H new ATOM 0 HE1 PHE A 68 6.124 -8.623 -0.719 1.00 0.00 H new ATOM 0 HE2 PHE A 68 2.583 -10.940 -1.234 1.00 0.00 H new ATOM 0 HZ PHE A 68 3.814 -8.834 -1.557 1.00 0.00 H new ATOM 984 N THR A 69 8.174 -11.879 2.973 1.00 0.00 N ATOM 985 CA THR A 69 9.133 -10.875 3.419 1.00 0.00 C ATOM 986 C THR A 69 10.202 -10.637 2.361 1.00 0.00 C ATOM 987 O THR A 69 10.846 -11.577 1.898 1.00 0.00 O ATOM 988 CB THR A 69 9.787 -11.321 4.729 1.00 0.00 C ATOM 989 OG1 THR A 69 8.807 -11.736 5.663 1.00 0.00 O ATOM 990 CG2 THR A 69 10.620 -10.242 5.386 1.00 0.00 C ATOM 0 H THR A 69 8.595 -12.755 2.663 1.00 0.00 H new ATOM 0 HA THR A 69 8.597 -9.940 3.583 1.00 0.00 H new ATOM 0 HB THR A 69 10.446 -12.145 4.454 1.00 0.00 H new ATOM 0 HG1 THR A 69 9.245 -12.019 6.493 1.00 0.00 H new ATOM 0 HG21 THR A 69 11.053 -10.628 6.309 1.00 0.00 H new ATOM 0 HG22 THR A 69 11.419 -9.937 4.710 1.00 0.00 H new ATOM 0 HG23 THR A 69 9.989 -9.383 5.613 1.00 0.00 H new ATOM 998 N ILE A 70 10.397 -9.374 1.982 1.00 0.00 N ATOM 999 CA ILE A 70 11.402 -9.042 0.982 1.00 0.00 C ATOM 1000 C ILE A 70 12.213 -7.834 1.415 1.00 0.00 C ATOM 1001 O ILE A 70 11.808 -7.089 2.308 1.00 0.00 O ATOM 1002 CB ILE A 70 10.773 -8.761 -0.402 1.00 0.00 C ATOM 1003 CG1 ILE A 70 9.923 -7.486 -0.371 1.00 0.00 C ATOM 1004 CG2 ILE A 70 9.942 -9.951 -0.860 1.00 0.00 C ATOM 1005 CD1 ILE A 70 8.694 -7.590 0.504 1.00 0.00 C ATOM 0 H ILE A 70 9.878 -8.576 2.349 1.00 0.00 H new ATOM 0 HA ILE A 70 12.054 -9.911 0.893 1.00 0.00 H new ATOM 0 HB ILE A 70 11.581 -8.608 -1.118 1.00 0.00 H new ATOM 0 HG12 ILE A 70 10.539 -6.659 -0.018 1.00 0.00 H new ATOM 0 HG13 ILE A 70 9.614 -7.242 -1.387 1.00 0.00 H new ATOM 0 HG21 ILE A 70 9.506 -9.737 -1.836 1.00 0.00 H new ATOM 0 HG22 ILE A 70 10.578 -10.833 -0.933 1.00 0.00 H new ATOM 0 HG23 ILE A 70 9.145 -10.137 -0.140 1.00 0.00 H new ATOM 0 HD11 ILE A 70 8.145 -6.649 0.474 1.00 0.00 H new ATOM 0 HD12 ILE A 70 8.055 -8.395 0.140 1.00 0.00 H new ATOM 0 HD13 ILE A 70 8.995 -7.802 1.530 1.00 0.00 H new ATOM 1017 N ASP A 71 13.340 -7.621 0.754 1.00 0.00 N ATOM 1018 CA ASP A 71 14.184 -6.477 1.046 1.00 0.00 C ATOM 1019 C ASP A 71 13.830 -5.352 0.089 1.00 0.00 C ATOM 1020 O ASP A 71 13.437 -5.611 -1.046 1.00 0.00 O ATOM 1021 CB ASP A 71 15.661 -6.845 0.906 1.00 0.00 C ATOM 1022 CG ASP A 71 16.068 -7.975 1.832 1.00 0.00 C ATOM 1023 OD1 ASP A 71 15.176 -8.733 2.270 1.00 0.00 O ATOM 1024 OD2 ASP A 71 17.277 -8.103 2.118 1.00 0.00 O ATOM 0 H ASP A 71 13.690 -8.227 0.012 1.00 0.00 H new ATOM 0 HA ASP A 71 14.015 -6.156 2.074 1.00 0.00 H new ATOM 0 HB2 ASP A 71 15.864 -7.134 -0.125 1.00 0.00 H new ATOM 0 HB3 ASP A 71 16.272 -5.968 1.118 1.00 0.00 H new ATOM 1029 N VAL A 72 13.984 -4.114 0.521 1.00 0.00 N ATOM 1030 CA VAL A 72 13.686 -2.980 -0.349 1.00 0.00 C ATOM 1031 C VAL A 72 14.615 -1.813 -0.062 1.00 0.00 C ATOM 1032 O VAL A 72 14.837 -1.454 1.094 1.00 0.00 O ATOM 1033 CB VAL A 72 12.228 -2.500 -0.211 1.00 0.00 C ATOM 1034 CG1 VAL A 72 11.307 -3.306 -1.115 1.00 0.00 C ATOM 1035 CG2 VAL A 72 11.760 -2.577 1.232 1.00 0.00 C ATOM 0 H VAL A 72 14.309 -3.865 1.455 1.00 0.00 H new ATOM 0 HA VAL A 72 13.838 -3.333 -1.369 1.00 0.00 H new ATOM 0 HB VAL A 72 12.190 -1.456 -0.523 1.00 0.00 H new ATOM 0 HG11 VAL A 72 10.283 -2.950 -1.001 1.00 0.00 H new ATOM 0 HG12 VAL A 72 11.620 -3.187 -2.152 1.00 0.00 H new ATOM 0 HG13 VAL A 72 11.358 -4.359 -0.840 1.00 0.00 H new ATOM 0 HG21 VAL A 72 10.728 -2.232 1.299 1.00 0.00 H new ATOM 0 HG22 VAL A 72 11.821 -3.608 1.580 1.00 0.00 H new ATOM 0 HG23 VAL A 72 12.394 -1.946 1.854 1.00 0.00 H new ATOM 1045 N THR A 73 15.147 -1.211 -1.116 1.00 0.00 N ATOM 1046 CA THR A 73 16.041 -0.074 -0.983 1.00 0.00 C ATOM 1047 C THR A 73 15.893 0.808 -2.215 1.00 0.00 C ATOM 1048 O THR A 73 16.064 0.342 -3.342 1.00 0.00 O ATOM 1049 CB THR A 73 17.489 -0.551 -0.831 1.00 0.00 C ATOM 1050 OG1 THR A 73 17.672 -1.187 0.427 1.00 0.00 O ATOM 1051 CG2 THR A 73 18.513 0.565 -0.957 1.00 0.00 C ATOM 0 H THR A 73 14.972 -1.496 -2.080 1.00 0.00 H new ATOM 0 HA THR A 73 15.783 0.498 -0.092 1.00 0.00 H new ATOM 0 HB THR A 73 17.655 -1.249 -1.651 1.00 0.00 H new ATOM 0 HG1 THR A 73 16.813 -1.238 0.896 1.00 0.00 H new ATOM 0 HG21 THR A 73 19.516 0.154 -0.839 1.00 0.00 H new ATOM 0 HG22 THR A 73 18.425 1.030 -1.939 1.00 0.00 H new ATOM 0 HG23 THR A 73 18.334 1.312 -0.184 1.00 0.00 H new ATOM 1059 N PHE A 74 15.557 2.073 -2.007 1.00 0.00 N ATOM 1060 CA PHE A 74 15.370 2.992 -3.120 1.00 0.00 C ATOM 1061 C PHE A 74 16.697 3.598 -3.571 1.00 0.00 C ATOM 1062 O