USER MOD reduce.3.24.130724 H: found=0, std=0, add=1070, rem=0, adj=54 USER MOD reduce.3.24.130724 removed 1069 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 12 SER OG : rot -81:sc= 0.842 USER MOD Set 1.2: A 139 THR OG1 : rot 180:sc= 0.754 USER MOD Set 2.1: A 127 TYR OH : rot -117:sc= 0.489 USER MOD Set 2.2: A 129 GLN :FLIP amide:sc= -0.348 F(o=-1.8,f=0.14) USER MOD Set 3.1: A 92 THR OG1 : rot -16:sc= 0.514 USER MOD Set 3.2: A 99 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0266) USER MOD Set 4.1: A 80 TYR OH : rot -158:sc= 1.21 USER MOD Set 4.2: A 114 GLN : amide:sc= -1.27 K(o=-0.062,f=-4.9!) USER MOD Set 5.1: A 42 SER OG : rot -120:sc= 1.45 USER MOD Set 5.2: A 66 THR OG1 : rot -50:sc= 1.64 USER MOD Set 6.1: A 61 GLN : amide:sc= -1.28 X(o=-1.3,f=-0.98) USER MOD Set 6.2: A 63 TYR OH : rot 30:sc= 0 USER MOD Set 7.1: A 19 ASN :FLIP amide:sc= -0.29 F(o=-2.1,f=-0.56) USER MOD Set 7.2: A 49 SER OG : rot -63:sc= -0.266 USER MOD Set 8.1: A 48 LYS NZ :NH3+ 155:sc= -0.208 (180deg=-1.11) USER MOD Set 8.2: A 58 ASN :FLIP amide:sc= 0.963 F(o=-2,f=0.56) USER MOD Set 8.3: A 60 ASN :FLIP amide:sc= -0.193! F(o=-3.6,f=0.56!) USER MOD Single : A 1 ALA N :NH3+ -119:sc= 0.146 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -0.339 X(o=-0.34,f=0) USER MOD Single : A 15 GLN : amide:sc= -0.6 K(o=-0.6,f=-1.3) USER MOD Single : A 17 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 18 MET CE :methyl -155:sc= -0.979 (180deg=-2.27!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 MET CE :methyl -151:sc= -0.533 (180deg=-1.19) USER MOD Single : A 25 ASN : amide:sc= -1.32 K(o=-1.3,f=-3!) USER MOD Single : A 27 LYS NZ :NH3+ -139:sc= -0.0193 (180deg=-1.83) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -0.318 X(o=-0.32,f=-0.036) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 123:sc= 0.454 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= -0.273 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot -85:sc= 1.17 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 180:sc= -0.745 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= -0.453 K(o=-0.45,f=-6.5!) USER MOD Single : A 78 SER OG : rot -17:sc= 0.595 USER MOD Single : A 87 TYR OH : rot -68:sc= 0.0982 USER MOD Single : A 89 LYS NZ :NH3+ 139:sc= 0.038 (180deg=-1.26) USER MOD Single : A 91 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 HIS : no HE2:sc= 0.118 K(o=0.12,f=-1.3) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 116 ASN : amide:sc= -1.62 K(o=-1.6,f=-2.3) USER MOD Single : A 118 MET CE :methyl 151:sc= -0.189 (180deg=-0.965) USER MOD Single : A 120 ASN : amide:sc= -1.47 K(o=-1.5,f=-6.3!) USER MOD Single : A 126 SER OG : rot 180:sc= -0.745 USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD Single : A 146 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 118.608 -20.741 17.351 1.00 0.00 N ATOM 2 CA ALA A 1 117.675 -19.597 17.148 1.00 0.00 C ATOM 3 C ALA A 1 117.325 -19.486 15.667 1.00 0.00 C ATOM 4 O ALA A 1 117.865 -20.215 14.835 1.00 0.00 O ATOM 5 CB ALA A 1 118.344 -18.307 17.624 1.00 0.00 C ATOM 0 H1 ALA A 1 118.168 -21.440 17.983 1.00 0.00 H new ATOM 0 H2 ALA A 1 118.816 -21.186 16.434 1.00 0.00 H new ATOM 0 H3 ALA A 1 119.492 -20.397 17.777 1.00 0.00 H new ATOM 0 HA ALA A 1 116.762 -19.760 17.721 1.00 0.00 H new ATOM 0 HB1 ALA A 1 117.663 -17.468 17.477 1.00 0.00 H new ATOM 0 HB2 ALA A 1 118.589 -18.394 18.683 1.00 0.00 H new ATOM 0 HB3 ALA A 1 119.257 -18.138 17.053 1.00 0.00 H new ATOM 13 N THR A 2 116.417 -18.571 15.347 1.00 0.00 N ATOM 14 CA THR A 2 115.993 -18.365 13.965 1.00 0.00 C ATOM 15 C THR A 2 115.995 -16.878 13.621 1.00 0.00 C ATOM 16 O THR A 2 115.847 -16.029 14.499 1.00 0.00 O ATOM 17 CB THR A 2 114.592 -18.950 13.770 1.00 0.00 C ATOM 18 OG1 THR A 2 114.179 -18.753 12.426 1.00 0.00 O ATOM 19 CG2 THR A 2 113.607 -18.270 14.724 1.00 0.00 C ATOM 0 H THR A 2 115.960 -17.960 16.024 1.00 0.00 H new ATOM 0 HA THR A 2 116.692 -18.871 13.299 1.00 0.00 H new ATOM 0 HB THR A 2 114.613 -20.018 13.987 1.00 0.00 H new ATOM 0 HG1 THR A 2 113.283 -19.129 12.301 1.00 0.00 H new ATOM 0 HG21 THR A 2 112.612 -18.691 14.580 1.00 0.00 H new ATOM 0 HG22 THR A 2 113.925 -18.434 15.753 1.00 0.00 H new ATOM 0 HG23 THR A 2 113.582 -17.200 14.519 1.00 0.00 H new ATOM 27 N SER A 3 116.165 -16.570 12.339 1.00 0.00 N ATOM 28 CA SER A 3 116.221 -15.179 11.902 1.00 0.00 C ATOM 29 C SER A 3 115.926 -15.065 10.411 1.00 0.00 C ATOM 30 O SER A 3 116.082 -16.027 9.659 1.00 0.00 O ATOM 31 CB SER A 3 117.605 -14.598 12.195 1.00 0.00 C ATOM 32 OG SER A 3 118.554 -15.187 11.316 1.00 0.00 O ATOM 0 H SER A 3 116.265 -17.257 11.591 1.00 0.00 H new ATOM 0 HA SER A 3 115.464 -14.618 12.450 1.00 0.00 H new ATOM 0 HB2 SER A 3 117.593 -13.516 12.065 1.00 0.00 H new ATOM 0 HB3 SER A 3 117.882 -14.792 13.231 1.00 0.00 H new ATOM 0 HG SER A 3 119.443 -14.817 11.498 1.00 0.00 H new ATOM 38 N THR A 4 115.496 -13.877 9.992 1.00 0.00 N ATOM 39 CA THR A 4 115.211 -13.622 8.582 1.00 0.00 C ATOM 40 C THR A 4 115.854 -12.312 8.140 1.00 0.00 C ATOM 41 O THR A 4 115.835 -11.324 8.875 1.00 0.00 O ATOM 42 CB THR A 4 113.697 -13.547 8.369 1.00 0.00 C ATOM 43 OG1 THR A 4 113.090 -14.725 8.876 1.00 0.00 O ATOM 44 CG2 THR A 4 113.389 -13.414 6.877 1.00 0.00 C ATOM 0 H THR A 4 115.338 -13.078 10.606 1.00 0.00 H new ATOM 0 HA THR A 4 115.624 -14.436 7.987 1.00 0.00 H new ATOM 0 HB THR A 4 113.302 -12.678 8.895 1.00 0.00 H new ATOM 0 HG1 THR A 4 112.120 -14.677 8.742 1.00 0.00 H new ATOM 0 HG21 THR A 4 112.310 -13.361 6.732 1.00 0.00 H new ATOM 0 HG22 THR A 4 113.852 -12.507 6.489 1.00 0.00 H new ATOM 0 HG23 THR A 4 113.785 -14.279 6.345 1.00 0.00 H new ATOM 52 N VAL A 5 116.421 -12.305 6.936 1.00 0.00 N ATOM 53 CA VAL A 5 117.037 -11.092 6.394 1.00 0.00 C ATOM 54 C VAL A 5 116.422 -10.757 5.039 1.00 0.00 C ATOM 55 O VAL A 5 116.483 -11.555 4.105 1.00 0.00 O ATOM 56 CB VAL A 5 118.551 -11.290 6.242 1.00 0.00 C ATOM 57 CG1 VAL A 5 119.201 -9.986 5.767 1.00 0.00 C ATOM 58 CG2 VAL A 5 119.161 -11.687 7.589 1.00 0.00 C ATOM 0 H VAL A 5 116.468 -13.117 6.320 1.00 0.00 H new ATOM 0 HA VAL A 5 116.855 -10.268 7.084 1.00 0.00 H new ATOM 0 HB VAL A 5 118.730 -12.078 5.511 1.00 0.00 H new ATOM 0 HG11 VAL A 5 120.276 -10.133 5.661 1.00 0.00 H new ATOM 0 HG12 VAL A 5 118.777 -9.698 4.805 1.00 0.00 H new ATOM 0 HG13 VAL A 5 119.013 -9.199 6.497 1.00 0.00 H new ATOM 0 HG21 VAL A 5 120.236 -11.826 7.475 1.00 0.00 H new ATOM 0 HG22 VAL A 5 118.973 -10.900 8.320 1.00 0.00 H new ATOM 0 HG23 VAL A 5 118.709 -12.617 7.933 1.00 0.00 H new ATOM 68 N THR A 6 115.828 -9.569 4.938 1.00 0.00 N ATOM 69 CA THR A 6 115.200 -9.134 3.693 1.00 0.00 C ATOM 70 C THR A 6 115.704 -7.754 3.281 1.00 0.00 C ATOM 71 O THR A 6 115.949 -6.893 4.126 1.00 0.00 O ATOM 72 CB THR A 6 113.678 -9.093 3.864 1.00 0.00 C ATOM 73 OG1 THR A 6 113.227 -10.354 4.338 1.00 0.00 O ATOM 74 CG2 THR A 6 113.013 -8.783 2.521 1.00 0.00 C ATOM 0 H THR A 6 115.769 -8.894 5.700 1.00 0.00 H new ATOM 0 HA THR A 6 115.463 -9.847 2.912 1.00 0.00 H new ATOM 0 HB THR A 6 113.414 -8.315 4.580 1.00 0.00 H new ATOM 0 HG1 THR A 6 112.254 -10.332 4.451 1.00 0.00 H new ATOM 0 HG21 THR A 6 111.931 -8.755 2.649 1.00 0.00 H new ATOM 0 HG22 THR A 6 113.361 -7.816 2.158 1.00 0.00 H new ATOM 0 HG23 THR A 6 113.273 -9.557 1.799 1.00 0.00 H new ATOM 82 N GLY A 7 115.868 -7.553 1.980 1.00 0.00 N ATOM 83 CA GLY A 7 116.201 -6.235 1.451 1.00 0.00 C ATOM 84 C GLY A 7 115.318 -5.947 0.247 1.00 0.00 C ATOM 85 O GLY A 7 115.054 -6.851 -0.548 1.00 0.00 O ATOM 0 H GLY A 7 115.776 -8.282 1.273 1.00 0.00 H new ATOM 0 HA2 GLY A 7 116.053 -5.474 2.217 1.00 0.00 H new ATOM 0 HA3 GLY A 7 117.252 -6.199 1.164 1.00 0.00 H new ATOM 89 N GLY A 8 114.857 -4.704 0.110 1.00 0.00 N ATOM 90 CA GLY A 8 113.927 -4.384 -0.967 1.00 0.00 C ATOM 91 C GLY A 8 113.959 -2.908 -1.333 1.00 0.00 C ATOM 92 O GLY A 8 114.673 -2.114 -0.719 1.00 0.00 O ATOM 0 H GLY A 8 115.105 -3.922 0.715 1.00 0.00 H new ATOM 0 HA2 GLY A 8 114.172 -4.980 -1.846 1.00 0.00 H new ATOM 0 HA3 GLY A 8 112.916 -4.660 -0.666 1.00 0.00 H new ATOM 96 N TYR A 9 113.133 -2.555 -2.314 1.00 0.00 N ATOM 97 CA TYR A 9 113.087 -1.192 -2.829 1.00 0.00 C ATOM 98 C TYR A 9 111.701 -0.603 -2.609 1.00 0.00 C ATOM 99 O TYR A 9 110.700 -1.317 -2.672 1.00 0.00 O ATOM 100 CB TYR A 9 113.417 -1.186 -4.324 1.00 0.00 C ATOM 101 CG TYR A 9 114.787 -1.740 -4.636 1.00 0.00 C ATOM 102 CD1 TYR A 9 115.896 -0.888 -4.673 1.00 0.00 C ATOM 103 CD2 TYR A 9 114.948 -3.107 -4.893 1.00 0.00 C ATOM 104 CE1 TYR A 9 117.165 -1.401 -4.965 1.00 0.00 C ATOM 105 CE2 TYR A 9 116.217 -3.620 -5.183 1.00 0.00 C ATOM 106 CZ TYR A 9 117.326 -2.768 -5.220 1.00 0.00 C ATOM 107 OH TYR A 9 118.577 -3.274 -5.508 1.00 0.00 O ATOM 0 H TYR A 9 112.485 -3.198 -2.769 1.00 0.00 H new ATOM 0 HA TYR A 9 113.823 -0.588 -2.298 1.00 0.00 H new ATOM 0 HB2 TYR A 9 112.667 -1.770 -4.857 1.00 0.00 H new ATOM 0 HB3 TYR A 9 113.352 -0.165 -4.699 1.00 0.00 H new ATOM 0 HD1 TYR A 9 115.773 0.167 -4.476 1.00 0.00 H new ATOM 0 HD2 TYR A 9 114.092 -3.766 -4.867 1.00 0.00 H new ATOM 0 HE1 TYR A 9 118.020 -0.742 -4.994 1.00 0.00 H new ATOM 0 HE2 TYR A 9 116.341 -4.675 -5.379 1.00 0.00 H new ATOM 0 HH TYR A 9 118.512 -4.240 -5.658 1.00 0.00 H new ATOM 117 N ALA A 10 111.661 0.692 -2.324 1.00 0.00 N ATOM 118 CA ALA A 10 110.405 1.392 -2.086 1.00 0.00 C ATOM 119 C ALA A 10 110.267 2.555 -3.057 1.00 0.00 C ATOM 120 O ALA A 10 111.235 3.270 -3.310 1.00 0.00 O ATOM 121 CB ALA A 10 110.383 1.931 -0.656 1.00 0.00 C ATOM 0 H ALA A 10 112.490 1.282 -2.252 1.00 0.00 H new ATOM 0 HA ALA A 10 109.579 0.696 -2.232 1.00 0.00 H new ATOM 0 HB1 ALA A 10 109.443 2.454 -0.479 1.00 0.00 H new ATOM 0 HB2 ALA A 10 110.475 1.103 0.047 1.00 0.00 H new ATOM 0 HB3 ALA A 10 111.215 2.621 -0.514 1.00 0.00 H new ATOM 127 N GLN A 11 109.065 2.746 -3.592 1.00 0.00 N ATOM 128 CA GLN A 11 108.796 3.888 -4.461 1.00 0.00 C ATOM 129 C GLN A 11 107.603 4.658 -3.919 1.00 0.00 C ATOM 130 O GLN A 11 106.578 4.059 -3.598 1.00 0.00 O ATOM 131 CB GLN A 11 108.499 3.406 -5.882 1.00 0.00 C ATOM 132 CG GLN A 11 109.735 2.698 -6.454 1.00 0.00 C ATOM 133 CD GLN A 11 109.579 2.305 -7.934 1.00 0.00 C ATOM 134 OE1 GLN A 11 110.527 1.774 -8.514 1.00 0.00 O ATOM 135 NE2 GLN A 11 108.467 2.511 -8.597 1.00 0.00 N ATOM 0 H GLN A 11 108.266 2.130 -3.441 1.00 0.00 H new ATOM 0 HA GLN A 11 109.671 4.538 -4.486 1.00 0.00 H new ATOM 0 HB2 GLN A 11 107.648 2.725 -5.876 1.00 0.00 H new ATOM 0 HB3 GLN A 11 108.226 4.251 -6.514 1.00 0.00 H new ATOM 0 HG2 GLN A 11 110.601 3.351 -6.348 1.00 0.00 H new ATOM 0 HG3 GLN A 11 109.937 1.802 -5.866 1.00 0.00 H new ATOM 0 HE21 GLN A 11 107.671 2.949 -8.134 1.00 0.00 H new ATOM 0 HE22 GLN A 11 108.398 2.233 -9.576 1.00 0.00 H new ATOM 144 N SER A 12 107.736 5.978 -3.816 1.00 0.00 N ATOM 145 CA SER A 12 106.651 6.809 -3.298 1.00 0.00 C ATOM 146 C SER A 12 106.171 7.769 -4.376 1.00 0.00 C ATOM 147 O SER A 12 106.979 8.283 -5.153 1.00 0.00 O ATOM 148 CB SER A 12 107.127 7.602 -2.082 1.00 0.00 C ATOM 149 OG SER A 12 107.682 6.710 -1.127 1.00 0.00 O ATOM 0 H SER A 12 108.576 6.492 -4.081 1.00 0.00 H new ATOM 0 HA SER A 12 105.827 6.160 -3.000 1.00 0.00 H new ATOM 0 HB2 SER A 12 107.871 8.339 -2.383 1.00 0.00 H new ATOM 0 HB3 SER A 12 106.294 8.151 -1.643 1.00 0.00 H new ATOM 0 HG SER A 12 106.961 6.297 -0.607 1.00 0.00 H new ATOM 155 N ASP A 13 104.870 8.050 -4.367 1.00 0.00 N ATOM 156 CA ASP A 13 104.260 8.836 -5.432 1.00 0.00 C ATOM 157 C ASP A 13 104.537 10.323 -5.249 1.00 0.00 C ATOM 158 O ASP A 13 104.495 10.850 -4.136 1.00 0.00 O ATOM 159 CB ASP A 13 102.749 8.597 -5.453 1.00 0.00 C ATOM 160 CG ASP A 13 102.442 7.136 -5.772 1.00 0.00 C ATOM 161 OD1 ASP A 13 103.214 6.528 -6.498 1.00 0.00 O ATOM 162 OD2 ASP A 13 101.437 6.645 -5.285 1.00 0.00 O ATOM 0 H ASP A 13 104.223 7.747 -3.639 1.00 0.00 H new ATOM 0 HA ASP A 13 104.698 8.519 -6.378 1.00 0.00 H new ATOM 0 HB2 ASP A 13 102.320 8.862 -4.487 1.00 0.00 H new ATOM 0 HB3 ASP A 13 102.283 9.243 -6.197 1.00 0.00 H new ATOM 167 N ALA A 14 104.820 10.987 -6.363 1.00 0.00 N ATOM 168 CA ALA A 14 105.172 12.402 -6.355 1.00 0.00 C ATOM 169 C ALA A 14 104.031 13.255 -6.899 1.00 0.00 C ATOM 170 O ALA A 14 103.328 12.857 -7.829 1.00 0.00 O ATOM 171 CB ALA A 14 106.433 12.628 -7.195 1.00 0.00 C ATOM 0 H ALA A 14 104.812 10.564 -7.291 1.00 0.00 H new ATOM 0 HA ALA A 14 105.361 12.700 -5.324 1.00 0.00 H new ATOM 0 HB1 ALA A 14 106.691 13.687 -7.186 1.00 0.00 H new ATOM 0 HB2 ALA A 14 107.257 12.050 -6.777 1.00 0.00 H new ATOM 0 HB3 ALA A 14 106.249 12.309 -8.221 1.00 0.00 H new ATOM 177 N GLN A 15 103.857 14.430 -6.308 1.00 0.00 N ATOM 178 CA GLN A 15 102.856 15.380 -6.775 1.00 0.00 C ATOM 179 C GLN A 15 103.486 16.287 -7.825 1.00 0.00 C ATOM 180 O GLN A 15 104.698 16.493 -7.825 1.00 0.00 O ATOM 181 CB GLN A 15 102.325 16.216 -5.609 1.00 0.00 C ATOM 182 CG GLN A 15 101.598 15.308 -4.614 1.00 0.00 C ATOM 183 CD GLN A 15 101.133 16.106 -3.399 1.00 0.00 C ATOM 184 OE1 GLN A 15 101.625 17.206 -3.141 1.00 0.00 O ATOM 185 NE2 GLN A 15 100.200 15.615 -2.629 1.00 0.00 N ATOM 0 H GLN A 15 104.397 14.748 -5.503 1.00 0.00 H new ATOM 0 HA GLN A 15 102.019 14.836 -7.212 1.00 0.00 H new ATOM 0 HB2 GLN A 15 103.148 16.730 -5.113 1.00 0.00 H new ATOM 0 HB3 GLN A 15 101.646 16.984 -5.979 1.00 0.00 H new ATOM 0 HG2 GLN A 15 100.741 14.841 -5.099 1.00 0.00 H new ATOM 0 HG3 GLN A 15 102.261 14.504 -4.296 1.00 0.00 H new ATOM 0 HE21 GLN A 15 99.791 14.705 -2.840 