PHE A 74 17.469 4.099 -2.754 1.00 0.00 O ATOM 1063 CB PHE A 74 14.390 4.092 -2.724 1.00 0.00 C ATOM 1064 CG PHE A 74 12.977 3.601 -2.593 1.00 0.00 C ATOM 1065 CD1 PHE A 74 12.645 2.626 -1.666 1.00 0.00 C ATOM 1066 CD2 PHE A 74 11.984 4.115 -3.401 1.00 0.00 C ATOM 1067 CE1 PHE A 74 11.343 2.174 -1.554 1.00 0.00 C ATOM 1068 CE2 PHE A 74 10.680 3.671 -3.296 1.00 0.00 C ATOM 1069 CZ PHE A 74 10.359 2.698 -2.370 1.00 0.00 C ATOM 0 H PHE A 74 15.409 2.484 -1.085 1.00 0.00 H new ATOM 0 HA PHE A 74 14.961 2.431 -3.960 1.00 0.00 H new ATOM 0 HB2 PHE A 74 14.706 4.529 -1.777 1.00 0.00 H new ATOM 0 HB3 PHE A 74 14.425 4.887 -3.469 1.00 0.00 H new ATOM 0 HD1 PHE A 74 13.411 2.215 -1.025 1.00 0.00 H new ATOM 0 HD2 PHE A 74 12.230 4.876 -4.127 1.00 0.00 H new ATOM 0 HE1 PHE A 74 11.096 1.412 -0.829 1.00 0.00 H new ATOM 0 HE2 PHE A 74 9.914 4.083 -3.936 1.00 0.00 H new ATOM 0 HZ PHE A 74 9.341 2.348 -2.284 1.00 0.00 H new ATOM 1079 N PRO A 75 16.982 3.557 -4.886 1.00 0.00 N ATOM 1080 CA PRO A 75 18.225 4.102 -5.442 1.00 0.00 C ATOM 1081 C PRO A 75 18.322 5.614 -5.294 1.00 0.00 C ATOM 1082 O PRO A 75 17.414 6.260 -4.772 1.00 0.00 O ATOM 1083 CB PRO A 75 18.156 3.729 -6.925 1.00 0.00 C ATOM 1084 CG PRO A 75 16.709 3.514 -7.203 1.00 0.00 C ATOM 1085 CD PRO A 75 16.121 2.974 -5.933 1.00 0.00 C ATOM 0 HA PRO A 75 19.097 3.704 -4.924 1.00 0.00 H new ATOM 0 HB2 PRO A 75 18.564 4.523 -7.551 1.00 0.00 H new ATOM 0 HB3 PRO A 75 18.735 2.829 -7.133 1.00 0.00 H new ATOM 0 HG2 PRO A 75 16.224 4.447 -7.492 1.00 0.00 H new ATOM 0 HG3 PRO A 75 16.570 2.814 -8.026 1.00 0.00 H new ATOM 0 HD2 PRO A 75 15.080 3.275 -5.812 1.00 0.00 H new ATOM 0 HD3 PRO A 75 16.143 1.884 -5.911 1.00 0.00 H new ATOM 1093 N GLU A 76 19.430 6.171 -5.772 1.00 0.00 N ATOM 1094 CA GLU A 76 19.653 7.610 -5.709 1.00 0.00 C ATOM 1095 C GLU A 76 18.847 8.344 -6.782 1.00 0.00 C ATOM 1096 O GLU A 76 18.864 9.573 -6.846 1.00 0.00 O ATOM 1097 CB GLU A 76 21.144 7.919 -5.872 1.00 0.00 C ATOM 1098 CG GLU A 76 21.984 7.507 -4.672 1.00 0.00 C ATOM 1099 CD GLU A 76 22.543 8.696 -3.913 1.00 0.00 C ATOM 1100 OE1 GLU A 76 22.012 9.813 -4.086 1.00 0.00 O ATOM 1101 OE2 GLU A 76 23.509 8.507 -3.146 1.00 0.00 O ATOM 0 H GLU A 76 20.188 5.646 -6.208 1.00 0.00 H new ATOM 0 HA GLU A 76 19.316 7.960 -4.733 1.00 0.00 H new ATOM 0 HB2 GLU A 76 21.518 7.409 -6.760 1.00 0.00 H new ATOM 0 HB3 GLU A 76 21.269 8.988 -6.043 1.00 0.00 H new ATOM 0 HG2 GLU A 76 21.376 6.904 -3.998 1.00 0.00 H new ATOM 0 HG3 GLU A 76 22.807 6.877 -5.009 1.00 0.00 H new ATOM 1108 N GLU A 77 18.145 7.587 -7.623 1.00 0.00 N ATOM 1109 CA GLU A 77 17.340 8.170 -8.691 1.00 0.00 C ATOM 1110 C GLU A 77 15.904 8.401 -8.225 1.00 0.00 C ATOM 1111 O GLU A 77 15.267 9.382 -8.605 1.00 0.00 O ATOM 1112 CB GLU A 77 17.345 7.259 -9.924 1.00 0.00 C ATOM 1113 CG GLU A 77 18.675 6.561 -10.173 1.00 0.00 C ATOM 1114 CD GLU A 77 19.662 7.432 -10.924 1.00 0.00 C ATOM 1115 OE1 GLU A 77 19.235 8.140 -11.859 1.00 0.00 O ATOM 1116 OE2 GLU A 77 20.862 7.404 -10.578 1.00 0.00 O ATOM 0 H GLU A 77 18.118 6.568 -7.584 1.00 0.00 H new ATOM 0 HA GLU A 77 17.780 9.131 -8.957 1.00 0.00 H new ATOM 0 HB2 GLU A 77 16.567 6.505 -9.809 1.00 0.00 H new ATOM 0 HB3 GLU A 77 17.087 7.852 -10.802 1.00 0.00 H new ATOM 0 HG2 GLU A 77 19.110 6.266 -9.218 1.00 0.00 H new ATOM 0 HG3 GLU A 77 18.500 5.646 -10.739 1.00 0.00 H new ATOM 1123 N TYR A 78 15.404 7.486 -7.400 1.00 0.00 N ATOM 1124 CA TYR A 78 14.043 7.581 -6.877 1.00 0.00 C ATOM 1125 C TYR A 78 13.888 8.813 -5.988 1.00 0.00 C ATOM 1126 O TYR A 78 13.254 9.795 -6.374 1.00 0.00 O ATOM 1127 CB TYR A 78 13.694 6.314 -6.090 1.00 0.00 C ATOM 1128 CG TYR A 78 12.222 5.978 -6.082 1.00 0.00 C ATOM 1129 CD1 TYR A 78 11.316 6.715 -5.324 1.00 0.00 C ATOM 1130 CD2 TYR A 78 11.739 4.912 -6.825 1.00 0.00 C ATOM 1131 CE1 TYR A 78 9.971 6.396 -5.314 1.00 0.00 C ATOM 1132 CE2 TYR A 78 10.398 4.587 -6.822 1.00 0.00 C ATOM 1133 CZ TYR A 78 9.518 5.331 -6.065 1.00 0.00 C ATOM 1134 OH TYR A 78 8.179 5.011 -6.059 1.00 0.00 O ATOM 0 H TYR A 78 15.921 6.668 -7.078 1.00 0.00 H new ATOM 0 HA TYR A 78 13.357 7.678 -7.718 1.00 0.00 H new ATOM 0 HB2 TYR A 78 14.245 5.474 -6.512 1.00 0.00 H new ATOM 0 HB3 TYR A 78 14.034 6.433 -5.061 1.00 0.00 H new ATOM 0 HD1 TYR A 78 11.669 7.548 -4.735 1.00 0.00 H new ATOM 0 HD2 TYR A 78 12.425 4.325 -7.417 1.00 0.00 H new ATOM 0 HE1 TYR A 78 9.279 6.977 -4.722 1.00 0.00 H new ATOM 0 HE2 TYR A 78 10.040 3.754 -7.409 1.00 0.00 H new ATOM 0 HH TYR A 78 8.025 4.237 -6.640 1.00 0.00 H new ATOM 1144 N HIS A 79 14.489 8.752 -4.805 1.00 0.00 N ATOM 1145 CA HIS A 79 14.451 9.849 -3.844 1.00 0.00 C ATOM 1146 C HIS A 79 13.085 10.543 -3.778 1.00 0.00 C ATOM 1147 O HIS A 79 12.938 11.686 -4.211 1.00 0.00 O ATOM 1148 CB HIS A 79 15.545 10.860 -4.173 1.00 0.00 C ATOM 1149 CG HIS A 79 16.904 10.395 -3.756 1.00 0.00 C ATOM 1150 ND1 HIS A 79 17.996 11.231 -3.664 1.00 0.00 N ATOM 1151 CD2 HIS A 79 17.342 9.165 -3.390 1.00 0.00 C ATOM 1152 CE1 HIS A 79 19.046 10.540 -3.260 1.00 0.00 C ATOM 1153 NE2 HIS A 79 18.676 9.285 -3.084 1.00 0.00 N ATOM 0 H HIS A 79 15.017 7.940 -4.485 1.00 0.00 H new ATOM 0 HA HIS A 79 14.626 9.418 -2.858 1.00 0.00 H new ATOM 0 HB2 HIS A 79 15.545 11.053 -5.246 1.00 0.00 H new ATOM 0 HB3 HIS A 79 15.321 11.805 -3.679 1.00 0.00 H new ATOM 0 HD2 HIS A 79 16.753 8.261 -3.347 1.00 0.00 H new ATOM 0 HE1 HIS A 79 20.039 10.934 -3.101 1.00 0.00 H new ATOM 0 HE2 HIS A 79 19.283 8.527 -2.771 1.00 0.00 H new ATOM 1161 N ALA A 80 12.092 9.849 -3.217 1.00 0.00 N ATOM 1162 CA ALA A 80 10.749 10.408 -3.074 1.00 0.00 C ATOM 1163 C ALA A 80 10.660 11.299 -1.835 1.00 0.00 C ATOM 1164 O ALA A 80 11.320 11.053 -0.829 1.00 0.00 O ATOM 1165 CB ALA A 80 9.715 9.295 -3.009 1.00 0.00 C ATOM 0 H ALA A 80 12.194 8.901 -2.855 1.00 0.00 H new ATOM 0 HA ALA A 80 10.540 11.024 -3.949 1.00 0.00 H new ATOM 0 HB1 ALA A 80 8.720 9.728 -2.903 1.00 0.00 H new ATOM 0 HB2 ALA A 80 9.758 8.705 -3.924 1.00 0.00 H new ATOM 0 HB3 ALA A 80 9.925 8.653 -2.153 1.00 0.00 H new ATOM 1171 N GLU A 81 9.852 12.342 -1.923 1.00 0.00 N ATOM 1172 CA GLU A 81 9.684 13.291 -0.824 1.00 0.00 C ATOM 1173 C GLU A 81 9.394 12.612 0.518 1.00 0.00 C ATOM 1174 O GLU A 81 9.731 13.154 1.571 1.00 0.00 O ATOM 1175 CB GLU A 81 8.554 14.268 -1.152 1.00 0.00 C ATOM 1176 CG GLU A 81 8.560 15.518 -0.286 1.00 0.00 C ATOM 1177 CD GLU A 81 7.179 15.881 0.223 1.00 0.00 C ATOM 1178 OE1 GLU A 81 6.184 15.461 -0.404 1.00 0.00 O ATOM 1179 OE2 GLU A 81 7.092 16.588 1.251 1.00 0.00 O ATOM 0 H GLU A 81 9.295 12.558 -2.750 1.00 0.00 H new ATOM 0 HA GLU A 81 10.631 13.820 -0.719 1.00 0.00 H new ATOM 0 HB2 GLU A 81 8.631 14.561 -2.199 1.00 0.00 H new ATOM 0 HB3 GLU A 81 7.598 13.758 -1.033 1.00 0.00 H new ATOM 0 HG2 GLU A 81 9.227 15.365 0.562 1.00 0.00 H new ATOM 0 HG3 GLU A 81 8.962 16.352 -0.861 1.00 0.00 H new ATOM 1186 N ASN A 82 8.737 11.457 0.493 1.00 0.00 N ATOM 1187 CA ASN A 82 8.379 10.769 1.734 1.00 0.00 C ATOM 1188 C ASN A 82 9.385 9.698 2.167 1.00 0.00 C ATOM 1189 O ASN A 82 9.569 9.476 3.364 1.00 0.00 O ATOM 1190 CB ASN A 82 6.988 10.142 1.604 1.00 0.00 C ATOM 1191 CG ASN A 82 6.867 9.245 0.388 1.00 0.00 C ATOM 1192 OD1 ASN A 82 6.214 9.593 -0.594 1.00 0.00 O ATOM 1193 ND2 ASN A 82 7.501 8.081 0.449 1.00 0.00 N ATOM 0 H ASN A 82 8.444 10.980 -0.360 1.00 0.00 H new ATOM 0 HA ASN A 82 8.387 11.533 2.512 1.00 0.00 H new ATOM 0 HB2 ASN A 82 6.768 9.564 2.501 1.00 0.00 H new ATOM 0 HB3 ASN A 82 6.241 10.933 1.544 1.00 0.00 H new ATOM 0 HD21 ASN A 82 7.458 7.435 -0.339 1.00 0.00 H new ATOM 0 HD22 ASN A 82 8.032 7.832 1.284 1.00 0.00 H new ATOM 1200 N LEU A 83 10.008 9.007 1.214 1.00 0.00 N ATOM 1201 CA LEU A 83 10.950 7.941 1.569 1.00 0.00 C ATOM 1202 C LEU A 83 12.243 7.980 0.759 1.00 0.00 C ATOM 1203 O LEU A 83 13.002 7.015 0.747 1.00 0.00 O ATOM 1204 CB LEU A 83 10.268 6.572 1.422 1.00 0.00 C ATOM 1205 CG LEU A 83 10.176 5.978 0.000 1.00 0.00 C ATOM 1206 CD1 LEU A 83 10.042 7.048 -1.074 1.00 0.00 C ATOM 1207 CD2 LEU A 83 11.379 5.108 -0.287 1.00 0.00 C ATOM 0 H LEU A 83 9.884 9.158 0.213 1.00 0.00 H new ATOM 0 HA LEU A 83 11.236 8.106 2.608 1.00 0.00 H new ATOM 0 HB2 LEU A 83 10.801 5.860 2.052 1.00 0.00 H new ATOM 0 HB3 LEU A 83 9.256 6.654 1.820 1.00 0.00 H new ATOM 0 HG LEU A 83 9.270 5.373 -0.030 1.00 0.00 H new ATOM 0 HD11 LEU A 83 9.981 6.574 -2.054 1.00 0.00 H new ATOM 0 HD12 LEU A 83 9.138 7.631 -0.896 1.00 0.00 H new ATOM 0 HD13 LEU A 83 10.910 7.706 -1.042 1.00 0.00 H new ATOM 0 HD21 LEU A 83 11.299 4.697 -1.293 1.00 0.00 H new ATOM 0 HD22 LEU A 83 12.287 5.706 -0.211 1.00 0.00 H new ATOM 0 HD23 LEU A 83 11.419 4.293 0.436 1.00 0.00 H new ATOM 1219 N LYS A 84 12.494 9.093 0.088 1.00 0.00 N ATOM 1220 CA LYS A 84 13.703 9.253 -0.730 1.00 0.00 C ATOM 1221 C LYS A 84 14.896 8.459 -0.192 1.00 0.00 C ATOM 1222 O LYS A 84 15.325 8.647 0.945 1.00 0.00 O ATOM 1223 CB LYS A 84 14.087 10.731 -0.845 1.00 0.00 C ATOM 1224 CG LYS A 84 14.318 11.407 0.498 1.00 0.00 C ATOM 1225 CD LYS A 84 13.661 12.777 0.556 1.00 0.00 C ATOM 1226 CE LYS A 84 13.267 13.143 1.976 1.00 0.00 C ATOM 1227 NZ LYS A 84 14.454 13.475 2.813 1.00 0.00 N ATOM 0 H LYS A 84 11.879 9.906 0.089 1.00 0.00 H new ATOM 0 HA LYS A 84 13.459 8.854 -1.715 1.00 0.00 H new ATOM 0 HB2 LYS A 84 14.992 10.817 -1.446 1.00 0.00 H new ATOM 0 HB3 LYS A 84 13.299 11.262 -1.379 1.00 0.00 H new ATOM 0 HG2 LYS A 84 13.921 10.779 1.295 1.00 0.00 H new ATOM 0 HG3 LYS A 84 15.389 11.509 0.675 1.00 0.00 H new ATOM 0 HD2 LYS A 84 14.346 13.528 0.162 1.00 0.00 H new ATOM 0 HD3 LYS A 84 12.777 12.786 -0.082 1.00 0.00 H new ATOM 0 HE2 LYS A 84 12.587 13.995 1.956 1.00 0.00 H new ATOM 0 HE3 LYS A 84 12.725 12.312 2.