1.00 0.00 H new ATOM 0 HE22 GLN A 15 99.880 16.142 -1.816 1.00 0.00 H new ATOM 194 N GLY A 16 102.664 16.817 -8.727 1.00 0.00 N ATOM 195 CA GLY A 16 103.170 17.499 -9.918 1.00 0.00 C ATOM 196 C GLY A 16 104.243 18.535 -9.584 1.00 0.00 C ATOM 197 O GLY A 16 104.280 19.075 -8.479 1.00 0.00 O ATOM 0 H GLY A 16 101.647 16.788 -8.658 1.00 0.00 H new ATOM 0 HA2 GLY A 16 103.582 16.762 -10.608 1.00 0.00 H new ATOM 0 HA3 GLY A 16 102.343 17.989 -10.432 1.00 0.00 H new ATOM 201 N GLN A 17 105.126 18.758 -10.552 1.00 0.00 N ATOM 202 CA GLN A 17 106.297 19.622 -10.382 1.00 0.00 C ATOM 203 C GLN A 17 107.264 19.069 -9.329 1.00 0.00 C ATOM 204 O GLN A 17 107.959 19.834 -8.662 1.00 0.00 O ATOM 205 CB GLN A 17 105.876 21.045 -10.002 1.00 0.00 C ATOM 206 CG GLN A 17 105.024 21.641 -11.127 1.00 0.00 C ATOM 207 CD GLN A 17 104.519 23.029 -10.739 1.00 0.00 C ATOM 208 OE1 GLN A 17 104.510 23.390 -9.562 1.00 0.00 O ATOM 209 NE2 GLN A 17 104.091 23.835 -11.672 1.00 0.00 N ATOM 0 H GLN A 17 105.052 18.345 -11.482 1.00 0.00 H new ATOM 0 HA GLN A 17 106.816 19.647 -11.340 1.00 0.00 H new ATOM 0 HB2 GLN A 17 105.310 21.032 -9.070 1.00 0.00 H new ATOM 0 HB3 GLN A 17 106.757 21.664 -9.831 1.00 0.00 H new ATOM 0 HG2 GLN A 17 105.613 21.705 -12.042 1.00 0.00 H new ATOM 0 HG3 GLN A 17 104.179 20.986 -11.337 1.00 0.00 H new ATOM 0 HE21 GLN A 17 104.098 23.536 -12.647 1.00 0.00 H new ATOM 0 HE22 GLN A 17 103.749 24.764 -11.426 1.00 0.00 H new ATOM 218 N MET A 18 107.322 17.743 -9.205 1.00 0.00 N ATOM 219 CA MET A 18 108.295 17.089 -8.333 1.00 0.00 C ATOM 220 C MET A 18 108.634 15.704 -8.876 1.00 0.00 C ATOM 221 O MET A 18 107.954 15.194 -9.764 1.00 0.00 O ATOM 222 CB MET A 18 107.758 16.958 -6.904 1.00 0.00 C ATOM 223 CG MET A 18 107.553 18.348 -6.297 1.00 0.00 C ATOM 224 SD MET A 18 107.184 18.193 -4.530 1.00 0.00 S ATOM 225 CE MET A 18 105.688 17.188 -4.689 1.00 0.00 C ATOM 0 H MET A 18 106.704 17.100 -9.700 1.00 0.00 H new ATOM 0 HA MET A 18 109.193 17.706 -8.310 1.00 0.00 H new ATOM 0 HB2 MET A 18 106.815 16.411 -6.909 1.00 0.00 H new ATOM 0 HB3 MET A 18 108.456 16.384 -6.295 1.00 0.00 H new ATOM 0 HG2 MET A 18 108.448 18.954 -6.440 1.00 0.00 H new ATOM 0 HG3 MET A 18 106.737 18.861 -6.805 1.00 0.00 H new ATOM 0 HE1 MET A 18 105.056 17.335 -3.813 1.00 0.00 H new ATOM 0 HE2 MET A 18 105.142 17.487 -5.584 1.00 0.00 H new ATOM 0 HE3 MET A 18 105.963 16.136 -4.766 1.00 0.00 H new ATOM 235 N ASN A 19 109.691 15.099 -8.339 1.00 0.00 N ATOM 236 CA ASN A 19 110.112 13.768 -8.775 1.00 0.00 C ATOM 237 C ASN A 19 109.832 12.728 -7.693 1.00 0.00 C ATOM 238 O ASN A 19 109.917 13.022 -6.500 1.00 0.00 O ATOM 239 CB ASN A 19 111.607 13.773 -9.098 1.00 0.00 C ATOM 240 CG ASN A 19 111.973 12.513 -9.875 1.00 0.00 C ATOM 241 OD1 ASN A 19 112.721 11.605 -9.309 1.00 0.00 O flip ATOM 242 ND2 ASN A 19 111.566 12.351 -11.025 1.00 0.00 N flip ATOM 0 H ASN A 19 110.270 15.506 -7.605 1.00 0.00 H new ATOM 0 HA ASN A 19 109.544 13.507 -9.668 1.00 0.00 H new ATOM 0 HB2 ASN A 19 111.859 14.658 -9.683 1.00 0.00 H new ATOM 0 HB3 ASN A 19 112.187 13.824 -8.177 1.00 0.00 H new ATOM 0 HD21 ASN A 19 110.982 13.062 -11.464 1.00 0.00 H new ATOM 0 HD22 ASN A 19 111.813 11.505 -11.539 1.00 0.00 H new ATOM 249 N LYS A 20 109.496 11.513 -8.117 1.00 0.00 N ATOM 250 CA LYS A 20 109.229 10.426 -7.179 1.00 0.00 C ATOM 251 C LYS A 20 110.400 10.227 -6.217 1.00 0.00 C ATOM 252 O LYS A 20 111.478 10.783 -6.421 1.00 0.00 O ATOM 253 CB LYS A 20 108.915 9.135 -7.954 1.00 0.00 C ATOM 254 CG LYS A 20 110.157 8.622 -8.694 1.00 0.00 C ATOM 255 CD LYS A 20 109.777 7.414 -9.553 1.00 0.00 C ATOM 256 CE LYS A 20 111.045 6.713 -10.042 1.00 0.00 C ATOM 257 NZ LYS A 20 110.744 5.948 -11.283 1.00 0.00 N ATOM 0 H LYS A 20 109.402 11.257 -9.100 1.00 0.00 H new ATOM 0 HA LYS A 20 108.360 10.689 -6.576 1.00 0.00 H new ATOM 0 HB2 LYS A 20 108.557 8.371 -7.264 1.00 0.00 H new ATOM 0 HB3 LYS A 20 108.113 9.321 -8.668 1.00 0.00 H new ATOM 0 HG2 LYS A 20 110.572 9.411 -9.321 1.00 0.00 H new ATOM 0 HG3 LYS A 20 110.931 8.344 -7.978 1.00 0.00 H new ATOM 0 HD2 LYS A 20 109.166 6.721 -8.974 1.00 0.00 H new ATOM 0 HD3 LYS A 20 109.176 7.735 -10.404 1.00 0.00 H new ATOM 0 HE2 LYS A 20 111.827 7.447 -10.236 1.00 0.00 H new ATOM 0 HE3 LYS A 20 111.422 6.041 -9.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 111.607 5.472 -11.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 110.011 5.238 -11.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 110.404 6.600 -12.019 1.00 0.00 H new ATOM 271 N MET A 21 110.185 9.430 -5.172 1.00 0.00 N ATOM 272 CA MET A 21 111.224 9.210 -4.164 1.00 0.00 C ATOM 273 C MET A 21 111.624 7.740 -4.133 1.00 0.00 C ATOM 274 O MET A 21 110.779 6.867 -4.333 1.00 0.00 O ATOM 275 CB MET A 21 110.703 9.617 -2.786 1.00 0.00 C ATOM 276 CG MET A 21 110.318 11.098 -2.795 1.00 0.00 C ATOM 277 SD MET A 21 109.752 11.582 -1.145 1.00 0.00 S ATOM 278 CE MET A 21 109.265 13.274 -1.559 1.00 0.00 C ATOM 0 H MET A 21 109.312 8.931 -5.001 1.00 0.00 H new ATOM 0 HA MET A 21 112.093 9.815 -4.422 1.00 0.00 H new ATOM 0 HB2 MET A 21 109.839 9.009 -2.519 1.00 0.00 H new ATOM 0 HB3 MET A 21 111.467 9.435 -2.030 1.00 0.00 H new ATOM 0 HG2 MET A 21 111.173 11.706 -3.091 1.00 0.00 H new ATOM 0 HG3 MET A 21 109.531 11.276 -3.528 1.00 0.00 H new ATOM 0 HE1 MET A 21 109.373 13.909 -0.680 1.00 0.00 H new ATOM 0 HE2 MET A 21 109.902 13.650 -2.359 1.00 0.00 H new ATOM 0 HE3 MET A 21 108.226 13.283 -1.887 1.00 0.00 H new ATOM 288 N GLY A 22 112.901 7.467 -3.854 1.00 0.00 N ATOM 289 CA GLY A 22 113.390 6.090 -3.828 1.00 0.00 C ATOM 290 C GLY A 22 113.954 5.755 -2.454 1.00 0.00 C ATOM 291 O GLY A 22 114.689 6.549 -1.877 1.00 0.00 O ATOM 0 H GLY A 22 113.607 8.173 -3.645 1.00 0.00 H new ATOM 0 HA2 GLY A 22 112.579 5.404 -4.073 1.00 0.00 H new ATOM 0 HA3 GLY A 22 114.160 5.956 -4.587 1.00 0.00 H new ATOM 295 N GLY A 23 113.609 4.582 -1.932 1.00 0.00 N ATOM 296 CA GLY A 23 114.040 4.199 -0.589 1.00 0.00 C ATOM 297 C GLY A 23 114.517 2.753 -0.544 1.00 0.00 C ATOM 298 O GLY A 23 113.973 1.893 -1.232 1.00 0.00 O ATOM 0 H GLY A 23 113.038 3.886 -2.411 1.00 0.00 H new ATOM 0 HA2 GLY A 23 114.844 4.858 -0.263 1.00 0.00 H new ATOM 0 HA3 GLY A 23 113.215 4.332 0.110 1.00 0.00 H new ATOM 302 N PHE A 24 115.549 2.496 0.251 1.00 0.00 N ATOM 303 CA PHE A 24 116.052 1.134 0.430 1.00 0.00 C ATOM 304 C PHE A 24 115.740 0.678 1.850 1.00 0.00 C ATOM 305 O PHE A 24 115.919 1.448 2.794 1.00 0.00 O ATOM 306 CB PHE A 24 117.562 1.094 0.188 1.00 0.00 C ATOM 307 CG PHE A 24 118.147 -0.295 0.265 1.00 0.00 C ATOM 308 CD1 PHE A 24 118.224 -1.088 -0.885 1.00 0.00 C ATOM 309 CD2 PHE A 24 118.614 -0.790 1.488 1.00 0.00 C ATOM 310 CE1 PHE A 24 118.766 -2.376 -0.815 1.00 0.00 C ATOM 311 CE2 PHE A 24 119.157 -2.078 1.561 1.00 0.00 C ATOM 312 CZ PHE A 24 119.234 -2.872 0.409 1.00 0.00 C ATOM 0 H PHE A 24 116.053 3.207 0.781 1.00 0.00 H new ATOM 0 HA PHE A 24 115.570 0.468 -0.286 1.00 0.00 H new ATOM 0 HB2 PHE A 24 117.776 1.516 -0.794 1.00 0.00 H new ATOM 0 HB3 PHE A 24 118.057 1.729 0.923 1.00 0.00 H new ATOM 0 HD1 PHE A 24 117.864 -0.705 -1.829 1.00 0.00 H new ATOM 0 HD2 PHE A 24 118.555 -0.178 2.376 1.00 0.00 H new ATOM 0 HE1 PHE A 24 118.824 -2.987 -1.704 1.00 0.00 H new ATOM 0 HE2 PHE A 24 119.517 -2.460 2.505 1.00 0.00 H new ATOM 0 HZ PHE A 24 119.654 -3.866 0.465 1.00 0.00 H new ATOM 322 N ASN A 25 115.257 -0.557 2.002 1.00 0.00 N ATOM 323 CA ASN A 25 114.797 -1.022 3.309 1.00 0.00 C ATOM 324 C ASN A 25 115.370 -2.390 3.661 1.00 0.00 C ATOM 325 O ASN A 25 115.555 -3.239 2.790 1.00 0.00 O ATOM 326 CB ASN A 25 113.267 -1.094 3.311 1.00 0.00 C ATOM 327 CG ASN A 25 112.780 -2.090 2.262 1.00 0.00 C ATOM 328 OD1 ASN A 25 113.081 -3.280 2.347 1.00 0.00 O ATOM 329 ND2 ASN A 25 112.037 -1.671 1.275 1.00 0.00 N ATOM 0 H ASN A 25 115.175 -1.241 1.250 1.00 0.00 H new ATOM 0 HA ASN A 25 115.146 -0.312 4.059 1.00 0.00 H new ATOM 0 HB2 ASN A 25 112.912 -1.392 4.297 1.00 0.00 H new ATOM 0 HB3 ASN A 25 112.850 -0.108 3.107 1.00 0.00 H new ATOM 0 HD21 ASN A 25 111.704 -2.330 0.572 1.00 0.00 H new ATOM 0 HD22 ASN A 25 111.789 -0.684 1.207 1.00 0.00 H new ATOM 336 N LEU A 26 115.652 -2.578 4.948 1.00 0.00 N ATOM 337 CA LEU A 26 116.080 -3.875 5.465 1.00 0.00 C ATOM 338 C LEU A 26 115.149 -4.297 6.596 1.00 0.00 C ATOM 339 O LEU A 26 114.742 -3.461 7.404 1.00 0.00 O ATOM 340 CB LEU A 26 117.516 -3.789 5.984 1.00 0.00 C ATOM 341 CG LEU A 26 118.450 -3.317 4.865 1.00 0.00 C ATOM 342 CD1 LEU A 26 119.861 -3.132 5.427 1.00 0.00 C ATOM 343 CD2 LEU A 26 118.483 -4.367 3.749 1.00 0.00 C ATOM 0 H LEU A 26 115.591 -1.845 5.655 1.00 0.00 H new ATOM 0 HA LEU A 26 116.041 -4.612 4.663 1.00 0.00 H new ATOM 0 HB2 LEU A 26 117.566 -3.099 6.826 1.00 0.00 H new ATOM 0 HB3 LEU A 26 117.838 -4.764 6.351 1.00 0.00 H new ATOM 0 HG LEU A 26 118.087 -2.371 4.464 1.00 0.00 H new ATOM 0 HD11 LEU A 26 120.528 -2.796 4.633 1.00 0.00 H new ATOM 0 HD12 LEU A 26 119.841 -2.388 6.223 1.00 0.00 H new ATOM 0 HD13 LEU A 26 120.221 -4.080 5.826 1.00 0.00 H new ATOM 0 HD21 LEU A 26 119.147 -4.031 2.953 1.00 0.00 H new ATOM 0 HD22 LEU A 26 118.847 -5.313 4.150 1.00 0.00 H new ATOM 0 HD23 LEU A 26 117.478 -4.505 3.349 1.00 0.00 H new ATOM 355 N LYS A 27 114.809 -5.584 6.655 1.00 0.00 N ATOM 356 CA LYS A 27 113.859 -6.069 7.655 1.00 0.00 C ATOM 357 C LYS A 27 114.418 -7.270 8.404 1.00 0.00 C ATOM 358 O LYS A 27 115.082 -8.127 7.823 1.00 0.00 O ATOM 359 CB LYS A 27 112.551 -6.473 6.970 1.00 0.00 C ATOM 360 CG LYS A 27 111.924 -5.256 6.291 1.00 0.00 C ATOM 361 CD LYS A 27 110.565 -5.643 5.703 1.00 0.00 C ATOM 362 CE LYS A 27 109.994 -4.460 4.917 1.00 0.00 C ATOM 363 NZ LYS A 27 109.621 -3.370 5.862 1.00 0.00 N ATOM 0 H LYS A 27 115.173 -6.303 6.029 1.00 0.00 H new ATOM 0 HA LYS A 27 113.678 -5.265 8.368 1.00 0.00 H new ATOM 0 HB2 LYS A 27 112.742 -7.254 6.234 1.00 0.00 H new ATOM 0 HB3 LYS A 27 111.859 -6.888 7.703 1.00 0.00 H new ATOM 0 HG2 LYS A 27 111.803 -4.447 7.011 1.00 0.00 H new ATOM 0 HG3 LYS A 27 112.581 -4.887 5.504 1.00 0.00 H new ATOM 0 HD2 LYS A 27 110.673 -6.509 5.050 1.00 0.00 H new ATOM 0 HD3 LYS A 27 109.879 -5.928 6.501 1.00 0.00 H new ATOM 0 HE2 LYS A 27 110.730 -4.098 4.199 1.00 0.00 H new ATOM 0 HE3 LYS A 27 109.121 -4.776 4.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 108.716 -2.950 5.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 109.526 -3.760 6.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 110.360 -2.638 5.857 1.00 0.00 H new ATOM 377 N TYR A 28 114.140 -7.324 9.704 1.00 0.00 N ATOM 378 CA TYR A 28 114.505 -8.477 10.520 1.00 0.00 C ATOM 379 C TYR A 28 113.245 -9.067 11.140 1.00 0.00 C ATOM 380 O TYR A 28 112.438 -8.335 11.710 1.00 0.00 O ATOM 381 CB TYR A 28 115.475 -8.054 11.623 1.00 0.00 C ATOM 382 CG TYR A 28 116.755 -7.448 11.100 1.00 0.00 C ATOM 383 CD1 TYR A 28 117.857 -8.266 10.830 1.00 0.00 C ATOM 384 CD2 TYR A 28 116.838 -6.067 10.885 1.00 0.00 C ATOM 385 CE1 TYR A 28 119.043 -7.705 10.344 1.00 0.00 C ATOM 386 CE2 TYR A 28 118.026 -5.504 10.399 1.00 0.00 C ATOM 387 CZ TYR A 28 119.128 -6.322 10.129 1.00 0.00 C ATOM 388 OH TYR A 28 120.298 -5.770 9.651 1.00 0.00 O ATOM 0 H TYR A 28 113.663 -6.581 10.215 1.00 0.00 H new ATOM 0 HA TYR A 28 114.992 -9.225 9.894 1.00 0.00 H new ATOM 0 HB2 TYR A 28 114.980 -7.333 12.274 1.00 0.00 H new ATOM 0 HB3 TYR A 28 115.717 -8.922 12.235 1.00 0.00 H new ATOM 0 HD1 TYR A 28 117.792 -9.331 10.997 1.00 0.00 H new ATOM 0 HD2 TYR A 28 115.987 -5.436 11.094 1.00 0.00 H new ATOM 0 HE1 TYR A 28 119.893 -8.337 10.134 1.00 0.00 H new ATOM 0 HE2 TYR A 28 118.091 -4.439 10.233 1.00 0.00 H new ATOM 0 HH TYR A 28 120.188 -4.801 9.558 1.00 0.00 H new ATOM 398 N ARG A 29 113.073 -10.380 11.008 1.00 0.00 N ATOM 399 CA ARG A 29 111.876 -11.043 11.518 1.00 0.00 C ATOM 400 C ARG A 29 112.246 -12.315 12.273 1.00 0.00 C ATOM 401 O ARG A 29 113.184 -13.017 11.898 1.00 0.00 O ATOM 402 CB ARG A 29 110.944 -11.400 10.360 1.00 0.00 C ATOM 403 CG ARG A 29 110.467 -10.118 9.673 1.00 0.00 C ATOM 404 CD ARG A 29 109.439 -10.452 8.587 1.00 0.00 C ATOM 405 NE ARG A 29 110.006 -11.368 7.594 1.00 0.00 N ATOM 406 CZ ARG A 29 109.626 -11.391 6.307 1.00 0.00 C ATOM 407 NH1 ARG A 29 108.693 -10.599 5.834 1.00 0.00 N ATOM 408 NH2 ARG A 29 110.201 -12.237 5.496 1.00 0.00 N ATOM 0 H ARG A 29 113.742 -11.002 10.555 1.00 0.00 H new ATOM 0 HA ARG A 29 111.371 -10.359 12.200 1.00 0.00 H new ATOM 0 HB2 ARG A 29 111.464 -12.037 9.644 1.00 0.00 H new ATOM 0 HB3 ARG A 29 110.089 -11.967 10.729 1.00 0.00 H new ATOM 0 HG2 ARG A 29 110.025 -9.445 10.408 1.00 0.00 H new ATOM 0 HG3 ARG A 29 111.316 -9.595 9.232 1.00 0.00 H new ATOM 0 HD2 ARG A 29 108.557 -10.903 9.042 1.00 0.00 H new ATOM 0 HD3 ARG A 29 109.111 -9.535 8.097 1.00 0.00 H new ATOM 0 HE ARG A 29 110.727 -12.023 7.897 1.00 0.00 H new ATOM 0 HH11 ARG A 29 108.227 -9.934 6.451 1.00 0.00 H new ATOM 0 HH12 ARG A 29 108.433 -10.648 4.849 1.00 0.00 H new ATOM 0 HH21 ARG A 29 110.925 -12.865 5.844 1.00 0.00 H new ATOM 0 HH22 ARG A 29 109.926 -12.270 4.514 1.00 0.00 H new ATOM 422 N TYR A 30 111.505 -12.607 13.340 1.00 0.00 N ATOM 423 CA TYR A 30 111.715 -13.840 14.090 1.00 0.00 C ATOM 424 C TYR A 30 110.566 -14.803 13.818 1.00 0.00 C ATOM 425 O TYR A 30 109.417 -14.379 13.683 1.00 0.00 O ATOM 426 CB TYR A 30 111.793 -13.534 15.587 1.00 0.00 C ATOM 427 CG TYR A 30 112.952 -12.638 15.953 1.00 0.00 C ATOM 428 CD1 TYR A 30 114.222 -13.190 16.171 1.00 0.00 C ATOM 429 CD2 TYR A 30 