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 14.143 13.719 3.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 15.091 12.654 2.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 14.958 14.284 2.396 1.00 0.00 H new ATOM 1241 N GLY A 85 15.428 7.575 -1.037 1.00 0.00 N ATOM 1242 CA GLY A 85 16.573 6.761 -0.663 1.00 0.00 C ATOM 1243 C GLY A 85 16.374 6.004 0.636 1.00 0.00 C ATOM 1244 O GLY A 85 17.157 6.159 1.574 1.00 0.00 O ATOM 0 H GLY A 85 15.081 7.408 -1.982 1.00 0.00 H new ATOM 0 HA2 GLY A 85 16.780 6.049 -1.462 1.00 0.00 H new ATOM 0 HA3 GLY A 85 17.450 7.401 -0.571 1.00 0.00 H new ATOM 1248 N LYS A 86 15.326 5.189 0.699 1.00 0.00 N ATOM 1249 CA LYS A 86 15.035 4.415 1.900 1.00 0.00 C ATOM 1250 C LYS A 86 15.542 2.980 1.792 1.00 0.00 C ATOM 1251 O LYS A 86 14.787 2.076 1.434 1.00 0.00 O ATOM 1252 CB LYS A 86 13.531 4.395 2.161 1.00 0.00 C ATOM 1253 CG LYS A 86 13.127 3.637 3.418 1.00 0.00 C ATOM 1254 CD LYS A 86 12.097 2.542 3.128 1.00 0.00 C ATOM 1255 CE LYS A 86 10.988 3.018 2.191 1.00 0.00 C ATOM 1256 NZ LYS A 86 9.624 2.796 2.756 1.00 0.00 N ATOM 0 H LYS A 86 14.666 5.048 -0.066 1.00 0.00 H new ATOM 0 HA LYS A 86 15.554 4.899 2.728 1.00 0.00 H new ATOM 0 HB2 LYS A 86 13.173 5.422 2.238 1.00 0.00 H new ATOM 0 HB3 LYS A 86 13.030 3.947 1.303 1.00 0.00 H new ATOM 0 HG2 LYS A 86 14.012 3.190 3.871 1.00 0.00 H new ATOM 0 HG3 LYS A 86 12.716 4.337 4.146 1.00 0.00 H new ATOM 0 HD2 LYS A 86 12.600 1.683 2.684 1.00 0.00 H new ATOM 0 HD3 LYS A 86 11.656 2.204 4.066 1.00 0.00 H new ATOM 0 HE2 LYS A 86 11.123 4.080 1.984 1.00 0.00 H new ATOM 0 HE3 LYS A 86 11.072 2.494 1.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 8.965 3.496 2.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 9.299 1.838 2.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 9.656 2.899 3.790 1.00 0.00 H new ATOM 1270 N ALA A 87 16.807 2.766 2.136 1.00 0.00 N ATOM 1271 CA ALA A 87 17.377 1.426 2.113 1.00 0.00 C ATOM 1272 C ALA A 87 16.886 0.674 3.342 1.00 0.00 C ATOM 1273 O ALA A 87 17.386 0.891 4.447 1.00 0.00 O ATOM 1274 CB ALA A 87 18.897 1.495 2.091 1.00 0.00 C ATOM 0 H ALA A 87 17.453 3.498 2.432 1.00 0.00 H new ATOM 0 HA ALA A 87 17.060 0.901 1.212 1.00 0.00 H new ATOM 0 HB1 ALA A 87 19.307 0.485 2.074 1.00 0.00 H new ATOM 0 HB2 ALA A 87 19.224 2.034 1.202 1.00 0.00 H new ATOM 0 HB3 ALA A 87 19.251 2.015 2.981 1.00 0.00 H new ATOM 1280 N ALA A 88 15.868 -0.169 3.169 1.00 0.00 N ATOM 1281 CA ALA A 88 15.296 -0.878 4.308 1.00 0.00 C ATOM 1282 C ALA A 88 14.944 -2.338 4.024 1.00 0.00 C ATOM 1283 O ALA A 88 15.238 -2.889 2.964 1.00 0.00 O ATOM 1284 CB ALA A 88 14.051 -0.130 4.776 1.00 0.00 C ATOM 0 H ALA A 88 15.431 -0.373 2.270 1.00 0.00 H new ATOM 0 HA ALA A 88 16.063 -0.903 5.082 1.00 0.00 H new ATOM 0 HB1 ALA A 88 13.613 -0.650 5.628 1.00 0.00 H new ATOM 0 HB2 ALA A 88 14.325 0.883 5.071 1.00 0.00 H new ATOM 0 HB3 ALA A 88 13.325 -0.088 3.964 1.00 0.00 H new ATOM 1290 N LYS A 89 14.280 -2.931 5.014 1.00 0.00 N ATOM 1291 CA LYS A 89 13.814 -4.311 4.961 1.00 0.00 C ATOM 1292 C LYS A 89 12.335 -4.313 5.310 1.00 0.00 C ATOM 1293 O LYS A 89 11.936 -3.622 6.243 1.00 0.00 O ATOM 1294 CB LYS A 89 14.592 -5.180 5.956 1.00 0.00 C ATOM 1295 CG LYS A 89 15.619 -6.091 5.305 1.00 0.00 C ATOM 1296 CD LYS A 89 17.008 -5.865 5.879 1.00 0.00 C ATOM 1297 CE LYS A 89 17.836 -4.952 4.990 1.00 0.00 C ATOM 1298 NZ LYS A 89 19.295 -5.090 5.254 1.00 0.00 N ATOM 0 H LYS A 89 14.048 -2.458 5.887 1.00 0.00 H new ATOM 0 HA LYS A 89 13.973 -4.723 3.965 1.00 0.00 H new ATOM 0 HB2 LYS A 89 15.098 -4.532 6.672 1.00 0.00 H new ATOM 0 HB3 LYS A 89 13.886 -5.789 6.521 1.00 0.00 H new ATOM 0 HG2 LYS A 89 15.329 -7.131 5.451 1.00 0.00 H new ATOM 0 HG3 LYS A 89 15.635 -5.913 4.230 1.00 0.00 H new ATOM 0 HD2 LYS A 89 16.925 -5.428 6.874 1.00 0.00 H new ATOM 0 HD3 LYS A 89 17.516 -6.823 5.993 1.00 0.00 H new ATOM 0 HE2 LYS A 89 17.633 -5.183 3.944 1.00 0.00 H new ATOM 0 HE3 LYS A 89 17.534 -3.917 5.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 19.823 -4.450 4.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 19.493 -4.845 6.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 19.589 -6.071 5.075 1.00 0.00 H new ATOM 1312 N PHE A 90 11.525 -5.108 4.613 1.00 0.00 N ATOM 1313 CA PHE A 90 10.091 -5.185 4.927 1.00 0.00 C ATOM 1314 C PHE A 90 9.579 -6.614 4.904 1.00 0.00 C ATOM 1315 O PHE A 90 10.118 -7.468 4.203 1.00 0.00 O ATOM 1316 CB PHE A 90 9.222 -4.426 3.916 1.00 0.00 C ATOM 1317 CG PHE A 90 9.552 -2.986 3.685 1.00 0.00 C ATOM 1318 CD1 PHE A 90 10.337 -2.265 4.560 1.00 0.00 C ATOM 1319 CD2 PHE A 90 9.053 -2.358 2.565 1.00 0.00 C ATOM 1320 CE1 PHE A 90 10.626 -0.937 4.322 1.00 0.00 C ATOM 1321 CE2 PHE A 90 9.336 -1.030 2.314 1.00 0.00 C ATOM 1322 CZ PHE A 90 10.126 -0.320 3.195 1.00 0.00 C ATOM 0 H PHE A 90 11.826 -5.700 3.839 1.00 0.00 H new ATOM 0 HA PHE A 90 10.011 -4.744 5.921 1.00 0.00 H new ATOM 0 HB2 PHE A 90 9.283 -4.945 2.960 1.00 0.00 H new ATOM 0 HB3 PHE A 90 8.185 -4.487 4.247 1.00 0.00 H new ATOM 0 HD1 PHE A 90 10.731 -2.746 5.443 1.00 0.00 H new ATOM 0 HD2 PHE A 90 8.433 -2.911 1.875 1.00 0.00 H new ATOM 0 HE1 PHE A 90 11.241 -0.383 5.016 1.00 0.00 H new ATOM 0 HE2 PHE A 90 8.941 -0.549 1.432 1.00 0.00 H new ATOM 0 HZ PHE A 90 10.352 0.718 3.002 1.00 0.00 H new ATOM 1332 N ALA A 91 8.477 -6.842 5.608 1.00 0.00 N ATOM 1333 CA ALA A 91 7.809 -8.127 5.618 1.00 0.00 C ATOM 1334 C ALA A 91 6.379 -7.819 5.206 1.00 0.00 C ATOM 1335 O ALA A 91 5.620 -7.206 5.954 1.00 0.00 O ATOM 1336 CB ALA A 91 7.866 -8.771 6.997 1.00 0.00 C ATOM 0 H ALA A 91 8.024 -6.136 6.188 1.00 0.00 H new ATOM 0 HA ALA A 91 8.283 -8.842 4.946 1.00 0.00 H new ATOM 0 HB1 ALA A 91 7.356 -9.734 6.970 1.00 0.00 H new ATOM 0 HB2 ALA A 91 8.906 -8.920 7.286 1.00 0.00 H new ATOM 0 HB3 ALA A 91 7.377 -8.121 7.723 1.00 0.00 H new ATOM 1342 N ILE A 92 6.070 -8.145 3.960 1.00 0.00 N ATOM 1343 CA ILE A 92 4.784 -7.793 3.375 1.00 0.00 C ATOM 1344 C ILE A 92 3.768 -8.931 3.283 1.00 0.00 C ATOM 1345 O ILE A 92 4.102 -10.111 3.338 1.00 0.00 O ATOM 1346 CB ILE A 92 5.014 -7.236 1.955 1.00 0.00 C ATOM 1347 CG1 ILE A 92 6.133 -6.180 1.959 1.00 0.00 C ATOM 1348 CG2 ILE A 92 3.724 -6.684 1.378 1.00 0.00 C ATOM 1349 CD1 ILE A 92 6.140 -5.269 0.751 1.00 0.00 C ATOM 0 H ILE A 92 6.693 -8.654 3.333 1.00 0.00 H new ATOM 0 HA ILE A 92 4.352 -7.059 4.055 1.00 0.00 H new ATOM 0 HB ILE A 92 5.337 -8.054 1.311 1.00 0.00 H new ATOM 0 HG12 ILE A 92 6.037 -5.570 2.857 1.00 0.00 H new ATOM 0 HG13 ILE A 92 7.095 -6.689 2.020 1.00 0.00 H new ATOM 0 HG21 ILE A 92 3.910 -6.297 0.376 1.00 0.00 H new ATOM 0 HG22 ILE A 92 2.979 -7.478 1.328 1.00 0.00 H new ATOM 0 HG23 ILE A 92 3.355 -5.880 2.015 1.00 0.00 H new ATOM 0 HD11 ILE A 92 6.961 -4.557 0.837 1.00 0.00 H new ATOM 0 HD12 ILE A 92 6.269 -5.864 -0.153 1.00 0.00 H new ATOM 0 HD13 ILE A 92 5.195 -4.729 0.697 1.00 0.00 H new ATOM 1361 N ASN A 93 2.514 -8.519 3.094 1.00 0.00 N ATOM 1362 CA ASN A 93 1.388 -9.427 2.929 1.00 0.00 C ATOM 1363 C ASN A 93 0.518 -8.933 1.769 1.00 0.00 C ATOM 1364 O ASN A 93 -0.202 -7.943 1.906 1.00 0.00 O ATOM 1365 CB ASN A 93 0.564 -9.490 4.218 1.00 0.00 C ATOM 1366 CG ASN A 93 -0.467 -10.605 4.215 1.00 0.00 C ATOM 1367 OD1 ASN A 93 -0.351 -11.572 4.965 1.00 0.00 O ATOM 1368 ND2 ASN A 93 -1.488 -10.471 3.376 1.00 0.00 N ATOM 0 H ASN A 93 2.253 -7.534 3.051 1.00 0.00 H new ATOM 0 HA ASN A 93 1.756 -10.429 2.710 1.00 0.00 H new ATOM 0 HB2 ASN A 93 1.236 -9.628 5.065 1.00 0.00 H new ATOM 0 HB3 ASN A 93 0.058 -8.536 4.365 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -2.214 -11.187 3.337 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -1.546 -9.652 2.770 1.00 0.00 H new ATOM 1375 N LEU A 94 0.605 -9.602 0.622 1.00 0.00 N ATOM 1376 CA LEU A 94 -0.156 -9.201 -0.563 1.00 0.00 C ATOM 1377 C LEU A 94 -1.655 -9.409 -0.379 1.00 0.00 C ATOM 1378 O LEU A 94 -2.078 -10.243 0.419 1.00 0.00 O ATOM 1379 CB LEU A 94 0.330 -9.975 -1.788 1.00 0.00 C ATOM 1380 CG LEU A 94 -0.172 -9.457 -3.136 1.00 0.00 C ATOM 1381 CD1 LEU A 94 0.575 -8.190 -3.533 1.00 0.00 C ATOM 1382 CD2 LEU A 94 -0.013 -10.523 -4.206 1.00 0.00 C ATOM 0 H LEU A 94 1.194 -10.424 0.486 1.00 0.00 H new ATOM 0 HA LEU A 94 0.013 -8.135 -0.712 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.420 -9.961 -1.796 1.00 0.00 H new ATOM 0 HB3 LEU A 94 0.026 -11.016 -1.682 1.00 0.00 H new ATOM 0 HG LEU A 94 -1.231 -9.217 -3.040 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.205 -7.836 -4.495 1.00 0.00 H new ATOM 0 HD12 LEU A 94 0.415 -7.421 -2.777 1.00 0.00 H new ATOM 0 HD13 LEU A 94 1.641 -8.405 -3.612 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -0.375 -10.138 -5.159 1.00 0.00 H new ATOM 0 HD22 LEU A 94 1.039 -10.791 -4.299 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -0.589 -11.406 -3.929 1.00 0.00 H new ATOM 1394 N LYS A 95 -2.453 -8.650 -1.134 1.00 0.00 N ATOM 1395 CA LYS A 95 -3.904 -8.755 -1.059 1.00 0.00 C ATOM 1396 C LYS A 95 -4.546 -8.454 -2.423 1.00 0.00 C ATOM 1397 O LYS A 95 -4.469 -9.269 -3.341 1.00 0.00 O ATOM 1398 CB LYS A 95 -4.457 -7.822 0.026 1.00 0.00 C ATOM 1399 CG LYS A 95 -4.300 -8.359 1.440 1.00 0.00 C ATOM 1400 CD LYS A 95 -5.507 -9.185 1.856 1.00 0.00 C ATOM 1401 CE LYS A 95 -5.286 -9.864 3.198 1.00 0.00 C ATOM 1402 NZ LYS A 95 -5.550 -11.327 3.128 1.00 0.00 N ATOM 0 H LYS A 95 -2.115 -7.958 -1.802 1.00 0.00 H new ATOM 0 HA LYS A 95 -4.159 -9.780 -0.788 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -3.951 -6.859 -0.045 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -5.514 -7.642 -0.168 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -3.400 -8.971 1.501 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -4.169 -7.529 2.134 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -6.386 -8.543 1.913 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -5.712 -9.939 1.096 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -4.260 -9.695 3.526 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -5.938 -9.412 3.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -5.967 -11.648 4.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -6.210 -11.524 2.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -4.657 -11.833 2.961 1.00 0.00 H new ATOM 1416 N LYS A 96 -5.213 -7.308 -2.543 1.00 0.00 N ATOM 1417 CA LYS A 96 -5.894 -6.958 -3.782 1.00 0.00 C ATOM 1418 C LYS A 96 -4.924 -6.595 -4.901 1.00 0.00 C ATOM 1419 O LYS A 96 -4.379 -5.491 -4.936 1.00 0.00 O ATOM 1420 CB LYS A 96 -6.858 -5.796 -3.539 1.00 0.00 C ATOM 1421 CG LYS A 96 -8.308 -6.139 -3.840 1.00 0.00 C ATOM 1422 CD LYS A 96 -9.005 -6.721 -2.620 1.00 0.00 C ATOM 1423 CE LYS A 96 -10.438 -7.118 -2.936 1.00 0.00 C ATOM 1424 NZ LYS A 96 -11.305 -7.065 -1.728 1.00 0.00 N ATOM 0 H LYS A 96 -5.295 -6.612 -1.802 1.00 0.00 H new ATOM 0 HA LYS A 96 -6.446 -7.841 -4.103 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -6.776 -5.478 -2.500 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -6.557 -4.949 -4.156 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -8.835 -5.243 -4.169 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -8.351 -6.854 -4.661 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -8.454 -7.592 -2.266 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -8.998 -5.990 -1.812 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -10.839 -6.453 -3.701 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -10.453 -8.126 -3.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -12.274 -7.342 -1.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -10.937 -7.718 -1.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -11.311 -6.097 -1.347 1.00 0.00 H new ATOM 1438 N VAL A 97 -4.739 -7.528 -5.830 1.00 0.00 N ATOM 1439 CA VAL A 97 -3.868 -7.331 -6.984 1.00 0.00 C ATOM 1440 C VAL A 97 -4.709 -7.233 -8.261 1.00 0.00 C ATOM 1441 O VAL A 97 -5.267 -8.228 -8.719 1.00 0.00 O ATOM 1442 CB VAL A 97 -2.856 -8.499 -7.110 1.00 0.00 C ATOM 1443 CG1 VAL A 97 -3.538 -9.842 -6.858 1.00 0.00 C ATOM 1444 CG2 VAL A 97 -2.162 -8.496 -8.469 1.00 0.00 C ATOM 0 H VAL A 97 -5.189 -8.443 -5.804 1.00 0.00 H new ATOM 0 HA VAL A 97 -3.313 -6.403 -6.845 1.00 0.00 H new ATOM 0 HB VAL A 97 -2.092 -8.352 -6.346 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -2.807 -10.645 -6.952 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -3.961 -9.852 -5.853 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -4.334 -9.989 -7.588 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -1.460 -9.328 -8.521 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -2.907 -8.600 -9.258 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.623 -7.558 -8.600 1.00 0.00 H new ATOM 1454 N GLU A 98 -4.805 -6.029 -8.824 1.00 0.00 N ATOM 1455 CA GLU A 98 -5.592 -5.812 -10.041 1.00 0.00 C ATOM 1456 C GLU A 98 -4.821 -4.951 -11.049 1.00 0.00 C ATOM 1457 O GLU A 98 -3.773 -4.402 -10.715 1.00 0.00 O ATOM 1458 CB GLU A 98 -6.927 -5.158 -9.684 1.00 0.00 C ATOM 1459 CG GLU A 98 -7.729 -5.935 -8.651 1.00 0.00 C ATOM 1460 CD GLU A 98 -8.362 -5.039 -7.604 1.00 0.00 C ATOM 1461 OE1 GLU A 98 -9.463 -4.511 -7.861 1.00 0.00 O ATOM 1462 OE2 GLU A 98 -7.757 -4.867 -6.525 1.00 0.00 O ATOM 0 H GLU A 98 -4.351 -5.191 -8.460 1.00 0.00 H new ATOM 0 HA GLU A 98 -5.783 -6.778 -10.508 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -6.740 -4.153 -9.306 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -7.524 -5.052 -10.590 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -8.510 -6.504 -9.156 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -7.077 -6.657 -8.159 1.00 0.00 H new ATOM 1469 N GLU A 99 -5.333 -4.853 -12.286 1.00 0.00 N ATOM 1470 CA GLU A 99 -4.661 -4.076 -13.341 1.00 0.00 C ATOM 1471 C GLU A 99 -5.138 -2.628 -13.413 1.00 0.00 C ATOM 1472 O GLU A 99 -6.054 -2.303 -14.165 1.00 0.00 O ATOM 1473 CB GLU A 99 -4.852 -4.734 -14.709 1.00 0.00 C ATOM 1474 CG GLU A 99 -4.095 -4.021 -15.821 1.00 0.00 C ATOM 1475 CD GLU A 99 -4.977 -3.671 -17.003 1.00 0.00 C ATOM 1476 OE1 GLU A 99 -5.916 -2.868 -16.825 1.00 0.00 O ATOM 1477 OE2 GLU A 99 -4.726 -4.199 -18.107 1.00 0.00 O ATOM 0 H GLU A 99 -6.203 -5.298 -12.579 1.00 0.00 H new ATOM 0 HA GLU A 99 -3.604 -4.065 -13.075 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -4.520 -5.771 -14.657 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -5.914 -4.751 -14.953 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -3.649 -3.109 -15.424 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -3.276 -4.655 -16.160 1.00 0.00 H new ATOM 1484 N ARG A 100 -4.477 -1.759 -12.656 1.00 0.00 N ATOM 1485 CA ARG A 100 -4.804 -0.334 -12.644 1.00 0.00 C ATOM 1486 C ARG A 100 -4.485 0.318 -13.986 1.00 0.00 C ATOM 1487 O ARG A 100 -3.849 -0.286 -14.849 1.00 0.00 O ATOM 1488 CB ARG A 100 -4.008 0.369 -11.548 1.00 0.00 C ATOM 1489 CG ARG A 100 -2.509 0.370 -11.812 1.00 0.00 C ATOM 1490 CD ARG A 100 -1.961 1.780 -11.937 1.00 0.00 C ATOM 1491 NE ARG A 100 -1.869 2.200 -13.333 1.00 0.00 N ATOM 1492 CZ ARG A 100 -0.744 2.595 -13.927 1.00 0.00 C ATOM 1493 NH1 ARG A 100 0.395 2.653 -13.248 1.00 0.00 N ATOM 1494 NH2 ARG A 100 -0.760 2.936 -15.207 1.00 0.00 N ATOM 0 H ARG A 100 -3.707 -2.017 -12.039 1.00 0.00 H new ATOM 0 HA ARG A 100 -5.873 -0.237 -12.454 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -4.356 1.398 -11.456 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -4.203 -0.120 -10.594 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -1.997 -0.149 -11.002 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -2.300 -0.184 -12.727 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -2.604 2.470 -11.390 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -0.975 1.830 -11.476 1.00 0.00 H new ATOM 0 HE ARG A 100 -2.723 2.190 -13.890 1.00 0.00 H new ATOM 0 HH11 ARG A 100 0.415 2.394 -12.262 1.00 0.00 H new ATOM 0 HH12 ARG A 100 1.251 2.957 -13.713 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -1.632 2.896 -15.735 1.00 0.00 H new ATOM 0 HH22 ARG A 100 0.100 3.239 -15.665 1.00 0.00 H new ATOM 1508 N GLU A 101 -4.919 1.562 -14.140 1.00 0.00 N ATOM 1509 CA GLU A 101 -4.669 2.319 -15.364 1.00 0.00 C ATOM 1510 C GLU A 101 -4.961 3.804 -15.160 1.00 0.00 C ATOM 1511 O GLU A 101 -5.988 4.313 -15.612 1.00 0.00 O ATOM 1512 CB GLU A 101 -5.512 1.769 -16.516 1.00 0.00 C ATOM 1513 CG GLU A 101 -4.829 1.880 -17.871 1.00 0.00 C ATOM 1514 CD GLU A 101 -5.612 2.727 -18.856 1.00 0.00 C ATOM 1515 OE1 GLU A 101 -6.608 2.222 -19.413 1.00 0.00 O ATOM 1516 OE2 GLU A 101 -5.226 3.896 -19.071 1.00 0.00 O ATOM 0 H GLU A 101 -5.448 2.071 -13.432 1.00 0.00 H new ATOM 0 HA GLU A 101 -3.614 2.210 -15.616 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -5.744 0.722 -16.319 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -6.461 2.305 -16.550 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -3.836 2.310 -17.738 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -4.691 0.882 -18.286 1.00 0.00 H new ATOM 1523 N LEU A 102 -4.053 4.492 -14.476 1.00 0.00 N ATOM 1524 CA LEU A 102 -4.209 5.918 -14.209 1.00 0.00 C ATOM 1525 C LEU A 102 -3.912 6.747 -15.459 1.00 0.00 C ATOM 1526 O LEU A 102 -2.875 6.568 -16.095 1.00 0.00 O ATOM 1527 CB LEU A 102 -3.278 6.345 -13.070 1.00 0.00 C ATOM 1528 CG LEU A 102 -3.770 6.002 -11.661 1.00 0.00 C ATOM 1529 CD1 LEU A 102 -4.303 4.579 -11.609 1.00 0.00 C ATOM 1530 CD2 LEU A 102 -2.650 6.189 -10.649 1.00 0.00 C ATOM 0 H LEU A 102 -3.199 4.084 -14.095 1.00 0.00 H new ATOM 0 HA LEU A 102 -5.244 6.096 -13.916 