112.761 -11.257 16.072 1.00 0.00 C ATOM 430 CE1 TYR A 30 115.297 -12.360 16.509 1.00 0.00 C ATOM 431 CE2 TYR A 30 113.836 -10.426 16.409 1.00 0.00 C ATOM 432 CZ TYR A 30 115.104 -10.979 16.627 1.00 0.00 C ATOM 433 OH TYR A 30 116.166 -10.160 16.960 1.00 0.00 O ATOM 0 H TYR A 30 110.760 -12.011 13.701 1.00 0.00 H new ATOM 0 HA TYR A 30 112.652 -14.298 13.774 1.00 0.00 H new ATOM 0 HB2 TYR A 30 110.863 -13.061 15.903 1.00 0.00 H new ATOM 0 HB3 TYR A 30 111.878 -14.470 16.138 1.00 0.00 H new ATOM 0 HD1 TYR A 30 114.371 -14.256 16.078 1.00 0.00 H new ATOM 0 HD2 TYR A 30 111.783 -10.832 15.904 1.00 0.00 H new ATOM 0 HE1 TYR A 30 116.275 -12.785 16.679 1.00 0.00 H new ATOM 0 HE2 TYR A 30 113.688 -9.360 16.501 1.00 0.00 H new ATOM 0 HH TYR A 30 115.862 -9.229 16.999 1.00 0.00 H new ATOM 443 N GLU A 31 110.875 -16.095 13.741 1.00 0.00 N ATOM 444 CA GLU A 31 109.848 -17.086 13.443 1.00 0.00 C ATOM 445 C GLU A 31 109.263 -17.635 14.738 1.00 0.00 C ATOM 446 O GLU A 31 109.969 -18.223 15.558 1.00 0.00 O ATOM 447 CB GLU A 31 110.439 -18.229 12.615 1.00 0.00 C ATOM 448 CG GLU A 31 110.961 -17.680 11.282 1.00 0.00 C ATOM 449 CD GLU A 31 109.832 -17.066 10.448 1.00 0.00 C ATOM 450 OE1 GLU A 31 108.675 -17.354 10.715 1.00 0.00 O ATOM 451 OE2 GLU A 31 110.148 -16.312 9.544 1.00 0.00 O ATOM 0 H GLU A 31 111.812 -16.474 13.878 1.00 0.00 H new ATOM 0 HA GLU A 31 109.056 -16.607 12.868 1.00 0.00 H new ATOM 0 HB2 GLU A 31 111.249 -18.709 13.165 1.00 0.00 H new ATOM 0 HB3 GLU A 31 109.681 -18.991 12.434 1.00 0.00 H new ATOM 0 HG2 GLU A 31 111.726 -16.927 11.472 1.00 0.00 H new ATOM 0 HG3 GLU A 31 111.437 -18.482 10.718 1.00 0.00 H new ATOM 458 N GLU A 32 107.961 -17.431 14.906 1.00 0.00 N ATOM 459 CA GLU A 32 107.278 -17.780 16.146 1.00 0.00 C ATOM 460 C GLU A 32 106.060 -18.657 15.871 1.00 0.00 C ATOM 461 O GLU A 32 105.466 -18.602 14.794 1.00 0.00 O ATOM 462 CB GLU A 32 106.845 -16.508 16.875 1.00 0.00 C ATOM 463 CG GLU A 32 108.085 -15.674 17.220 1.00 0.00 C ATOM 464 CD GLU A 32 109.024 -16.430 18.164 1.00 0.00 C ATOM 465 OE1 GLU A 32 108.591 -17.384 18.791 1.00 0.00 O ATOM 466 OE2 GLU A 32 110.175 -16.038 18.244 1.00 0.00 O ATOM 0 H GLU A 32 107.355 -17.023 14.194 1.00 0.00 H new ATOM 0 HA GLU A 32 107.971 -18.342 16.772 1.00 0.00 H new ATOM 0 HB2 GLU A 32 106.166 -15.929 16.249 1.00 0.00 H new ATOM 0 HB3 GLU A 32 106.300 -16.764 17.784 1.00 0.00 H new ATOM 0 HG2 GLU A 32 108.618 -15.416 16.305 1.00 0.00 H new ATOM 0 HG3 GLU A 32 107.777 -14.737 17.684 1.00 0.00 H new ATOM 473 N ASP A 33 105.700 -19.462 16.862 1.00 0.00 N ATOM 474 CA ASP A 33 104.573 -20.379 16.738 1.00 0.00 C ATOM 475 C ASP A 33 103.252 -19.619 16.825 1.00 0.00 C ATOM 476 O ASP A 33 103.228 -18.390 16.879 1.00 0.00 O ATOM 477 CB ASP A 33 104.633 -21.434 17.846 1.00 0.00 C ATOM 478 CG ASP A 33 105.893 -22.285 17.704 1.00 0.00 C ATOM 479 OD1 ASP A 33 106.335 -22.484 16.584 1.00 0.00 O ATOM 480 OD2 ASP A 33 106.399 -22.726 18.723 1.00 0.00 O ATOM 0 H ASP A 33 106.174 -19.499 17.764 1.00 0.00 H new ATOM 0 HA ASP A 33 104.633 -20.870 15.767 1.00 0.00 H new ATOM 0 HB2 ASP A 33 104.623 -20.947 18.821 1.00 0.00 H new ATOM 0 HB3 ASP A 33 103.749 -22.071 17.799 1.00 0.00 H new ATOM 485 N ASN A 34 102.153 -20.356 16.753 1.00 0.00 N ATOM 486 CA ASN A 34 100.831 -19.748 16.805 1.00 0.00 C ATOM 487 C ASN A 34 100.628 -18.905 18.067 1.00 0.00 C ATOM 488 O ASN A 34 99.920 -17.899 18.020 1.00 0.00 O ATOM 489 CB ASN A 34 99.760 -20.841 16.750 1.00 0.00 C ATOM 490 CG ASN A 34 99.871 -21.616 15.442 1.00 0.00 C ATOM 491 OD1 ASN A 34 99.835 -22.846 15.443 1.00 0.00 O ATOM 492 ND2 ASN A 34 100.004 -20.968 14.317 1.00 0.00 N ATOM 0 H ASN A 34 102.150 -21.372 16.659 1.00 0.00 H new ATOM 0 HA ASN A 34 100.744 -19.084 15.945 1.00 0.00 H new ATOM 0 HB2 ASN A 34 99.878 -21.519 17.595 1.00 0.00 H new ATOM 0 HB3 ASN A 34 98.769 -20.395 16.835 1.00 0.00 H new ATOM 0 HD21 ASN A 34 100.078 -21.481 13.439 1.00 0.00 H new ATOM 0 HD22 ASN A 34 100.034 -19.948 14.316 1.00 0.00 H new ATOM 499 N SER A 35 101.239 -19.302 19.187 1.00 0.00 N ATOM 500 CA SER A 35 100.924 -18.661 20.465 1.00 0.00 C ATOM 501 C SER A 35 101.852 -17.496 20.839 1.00 0.00 C ATOM 502 O SER A 35 101.428 -16.616 21.591 1.00 0.00 O ATOM 503 CB SER A 35 100.973 -19.707 21.578 1.00 0.00 C ATOM 504 OG SER A 35 100.003 -20.712 21.317 1.00 0.00 O ATOM 0 H SER A 35 101.937 -20.045 19.236 1.00 0.00 H new ATOM 0 HA SER A 35 99.927 -18.235 20.349 1.00 0.00 H new ATOM 0 HB2 SER A 35 101.967 -20.150 21.634 1.00 0.00 H new ATOM 0 HB3 SER A 35 100.778 -19.238 22.543 1.00 0.00 H new ATOM 0 HG SER A 35 100.032 -21.387 22.027 1.00 0.00 H new ATOM 510 N PRO A 36 103.077 -17.444 20.371 1.00 0.00 N ATOM 511 CA PRO A 36 103.886 -16.195 20.431 1.00 0.00 C ATOM 512 C PRO A 36 103.946 -15.490 19.075 1.00 0.00 C ATOM 513 O PRO A 36 104.128 -16.126 18.037 1.00 0.00 O ATOM 514 CB PRO A 36 105.272 -16.688 20.872 1.00 0.00 C ATOM 515 CG PRO A 36 105.262 -18.181 20.738 1.00 0.00 C ATOM 516 CD PRO A 36 103.961 -18.563 20.034 1.00 0.00 C ATOM 0 HA PRO A 36 103.463 -15.454 21.109 1.00 0.00 H new ATOM 0 HB2 PRO A 36 106.054 -16.249 20.252 1.00 0.00 H new ATOM 0 HB3 PRO A 36 105.478 -16.393 21.901 1.00 0.00 H new ATOM 0 HG2 PRO A 36 106.124 -18.522 20.164 1.00 0.00 H new ATOM 0 HG3 PRO A 36 105.323 -18.656 21.717 1.00 0.00 H new ATOM 0 HD2 PRO A 36 104.097 -18.663 18.957 1.00 0.00 H new ATOM 0 HD3 PRO A 36 103.568 -19.513 20.395 1.00 0.00 H new ATOM 524 N LEU A 37 103.783 -14.170 19.096 1.00 0.00 N ATOM 525 CA LEU A 37 103.760 -13.382 17.866 1.00 0.00 C ATOM 526 C LEU A 37 105.170 -13.160 17.325 1.00 0.00 C ATOM 527 O LEU A 37 106.144 -13.170 18.077 1.00 0.00 O ATOM 528 CB LEU A 37 103.098 -12.025 18.124 1.00 0.00 C ATOM 529 CG LEU A 37 101.688 -12.223 18.691 1.00 0.00 C ATOM 530 CD1 LEU A 37 101.080 -10.860 19.025 1.00 0.00 C ATOM 531 CD2 LEU A 37 100.809 -12.926 17.655 1.00 0.00 C ATOM 0 H LEU A 37 103.665 -13.624 19.949 1.00 0.00 H new ATOM 0 HA LEU A 37 103.187 -13.938 17.124 1.00 0.00 H new ATOM 0 HB2 LEU A 37 103.701 -11.445 18.823 1.00 0.00 H new ATOM 0 HB3 LEU A 37 103.048 -11.454 17.197 1.00 0.00 H new ATOM 0 HG LEU A 37 101.745 -12.833 19.593 1.00 0.00 H new ATOM 0 HD11 LEU A 37 100.077 -10.998 19.429 1.00 0.00 H new ATOM 0 HD12 LEU A 37 101.702 -10.355 19.764 1.00 0.00 H new ATOM 0 HD13 LEU A 37 101.027 -10.254 18.121 1.00 0.00 H new ATOM 0 HD21 LEU A 37 99.807 -13.065 18.062 1.00 0.00 H new ATOM 0 HD22 LEU A 37 100.753 -12.317 16.752 1.00 0.00 H new ATOM 0 HD23 LEU A 37 101.240 -13.897 17.411 1.00 0.00 H new ATOM 543 N GLY A 38 105.266 -12.949 16.015 1.00 0.00 N ATOM 544 CA GLY A 38 106.555 -12.713 15.371 1.00 0.00 C ATOM 545 C GLY A 38 106.892 -11.226 15.401 1.00 0.00 C ATOM 546 O GLY A 38 106.011 -10.395 15.210 1.00 0.00 O ATOM 0 H GLY A 38 104.468 -12.937 15.380 1.00 0.00 H new ATOM 0 HA2 GLY A 38 107.334 -13.281 15.880 1.00 0.00 H new ATOM 0 HA3 GLY A 38 106.525 -13.066 14.340 1.00 0.00 H new ATOM 550 N VAL A 39 108.157 -10.887 15.641 1.00 0.00 N ATOM 551 CA VAL A 39 108.542 -9.480 15.764 1.00 0.00 C ATOM 552 C VAL A 39 109.255 -9.024 14.496 1.00 0.00 C ATOM 553 O VAL A 39 110.214 -9.657 14.056 1.00 0.00 O ATOM 554 CB VAL A 39 109.466 -9.286 16.976 1.00 0.00 C ATOM 555 CG1 VAL A 39 109.783 -7.800 17.154 1.00 0.00 C ATOM 556 CG2 VAL A 39 108.775 -9.803 18.243 1.00 0.00 C ATOM 0 H VAL A 39 108.922 -11.553 15.753 1.00 0.00 H new ATOM 0 HA VAL A 39 107.642 -8.882 15.906 1.00 0.00 H new ATOM 0 HB VAL A 39 110.389 -9.841 16.808 1.00 0.00 H new ATOM 0 HG11 VAL A 39 110.439 -7.668 18.015 1.00 0.00 H new ATOM 0 HG12 VAL A 39 110.279 -7.424 16.259 1.00 0.00 H new ATOM 0 HG13 VAL A 39 108.857 -7.247 17.315 1.00 0.00 H new ATOM 0 HG21 VAL A 39 109.434 -9.663 19.100 1.00 0.00 H new ATOM 0 HG22 VAL A 39 107.849 -9.251 18.404 1.00 0.00 H new ATOM 0 HG23 VAL A 39 108.550 -10.863 18.128 1.00 0.00 H new ATOM 566 N ILE A 40 108.787 -7.923 13.908 1.00 0.00 N ATOM 567 CA ILE A 40 109.411 -7.386 12.700 1.00 0.00 C ATOM 568 C ILE A 40 109.831 -5.940 12.941 1.00 0.00 C ATOM 569 O ILE A 40 109.110 -5.178 13.581 1.00 0.00 O ATOM 570 CB ILE A 40 108.443 -7.477 11.511 1.00 0.00 C ATOM 571 CG1 ILE A 40 109.113 -6.933 10.241 1.00 0.00 C ATOM 572 CG2 ILE A 40 107.175 -6.670 11.799 1.00 0.00 C ATOM 573 CD1 ILE A 40 108.246 -7.253 9.022 1.00 0.00 C ATOM 0 H ILE A 40 107.985 -7.390 14.245 1.00 0.00 H new ATOM 0 HA ILE A 40 110.296 -7.976 12.462 1.00 0.00 H new ATOM 0 HB ILE A 40 108.178 -8.524 11.361 1.00 0.00 H new ATOM 0 HG12 ILE A 40 109.254 -5.856 10.326 1.00 0.00 H new ATOM 0 HG13 ILE A 40 110.102 -7.376 10.122 1.00 0.00 H new ATOM 0 HG21 ILE A 40 106.497 -6.742 10.949 1.00 0.00 H new ATOM 0 HG22 ILE A 40 106.685 -7.067 12.688 1.00 0.00 H new ATOM 0 HG23 ILE A 40 107.438 -5.625 11.965 1.00 0.00 H new ATOM 0 HD11 ILE A 40 108.725 -6.865 8.123 1.00 0.00 H new ATOM 0 HD12 ILE A 40 108.128 -8.333 8.933 1.00 0.00 H new ATOM 0 HD13 ILE A 40 107.267 -6.789 9.140 1.00 0.00 H new ATOM 585 N GLY A 41 111.017 -5.596 12.453 1.00 0.00 N ATOM 586 CA GLY A 41 111.496 -4.220 12.510 1.00 0.00 C ATOM 587 C GLY A 41 112.170 -3.860 11.193 1.00 0.00 C ATOM 588 O GLY A 41 112.884 -4.682 10.621 1.00 0.00 O ATOM 0 H GLY A 41 111.664 -6.250 12.014 1.00 0.00 H new ATOM 0 HA2 GLY A 41 110.664 -3.542 12.702 1.00 0.00 H new ATOM 0 HA3 GLY A 41 112.199 -4.103 13.334 1.00 0.00 H new ATOM 592 N SER A 42 111.941 -2.643 10.709 1.00 0.00 N ATOM 593 CA SER A 42 112.487 -2.237 9.415 1.00 0.00 C ATOM 594 C SER A 42 113.089 -0.840 9.479 1.00 0.00 C ATOM 595 O SER A 42 112.574 0.036 10.175 1.00 0.00 O ATOM 596 CB SER A 42 111.384 -2.258 8.356 1.00 0.00 C ATOM 597 OG SER A 42 110.533 -1.135 8.544 1.00 0.00 O ATOM 0 H SER A 42 111.389 -1.929 11.184 1.00 0.00 H new ATOM 0 HA SER A 42 113.275 -2.942 9.151 1.00 0.00 H new ATOM 0 HB2 SER A 42 111.821 -2.235 7.358 1.00 0.00 H new ATOM 0 HB3 SER A 42 110.809 -3.181 8.431 1.00 0.00 H new ATOM 0 HG SER A 42 109.619 -1.443 8.717 1.00 0.00 H new ATOM 603 N PHE A 43 114.166 -0.647 8.726 1.00 0.00 N ATOM 604 CA PHE A 43 114.816 0.656 8.624 1.00 0.00 C ATOM 605 C PHE A 43 114.901 1.058 7.155 1.00 0.00 C ATOM 606 O PHE A 43 115.351 0.269 6.327 1.00 0.00 O ATOM 607 CB PHE A 43 116.220 0.583 9.224 1.00 0.00 C ATOM 608 CG PHE A 43 116.945 1.906 9.237 1.00 0.00 C ATOM 609 CD1 PHE A 43 117.738 2.281 8.147 1.00 0.00 C ATOM 610 CD2 PHE A 43 116.830 2.758 10.343 1.00 0.00 C ATOM 611 CE1 PHE A 43 118.414 3.506 8.159 1.00 0.00 C ATOM 612 CE2 PHE A 43 117.506 3.985 10.358 1.00 0.00 C ATOM 613 CZ PHE A 43 118.298 4.357 9.266 1.00 0.00 C ATOM 0 H PHE A 43 114.610 -1.381 8.174 1.00 0.00 H new ATOM 0 HA PHE A 43 114.236 1.398 9.173 1.00 0.00 H new ATOM 0 HB2 PHE A 43 116.150 0.207 10.245 1.00 0.00 H new ATOM 0 HB3 PHE A 43 116.810 -0.139 8.659 1.00 0.00 H new ATOM 0 HD1 PHE A 43 117.828 1.624 7.295 1.00 0.00 H new ATOM 0 HD2 PHE A 43 116.219 2.469 11.185 1.00 0.00 H new ATOM 0 HE1 PHE A 43 119.024 3.795 7.316 1.00 0.00 H new ATOM 0 HE2 PHE A 43 117.416 4.642 11.210 1.00 0.00 H new ATOM 0 HZ PHE A 43 118.821 5.302 9.277 1.00 0.00 H new ATOM 623 N THR A 44 114.445 2.266 6.830 1.00 0.00 N ATOM 624 CA THR A 44 114.458 2.724 5.439 1.00 0.00 C ATOM 625 C THR A 44 115.089 4.106 5.329 1.00 0.00 C ATOM 626 O THR A 44 114.896 4.950 6.205 1.00 0.00 O ATOM 627 CB THR A 44 113.027 2.786 4.886 1.00 0.00 C ATOM 628 OG1 THR A 44 112.320 3.828 5.544 1.00 0.00 O ATOM 629 CG2 THR A 44 112.288 1.460 5.101 1.00 0.00 C ATOM 0 H THR A 44 114.067 2.938 7.498 1.00 0.00 H new ATOM 0 HA THR A 44 115.047 2.013 4.860 1.00 0.00 H new ATOM 0 HB THR A 44 113.080 2.977 3.814 1.00 0.00 H new ATOM 0 HG1 THR A 44 111.406 3.874 5.194 1.00 0.00 H new ATOM 0 HG21 THR A 44 111.278 1.537 4.698 1.00 0.00 H new ATOM 0 HG22 THR A 44 112.822 0.659 4.590 1.00 0.00 H new ATOM 0 HG23 THR A 44 112.238 1.240 6.167 1.00 0.00 H new ATOM 637 N TYR A 45 115.841 4.328 4.250 1.00 0.00 N ATOM 638 CA TYR A 45 116.382 5.653 3.952 1.00 0.00 C ATOM 639 C TYR A 45 116.014 6.055 2.528 1.00 0.00 C ATOM 640 O TYR A 45 116.101 5.234 1.615 1.00 0.00 O ATOM 641 CB TYR A 45 117.902 5.681 4.146 1.00 0.00 C ATOM 642 CG TYR A 45 118.679 4.873 3.136 1.00 0.00 C ATOM 643 CD1 TYR A 45 119.024 5.435 1.902 1.00 0.00 C ATOM 644 CD2 TYR A 45 119.073 3.563 3.443 1.00 0.00 C ATOM 645 CE1 TYR A 45 119.759 4.691 0.972 1.00 0.00 C ATOM 646 CE2 TYR A 45 119.808 2.819 2.514 1.00 0.00 C ATOM 647 CZ TYR A 45 120.150 3.382 1.279 1.00 0.00 C ATOM 648 OH TYR A 45 120.876 2.647 0.363 1.00 0.00 O ATOM 0 H TYR A 45 116.088 3.609 3.570 1.00 0.00 H new ATOM 0 HA TYR A 45 115.945 6.371 4.646 1.00 0.00 H new ATOM 0 HB2 TYR A 45 118.242 6.716 4.103 1.00 0.00 H new ATOM 0 HB3 TYR A 45 118.135 5.311 5.144 1.00 0.00 H new ATOM 0 HD1 TYR A 45 118.722 6.445 1.667 1.00 0.00 H new ATOM 0 HD2 TYR A 45 118.809 3.129 4.396 1.00 0.00 H new ATOM 0 HE1 TYR A 45 120.024 5.126 0.019 1.00 0.00 H new ATOM 0 HE2 TYR A 45 120.112 1.810 2.750 1.00 0.00 H new ATOM 0 HH TYR A 45 121.067 1.760 0.733 1.00 0.00 H new ATOM 658 N THR A 46 115.605 7.310 2.340 1.00 0.00 N ATOM 659 CA THR A 46 115.123 7.766 1.034 1.00 0.00 C ATOM 660 C THR A 46 116.089 8.765 0.408 1.00 0.00 C ATOM 661 O THR A 46 116.791 9.494 1.110 1.00 0.00 O ATOM 662 CB THR A 46 113.748 8.421 1.183 1.00 0.00 C ATOM 663 OG1 THR A 46 112.924 7.610 2.005 1.00 0.00 O ATOM 664 CG2 THR A 46 113.105 8.569 -0.197 1.00 0.00 C ATOM 0 H THR A 46 115.597 8.024 3.068 1.00 0.00 H new ATOM 0 HA THR A 46 115.050 6.895 0.382 1.00 0.00 H new ATOM 0 HB THR A 46 113.860 9.404 1.640 1.00 0.00 H new ATOM 0 HG1 THR A 46 112.612 8.133 2.773 1.00 0.00 H new ATOM 0 HG21 THR A 46 112.125 9.035 -0.094 1.00 0.00 H new ATOM 0 HG22 THR A 46 113.739 9.192 -0.829 1.00 0.00 H new ATOM 0 HG23 THR A 46 112.992 7.586 -0.653 1.00 0.00 H new ATOM 672 N GLU A 47 116.119 8.790 -0.922 1.00 0.00 N ATOM 673 CA GLU A 47 117.007 9.683 -1.655 1.00 0.00 C ATOM 674 C GLU A 47 116.226 10.441 -2.720 1.00 0.00 C ATOM 675 O GLU A 47 115.219 9.945 -3.234 1.00 0.00 O ATOM 676 CB GLU A 47 118.128 8.879 -2.315 1.00 0.00 C ATOM 677 CG GLU A 47 118.954 8.169 -1.236 1.00 0.00 C ATOM 678 CD GLU A 47 120.146 7.415 -1.837 1.00 0.00 C ATOM 679 OE1 GLU A 47 120.219 7.280 -3.049 1.00 0.00 O ATOM 680 OE2 GLU A 47 120.982 6.979 -1.062 1.00 0.00 O ATOM 0 H GLU A 47 115.536 8.199 -1.514 1.00 0.00 H new ATOM 0 HA GLU A 47 117.441 10.397 -0.955 1.00 0.00 H new ATOM 0 HB2 GLU A 47 117.707 8.148 -3.005 1.00 0.00 H new ATOM 0 HB3 GLU A 47 118.767 9.540 -2.901 1.00 0.00 H new ATOM 0 HG2 GLU A 47 119.314 8.901 -0.513 1.00 0.00 H new ATOM 0 HG3 GLU A 47 118.318 7.470 -0.692 1.00 0.00 H new ATOM 687 N LYS A 48 116.702 11.640 -3.044 1.00 0.00 N ATOM 688 CA LYS A 48 116.063 12.476 -4.053 1.00 0.00 C ATOM 689 C LYS A 48 116.918 12.521 -5.315 1.00 0.00 C ATOM 690 O LYS A 48 118.146 12.469 -5.242 1.00 0.00 O ATOM 691 CB LYS A 48 115.888 13.905 -3.524 1.00 0.00 C ATOM 692 CG LYS A 48 115.116 13.897 -2.204 1.00 0.00 C ATOM 693 CD LYS A 48 113.699 13.366 -2.435 1.00 0.00 C ATOM 694 CE LYS A 48 112.882 13.528 -1.151 1.00 0.00 C ATOM 695 NZ LYS A 48 112.852 14.964 -0.757 1.00 0.00 N ATOM 0 H LYS A 48 117.532 12.055 -2.620 1.00 0.00 H new ATOM 0 HA LYS A 48 115.087 12.048 -4.284 1.00 0.00 H new ATOM 0 HB2 LYS A 48 116.864 14.367 -3.378 1.00 0.00 H new ATOM 0 HB3 LYS A 48 115.356 14.509 -4.259 1.00 0.00 H new ATOM 0 HG2 LYS A 48 115.633 13.274 -1.474 1.00 0.00 H new ATOM 0 HG3 LYS A 48 115.074 14.905 -1.791 1.00 0.00 H new ATOM 0 HD2 LYS A 48 113.224 13.908 -3.253 1.00 0.00 H new ATOM 0 HD3 LYS A 48 113.735 12.316 -2.727 1.00 0.00 H new ATOM 0 HE2 LYS A 48 111.867 13.161 -1.305 1.00 0.00 H new ATOM 0 HE3 LYS A 48 113.319 12.930 -0.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 112.005 15.149 -0.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 113.702 15.190 -0.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 112.828 15.558 -1.611 1.00 0.00 H new ATOM 709 N SER A 49 116.267 12.619 -6.471 1.00 0.00 N ATOM 710 CA SER A 49 116.986 12.742 -7.739 1.00 0.00 C ATOM 711 C SER A 49 116.547 14.005 -8.472 1.00 0.00 C ATOM 712 O SER A 49 115.360 14.332 -8.508 1.00 0.00 O ATOM 713 CB SER A 49 116.710 11.520 -8.616 1.00 0.00 C ATOM 714 OG SER A 49 115.332 11.495 -8.962 1.00 0.00 O ATOM 0 H SER A 49 115.251 12.616 -6.558 1.00 0.00 H new ATOM 0 HA SER A 49 118.054 12.803 -7.530 1.00 0.00 H new ATOM 0 HB2 SER A 49 117.323 11.558 -9.517 1.00 0.00 H new ATOM 0 HB3 SER A 49 116.980 10.608 -8.085 1.00 0.00 H new ATOM 0 HG SER A 49 114.792 11.400 -8.149 1.00 0.00 H new ATOM 720 N ARG A 50 117.510 14.712 -9.055 1.00 0.00 N ATOM 721 CA ARG A 50 117.205 15.931 -9.793 1.00 0.00 C ATOM 722 C ARG A 50 118.225 16.155 -10.905 1.00 0.00 C ATOM 723 O ARG A 50 119.377 15.736 -10.799 1.00 0.00 O ATOM 724 CB ARG A 50 117.208 17.130 -8.842 1.00 0.00 C ATOM 725 CG ARG A 50 116.713 18.375 -9.582 1.00 0.00 C ATOM 726 CD ARG A 50 116.619 19.547 -8.606 1.00 0.00 C ATOM 727 NE ARG A 50 117.959 19.973 -8.190 1.00 0.00 N ATOM 728 CZ ARG A 50 118.185 20.821 -7.176 1.00 0.00 C ATOM 729 NH1 ARG A 50 117.212 21.336 -6.464 1.00 0.00 N ATOM 730 NH2 ARG A 50 119.416 21.143 -6.888 1.00 0.00 N ATOM 0 H ARG A 50 118.499 14.464 -9.031 1.00 0.00 H new ATOM 0 HA ARG A 50 116.217 15.826 -10.241 1.00 0.00 H new ATOM 0 HB2 ARG A 50 116.568 16.927 -7.983 1.00 0.00 H new ATOM 0 HB3 ARG A 50 118.214 17.299 -8.457 1.00 0.00 H new ATOM 0 HG2 ARG A 50 117.394 18.621 -10.397 1.00 0.00 H new ATOM 0 HG3 ARG A 50 115.738 18.181 -10.029 1.00 0.00 H new ATOM 0 HD2 ARG A 50 116.095 20.379 -9.076 1.00 0.00 H new ATOM 0 HD3 ARG A 50 116.035 19.256 -7.733 1.00 0.00 H new ATOM 0 HE ARG A 50 118.762 19.605 -8.699 1.00 0.00 H new ATOM 0 HH11 ARG A 50 116.243 21.095 -6.674 1.00 0.00 H new ATOM 0 HH12 ARG A 50 117.424 21.978 -5.700 1.00 0.00 H new ATOM 0 HH21 ARG A 50 120.186 20.751 -7.430 1.00 0.00 H new ATOM 0 HH22 ARG A 50 119.609 21.786 -6.120 1.00 0.00 H new ATOM 744 N THR A 51 117.792 16.817 -11.974 1.00 0.00 N ATOM 745 CA THR A 51 118.687 17.127 -13.083 1.00 0.00 C ATOM 746 C THR A 51 119.613 18.276 -12.702 1.00 0.00 C ATOM 747 O THR A 51 119.390 18.955 -11.700 1.00 0.00 O ATOM 748 CB THR A 51 117.880 17.509 -14.327 1.00 0.00 C ATOM 749 OG1 THR A 51 117.149 18.699 -14.067 1.00 0.00 O ATOM 750 CG2 THR A 51 116.914 16.380 -14.688 1.00 0.00 C ATOM 0 H THR A 51 116.834 17.147 -12.095 1.00 0.00 H new ATOM 0 HA THR A 51 119.284 16.242 -13.305 1.00 0.00 H new ATOM 0 HB THR A 51 118.561 17.674 -15.162 1.00 0.00 H new ATOM 0 HG1 THR A 51 116.633 18.946 -14.863 1.00 0.00 H new ATOM 0 HG21 THR A 51 116.343 16.659 -15.574 1.00 0.00 H new ATOM 0 HG22 THR A 51 117.478 15.470 -14.891 1.00 0.00 H new ATOM 0 HG23 THR A 51 116.231 16.206 -13.857 1.00 0.00 H new ATOM 758 N ALA A 52 120.653 18.491 -13.503 1.00 0.00 N ATOM 759 CA ALA A 52 121.617 19.547 -13.211 1.00 0.00 C ATOM 760 C ALA A 52 120.917 20.901 -13.132 1.00 0.00 C ATOM 761 O ALA A 52 120.093 21.236 -13.981 1.00 0.00 O ATOM 762 CB ALA A 52 122.692 19.590 -14.300 1.00 0.00 C ATOM 0 H ALA A 52 120.848 17.956 -14.349 1.00 0.00 H new ATOM 0 HA ALA A 52 122.083 19.333 -12.249 1.00 0.00 H new ATOM 0 HB1 ALA A 52 123.407 20.381 -14.074 1.00 0.00 H new ATOM 0 HB2 ALA A 52 123.210 18.632 -14.338 1.00 0.00 H new ATOM 0 HB3 ALA A 52 122.225 19.788 -15.265 1.00 0.00 H new ATOM 768 N SER A 53 121.251 21.673 -12.103 1.00 0.00 N ATOM 769 CA SER A 53 120.625 22.972 -11.900 1.00 0.00 C ATOM 770 C SER A 53 121.510 23.871 -11.043 1.00 0.00 C ATOM 771 O SER A 53 122.518 23.427 -10.496 1.00 0.00 O ATOM 772 CB SER A 53 119.266 22.799 -11.222 1.00 0.00 C ATOM 773 OG SER A 53 118.610 24.058 -11.159 1.00 0.00 O ATOM 0 H SER A 53 121.948 21.423 -11.401 1.00 0.00 H new ATOM 0 HA SER A 53 120.489 23.440 -12.875 1.00 0.00 H new ATOM 0 HB2 SER A 53 118.657 22.086 -11.778 1.00 0.00 H new ATOM 0 HB3 SER A 53 119.396 22.393 -10.219 1.00 0.00 H new ATOM 0 HG SER A 53 117.737 23.951 -10.726 1.00 0.00 H new ATOM 779 N SER A 54 121.124 25.138 -10.935 1.00 0.00 N ATOM 780 CA SER A 54 121.869 26.093 -10.116 1.00 0.00 C ATOM 781 C SER A 54 121.940 25.662 -8.647 1.00 0.00 C ATOM 782 O SER A 54 122.863 26.051 -7.931 1.00 0.00 O ATOM 783 CB SER A 54 121.214 27.470 -10.208 1.00 0.00 C ATOM 784 OG SER A 54 119.941 27.425 -9.575 1.00 0.00 O ATOM 0 H SER A 54 120.305 25.528 -11.401 1.00 0.00 H new ATOM 0 HA SER A 54 122.888 26.131 -10.502 1.00 0.00 H new ATOM 0 HB2 SER A 54 121.845 28.219 -9.730 1.00 0.00 H new ATOM 0 HB3 SER A 54 121.104 27.765 -11.252 1.00 0.00 H new ATOM 0 HG SER A 54 119.517 28.307 -9.630 1.00 0.00 H new ATOM 790 N GLY A 55 120.973 24.865 -8.194 1.00 0.00 N ATOM 791 CA GLY A 55 120.937 24.434 -6.796 1.00 0.00 C ATOM 792 C GLY A 55 122.043 23.430 -6.440 1.00 0.00 C ATOM 793 O GLY A 55 122.211 23.102 -5.265 1.00 0.00 O ATOM 0 H GLY A 55 120.210 24.507 -8.768 1.00 0.00 H new ATOM 0 HA2 GLY A 55 121.028 25.308 -6.151 1.00 0.00 H new ATOM 0 HA3 GLY A 55 119.967 23.984 -6.587 1.00 0.00 H new ATOM 797 N ASP A 56 122.785 22.937 -7.431 1.00 0.00 N ATOM 798 CA ASP A 56 123.880 22.009 -7.167 1.00 0.00 C ATOM 799 C ASP A 56 123.361 20.750 -6.466 1.00 0.00 C ATOM 800 O ASP A 56 123.858 20.356 -5.410 1.00 0.00 O ATOM 801 CB ASP A 56 124.952 22.701 -6.319 1.00 0.00 C ATOM 802 CG ASP A 56 125.540 23.892 -7.071 1.00 0.00 C ATOM 803 OD1 ASP A 56 125.600 23.837 -8.288 1.00 0.00 O ATOM 804 OD2 ASP A 56 125.921 24.849 -6.415 1.00 0.00 O ATOM 0 H ASP A 56 122.648 23.163 -8.416 1.00 0.00 H new ATOM 0 HA ASP A 56 124.325 21.706 -8.115 1.00 0.00 H new ATOM 0 HB2 ASP A 56 124.519 23.036 -5.377 1.00 0.00 H new ATOM 0 HB3 ASP A 56 125.743 21.992 -6.072 1.00 0.00 H new ATOM 809 N TYR A 57 122.344 20.135 -7.069 1.00 0.00 N ATOM 810 CA TYR A 57 121.745 18.916 -6.532 1.00 0.00 C ATOM 811 C TYR A 57 121.096 19.172 -5.176 1.00 0.00 C ATOM 812 O TYR A 57 121.636 19.897 -4.339 1.00 0.00 O ATOM 813 CB TYR A 57 122.797 17.809 -6.404 1.00 0.00 C ATOM 814 CG TYR A 57 122.215 16.468 -6.019 1.00 0.00 C ATOM 815 CD1 TYR A 57 121.707 15.616 -7.007 1.00 0.00 C ATOM 816 CD2 TYR A 57 122.189 16.078 -4.675 1.00 0.00 C ATOM 817 CE1 TYR A 57 121.169 14.374 -6.650 1.00 0.00 C ATOM 818 CE2 TYR A 57 121.651 14.834 -4.318 1.00 0.00 C ATOM 819 CZ TYR A 57 121.143 13.982 -5.305 1.00 0.00 C ATOM 820 OH TYR A 57 120.614 12.757 -4.954 1.00 0.00 O ATOM 0 H TYR A 57 121.917 20.464 -7.935 1.00 0.00 H new ATOM 0 HA TYR A 57 120.972 18.593 -7.229 1.00 0.00 H new ATOM 0 HB2 TYR A 57 123.325 17.709 -7.352 1.00 0.00 H new ATOM 0 HB3 TYR A 57 123.535 18.104 -5.658 1.00 0.00 H new ATOM 0 HD1 TYR A 57 121.730 15.917 -8.044 1.00 0.00 H new ATOM 0 HD2 TYR A 57 122.583 16.735 -3.914 1.00 0.00 H new ATOM 0 HE1 TYR A 57 120.774 13.718 -7.411 1.00 0.00 H new ATOM 0 HE2 TYR A 57 121.629 14.533 -3.281 1.00 0.00 H new ATOM 0 HH TYR A 57 119.643 12.839 -4.846 1.00 0.00 H new ATOM 830 N ASN A 58 119.928 18.574 -4.969 1.00 0.00 N ATOM 831 CA ASN A 58 119.198 18.750 -3.719 1.00 0.00 C ATOM 832 C ASN A 58 119.508 17.609 -2.754 1.00 0.00 C ATOM 833 O ASN A 58 119.215 16.448 -3.041 1.00 0.00 O ATOM 834 CB ASN A 58 117.695 18.793 -4.000 1.00 0.00 C ATOM 835 CG ASN A 58 116.928 19.073 -2.712 1.00 0.00 C ATOM 836 OD1 ASN A 58 116.913 20.281 -2.222 1.00 0.00 O flip ATOM 837 ND2 ASN A 58 116.326 18.166 -2.139 1.00 0.00 N flip ATOM 0 H ASN A 58 119.468 17.966 -5.647 1.00 0.00 H new ATOM 0 HA ASN A 58 119.510 19.689 -3.262 1.00 0.00 H new ATOM 0 HB2 ASN A 58 117.477 19.566 -4.737 1.00 0.00 H new ATOM 0 HB3 ASN A 58 117.370 17.844 -4.427 1.00 0.00 H new ATOM 0 HD21 ASN A 58 116.339 17.222 -2.525 1.00 0.00 H new ATOM 0 HD22 ASN A 58 115.813 18.358 -1.278 1.00 0.00 H new ATOM 844 N LYS A 59 120.098 17.946 -1.611 1.00 0.00 N ATOM 845 CA LYS A 59 120.470 16.934 -0.627 1.00 0.00 C ATOM 846 C LYS A 59 119.476 16.899 0.530 1.00 0.00 C ATOM 847 O LYS A 59 119.419 17.822 1.343 1.00 0.00 O ATOM 848 CB LYS A 59 121.869 17.229 -0.084 1.00 0.00 C ATOM 849 CG LYS A 59 122.893 17.112 -1.214 1.00 0.00 C ATOM 850 CD LYS A 59 124.302 17.303 -0.647 1.00 0.00 C ATOM 851 CE LYS A 59 125.320 17.306 -1.790 1.00 0.00 C ATOM 852 NZ LYS A 59 125.684 15.903 -2.134 1.00 0.00 N ATOM 0 H LYS A 59 120.327 18.903 -1.344 1.00 0.00 H new ATOM 0 HA LYS A 59 120.461 15.963 -1.121 1.00 0.00 H new ATOM 0 HB2 LYS A 59 121.900 18.230 0.346 1.00 0.00 H new ATOM 0 HB3 LYS A 59 122.114 16.531 0.716 1.00 0.00 H new ATOM 0 HG2 LYS A 59 122.811 16.137 -1.694 1.00 0.00 H new ATOM 0 HG3 LYS A 59 122.693 17.861 -1.980 1.00 0.00 H new ATOM 0 HD2 LYS A 59 124.358 18.241 -0.094 1.00 0.00 H new ATOM 0 HD3 LYS A 59 124.533 16.504 0.057 1.00 0.00 H new ATOM 0 HE2 LYS A 59 124.902 17.809 -2.662 1.00 0.00 H new ATOM 0 HE3 LYS A 59 126.210 17.863 -1.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 126.376 15.904 -2.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 126.099 15.438 -1.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 124.832 15.386 -2.430 1.00 0.00 H new ATOM 866 N ASN A 60 118.697 15.824 0.597 1.00 0.00 N ATOM 867 CA ASN A 60 117.771 15.616 1.703 1.00 0.00 C ATOM 868 C ASN A 60 117.888 14.183 2.210 1.00 0.00 C ATOM 869 O ASN A 60 118.207 13.275 1.443 1.00 0.00 O ATOM 870 CB ASN A 60 116.333 15.883 1.249 1.00 0.00 C ATOM 871 CG ASN A 60 116.141 17.359 0.905 1.00 0.00 C ATOM 872 OD1 ASN A 60 115.122 17.718 0.176 1.00 0.00 O flip ATOM 873 ND2 ASN A 60 116.935 18.208 1.316 1.00 0.00 N flip ATOM 0 H ASN A 60 118.689 15.083 -0.103 1.00 0.00 H new ATOM 0 HA ASN A 60 118.023 16.308 2.506 1.00 0.00 H new ATOM 0 HB2 ASN A 60 116.101 15.269 0.379 1.00 0.00 H new ATOM 0 HB3 ASN A 60 115.638 15.595 2.038 1.00 0.00 H new ATOM 0 HD21 ASN A 60 117.732 17.927 1.887 1.00 0.00 H new ATOM 0 HD22 ASN A 60 116.794 19.192 1.086 1.00 0.00 H new ATOM 880 N GLN A 61 117.627 13.975 3.500 1.00 0.00 N ATOM 881 CA GLN A 61 117.719 12.638 4.085 1.00 0.00 C ATOM 882 C GLN A 61 116.421 12.270 4.794 1.00 0.00 C ATOM 883 O GLN A 61 115.787 13.120 5.416 1.00 0.00 O ATOM 884 CB GLN A 61 118.913 12.578 5.050 1.00 0.00 C ATOM 885 CG GLN A 61 118.691 13.505 6.249 1.00 0.00 C ATOM 886 CD GLN A 61 119.989 13.658 7.036 1.00 0.00 C ATOM 887 OE1 GLN A 61 121.059 13.797 6.445 1.00 0.00 O ATOM 888 NE2 GLN A 61 119.958 13.633 8.340 1.00 0.00 N ATOM 0 H GLN A 61 117.353 14.708 4.155 1.00 0.00 H new ATOM 0 HA GLN A 61 117.877 11.910 3.289 1.00 0.00 H new ATOM 0 HB2 GLN A 61 119.054 11.555 5.397 1.00 0.00 H new ATOM 0 HB3 GLN A 61 119.825 12.866 4.526 1.00 0.00 H new ATOM 0 HG2 GLN A 61 118.346 14.481 5.906 1.00 0.00 H new ATOM 0 HG3 GLN A 61 117.911 13.100 6.893 1.00 0.00 H new ATOM 0 HE21 GLN A 61 119.069 13.518 8.827 1.00 0.00 H new ATOM 0 HE22 GLN A 61 120.823 13.729 8.873 1.00 0.00 H new ATOM 897 N TYR A 62 116.035 11.003 4.697 1.00 0.00 N ATOM 898 CA TYR A 62 114.811 10.528 5.334 1.00 0.00 C ATOM 899 C TYR A 62 115.103 9.272 6.145 1.00 0.00 C ATOM 900 O TYR A 62 115.855 8.404 5.704 1.00 0.00 O ATOM 901 CB TYR A 62 113.769 10.210 4.260 1.00 0.00 C ATOM 902 CG TYR A 62 112.391 9.925 