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -2.306 5.876 -13.222 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -3.125 7.422 -13.132 1.00 0.00 H new ATOM 0 HG LEU A 102 -4.584 6.680 -11.407 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -4.647 4.356 -10.599 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -5.134 4.476 -12.307 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -3.510 3.883 -11.884 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -3.015 5.941 -9.652 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -1.817 5.534 -10.903 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -2.314 7.226 -10.665 1.00 0.00 H new ATOM 1542 N PRO A 103 -4.820 7.669 -15.831 1.00 0.00 N ATOM 1543 CA PRO A 103 -4.640 8.519 -17.011 1.00 0.00 C ATOM 1544 C PRO A 103 -3.558 9.575 -16.802 1.00 0.00 C ATOM 1545 O PRO A 103 -3.582 10.319 -15.821 1.00 0.00 O ATOM 1546 CB PRO A 103 -6.006 9.183 -17.183 1.00 0.00 C ATOM 1547 CG PRO A 103 -6.592 9.200 -15.816 1.00 0.00 C ATOM 1548 CD PRO A 103 -6.090 7.957 -15.133 1.00 0.00 C ATOM 0 HA PRO A 103 -4.318 7.946 -17.881 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -5.908 10.192 -17.585 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -6.634 8.623 -17.876 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -6.287 10.094 -15.272 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -7.681 9.209 -15.859 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -5.934 8.120 -14.067 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -6.797 7.133 -15.229 1.00 0.00 H new ATOM 1556 N GLU A 104 -2.608 9.634 -17.732 1.00 0.00 N ATOM 1557 CA GLU A 104 -1.516 10.597 -17.649 1.00 0.00 C ATOM 1558 C GLU A 104 -1.933 11.939 -18.240 1.00 0.00 C ATOM 1559 O GLU A 104 -1.891 12.968 -17.563 1.00 0.00 O ATOM 1560 CB GLU A 104 -0.283 10.065 -18.381 1.00 0.00 C ATOM 1561 CG GLU A 104 1.031 10.510 -17.757 1.00 0.00 C ATOM 1562 CD GLU A 104 2.211 9.683 -18.229 1.00 0.00 C ATOM 1563 OE1 GLU A 104 2.027 8.473 -18.475 1.00 0.00 O ATOM 1564 OE2 GLU A 104 3.320 10.245 -18.349 1.00 0.00 O ATOM 0 H GLU A 104 -2.573 9.026 -18.551 1.00 0.00 H new ATOM 0 HA GLU A 104 -1.270 10.743 -16.597 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -0.320 8.976 -18.394 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -0.314 10.397 -19.419 1.00 0.00 H new ATOM 0 HG2 GLU A 104 1.207 11.558 -17.999 1.00 0.00 H new ATOM 0 HG3 GLU A 104 0.955 10.441 -16.672 1.00 0.00 H new ATOM 1571 N LEU A 105 -2.338 11.922 -19.506 1.00 0.00 N ATOM 1572 CA LEU A 105 -2.763 13.138 -20.188 1.00 0.00 C ATOM 1573 C LEU A 105 -4.278 13.154 -20.371 1.00 0.00 C ATOM 1574 O LEU A 105 -4.961 12.178 -20.061 1.00 0.00 O ATOM 1575 CB LEU A 105 -2.072 13.254 -21.548 1.00 0.00 C ATOM 1576 CG LEU A 105 -0.676 13.878 -21.515 1.00 0.00 C ATOM 1577 CD1 LEU A 105 -0.065 13.887 -22.907 1.00 0.00 C ATOM 1578 CD2 LEU A 105 -0.735 15.289 -20.944 1.00 0.00 C ATOM 0 H LEU A 105 -2.381 11.080 -20.080 1.00 0.00 H new ATOM 0 HA LEU A 105 -2.479 13.991 -19.571 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -1.998 12.259 -21.987 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -2.703 13.848 -22.209 1.00 0.00 H new ATOM 0 HG LEU A 105 -0.042 13.273 -20.866 1.00 0.00 H new ATOM 0 HD11 LEU A 105 0.928 14.334 -22.866 1.00 0.00 H new ATOM 0 HD12 LEU A 105 0.013 12.865 -23.277 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -0.697 14.469 -23.578 1.00 0.00 H new ATOM 0 HD21 LEU A 105 0.267 15.717 -20.928 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -1.384 15.906 -21.566 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -1.131 15.255 -19.929 1.00 0.00 H new ATOM 1590 N THR A 106 -4.797 14.268 -20.875 1.00 0.00 N ATOM 1591 CA THR A 106 -6.231 14.412 -21.098 1.00 0.00 C ATOM 1592 C THR A 106 -6.515 14.923 -22.507 1.00 0.00 C ATOM 1593 O THR A 106 -5.693 15.704 -23.029 1.00 0.00 O ATOM 1594 CB THR A 106 -6.837 15.365 -20.068 1.00 0.00 C ATOM 1595 OG1 THR A 106 -6.339 15.088 -18.771 1.00 0.00 O ATOM 1596 CG2 THR A 106 -8.348 15.293 -20.004 1.00 0.00 C ATOM 1597 OXT THR A 106 -7.558 14.537 -23.076 1.00 0.00 O ATOM 0 H THR A 106 -4.246 15.085 -21.137 1.00 0.00 H new ATOM 0 HA THR A 106 -6.689 13.429 -20.987 1.00 0.00 H new ATOM 0 HB THR A 106 -6.549 16.364 -20.395 1.00 0.00 H new ATOM 0 HG1 THR A 106 -6.738 15.710 -18.128 1.00 0.00 H new ATOM 0 HG21 THR A 106 -8.714 15.994 -19.254 1.00 0.00 H new ATOM 0 HG22 THR A 106 -8.766 15.552 -20.977 1.00 0.00 H new ATOM 0 HG23 THR A 106 -8.653 14.282 -19.735 1.00 0.00 H new TER 1605 THR A 106