4.807 1.00 0.00 C ATOM 903 CD1 TYR A 62 111.512 10.983 5.070 1.00 0.00 C ATOM 904 CD2 TYR A 62 111.985 8.605 5.035 1.00 0.00 C ATOM 905 CE1 TYR A 62 110.228 10.721 5.563 1.00 0.00 C ATOM 906 CE2 TYR A 62 110.703 8.342 5.533 1.00 0.00 C ATOM 907 CZ TYR A 62 109.824 9.399 5.795 1.00 0.00 C ATOM 908 OH TYR A 62 108.558 9.141 6.277 1.00 0.00 O ATOM 0 H TYR A 62 116.550 10.287 4.185 1.00 0.00 H new ATOM 0 HA TYR A 62 114.428 11.303 5.998 1.00 0.00 H new ATOM 0 HB2 TYR A 62 113.707 11.050 3.568 1.00 0.00 H new ATOM 0 HB3 TYR A 62 114.106 9.347 3.685 1.00 0.00 H new ATOM 0 HD1 TYR A 62 111.825 12.001 4.892 1.00 0.00 H new ATOM 0 HD2 TYR A 62 112.661 7.789 4.827 1.00 0.00 H new ATOM 0 HE1 TYR A 62 109.549 11.537 5.764 1.00 0.00 H new ATOM 0 HE2 TYR A 62 110.393 7.324 5.715 1.00 0.00 H new ATOM 0 HH TYR A 62 108.438 8.174 6.381 1.00 0.00 H new ATOM 918 N TYR A 63 114.527 9.185 7.338 1.00 0.00 N ATOM 919 CA TYR A 63 114.716 8.010 8.183 1.00 0.00 C ATOM 920 C TYR A 63 113.366 7.506 8.669 1.00 0.00 C ATOM 921 O TYR A 63 112.566 8.282 9.187 1.00 0.00 O ATOM 922 CB TYR A 63 115.593 8.369 9.385 1.00 0.00 C ATOM 923 CG TYR A 63 116.946 8.916 9.000 1.00 0.00 C ATOM 924 CD1 TYR A 63 118.029 8.048 8.823 1.00 0.00 C ATOM 925 CD2 TYR A 63 117.118 10.294 8.818 1.00 0.00 C ATOM 926 CE1 TYR A 63 119.285 8.556 8.467 1.00 0.00 C ATOM 927 CE2 TYR A 63 118.372 10.802 8.463 1.00 0.00 C ATOM 928 CZ TYR A 63 119.456 9.933 8.287 1.00 0.00 C ATOM 929 OH TYR A 63 120.693 10.435 7.936 1.00 0.00 O ATOM 0 H TYR A 63 113.930 9.907 7.741 1.00 0.00 H new ATOM 0 HA TYR A 63 115.206 7.228 7.603 1.00 0.00 H new ATOM 0 HB2 TYR A 63 115.073 9.106 9.997 1.00 0.00 H new ATOM 0 HB3 TYR A 63 115.731 7.481 10.002 1.00 0.00 H new ATOM 0 HD1 TYR A 63 117.896 6.985 8.961 1.00 0.00 H new ATOM 0 HD2 TYR A 63 116.282 10.965 8.952 1.00 0.00 H new ATOM 0 HE1 TYR A 63 120.121 7.885 8.332 1.00 0.00 H new ATOM 0 HE2 TYR A 63 118.504 11.865 8.325 1.00 0.00 H new ATOM 0 HH TYR A 63 121.179 9.767 7.408 1.00 0.00 H new ATOM 939 N GLY A 64 113.105 6.217 8.478 1.00 0.00 N ATOM 940 CA GLY A 64 111.857 5.623 8.945 1.00 0.00 C ATOM 941 C GLY A 64 112.128 4.337 9.711 1.00 0.00 C ATOM 942 O GLY A 64 112.834 3.457 9.219 1.00 0.00 O ATOM 0 H GLY A 64 113.735 5.568 8.007 1.00 0.00 H new ATOM 0 HA2 GLY A 64 111.329 6.330 9.586 1.00 0.00 H new ATOM 0 HA3 GLY A 64 111.206 5.416 8.095 1.00 0.00 H new ATOM 946 N ILE A 65 111.576 4.241 10.918 1.00 0.00 N ATOM 947 CA ILE A 65 111.726 3.037 11.731 1.00 0.00 C ATOM 948 C ILE A 65 110.346 2.511 12.121 1.00 0.00 C ATOM 949 O ILE A 65 109.546 3.240 12.704 1.00 0.00 O ATOM 950 CB ILE A 65 112.559 3.356 12.979 1.00 0.00 C ATOM 951 CG1 ILE A 65 112.748 2.090 13.821 1.00 0.00 C ATOM 952 CG2 ILE A 65 111.858 4.427 13.820 1.00 0.00 C ATOM 953 CD1 ILE A 65 113.639 1.101 13.065 1.00 0.00 C ATOM 0 H ILE A 65 111.023 4.979 11.353 1.00 0.00 H new ATOM 0 HA ILE A 65 112.244 2.268 11.158 1.00 0.00 H new ATOM 0 HB ILE A 65 113.533 3.728 12.662 1.00 0.00 H new ATOM 0 HG12 ILE A 65 113.200 2.343 14.780 1.00 0.00 H new ATOM 0 HG13 ILE A 65 111.781 1.635 14.034 1.00 0.00 H new ATOM 0 HG21 ILE A 65 112.458 4.646 14.703 1.00 0.00 H new ATOM 0 HG22 ILE A 65 111.739 5.334 13.228 1.00 0.00 H new ATOM 0 HG23 ILE A 65 110.878 4.064 14.128 1.00 0.00 H new ATOM 0 HD11 ILE A 65 113.773 0.201 13.664 1.00 0.00 H new ATOM 0 HD12 ILE A 65 113.169 0.839 12.117 1.00 0.00 H new ATOM 0 HD13 ILE A 65 114.610 1.558 12.875 1.00 0.00 H new ATOM 965 N THR A 66 110.065 1.260 11.763 1.00 0.00 N ATOM 966 CA THR A 66 108.773 0.648 12.076 1.00 0.00 C ATOM 967 C THR A 66 108.960 -0.635 12.878 1.00 0.00 C ATOM 968 O THR A 66 109.994 -1.297 12.771 1.00 0.00 O ATOM 969 CB THR A 66 108.004 0.319 10.789 1.00 0.00 C ATOM 970 OG1 THR A 66 108.649 -0.754 10.123 1.00 0.00 O ATOM 971 CG2 THR A 66 107.928 1.528 9.843 1.00 0.00 C ATOM 0 H THR A 66 110.710 0.652 11.259 1.00 0.00 H new ATOM 0 HA THR A 66 108.205 1.366 12.668 1.00 0.00 H new ATOM 0 HB THR A 66 106.986 0.045 11.066 1.00 0.00 H new ATOM 0 HG1 THR A 66 109.606 -0.560 10.040 1.00 0.00 H new ATOM 0 HG21 THR A 66 107.376 1.253 8.944 1.00 0.00 H new ATOM 0 HG22 THR A 66 107.418 2.351 10.344 1.00 0.00 H new ATOM 0 HG23 THR A 66 108.936 1.839 9.568 1.00 0.00 H new ATOM 979 N ALA A 67 107.935 -0.994 13.644 1.00 0.00 N ATOM 980 CA ALA A 67 107.923 -2.255 14.376 1.00 0.00 C ATOM 981 C ALA A 67 106.492 -2.777 14.419 1.00 0.00 C ATOM 982 O ALA A 67 105.557 -1.975 14.418 1.00 0.00 O ATOM 983 CB ALA A 67 108.445 -2.050 15.800 1.00 0.00 C ATOM 0 H ALA A 67 107.098 -0.426 13.774 1.00 0.00 H new ATOM 0 HA ALA A 67 108.570 -2.975 13.875 1.00 0.00 H new ATOM 0 HB1 ALA A 67 108.430 -3.000 16.333 1.00 0.00 H new ATOM 0 HB2 ALA A 67 109.466 -1.671 15.762 1.00 0.00 H new ATOM 0 HB3 ALA A 67 107.811 -1.332 16.320 1.00 0.00 H new ATOM 989 N GLY A 68 106.312 -4.101 14.415 1.00 0.00 N ATOM 990 CA GLY A 68 104.958 -4.647 14.374 1.00 0.00 C ATOM 991 C GLY A 68 104.896 -6.147 14.665 1.00 0.00 C ATOM 992 O GLY A 68 105.932 -6.803 14.771 1.00 0.00 O ATOM 0 H GLY A 68 107.061 -4.793 14.439 1.00 0.00 H new ATOM 0 HA2 GLY A 68 104.340 -4.118 15.099 1.00 0.00 H new ATOM 0 HA3 GLY A 68 104.528 -4.458 13.390 1.00 0.00 H new ATOM 996 N PRO A 69 103.707 -6.698 14.827 1.00 0.00 N ATOM 997 CA PRO A 69 103.525 -8.160 15.014 1.00 0.00 C ATOM 998 C PRO A 69 103.162 -8.884 13.715 1.00 0.00 C ATOM 999 O PRO A 69 102.299 -8.434 12.953 1.00 0.00 O ATOM 1000 CB PRO A 69 102.374 -8.228 16.015 1.00 0.00 C ATOM 1001 CG PRO A 69 101.554 -6.999 15.778 1.00 0.00 C ATOM 1002 CD PRO A 69 102.392 -6.037 14.926 1.00 0.00 C ATOM 0 HA PRO A 69 104.438 -8.651 15.349 1.00 0.00 H new ATOM 0 HB2 PRO A 69 101.779 -9.129 15.866 1.00 0.00 H new ATOM 0 HB3 PRO A 69 102.747 -8.258 17.039 1.00 0.00 H new ATOM 0 HG2 PRO A 69 100.625 -7.252 15.267 1.00 0.00 H new ATOM 0 HG3 PRO A 69 101.281 -6.533 16.725 1.00 0.00 H new ATOM 0 HD2 PRO A 69 101.947 -5.885 13.943 1.00 0.00 H new ATOM 0 HD3 PRO A 69 102.473 -5.056 15.395 1.00 0.00 H new ATOM 1010 N ALA A 70 103.927 -9.930 13.419 1.00 0.00 N ATOM 1011 CA ALA A 70 103.605 -10.870 12.353 1.00 0.00 C ATOM 1012 C ALA A 70 102.569 -11.886 12.826 1.00 0.00 C ATOM 1013 O ALA A 70 102.683 -12.406 13.937 1.00 0.00 O ATOM 1014 CB ALA A 70 104.870 -11.612 11.919 1.00 0.00 C ATOM 0 H ALA A 70 104.791 -10.150 13.914 1.00 0.00 H new ATOM 0 HA ALA A 70 103.196 -10.309 11.513 1.00 0.00 H new ATOM 0 HB1 ALA A 70 104.625 -12.314 11.122 1.00 0.00 H new ATOM 0 HB2 ALA A 70 105.607 -10.895 11.557 1.00 0.00 H new ATOM 0 HB3 ALA A 70 105.282 -12.157 12.768 1.00 0.00 H new ATOM 1020 N TYR A 71 101.599 -12.204 11.969 1.00 0.00 N ATOM 1021 CA TYR A 71 100.637 -13.262 12.259 1.00 0.00 C ATOM 1022 C TYR A 71 100.797 -14.370 11.224 1.00 0.00 C ATOM 1023 O TYR A 71 100.758 -14.103 10.022 1.00 0.00 O ATOM 1024 CB TYR A 71 99.213 -12.709 12.208 1.00 0.00 C ATOM 1025 CG TYR A 71 98.161 -13.719 12.601 1.00 0.00 C ATOM 1026 CD1 TYR A 71 97.771 -13.838 13.940 1.00 0.00 C ATOM 1027 CD2 TYR A 71 97.578 -14.537 11.627 1.00 0.00 C ATOM 1028 CE1 TYR A 71 96.797 -14.776 14.305 1.00 0.00 C ATOM 1029 CE2 TYR A 71 96.604 -15.476 11.993 1.00 0.00 C ATOM 1030 CZ TYR A 71 96.213 -15.594 13.332 1.00 0.00 C ATOM 1031 OH TYR A 71 95.254 -16.517 13.691 1.00 0.00 O ATOM 0 H TYR A 71 101.460 -11.743 11.070 1.00 0.00 H new ATOM 0 HA TYR A 71 100.821 -13.657 13.258 1.00 0.00 H new ATOM 0 HB2 TYR A 71 99.143 -11.846 12.870 1.00 0.00 H new ATOM 0 HB3 TYR A 71 99.005 -12.354 11.199 1.00 0.00 H new ATOM 0 HD1 TYR A 71 98.221 -13.207 14.692 1.00 0.00 H new ATOM 0 HD2 TYR A 71 97.878 -14.445 10.594 1.00 0.00 H new ATOM 0 HE1 TYR A 71 96.497 -14.868 15.338 1.00 0.00 H new ATOM 0 HE2 TYR A 71 96.155 -16.109 11.242 1.00 0.00 H new ATOM 0 HH TYR A 71 94.952 -17.002 12.895 1.00 0.00 H new ATOM 1041 N ARG A 72 100.951 -15.606 11.689 1.00 0.00 N ATOM 1042 CA ARG A 72 101.314 -16.701 10.796 1.00 0.00 C ATOM 1043 C ARG A 72 100.089 -17.478 10.323 1.00 0.00 C ATOM 1044 O ARG A 72 99.454 -18.202 11.091 1.00 0.00 O ATOM 1045 CB ARG A 72 102.282 -17.652 11.506 1.00 0.00 C ATOM 1046 CG ARG A 72 102.791 -18.706 10.521 1.00 0.00 C ATOM 1047 CD ARG A 72 103.670 -19.718 11.257 1.00 0.00 C ATOM 1048 NE ARG A 72 104.839 -19.050 11.837 1.00 0.00 N ATOM 1049 CZ ARG A 72 105.981 -19.686 12.138 1.00 0.00 C ATOM 1050 NH1 ARG A 72 106.136 -20.975 11.945 1.00 0.00 N ATOM 1051 NH2 ARG A 72 106.971 -19.000 12.640 1.00 0.00 N ATOM 0 H ARG A 72 100.832 -15.873 12.666 1.00 0.00 H new ATOM 0 HA ARG A 72 101.794 -16.266 9.919 1.00 0.00 H new ATOM 0 HB2 ARG A 72 103.121 -17.091 11.918 1.00 0.00 H new ATOM 0 HB3 ARG A 72 101.781 -18.136 12.344 1.00 0.00 H new ATOM 0 HG2 ARG A 72 101.949 -19.215 10.051 1.00 0.00 H new ATOM 0 HG3 ARG A 72 103.360 -18.228 9.724 1.00 0.00 H new ATOM 0 HD2 ARG A 72 103.094 -20.206 12.043 1.00 0.00 H new ATOM 0 HD3 ARG A 72 103.993 -20.498 10.568 1.00 0.00 H new ATOM 0 HE ARG A 72 104.781 -18.048 12.021 1.00 0.00 H new ATOM 0 HH11 ARG A 72 105.373 -21.527 11.554 1.00 0.00 H new ATOM 0 HH12 ARG A 72 107.019 -21.424 12.186 1.00 0.00 H new ATOM 0 HH21 ARG A 72 106.869 -17.997 12.797 1.00 0.00 H new ATOM 0 HH22 ARG A 72 107.847 -19.466 12.875 1.00 0.00 H new ATOM 1065 N ILE A 73 99.777 -17.311 9.044 1.00 0.00 N ATOM 1066 CA ILE A 73 98.753 -18.111 8.381 1.00 0.00 C ATOM 1067 C ILE A 73 99.426 -19.272 7.651 1.00 0.00 C ATOM 1068 O ILE A 73 100.397 -19.068 6.923 1.00 0.00 O ATOM 1069 CB ILE A 73 97.953 -17.244 7.404 1.00 0.00 C ATOM 1070 CG1 ILE A 73 97.308 -16.085 8.174 1.00 0.00 C ATOM 1071 CG2 ILE A 73 96.853 -18.084 6.746 1.00 0.00 C ATOM 1072 CD1 ILE A 73 96.706 -15.061 7.203 1.00 0.00 C ATOM 0 H ILE A 73 100.223 -16.621 8.439 1.00 0.00 H new ATOM 0 HA ILE A 73 98.058 -18.508 9.121 1.00 0.00 H new ATOM 0 HB ILE A 73 98.620 -16.856 6.634 1.00 0.00 H new ATOM 0 HG12 ILE A 73 96.531 -16.468 8.835 1.00 0.00 H new ATOM 0 HG13 ILE A 73 98.053 -15.601 8.805 1.00 0.00 H new ATOM 0 HG21 ILE A 73 96.287 -17.463 6.052 1.00 0.00 H new ATOM 0 HG22 ILE A 73 97.305 -18.915 6.204 1.00 0.00 H new ATOM 0 HG23 ILE A 73 96.184 -18.473 7.514 1.00 0.00 H new ATOM 0 HD11 ILE A 73 96.253 -14.246 7.768 1.00 0.00 H new ATOM 0 HD12 ILE A 73 97.491 -14.664 6.560 1.00 0.00 H new ATOM 0 HD13 ILE A 73 95.945 -15.544 6.590 1.00 0.00 H new ATOM 1084 N ASN A 74 98.911 -20.483 7.842 1.00 0.00 N ATOM 1085 CA ASN A 74 99.574 -21.669 7.299 1.00 0.00 C ATOM 1086 C ASN A 74 99.660 -21.620 5.773 1.00 0.00 C ATOM 1087 O ASN A 74 100.586 -22.183 5.189 1.00 0.00 O ATOM 1088 CB ASN A 74 98.828 -22.931 7.739 1.00 0.00 C ATOM 1089 CG ASN A 74 97.411 -22.942 7.170 1.00 0.00 C ATOM 1090 OD1 ASN A 74 96.818 -21.884 6.959 1.00 0.00 O ATOM 1091 ND2 ASN A 74 96.833 -24.083 6.907 1.00 0.00 N ATOM 0 H ASN A 74 98.052 -20.670 8.359 1.00 0.00 H new ATOM 0 HA ASN A 74 100.591 -21.690 7.689 1.00 0.00 H new ATOM 0 HB2 ASN A 74 99.368 -23.816 7.402 1.00 0.00 H new ATOM 0 HB3 ASN A 74 98.789 -22.977 8.827 1.00 0.00 H new ATOM 0 HD21 ASN A 74 95.887 -24.100 6.525 1.00 0.00 H new ATOM 0 HD22 ASN A 74 97.327 -24.958 7.083 1.00 0.00 H new ATOM 1098 N ASP A 75 98.705 -20.955 5.124 1.00 0.00 N ATOM 1099 CA ASP A 75 98.804 -20.708 3.692 1.00 0.00 C ATOM 1100 C ASP A 75 99.845 -19.623 3.437 1.00 0.00 C ATOM 1101 O ASP A 75 100.466 -19.124 4.377 1.00 0.00 O ATOM 1102 CB ASP A 75 97.447 -20.264 3.138 1.00 0.00 C ATOM 1103 CG ASP A 75 96.411 -21.373 3.311 1.00 0.00 C ATOM 1104 OD1 ASP A 75 96.791 -22.533 3.265 1.00 0.00 O ATOM 1105 OD2 ASP A 75 95.249 -21.045 3.485 1.00 0.00 O ATOM 0 H ASP A 75 97.864 -20.582 5.564 1.00 0.00 H new ATOM 0 HA ASP A 75 99.104 -21.628 3.190 1.00 0.00 H new ATOM 0 HB2 ASP A 75 97.114 -19.363 3.654 1.00 0.00 H new ATOM 0 HB3 ASP A 75 97.544 -20.010 2.082 1.00 0.00 H new ATOM 1110 N TRP A 76 100.049 -19.266 2.172 1.00 0.00 N ATOM 1111 CA TRP A 76 100.986 -18.196 1.837 1.00 0.00 C ATOM 1112 C TRP A 76 100.278 -16.841 1.894 1.00 0.00 C ATOM 1113 O TRP A 76 100.391 -16.015 0.987 1.00 0.00 O ATOM 1114 CB TRP A 76 101.575 -18.434 0.445 1.00 0.00 C ATOM 1115 CG TRP A 76 102.163 -19.797 0.273 1.00 0.00 C ATOM 1116 CD1 TRP A 76 101.728 -20.727 -0.609 1.00 0.00 C ATOM 1117 CD2 TRP A 76 103.275 -20.407 0.991 1.00 0.00 C ATOM 1118 NE1 TRP A 76 102.506 -21.864 -0.485 1.00 0.00 N ATOM 1119 CE2 TRP A 76 103.471 -21.716 0.489 1.00 0.00 C ATOM 1120 CE3 TRP A 76 104.124 -19.955 2.016 1.00 0.00 C ATOM 1121 CZ2 TRP A 76 104.478 -22.548 0.990 1.00 0.00 C ATOM 1122 CZ3 TRP A 76 105.134 -20.787 2.522 1.00 0.00 C ATOM 1123 CH2 TRP A 76 105.311 -22.080 2.010 1.00 0.00 C ATOM 0 H TRP A 76 99.585 -19.695 1.371 1.00 0.00 H new ATOM 0 HA TRP A 76 101.798 -18.194 2.564 1.00 0.00 H new ATOM 0 HB2 TRP A 76 100.794 -18.287 -0.301 1.00 0.00 H new ATOM 0 HB3 TRP A 76 102.345 -17.687 0.252 1.00 0.00 H new ATOM 0 HD1 TRP A 76 100.906 -20.602 -1.298 1.00 0.00 H new ATOM 0 HE1 TRP A 76 102.381 -22.708 -1.045 1.00 0.00 H new ATOM 0 HE3 TRP A 76 103.998 -18.960 2.417 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 104.611 -23.543 0.592 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 105.779 -20.429 3.311 1.00 0.00 H new ATOM 0 HH2 TRP A 76 106.091 -22.715 2.404 1.00 0.00 H new ATOM 1134 N ALA A 77 99.553 -16.624 2.987 1.00 0.00 N ATOM 1135 CA ALA A 77 98.732 -15.427 3.160 1.00 0.00 C ATOM 1136 C ALA A 77 99.123 -14.639 4.415 1.00 0.00 C ATOM 1137 O ALA A 77 98.313 -13.868 4.927 1.00 0.00 O ATOM 1138 CB ALA A 77 97.257 -15.823 3.253 1.00 0.00 C ATOM 0 H ALA A 77 99.517 -17.269 3.776 1.00 0.00 H new ATOM 0 HA ALA A 77 98.899 -14.786 2.294 1.00 0.00 H new ATOM 0 HB1 ALA A 77 96.648 -14.929 3.382 1.00 0.00 H new ATOM 0 HB2 ALA A 77 96.960 -16.336 2.338 1.00 0.00 H new ATOM 0 HB3 ALA A 77 97.112 -16.487 4.105 1.00 0.00 H new ATOM 1144 N SER A 78 100.351 -14.810 4.908 1.00 0.00 N ATOM 1145 CA SER A 78 100.690 -14.322 6.241 1.00 0.00 C ATOM 1146 C SER A 78 100.692 -12.801 6.243 1.00 0.00 C ATOM 1147 O SER A 78 101.002 -12.174 5.232 1.00 0.00 O ATOM 1148 CB SER A 78 102.066 -14.841 6.662 1.00 0.00 C ATOM 1149 OG SER A 78 102.143 -14.860 8.081 1.00 0.00 O ATOM 0 H SER A 78 101.113 -15.274 4.413 1.00 0.00 H new ATOM 0 HA SER A 78 99.946 -14.685 6.950 1.00 0.00 H new ATOM 0 HB2 SER A 78 102.228 -15.843 6.263 1.00 0.00 H new ATOM 0 HB3 SER A 78 102.850 -14.204 6.252 1.00 0.00 H new ATOM 0 HG SER A 78 101.432 -14.298 8.455 1.00 0.00 H new ATOM 1155 N ILE A 79 100.349 -12.209 7.384 1.00 0.00 N ATOM 1156 CA ILE A 79 100.085 -10.772 7.431 1.00 0.00 C ATOM 1157 C ILE A 79 100.995 -10.102 8.448 1.00 0.00 C ATOM 1158 O ILE A 79 101.112 -10.548 9.586 1.00 0.00 O ATOM 1159 CB ILE A 79 98.616 -10.519 7.803 1.00 0.00 C ATOM 1160 CG1 ILE A 79 97.698 -11.235 6.806 1.00 0.00 C ATOM 1161 CG2 ILE A 79 98.316 -9.018 7.762 1.00 0.00 C ATOM 1162 CD1 ILE A 79 96.246 -11.133 7.280 1.00 0.00 C ATOM 0 H ILE A 79 100.248 -12.692 8.276 1.00 0.00 H new ATOM 0 HA ILE A 79 100.283 -10.349 6.446 1.00 0.00 H new ATOM 0 HB ILE A 79 98.440 -10.900 8.809 1.00 0.00 H new ATOM 0 HG12 ILE A 79 97.800 -10.789 5.817 1.00 0.00 H new ATOM 0 HG13 ILE A 79 97.989 -12.282 6.715 1.00 0.00 H new ATOM 0 HG21 ILE A 79 97.272 -8.848 8.027 1.00 0.00 H new ATOM 0 HG22 ILE A 79 98.960 -8.499 8.472 1.00 0.00 H new ATOM 0 HG23 ILE A 79 98.502 -8.637 6.758 1.00 0.00 H new ATOM 0 HD11 ILE A 79 95.595 -11.643 6.570 1.00 0.00 H new ATOM 0 HD12 ILE A 79 96.150 -11.600 8.260 1.00 0.00 H new ATOM 0 HD13 ILE A 79 95.958 -10.084 7.348 1.00 0.00 H new ATOM 1174 N TYR A 80 101.651 -9.032 8.018 1.00 0.00 N ATOM 1175 CA TYR A 80 102.426 -8.201 8.929 1.00 0.00 C ATOM 1176 C TYR A 80 101.796 -6.820 8.979 1.00 0.00 C ATOM 1177 O TYR A 80 101.457 -6.272 7.932 1.00 0.00 O ATOM 1178 CB TYR A 80 103.865 -8.060 8.427 1.00 0.00 C ATOM 1179 CG TYR A 80 104.536 -9.368 8.090 1.00 0.00 C ATOM 1180 CD1 TYR A 80 105.003 -10.200 9.113 1.00 0.00 C ATOM 1181 CD2 TYR A 80 104.701 -9.745 6.751 1.00 0.00 C ATOM 1182 CE1 TYR A 80 105.634 -11.410 8.800 1.00 0.00 C ATOM 1183 CE2 TYR A 80 105.332 -10.954 6.438 1.00 0.00 C ATOM 1184 CZ TYR A 80 105.799 -11.787 7.461 1.00 0.00 C ATOM 1185 OH TYR A 80 106.421 -12.978 7.152 1.00 0.00 O ATOM 0 H TYR A 80 101.662 -8.720 7.047 1.00 0.00 H new ATOM 0 HA TYR A 80 102.433 -8.663 9.916 1.00 0.00 H new ATOM 0 HB2 TYR A 80 103.868 -7.425 7.541 1.00 0.00 H new ATOM 0 HB3 TYR A 80 104.454 -7.548 9.188 1.00 0.00 H new ATOM 0 HD1 TYR A 80 104.877 -9.909 10.145 1.00 0.00 H new ATOM 0 HD2 TYR A 80 104.341 -9.103 5.961 1.00 0.00 H new ATOM 0 HE1 TYR A 80 105.993 -12.052 9.590 1.00 0.00 H new ATOM 0 HE2 TYR A 80 105.459 -11.245 5.406 1.00 0.00 H new ATOM 0 HH TYR A 80 106.766 -12.939 6.235 1.00 0.00 H new ATOM 1195 N GLY A 81 101.621 -6.267 10.176 1.00 0.00 N ATOM 1196 CA GLY A 81 101.184 -4.876 10.298 1.00 0.00 C ATOM 1197 C GLY A 81 102.187 -4.107 11.145 1.00 0.00 C ATOM 1198 O GLY A 81 102.626 -4.610 12.175 1.00 0.00 O ATOM 0 H GLY A 81 101.771 -6.749 11.062 1.00 0.00 H new ATOM 0 HA2 GLY A 81 101.100 -4.421 9.311 1.00 0.00 H new ATOM 0 HA3 GLY A 81 100.195 -4.832 10.755 1.00 0.00 H new ATOM 1202 N VAL A 82 102.526 -2.882 10.740 1.00 0.00 N ATOM 1203 CA VAL A 82 103.584 -2.141 11.424 1.00 0.00 C ATOM 1204 C VAL A 82 103.237 -0.666 11.581 1.00 0.00 C ATOM 1205 O VAL A 82 102.500 -0.100 10.774 1.00 0.00 O ATOM 1206 CB VAL A 82 104.895 -2.271 10.642 1.00 0.00 C ATOM 1207 CG1 VAL A 82 105.311 -3.742 10.576 1.00 0.00 C ATOM 1208 CG2 VAL A 82 104.702 -1.737 9.219 1.00 0.00 C ATOM 0 H VAL A 82 102.093 -2.391 9.958 1.00 0.00 H new ATOM 0 HA VAL A 82 103.693 -2.569 12.420 1.00 0.00 H new ATOM 0 HB VAL A 82 105.670 -1.694 11.146 1.00 0.00 H new ATOM 0 HG11 VAL A 82 106.244 -3.832 10.019 1.00 0.00 H new ATOM 0 HG12 VAL A 82 105.453 -4.126 11.586 1.00 0.00 H new ATOM 0 HG13 VAL A 82 104.533 -4.318 10.075 1.00 0.00 H new ATOM 0 HG21 VAL A 82 105.636 -1.831 8.665 1.00 0.00 H new ATOM 0 HG22 VAL A 82 103.924 -2.312 8.717 1.00 0.00 H new ATOM 0 HG23 VAL A 82 104.409 -0.688 9.261 1.00 0.00 H new ATOM 1218 N VAL A 83 103.808 -0.057 12.615 1.00 0.00 N ATOM 1219 CA VAL A 83 103.687 1.381 12.828 1.00 0.00 C ATOM 1220 C VAL A 83 105.092 1.956 12.955 1.00 0.00 C ATOM 1221 O VAL A 83 105.956 1.318 13.555 1.00 0.00 O ATOM 1222 CB VAL A 83 102.897 1.656 14.111 1.00 0.00 C ATOM 1223 CG1 VAL A 83 102.730 3.165 14.303 1.00 0.00 C ATOM 1224 CG2 VAL A 83 101.516 1.002 14.014 1.00 0.00 C ATOM 0 H VAL A 83 104.362 -0.540 13.322 1.00 0.00 H new ATOM 0 HA VAL A 83 103.160 1.843 11.993 1.00 0.00 H new ATOM 0 HB VAL A 83 103.439 1.241 14.960 1.00 0.00 H new ATOM 0 HG11 VAL A 83 102.167 3.355 15.217 1.00 0.00 H new ATOM 0 HG12 VAL A 83 103.712 3.633 14.377 1.00 0.00 H new ATOM 0 HG13 VAL A 83 102.192 3.583 13.452 1.00 0.00 H new ATOM 0 HG21 VAL A 83 100.955 1.199 14.928 1.00 0.00 H new ATOM 0 HG22 VAL A 83 100.977 1.415 13.161 1.00 0.00 H new ATOM 0 HG23 VAL A 83 101.631 -0.074 13.884 1.00 0.00 H new ATOM 1234 N GLY A 84 105.331 3.138 12.385 1.00 0.00 N ATOM 1235 CA GLY A 84 106.672 3.705 12.413 1.00 0.00 C ATOM 1236 C GLY A 84 106.638 5.222 12.479 1.00 0.00 C ATOM 1237 O GLY A 84 105.580 5.841 12.373 1.00 0.00 O ATOM 0 H GLY A 84 104.630 3.707 11.910 1.00 0.00 H new ATOM 0 HA2 GLY A 84 107.214 3.315 13.274 1.00 0.00 H new ATOM 0 HA3 GLY A 84 107.219 3.391 11.524 1.00 0.00 H new ATOM 1241 N VAL A 85 107.819 5.808 12.613 1.00 0.00 N ATOM 1242 CA VAL A 85 107.961 7.257 12.563 1.00 0.00 C ATOM 1243 C VAL A 85 108.916 7.604 11.429 1.00 0.00 C ATOM 1244 O VAL A 85 110.001 7.029 11.330 1.00 0.00 O ATOM 1245 CB VAL A 85 108.492 7.775 13.907 1.00 0.00 C ATOM 1246 CG1 VAL A 85 109.859 7.152 14.211 1.00 0.00 C ATOM 1247 CG2 VAL A 85 108.629 9.300 13.858 1.00 0.00 C ATOM 0 H VAL A 85 108.693 5.303 12.757 1.00 0.00 H new ATOM 0 HA VAL A 85 106.996 7.730 12.381 1.00 0.00 H new ATOM 0 HB VAL A 85 107.789 7.497 14.692 1.00 0.00 H new ATOM 0 HG11 VAL A 85 110.225 7.527 15.167 1.00 0.00 H new ATOM 0 HG12 VAL A 85 109.762 6.067 14.260 1.00 0.00 H new ATOM 0 HG13 VAL A 85 110.563 7.418 13.423 1.00 0.00 H new ATOM 0 HG21 VAL A 85 109.006 9.662 14.814 1.00 0.00 H new ATOM 0 HG22 VAL A 85 109.324 9.578 13.065 1.00 0.00 H new ATOM 0 HG23 VAL A 85 107.655 9.747 13.660 1.00 0.00 H new ATOM 1257 N GLY A 86 108.487 8.504 10.549 1.00 0.00 N ATOM 1258 CA GLY A 86 109.332 8.928 9.431 1.00 0.00 C ATOM 1259 C GLY A 86 109.572 10.430 9.471 1.00 0.00 C ATOM 1260 O GLY A 86 108.630 11.200 9.627 1.00 0.00 O ATOM 0 H GLY A 86 107.571 8.951 10.584 1.00 0.00 H new ATOM 0 HA2 GLY A 86 110.286 8.402 9.471 1.00 0.00 H new ATOM 0 HA3 GLY A 86 108.858 8.656 8.488 1.00 0.00 H new ATOM 1264 N TYR A 87 110.830 10.847 9.340 1.00 0.00 N ATOM 1265 CA TYR A 87 111.154 12.271 9.365 1.00 0.00 C ATOM 1266 C TYR A 87 112.206 12.611 8.315 1.00 0.00 C ATOM 1267 O TYR A 87 112.983 11.752 7.900 1.00 0.00 O ATOM 1268 CB TYR A 87 111.640 12.676 10.761 1.00 0.00 C ATOM 1269 CG TYR A 87 112.986 12.106 11.141 1.00 0.00 C ATOM 1270 CD1 TYR A 87 114.157 12.815 10.846 1.00 0.00 C ATOM 1271 CD2 TYR A 87 113.064 10.870 11.797 1.00 0.00 C ATOM 1272 CE1 TYR A 87 115.404 12.289 11.205 1.00 0.00 C ATOM 1273 CE2 TYR A 87 114.311 10.345 12.156 1.00 0.00 C ATOM 1274 CZ TYR A 87 115.481 11.054 11.861 1.00 0.00 C ATOM 1275 OH TYR A 87 116.710 10.536 12.214 1.00 0.00 O ATOM 0 H TYR A 87 111.632 10.228 9.217 1.00 0.00 H new ATOM 0 HA TYR A 87 110.250 12.832 9.129 1.00 0.00 H new ATOM 0 HB2 TYR A 87 111.691 13.764 10.814 1.00 0.00 H new ATOM 0 HB3 TYR A 87 110.902 12.356 11.497 1.00 0.00 H new ATOM 0 HD1 TYR A 87 114.098 13.768 10.341 1.00 0.00 H new ATOM 0 HD2 TYR A 87 112.162 10.322 12.026 1.00 0.00 H new ATOM 0 HE1 TYR A 87 116.307 12.836 10.976 1.00 0.00 H new ATOM 0 HE2 TYR A 87 114.370 9.392 12.661 1.00 0.00 H new ATOM 0 HH TYR A 87 117.206 10.290 11.405 1.00 0.00 H new ATOM 1285 N GLY A 88 112.225 13.873 7.897 1.00 0.00 N ATOM 1286 CA GLY A 88 113.172 14.334 6.886 1.00 0.00 C ATOM 1287 C GLY A 88 113.958 15.544 7.381 1.00 0.00 C ATOM 1288 O GLY A 88 113.458 16.333 8.183 1.00 0.00 O ATOM 0 H GLY A 88 111.594 14.596 8.243 1.00 0.00 H new ATOM 0 HA2 GLY A 88 113.861 13.528 6.634 1.00 0.00 H new ATOM 0 HA3 GLY A 88 112.636 14.593 5.973 1.00 0.00 H new ATOM 1292 N LYS A 89 115.191 15.684 6.901 1.00 0.00 N ATOM 1293 CA LYS A 89 116.025 16.821 7.273 1.00 0.00 C ATOM 1294 C LYS A 89 116.699 17.403 6.035 1.00 0.00 C ATOM 1295 O LYS A 89 117.039 16.667 5.109 1.00 0.00 O ATOM 1296 CB LYS A 89 117.090 16.385 8.283 1.00 0.00 C ATOM 1297 CG LYS A 89 116.408 15.923 9.573 1.00 0.00 C ATOM 1298 CD LYS A 89 117.453 15.354 10.535 1.00 0.00 C ATOM 1299 CE LYS A 89 118.358 16.478 11.048 1.00 0.00 C ATOM 1300 NZ LYS A 89 117.526 17.530 11.700 1.00 0.00 N ATOM 0 H LYS A 89 115.632 15.027 6.257 1.00 0.00 H new ATOM 0 HA LYS A 89 115.393 17.584 7.728 1.00 0.00 H new ATOM 0 HB2 LYS A 89 117.692 15.577 7.867 1.00 0.00 H new ATOM 0 HB3 LYS A 89 117.768 17.212 8.493 1.00 0.00 H new ATOM 0 HG2 LYS A 89 115.887 16.759 10.040 1.00 0.00 H new ATOM 0 HG3 LYS A 89 115.657 15.166 9.347 1.00 0.00 H new ATOM 0 HD2 LYS A 89 116.959 14.863 11.373 1.00 0.00 H new ATOM 0 HD3 LYS A 89 118.051 14.596 10.029 1.00 0.00 H new ATOM 0 HE2 LYS A 89 119.082 16.080 11.759 1.00 0.00 H new ATOM 0 HE3 LYS A 89 118.925 16.908 10.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 118.000 17.862 12.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 117.400 18.328 11.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 116.596 17.134 11.946 1.00 0.00 H new ATOM 1314 N PHE A 90 116.891 18.720 6.025 1.00 0.00 N ATOM 1315 CA PHE A 90 117.521 19.377 4.886 1.00 0.00 C ATOM 1316 C PHE A 90 118.999 19.626 5.166 1.00 0.00 C ATOM 1317 O PHE A 90 119.358 20.214 6.187 1.00 0.00 O ATOM 1318 CB PHE A 90 116.822 20.709 4.604 1.00 0.00 C ATOM 1319 CG PHE A 90 117.305 21.391 3.346 1.00 0.00 C ATOM 1320 CD1 PHE A 90 118.376 22.288 3.403 1.00 0.00 C ATOM 1321 CD2 PHE A 90 116.675 21.127 2.124 1.00 0.00 C ATOM 1322 CE1 PHE A 90 118.821 22.922 2.235 1.00 0.00 C ATOM 1323 CE2 PHE A 90 117.119 21.761 0.957 1.00 0.00 C ATOM 1324 CZ PHE A 90 118.192 22.658 1.013 1.00 0.00 C ATOM 0 H PHE A 90 116.622 19.346 6.784 1.00 0.00 H new ATOM 0 HA PHE A 90 117.431 18.727 4.016 1.00 0.00 H new ATOM 0 HB2 PHE A 90 115.749 20.537 4.525 1.00 0.00 H new ATOM 0 HB3 PHE A 90 116.976 21.377 5.451 1.00 0.00 H new ATOM 0 HD1 PHE A 90 118.860 22.492 4.347 1.00 0.00 H new ATOM 0 HD2 PHE A 90 115.847 20.435 2.081 1.00 0.00 H new ATOM 0 HE1 PHE A 90 119.649 23.614 2.278 1.00 0.00 H new ATOM 0 HE2 PHE A 90 116.634 21.558 0.014 1.00 0.00 H new ATOM 0 HZ PHE A 90 118.535 23.147 0.113 1.00 0.00 H new ATOM 1334 N GLN A 91 119.855 19.177 4.252 1.00 0.00 N ATOM 1335 CA GLN A 91 121.295 19.357 4.408 1.00 0.00 C ATOM 1336 C GLN A 91 121.801 20.448 3.470 1.00 0.00 C ATOM 1337 O GLN A 91 121.690 20.331 2.250 1.00 0.00 O ATOM 1338 CB GLN A 91 122.020 18.044 4.104 1.00 0.00 C ATOM 1339 CG GLN A 91 123.513 18.197 4.410 1.00 0.00 C ATOM 1340 CD GLN A 91 124.259 16.886 4.169 1.00 0.00 C ATOM 1341 OE1 GLN A 91 123.649 15.843 3.923 1.00 0.00 O ATOM 1342 NE2 GLN A 91 125.563 16.874 4.225 1.00 0.00 N ATOM 0 H GLN A 91 119.579 18.689 3.400 1.00 0.00 H new ATOM 0 HA GLN A 91 121.497 19.654 5.437 1.00 0.00 H new ATOM 0 HB2 GLN A 91 121.597 17.237 4.702 1.00 0.00 H new ATOM 0 HB3 GLN A 91 121.879 17.773 3.058 1.00 0.00 H new ATOM 0 HG2 GLN A 91 123.938 18.981 3.784 1.00 0.00 H new ATOM 0 HG3 GLN A 91 123.645 18.510 5.446 1.00 0.00 H new ATOM 0 HE21 GLN A 91 126.073 17.734 4.428 1.00 0.00 H new ATOM 0 HE22 GLN A 91 126.072 16.005 4.066 1.00 0.00 H new ATOM 1351 N THR A 92 122.356 21.508 4.049 1.00 0.00 N ATOM 1352 CA THR A 92 122.897 22.611 3.258 1.00 0.00 C ATOM 1353 C THR A 92 124.422 22.603 3.316 1.00 0.00 C ATOM 1354 O THR A 92 125.009 22.339 4.366 1.00 0.00 O ATOM 1355 CB THR A 92 122.372 23.942 3.797 1.00 0.00 C ATOM 1356 OG1 THR A 92 120.963 23.867 3.951 1.00 0.00 O ATOM 1357 CG2 THR A 92 122.716 25.062 2.813 1.00 0.00 C ATOM 0 H THR A 92 122.443 21.628 5.058 1.00 0.00 H new ATOM 0 HA THR A 92 122.580 22.488 2.222 1.00 0.00 H new ATOM 0 HB THR A 92 122.834 24.150 4.762 1.00 0.00 H new ATOM 0 HG1 THR A 92 120.619 23.102 3.445 1.00 0.00 H new ATOM 0 HG21 THR A 92 122.342 26.011 3.197 1.00 0.00 H new ATOM 0 HG22 THR A 92 123.798 25.121 2.692 1.00 0.00 H new ATOM 0 HG23 THR A 92 122.254 24.853 1.848 1.00 0.00 H new ATOM 1365 N THR A 93 125.060 22.893 2.186 1.00 0.00 N ATOM 1366 CA THR A 93 126.519 22.912 2.116 1.00 0.00 C ATOM 1367 C THR A 93 127.017 24.285 1.679 1.00 0.00 C ATOM 1368 O THR A 93 126.493 24.875 0.734 1.00 0.00 O ATOM 1369 CB THR A 93 127.003 21.854 1.121 1.00 0.00 C ATOM 1370 OG1 THR A 93 126.451 20.592 1.471 1.00 0.00 O ATOM 1371 CG2 THR A 93 128.530 21.772 1.159 1.00 0.00 C ATOM 0 H THR A 93 124.592 23.118 1.308 1.00 0.00 H new ATOM 0 HA THR A 93 126.916 22.693 3.107 1.00 0.00 H new ATOM 0 HB THR A 93 126.682 22.127 0.116 1.00 0.00 H new ATOM 0 HG1 THR A 93 126.758 19.913 0.835 1.00 0.00 H new ATOM 0 HG21 THR A 93 128.872 21.018 0.450 1.00 0.00 H new ATOM 0 HG22 THR A 93 128.953 22.740 0.891 1.00 0.00 H new ATOM 0 HG23 THR A 93 128.855 21.499 2.163 1.00 0.00 H new ATOM 1379 N GLU A 94 128.046 24.779 2.359 1.00 0.00 N ATOM 1380 CA GLU A 94 128.610 26.089 2.046 1.00 0.00 C ATOM 1381 C GLU A 94 127.562 27.180 2.263 1.00 0.00 C ATOM 1382 O GLU A 94 127.238 27.953 1.359 1.00 0.00 O ATOM 1383 CB GLU A 94 129.118 26.101 0.600 1.00 0.00 C ATOM 1384 CG GLU A 94 129.970 27.355 0.357 1.00 0.00 C ATOM 1385 CD GLU A 94 130.426 27.462 -1.103 1.00 0.00 C ATOM 1386 OE1 GLU A 94 130.073 26.610 -1.907 1.00 0.00 O ATOM 1387 OE2 GLU A 94 131.133 28.412 -1.400 1.00 0.00 O ATOM 0 H GLU A 94 128.506 24.294 3.129 1.00 0.00 H new ATOM 0 HA GLU A 94 129.450 26.288 2.712 1.00 0.00 H new ATOM 0 HB2 GLU A 94 129.709 25.206 0.405 1.00 0.00 H new ATOM 0 HB3 GLU A 94 128.275 26.083 -0.091 1.00 0.00 H new ATOM 0 HG2 GLU A 94 129.395 28.242 0.624 1.00 0.00 H new ATOM 0 HG3 GLU A 94 130.843 27.333 1.009 1.00 0.00 H new ATOM 1394 N TYR A 95 127.008 27.221 3.471 1.00 0.00 N ATOM 1395 CA TYR A 95 126.033 28.248 3.824 1.00 0.00 C ATOM 1396 C TYR A 95 126.161 28.615 5.306 1.00 0.00 C ATOM 1397 O TYR A 95 126.754 27.857 6.074 1.00 0.00 O ATOM 1398 CB TYR A 95 124.614 27.755 3.524 1.00 0.00 C ATOM 1399 CG TYR A 95 124.161 28.052 2.115 1.00 0.00 C ATOM 1400 CD1 TYR A 95 123.507 29.257 1.828 1.00 0.00 C ATOM 1401 CD2 TYR A 95 124.398 27.126 1.094 1.00 0.00 C ATOM 1402 CE1 TYR A 95 123.090 29.534 0.521 1.00 0.00 C ATOM 1403 CE2 TYR A 95 123.980 27.402 -0.214 1.00 0.00 C ATOM 1404 CZ TYR A 95 123.327 28.606 -0.500 1.00 0.00 C ATOM 1405 OH TYR A 95 122.915 28.881 -1.789 1.00 0.00 O ATOM 0 H TYR A 95 127.216 26.559 4.219 1.00 0.00 H new ATOM 0 HA TYR A 95 126.231 29.137 3.225 1.00 0.00 H new ATOM 0 HB2 TYR A 95 124.568 26.679 3.693 1.00 0.00 H new ATOM 0 HB3 TYR A 95 123.921 28.218 4.226 1.00 0.00 H new ATOM 0 HD1 TYR A 95 123.324 29.973 2.616 1.00 0.00 H new ATOM 0 HD2 TYR A 95 124.904 26.197 1.314 1.00 0.00 H new ATOM 0 HE1 TYR A 95 122.586 30.463 0.300 1.00 0.00 H new ATOM 0 HE2 TYR A 95 124.162 26.686 -1.002 1.00 0.00 H new ATOM 0 HH TYR A 95 123.157 28.135 -2.376 1.00 0.00 H new ATOM 1415 N PRO A 96 125.628 29.744 5.730 1.00 0.00 N ATOM 1416 CA PRO A 96 125.693 30.143 7.169 1.00 0.00 C ATOM 1417 C PRO A 96 125.096 29.078 8.083 1.00 0.00 C ATOM 1418 O PRO A 96 123.977 28.614 7.865 1.00 0.00 O ATOM 1419 CB PRO A 96 124.887 31.443 7.249 1.00 0.00 C ATOM 1420 CG PRO A 96 124.863 31.983 5.861 1.00 0.00 C ATOM 1421 CD PRO A 96 124.927 30.772 4.932 1.00 0.00 C ATOM 0 HA PRO A 96 126.723 30.268 7.503 1.00 0.00 H new ATOM 0 HB2 PRO A 96 123.877 31.257 7.615 1.00 0.00 H new ATOM 0 HB3 PRO A 96 125.350 32.150 7.937 1.00 0.00 H new ATOM 0 HG2 PRO A 96 123.957 32.562 5.684 1.00 0.00 H new ATOM 0 HG3 PRO A 96 125.707 32.651 5.688 1.00 0.00 H new ATOM 0 HD2 PRO A 96 123.931 30.440 4.640 1.00 0.00 H new ATOM 0 HD3 PRO A 96 125.468 31.002 4.014 1.00 0.00 H new ATOM 1429 N THR A 97 125.850 28.695 9.109 1.00 0.00 N ATOM 1430 CA THR A 97 125.380 27.691 10.062 1.00 0.00 C ATOM 1431 C THR A 97 124.189 28.192 10.885 1.00 0.00 C ATOM 1432 O THR A 97 123.359 27.397 11.325 1.00 0.00 O ATOM 1433 CB THR A 97 126.518 27.303 11.011 1.00 0.00 C ATOM 1434 OG1 THR A 97 126.923 28.444 11.755 1.00 0.00 O ATOM 1435 CG2 THR A 97 127.704 26.769 10.203 1.00 0.00 C ATOM 0 H THR A 97 126.782 29.061 9.302 1.00 0.00 H new ATOM 0 HA THR A 97 125.053 26.825 9.487 1.00 0.00 H new ATOM 0 HB THR A 97 126.171 26.528 11.694 1.00 0.00 H new ATOM 0 HG1 THR A 97 127.650 28.196 12.364 1.00 0.00 H new ATOM 0 HG21 THR A 97 128.512 26.494 10.881 1.00 0.00 H new ATOM 0 HG22 THR A 97 127.392 25.892 9.635 1.00 0.00 H new ATOM 0 HG23 THR A 97 128.053 27.540 9.517 1.00 0.00 H new ATOM 1443 N TYR A 98 124.100 29.505 11.089 1.00 0.00 N ATOM 1444 CA TYR A 98 123.020 30.080 11.885 1.00 0.00 C ATOM 1445 C TYR A 98 121.647 29.759 11.292 1.00 0.00 C ATOM 1446 O TYR A 98 120.669 29.622 12.028 1.00 0.00 O ATOM 1447 CB TYR A 98 123.190 31.598 11.967 1.00 0.00 C ATOM 1448 CG TYR A 98 124.485 32.021 12.624 1.00 0.00 C ATOM 1449 CD1 TYR A 98 124.584 32.046 14.021 1.00 0.00 C ATOM 1450 CD2 TYR A 98 125.583 32.388 11.838 1.00 0.00 C ATOM 1451 CE1 TYR A 98 125.782 32.438 14.629 1.00 0.00 C ATOM 1452 CE2 TYR A 98 126.780 32.780 12.447 1.00 0.00 C ATOM 1453 CZ TYR A 98 126.880 32.806 13.843 1.00 0.00 C ATOM 1454 OH TYR A 98 128.061 33.193 14.442 1.00 0.00 O ATOM 0 H TYR A 98 124.760 30.187 10.716 1.00 0.00 H new ATOM 0 HA TYR A 98 123.073 29.640 12.881 1.00 0.00 H new ATOM 0 HB2 TYR A 98 123.148 32.016 10.961 1.00 0.00 H new ATOM 0 HB3 TYR A 98 122.353 32.021 12.523 1.00 0.00 H new ATOM 0 HD1 TYR A 98 123.737 31.763 14.628 1.00 0.00 H new ATOM 0 HD2 TYR A 98 125.506 32.369 10.761 1.00 0.00 H new ATOM 0 HE1 TYR A 98 125.859 32.457 15.706 1.00 0.00 H new ATOM 0 HE2 TYR A 98 127.627 33.063 11.840 1.00 0.00 H new ATOM 0 HH TYR A 98 128.721 33.414 13.752 1.00 0.00 H new ATOM 1464 N LYS A 99 121.569 29.636 9.969 1.00 0.00 N ATOM 1465 CA LYS A 99 120.296 29.367 9.306 1.00 0.00 C ATOM 1466 C LYS A 99 119.649 28.103 9.866 1.00 0.00 C ATOM 1467 O LYS A 99 118.434 28.054 10.061 1.00 0.00 O ATOM 1468 CB LYS A 99 120.520 29.208 7.800 1.00 0.00 C ATOM 1469 CG LYS A 99 119.171 29.068 7.091 1.00 0.00 C ATOM 1470 CD LYS A 99 119.395 29.014 5.577 1.00 0.00 C ATOM 1471 CE LYS A 99 120.107 27.711 5.211 1.00 0.00 C ATOM 1472 NZ LYS A 99 119.831 27.378 3.786 1.00 0.00 N ATOM 0 H LYS A 99 122.367 29.718 9.339 1.00 0.00 H new ATOM 0 HA LYS A 99 119.628 30.208 9.489 1.00 0.00 H new ATOM 0 HB2 LYS A 99 121.059 30.071 7.409 1.00 0.00 H new ATOM 0 HB3 LYS A 99 121.137 28.331 7.605 1.00 0.00 H new ATOM 0 HG2 LYS A 99 118.663 28.164 7.427 1.00 0.00 H new ATOM 0 HG3 LYS A 99 118.526 29.909 7.344 1.00 0.00 H new ATOM 0 HD2 LYS A 99 118.440 29.078 5.055 1.00 0.00 H new ATOM 0 HD3 LYS A 99 119.991 29.869 5.256 1.00 0.00 H new ATOM 0 HE2 LYS A 99 121.180 27.813 5.370 1.00 0.00 H new ATOM 0 HE3 LYS A 99 119.764 26.903 5.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 120.258 26.458 3.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 118.803 27.330 3.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 120.238 28.113 3.173 1.00 0.00 H new ATOM 1486 N HIS A 100 120.466 27.089 10.137 1.00 0.00 N ATOM 1487 CA HIS A 100 119.968 25.830 10.687 1.00 0.00 C ATOM 1488 C HIS A 100 119.026 25.138 9.704 1.00 0.00 C ATOM 1489 O HIS A 100 118.275 25.795 8.981 1.00 0.00 O ATOM 1490 CB HIS A 100 119.238 26.079 12.009 1.00 0.00 C ATOM 1491 CG HIS A 100 119.012 24.827 12.813 1.00 0.00 C ATOM 1492 ND1 HIS A 100 117.809 24.141 12.792 1.00 0.00 N ATOM 1493 CD2 HIS A 100 119.828 24.125 13.666 1.00 0.00 C ATOM 1494 CE1 HIS A 100 117.930 23.079 13.608 1.00 0.00 C ATOM 1495 NE2 HIS A 100 119.143 23.021 14.166 1.00 0.00 N ATOM 0 H HIS A 100 121.474 27.113 9.985 1.00 0.00 H new ATOM 0 HA HIS A 100 120.825 25.180 10.865 1.00 0.00 H new ATOM 0 HB2 HIS A 100 119.814 26.786 12.606 1.00 0.00 H new ATOM 0 HB3 HIS A 100 118.276 26.547 11.801 1.00 0.00 H new ATOM 0 HD1 HIS A 100 116.980 24.396 12.254 1.00 0.00 H new ATOM 0 HD2 HIS A 100 120.846 24.389 13.911 1.00 0.00 H new ATOM 0 HE1 HIS A 100 117.144 22.361 13.790 1.00 0.00 H new ATOM 1503 N ASP A 101 119.076 23.812 9.682 1.00 0.00 N ATOM 1504 CA ASP A 101 118.227 23.036 8.784 1.00 0.00 C ATOM 1505 C ASP A 101 116.801 22.960 9.318 1.00 0.00 C ATOM 1506 O ASP A 101 116.498 23.487 10.389 1.00 0.00 O ATOM 1507 CB ASP A 101 118.790 21.621 8.627 1.00 0.00 C ATOM 1508 CG ASP A 101 118.851 20.930 9.985 1.00 0.00 C ATOM 1509 OD1 ASP A 101 117.877 20.289 10.346 1.00 0.00 O ATOM 1510 OD2 ASP A 101 119.872 21.050 10.642 1.00 0.00 O ATOM 0 H ASP A 101 119.692 23.253 10.272 1.00 0.00 H new ATOM 0 HA ASP A 101 118.211 23.533 7.814 1.00 0.00 H new ATOM 0 HB2 ASP A 101 118.164 21.045 7.945 1.00 0.00 H new ATOM 0 HB3 ASP A 101 119.786 21.664 8.187 1.00 0.00 H new ATOM 1515 N THR A 102 115.925 22.301 8.561 1.00 0.00 N ATOM 1516 CA THR A 102 114.527 22.153 8.961 1.00 0.00 C ATOM 1517 C THR A 102 114.147 20.676 8.986 1.00 0.00 C ATOM 1518 O THR A 102 114.570 19.907 8.125 1.00 0.00 O ATOM 1519 CB THR A 102 113.622 22.898 7.977 1.00 0.00 C ATOM 1520 OG1 THR A 102 114.049 24.250 7.875 1.00 0.00 O ATOM 1521 CG2 THR A 102 112.177 22.856 8.478 1.00 0.00 C ATOM 0 H THR A 102 116.158 21.862 7.670 1.00 0.00 H new ATOM 0 HA THR A 102 114.398 22.574 9.958 1.00 0.00 H new ATOM 0 HB THR A 102 113.679 22.422 6.998 1.00 0.00 H new ATOM 0 HG1 THR A 102 113.472 24.729 7.244 1.00 0.00 H new ATOM 0 HG21 THR A 102 111.533 23.387 7.777 1.00 0.00 H new ATOM 0 HG22 THR A 102 111.850 21.819 8.558 1.00 0.00 H new ATOM 0 HG23 THR A 102 112.117 23.332 9.457 1.00 0.00 H new ATOM 1529 N SER A 103 113.348 20.283 9.976 1.00 0.00 N ATOM 1530 CA SER A 103 112.961 18.884 10.114 1.00 0.00 C ATOM 1531 C SER A 103 111.500 18.745 10.528 1.00 0.00 C ATOM 1532 O SER A 103 110.916 19.653 11.120 1.00 0.00 O ATOM 1533 CB SER A 103 113.849 18.204 11.157 1.00 0.00 C ATOM 1534 OG SER A 103 113.553 18.738 12.441 1.00 0.00 O ATOM 0 H SER A 103 112.961 20.906 10.685 1.00 0.00 H new ATOM 0 HA SER A 103 113.088 18.405 9.143 1.00 0.00 H new ATOM 0 HB2 SER A 103 113.680 17.127 11.150 1.00 0.00 H new ATOM 0 HB3 SER A 103 114.900 18.363 10.917 1.00 0.00 H new ATOM 0 HG SER A 103 114.118 18.304 13.114 1.00 0.00 H new ATOM 1540 N ASP A 104 110.922 17.592 10.205 1.00 0.00 N ATOM 1541 CA ASP A 104 109.548 17.283 10.590 1.00 0.00 C ATOM 1542 C ASP A 104 109.318 15.779 10.489 1.00 0.00 C ATOM 1543 O ASP A 104 110.045 15.090 9.775 1.00 0.00 O ATOM 1544 CB ASP A 104 108.567 18.022 9.678 1.00 0.00 C ATOM 1545 CG ASP A 104 108.794 17.617 8.226 1.00 0.00 C ATOM 1546 OD1 ASP A 104 109.589 18.266 7.567 1.00 0.00 O ATOM 1547 OD2 ASP A 104 108.167 16.663 7.794 1.00 0.00 O ATOM 0 H ASP A 104 111.385 16.853 9.676 1.00 0.00 H new ATOM 0 HA ASP A 104 109.383 17.607 11.618 1.00 0.00 H new ATOM 0 HB2 ASP A 104 107.543 17.793 9.972 1.00 0.00 H new ATOM 0 HB3 ASP A 104 108.697 19.099 9.788 1.00 0.00 H new ATOM 1552 N TYR A 105 108.303 15.277 11.190 1.00 0.00 N ATOM 1553 CA TYR A 105 108.035 13.839 11.208 1.00 0.00 C ATOM 1554 C TYR A 105 106.544 13.548 11.052 1.00 0.00 C ATOM 1555 O TYR A 105 105.703 14.412 11.294 1.00 0.00 O ATOM 1556 CB TYR A 105 108.558 13.234 12.517 1.00 0.00 C ATOM 1557 CG TYR A 105 107.787 13.659 13.746 1.00 0.00 C ATOM 1558 CD1 TYR A 105 108.112 14.857 14.397 1.00 0.00 C ATOM 1559 CD2 TYR A 105 106.751 12.854 14.235 1.00 0.00 C ATOM 1560 CE1 TYR A 105 107.397 15.249 15.535 1.00 0.00 C ATOM 1561 CE2 TYR A 105 106.037 13.249 15.374 1.00 0.00 C ATOM 1562 CZ TYR A 105 106.361 14.445 16.023 1.00 0.00 C ATOM 1563 OH TYR A 105 105.656 14.833 17.146 1.00 0.00 O ATOM 0 H TYR A 105 107.658 15.837 11.748 1.00 0.00 H new ATOM 0 HA TYR A 105 108.552 13.384 10.363 1.00 0.00 H new ATOM 0 HB2 TYR A 105 108.527 12.147 12.440 1.00 0.00 H new ATOM 0 HB3 TYR A 105 109.604 13.515 12.642 1.00 0.00 H new ATOM 0 HD1 TYR A 105 108.913 15.477 14.021 1.00 0.00 H new ATOM 0 HD2 TYR A 105 106.503 11.930 13.735 1.00 0.00 H new ATOM 0 HE1 TYR A 105 107.645 16.173 16.037 1.00 0.00 H new ATOM 0 HE2 TYR A 105 105.236 12.630 15.751 1.00 0.00 H new ATOM 0 HH TYR A 105 104.971 14.163 17.350 1.00 0.00 H new ATOM 1573 N GLY A 106 106.230 12.321 10.643 1.00 0.00 N ATOM 1574 CA GLY A 106 104.843 11.915 10.453 1.00 0.00 C ATOM 1575 C GLY A 106 104.635 10.474 10.901 1.00 0.00 C ATOM 1576 O GLY A 106 105.596 9.729 11.097 1.00 0.00 O ATOM 0 H GLY A 106 106.916 11.594 10.438 1.00 0.00 H new ATOM 0 HA2 GLY A 106 104.185 12.575 11.019 1.00 0.00 H new ATOM 0 HA3 GLY A 106 104.570 12.017 9.403 1.00 0.00 H new ATOM 1580 N PHE A 107 103.373 10.081 11.025 1.00 0.00 N ATOM 1581 CA PHE A 107 103.024 8.735 11.464 1.00 0.00 C ATOM 1582 C PHE A 107 102.826 7.825 10.255 1.00 0.00 C ATOM 1583 O PHE A 107 102.025 8.137 9.373 1.00 0.00 O ATOM 1584 CB PHE A 107 101.726 8.814 12.270 1.00 0.00 C ATOM 1585 CG PHE A 107 101.232 7.490 12.802 1.00 0.00 C ATOM 1586 CD1 PHE A 107 100.383 6.698 12.019 1.00 0.00 C ATOM 1587 CD2 PHE A 107 101.601 7.067 14.084 1.00 0.00 C ATOM 1588 CE1 PHE A 107 99.905 5.480 12.517 1.00 0.00 C ATOM 1589 CE2 PHE A 107 101.123 5.849 14.582 1.00 0.00 C ATOM 1590 CZ PHE A 107 100.276 5.054 13.799 1.00 0.00 C ATOM 0 H PHE A 107 102.571 10.679 10.827 1.00 0.00 H new ATOM 0 HA PHE A 107 103.825 8.325 12.078 1.00 0.00 H new ATOM 0 HB2 PHE A 107 101.876 9.494 13.109 1.00 0.00 H new ATOM 0 HB3 PHE A 107 100.950 9.250 11.641 1.00 0.00 H new ATOM 0 HD1 PHE A 107 100.097 7.027 11.031 1.00 0.00 H new ATOM 0 HD2 PHE A 107 102.254 7.679 14.688 1.00 0.00 H new ATOM 0 HE1 PHE A 107 99.250 4.869 11.913 1.00 0.00 H new ATOM 0 HE2 PHE A 107 101.408 5.522 15.571 1.00 0.00 H new ATOM 0 HZ PHE A 107 99.909 4.114 14.183 1.00 0.00 H new ATOM 1600 N SER A 108 103.549 6.704 10.206 1.00 0.00 N ATOM 1601 CA SER A 108 103.425 5.783 9.071 1.00 0.00 C ATOM 1602 C SER A 108 102.804 4.460 9.505 1.00 0.00 C ATOM 1603 O SER A 108 103.106 3.947 10.580 1.00 0.00 O ATOM 1604 CB SER A 108 104.805 5.521 8.471 1.00 0.00 C ATOM 1605 OG SER A 108 105.377 6.755 8.058 1.00 0.00 O ATOM 0 H SER A 108 104.214 6.414 10.923 1.00 0.00 H new ATOM 0 HA SER A 108 102.775 6.243 8.326 1.00 0.00 H new ATOM 0 HB2 SER A 108 105.448 5.036 9.206 1.00 0.00 H new ATOM 0 HB3 SER A 108 104.723 4.842 7.622 1.00 0.00 H new ATOM 0 HG SER A 108 106.264 6.592 7.674 1.00 0.00 H new ATOM 1611 N TYR A 109 101.936 3.918 8.656 1.00 0.00 N ATOM 1612 CA TYR A 109 101.331 2.613 8.908 1.00 0.00 C ATOM 1613 C TYR A 109 101.386 1.778 7.633 1.00 0.00 C ATOM 1614 O TYR A 109 101.166 2.317 6.550 1.00 0.00 O ATOM 1615 CB TYR A 109 99.875 2.786 9.343 1.00 0.00 C ATOM 1616 CG TYR A 109 99.196 1.489 9.714 1.00 0.00 C ATOM 1617 CD1 TYR A 109 98.528 0.742 8.734 1.00 0.00 C ATOM 1618 CD2 TYR A 109 99.227 1.035 11.036 1.00 0.00 C ATOM 1619 CE1 TYR A 109 97.896 -0.458 9.078 1.00 0.00 C ATOM 1620 CE2 TYR A 109 98.595 -0.166 11.381 1.00 0.00 C ATOM 1621 CZ TYR A 109 97.930 -0.912 10.402 1.00 0.00 C ATOM 1622 OH TYR A 109 97.306 -2.096 10.742 1.00 0.00 O ATOM 0 H TYR A 109 101.636 4.361 7.788 1.00 0.00 H new ATOM 0 HA TYR A 109 101.881 2.109 9.703 1.00 0.00 H new ATOM 0 HB2 TYR A 109 99.838 3.463 10.197 1.00 0.00 H new ATOM 0 HB3 TYR A 109 99.317 3.260 8.535 1.00 0.00 H new ATOM 0 HD1 TYR A 109 98.501 1.093 7.713 1.00 0.00 H new ATOM 0 HD2 TYR A 109 99.739 1.611 11.792 1.00 0.00 H new ATOM 0 HE1 TYR A 109 97.382 -1.034 8.322 1.00 0.00 H new ATOM 0 HE2 TYR A 109 98.621 -0.516 12.402 1.00 0.00 H new ATOM 0 HH TYR A 109 97.426 -2.266 11.700 1.00 0.00 H new ATOM 1632 N GLY A 110 101.689 0.485 7.752 1.00 0.00 N ATOM 1633 CA GLY A 110 101.815 -0.349 6.558 1.00 0.00 C ATOM 1634 C GLY A 110 101.403 -1.791 6.819 1.00 0.00 C ATOM 1635 O GLY A 110 101.345 -2.233 7.966 1.00 0.00 O ATOM 0 H GLY A 110 101.848 0.003 8.637 1.00 0.00 H new ATOM 0 HA2 GLY A 110 101.198 0.065 5.761 1.00 0.00 H new ATOM 0 HA3 GLY A 110 102.847 -0.325 6.207 1.00 0.00 H new ATOM 1639 N ALA A 111 101.128 -2.517 5.738 1.00 0.00 N ATOM 1640 CA ALA A 111 100.800 -3.934 5.845 1.00 0.00 C ATOM 1641 C ALA A 111 101.301 -4.689 4.618 1.00 0.00 C ATOM 1642 O ALA A 111 101.337 -4.132 3.523 1.00 0.00 O ATOM 1643 CB ALA A 111 99.287 -4.114 5.981 1.00 0.00 C ATOM 0 H ALA A 111 101.126 -2.150 4.786 1.00 0.00 H new ATOM 0 HA ALA A 111 101.290 -4.337 6.731 1.00 0.00 H new ATOM 0 HB1 ALA A 111 99.053 -5.176 6.060 1.00 0.00 H new ATOM 0 HB2 ALA A 111 98.938 -3.598 6.875 1.00 0.00 H new ATOM 0 HB3 ALA A 111 98.791 -3.697 5.105 1.00 0.00 H new ATOM 1649 N GLY A 112 101.665 -5.956 4.798 1.00 0.00 N ATOM 1650 CA GLY A 112 102.202 -6.739 3.686 1.00 0.00 C ATOM 1651 C GLY A 112 101.849 -8.220 3.787 1.00 0.00 C ATOM 1652 O GLY A 112 101.504 -8.717 4.859 1.00 0.00 O ATOM 0 H GLY A 112 101.601 -6.456 5.685 1.00 0.00 H new ATOM 0 HA2 GLY A 112 101.817 -6.341 2.747 1.00 0.00 H new ATOM 0 HA3 GLY A 112 103.286 -6.629 3.659 1.00 0.00 H new ATOM 1656 N LEU A 113 101.971 -8.916 2.655 1.00 0.00 N ATOM 1657 CA LEU A 113 101.657 -10.342 2.579 1.00 0.00 C ATOM 1658 C LEU A 113 102.939 -11.139 2.350 1.00 0.00 C ATOM 1659 O LEU A 113 103.888 -10.617 1.764 1.00 0.00 O ATOM 1660 CB LEU A 113 100.673 -10.611 1.428 1.00 0.00 C ATOM 1661 CG LEU A 113 99.212 -10.366 1.842 1.00 0.00 C ATOM 1662 CD1 LEU A 113 98.785 -11.384 2.903 1.00 0.00 C ATOM 1663 CD2 LEU A 113 99.025 -8.946 2.390 1.00 0.00 C ATOM 0 H LEU A 113 102.287 -8.511 1.774 1.00 0.00 H new ATOM 0 HA LEU A 113 101.197 -10.651 3.518 1.00 0.00 H new ATOM 0 HB2 LEU A 113 100.922 -9.969 0.583 1.00 0.00 H new ATOM 0 HB3 LEU A 113 100.785 -11.641 1.090 1.00 0.00 H new ATOM 0 HG LEU A 113 98.589 -10.482 0.955 1.00 0.00 H new ATOM 0 HD11 LEU A 113 97.749 -11.200 3.188 1.00 0.00 H new ATOM 0 HD12 LEU A 113 98.876 -12.392 2.498 1.00 0.00 H new ATOM 0 HD13 LEU A 113 99.425 -11.286 3.780 1.00 0.00 H new ATOM 0 HD21 LEU A 113 97.983 -8.800 2.675 1.00 0.00 H new ATOM 0 HD22 LEU A 113 99.663 -8.806 3.263 1.00 0.00 H new ATOM 0 HD23 LEU A 113 99.296 -8.221 1.622 1.00 0.00 H new ATOM 1675 N GLN A 114 102.961 -12.396 2.797 1.00 0.00 N ATOM 1676 CA GLN A 114 104.166 -13.218 2.687 1.00 0.00 C ATOM 1677 C GLN A 114 103.943 -14.429 1.782 1.00 0.00 C ATOM 1678 O GLN A 114 102.940 -15.131 1.903 1.00 0.00 O ATOM 1679 CB GLN A 114 104.576 -13.711 4.077 1.00 0.00 C ATOM 1680 CG GLN A 114 105.943 -14.397 4.005 1.00 0.00 C ATOM 1681 CD GLN A 114 107.045 -13.352 3.862 1.00 0.00 C ATOM 1682 OE1 GLN A 114 107.228 -12.518 4.748 1.00 0.00 O ATOM 1683 NE2 GLN A 114 107.794 -13.350 2.795 1.00 0.00 N ATOM 0 H GLN A 114 102.166 -12.863 3.234 1.00 0.00 H new ATOM 0 HA GLN A 114 104.951 -12.600 2.250 1.00 0.00 H new ATOM 0 HB2 GLN A 114 104.616 -12.873 4.772 1.00 0.00 H new ATOM 0 HB3 GLN A 114 103.830 -14.407 4.460 1.00 0.00 H new ATOM 0 HG2 GLN A 114 106.109 -14.991 4.904 1.00 0.00 H new ATOM 0 HG3 GLN A 114 105.970 -15.084 3.159 1.00 0.00 H new ATOM 0 HE21 GLN A 114 107.640 -14.043 2.062 1.00 0.00 H new ATOM 0 HE22 GLN A 114 108.534 -12.656 2.693 1.00 0.00 H new ATOM 1692 N PHE A 115 104.890 -14.663 0.878 1.00 0.00 N ATOM 1693 CA PHE A 115 104.924 -15.901 0.112 1.00 0.00 C ATOM 1694 C PHE A 115 106.367 -16.376 0.106 1.00 0.00 C ATOM 1695 O PHE A 115 107.210 -15.752 -0.534 1.00 0.00 O ATOM 1696 CB PHE A 115 104.453 -15.654 -1.323 1.00 0.00 C ATOM 1697 CG PHE A 115 104.382 -16.907 -2.163 1.00 0.00 C ATOM 1698 CD1 PHE A 115 105.502 -17.320 -2.896 1.00 0.00 C ATOM 1699 CD2 PHE A 115 103.201 -17.658 -2.206 1.00 0.00 C ATOM 1700 CE1 PHE A 115 105.439 -18.484 -3.674 1.00 0.00 C ATOM 1701 CE2 PHE A 115 103.139 -18.821 -2.983 1.00 0.00 C ATOM 1702 CZ PHE A 115 104.258 -19.233 -3.717 1.00 0.00 C ATOM 0 H PHE A 115 105.643 -14.011 0.659 1.00 0.00 H new ATOM 0 HA PHE A 115 104.264 -16.647 0.555 1.00 0.00 H new ATOM 0 HB2 PHE A 115 103.468 -15.188 -1.298 1.00 0.00 H new ATOM 0 HB3 PHE A 115 105.129 -14.945 -1.801 1.00 0.00 H new ATOM 0 HD1 PHE A 115 106.414 -16.742 -2.862 1.00 0.00 H new ATOM 0 HD2 PHE A 115 102.338 -17.340 -1.640 1.00 0.00 H new ATOM 0 HE1 PHE A 115 106.302 -18.803 -4.240 1.00 0.00 H new ATOM 0 HE2 PHE A 115 102.228 -19.400 -3.016 1.00 0.00 H new ATOM 0 HZ PHE A 115 104.209 -20.130 -4.317 1.00 0.00 H new ATOM 1712 N ASN A 116 106.666 -17.467 0.814 1.00 0.00 N ATOM 1713 CA ASN A 116 108.064 -17.789 1.099 1.00 0.00 C ATOM 1714 C ASN A 116 108.380 -19.283 1.009 1.00 0.00 C ATOM 1715 O ASN A 116 107.743 -20.096 1.678 1.00 0.00 O ATOM 1716 CB ASN A 116 108.383 -17.325 2.523 1.00 0.00 C ATOM 1717 CG ASN A 116 107.453 -18.009 3.520 1.00 0.00 C ATOM 1718 OD1 ASN A 116 106.245 -17.774 3.507 1.00 0.00 O ATOM 1719 ND2 ASN A 116 107.949 -18.849 4.389 1.00 0.00 N ATOM 0 H ASN A 116 105.982 -18.124 1.190 1.00 0.00 H new ATOM 0 HA ASN A 116 108.667 -17.283 0.345 1.00 0.00 H new ATOM 0 HB2 ASN A 116 109.420 -17.556 2.765 1.00 0.00 H new ATOM 0 HB3 ASN A 116 108.272 -16.243 2.594 1.00 0.00 H new ATOM 0 HD21 ASN A 116 107.335 -19.312 5.059 1.00 0.00 H new ATOM 0 HD22 ASN A 116 108.951 -19.042 4.398 1.00 0.00 H new ATOM 1726 N PRO A 117 109.347 -19.661 0.207 1.00 0.00 N ATOM 1727 CA PRO A 117 110.090 -20.928 0.402 1.00 0.00 C ATOM 1728 C PRO A 117 111.435 -20.627 1.054 1.00 0.00 C ATOM 1729 O PRO A 117 111.769 -19.459 1.261 1.00 0.00 O ATOM 1730 CB PRO A 117 110.268 -21.450 -1.026 1.00 0.00 C ATOM 1731 CG PRO A 117 110.206 -20.249 -1.918 1.00 0.00 C ATOM 1732 CD PRO A 117 109.773 -19.053 -1.063 1.00 0.00 C ATOM 0 HA PRO A 117 109.587 -21.648 1.047 1.00 0.00 H new ATOM 0 HB2 PRO A 117 111.221 -21.968 -1.136 1.00 0.00 H new ATOM 0 HB3 PRO A 117 109.485 -22.165 -1.280 1.00 0.00 H new ATOM 0 HG2 PRO A 117 111.178 -20.061 -2.374 1.00 0.00 H new ATOM 0 HG3 PRO A 117 109.499 -20.413 -2.731 1.00 0.00 H new ATOM 0 HD2 PRO A 117 110.593 -18.351 -0.914 1.00 0.00 H new ATOM 0 HD3 PRO A 117 108.960 -18.499 -1.533 1.00 0.00 H new ATOM 1740 N MET A 118 112.205 -21.661 1.376 1.00 0.00 N ATOM 1741 CA MET A 118 113.507 -21.454 2.001 1.00 0.00 C ATOM 1742 C MET A 118 114.398 -20.596 1.102 1.00 0.00 C ATOM 1743 O MET A 118 114.008 -20.233 -0.007 1.00 0.00 O ATOM 1744 CB MET A 118 114.179 -22.802 2.275 1.00 0.00 C ATOM 1745 CG MET A 118 113.347 -23.588 3.289 1.00 0.00 C ATOM 1746 SD MET A 118 114.245 -25.080 3.780 1.00 0.00 S ATOM 1747 CE MET A 118 115.506 -24.266 4.791 1.00 0.00 C ATOM 0 H MET A 118 111.956 -22.637 1.218 1.00 0.00 H new ATOM 0 HA MET A 118 113.361 -20.933 2.947 1.00 0.00 H new ATOM 0 HB2 MET A 118 114.274 -23.369 1.349 1.00 0.00 H new ATOM 0 HB3 MET A 118 115.188 -22.647 2.658 1.00 0.00 H new ATOM 0 HG2 MET A 118 113.141 -22.970 4.163 1.00 0.00 H new ATOM 0 HG3 MET A 118 112.384 -23.857 2.855 1.00 0.00 H new ATOM 0 HE1 MET A 118 115.837 -24.945 5.577 1.00 0.00 H new ATOM 0 HE2 MET A 118 116.356 -23.995 4.164 1.00 0.00 H new ATOM 0 HE3 MET A 118 115.086 -23.367 5.242 1.00 0.00 H new ATOM 1757 N GLU A 119 115.593 -20.275 1.594 1.00 0.00 N ATOM 1758 CA GLU A 119 116.552 -19.480 0.829 1.00 0.00 C ATOM 1759 C GLU A 119 116.007 -18.085 0.503 1.00 0.00 C ATOM 1760 O GLU A 119 114.929 -17.704 0.955 1.00 0.00 O ATOM 1761 CB GLU A 119 116.948 -20.217 -0.460 1.00 0.00 C ATOM 1762 CG GLU A 119 117.662 -21.529 -0.116 1.00 0.00 C ATOM 1763 CD GLU A 119 116.663 -22.659 0.134 1.00 0.00 C ATOM 1764 OE1 GLU A 119 115.555 -22.582 -0.371 1.00 0.00 O ATOM 1765 OE2 GLU A 119 117.026 -23.593 0.832 1.00 0.00 O ATOM 0 H GLU A 119 115.920 -20.553 2.519 1.00 0.00 H new ATOM 0 HA GLU A 119 117.438 -19.347 1.450 1.00 0.00 H new ATOM 0 HB2 GLU A 119 116.060 -20.423 -1.058 1.00 0.00 H new ATOM 0 HB3 GLU A 119 117.600 -19.586 -1.064 1.00 0.00 H new ATOM 0 HG2 GLU A 119 118.330 -21.806 -0.931 1.00 0.00 H new ATOM 0 HG3 GLU A 119 118.282 -21.387 0.769 1.00 0.00 H new ATOM 1772 N ASN A 120 116.774 -17.336 -0.292 1.00 0.00 N ATOM 1773 CA ASN A 120 116.445 -15.958 -0.674 1.00 0.00 C ATOM 1774 C ASN A 120 115.121 -15.825 -1.440 1.00 0.00 C ATOM 1775 O ASN A 120 114.628 -14.714 -1.632 1.00 0.00 O ATOM 1776 CB ASN A 120 117.574 -15.389 -1.538 1.00 0.00 C ATOM 1777 CG ASN A 120 118.874 -15.329 -0.741 1.00 0.00 C ATOM 1778 OD1 ASN A 120 118.852 -15.308 0.491 1.00 0.00 O ATOM 1779 ND2 ASN A 120 120.013 -15.299 -1.375 1.00 0.00 N ATOM 0 H ASN A 120 117.650 -17.671 -0.693 1.00 0.00 H new ATOM 0 HA ASN A 120 116.330 -15.401 0.256 1.00 0.00 H new ATOM 0 HB2 ASN A 120 117.711 -16.010 -2.424 1.00 0.00 H new ATOM 0 HB3 ASN A 120 117.307 -14.391 -1.886 1.00 0.00 H new ATOM 0 HD21 ASN A 120 120.887 -15.258 -0.851 1.00 0.00 H new ATOM 0 HD22 ASN A 120 120.030 -15.316 -2.395 1.00 0.00 H new ATOM 1786 N VAL A 121 114.550 -16.941 -1.876 1.00 0.00 N ATOM 1787 CA VAL A 121 113.442 -16.935 -2.838 1.00 0.00 C ATOM 1788 C VAL A 121 112.095 -16.590 -2.176 1.00 0.00 C ATOM 1789 O VAL A 121 111.040 -16.837 -2.762 1.00 0.00 O ATOM 1790 CB VAL A 121 113.342 -18.291 -3.577 1.00 0.00 C ATOM 1791 CG1 VAL A 121 112.443 -18.147 -4.815 1.00 0.00 C ATOM 1792 CG2 VAL A 121 114.726 -18.780 -4.046 1.00 0.00 C ATOM 0 H VAL A 121 114.836 -17.874 -1.578 1.00 0.00 H new ATOM 0 HA VAL A 121 113.662 -16.152 -3.563 1.00 0.00 H new ATOM 0 HB VAL A 121 112.924 -19.014 -2.877 1.00 0.00 H new ATOM 0 HG11 VAL A 121 112.377 -19.105 -5.330 1.00 0.00 H new ATOM 0 HG12 VAL A 121 111.446 -17.832 -4.506 1.00 0.00 H new ATOM 0 HG13 VAL A 121 112.867 -17.402 -5.488 1.00 0.00 H new ATOM 0 HG21 VAL A 121 114.619 -19.735 -4.561 1.00 0.00 H new ATOM 0 HG22 VAL A 121 115.159 -18.047 -4.726 1.00 0.00 H new ATOM 0 HG23 VAL A 121 115.380 -18.905 -3.183 1.00 0.00 H new ATOM 1802 N ALA A 122 112.103 -16.002 -0.971 1.00 0.00 N ATOM 1803 CA ALA A 122 110.849 -15.640 -0.305 1.00 0.00 C ATOM 1804 C ALA A 122 110.618 -14.134 -0.402 1.00 0.00 C ATOM 1805 O ALA A 122 111.551 -13.349 -0.229 1.00 0.00 O ATOM 1806 CB ALA A 122 110.915 -16.050 1.166 1.00 0.00 C ATOM 0 H ALA A 122 112.948 -15.771 -0.448 1.00 0.00 H new ATOM 0 HA ALA A 122 110.025 -16.159 -0.795 1.00 0.00 H new ATOM 0 HB1 ALA A 122 109.982 -15.781 1.661 1.00 0.00 H new ATOM 0 HB2 ALA A 122 111.066 -17.127 1.237 1.00 0.00 H new ATOM 0 HB3 ALA A 122 111.745 -15.535 1.650 1.00 0.00 H new ATOM 1812 N LEU A 123 109.372 -13.739 -0.676 1.00 0.00 N ATOM 1813 CA LEU A 123 109.064 -12.353 -1.028 1.00 0.00 C ATOM 1814 C LEU A 123 108.039 -11.756 -0.068 1.00 0.00 C ATOM 1815 O LEU A 123 107.132 -12.446 0.397 1.00 0.00 O ATOM 1816 CB LEU A 123 108.500 -12.303 -2.459 1.00 0.00 C ATOM 1817 CG LEU A 123 109.611 -12.231 -3.521 1.00 0.00 C ATOM 1818 CD1 LEU A 123 110.347 -10.895 -3.417 1.00 0.00 C ATOM 1819 CD2 LEU A 123 110.607 -13.386 -3.360 1.00 0.00 C ATOM 0 H LEU A 123 108.562 -14.359 -0.661 1.00 0.00 H new ATOM 0 HA LEU A 123 109.983 -11.771 -0.961 1.00 0.00 H new ATOM 0 HB2 LEU A 123 107.887 -13.186 -2.637 1.00 0.00 H new ATOM 0 HB3 LEU A 123 107.847 -11.436 -2.560 1.00 0.00 H new ATOM 0 HG LEU A 123 109.146 -12.315 -4.503 1.00 0.00 H new ATOM 0 HD11 LEU A 123 111.132 -10.852 -4.172 1.00 0.00 H new ATOM 0 HD12 LEU A 123 109.643 -10.078 -3.578 1.00 0.00 H new ATOM 0 HD13 LEU A 123 110.791 -10.801 -2.426 1.00 0.00 H new ATOM 0 HD21 LEU A 123 111.380 -13.309 -4.124 1.00 0.00 H new ATOM 0 HD22 LEU A 123 111.066 -13.336 -2.373 1.00 0.00 H new ATOM 0 HD23 LEU A 123 110.083 -14.336 -3.469 1.00 0.00 H new ATOM 1831 N ASP A 124 108.189 -10.463 0.201 1.00 0.00 N ATOM 1832 CA ASP A 124 107.211 -9.727 0.996 1.00 0.00 C ATOM 1833 C ASP A 124 106.831 -8.439 0.277 1.00 0.00 C ATOM 1834 O ASP A 124 107.708 -7.709 -0.191 1.00 0.00 O ATOM 1835 CB ASP A 124 107.795 -9.398 2.372 1.00 0.00 C ATOM 1836 CG ASP A 124 106.727 -8.754 3.251 1.00 0.00 C ATOM 1837 OD1 ASP A 124 106.033 -9.485 3.937 1.00 0.00 O ATOM 1838 OD2 ASP A 124 106.620 -7.539 3.224 1.00 0.00 O ATOM 0 H ASP A 124 108.979 -9.903 -0.120 1.00 0.00 H new ATOM 0 HA ASP A 124 106.322 -10.344 1.126 1.00 0.00 H new ATOM 0 HB2 ASP A 124 108.168 -10.307 2.845 1.00 0.00 H new ATOM 0 HB3 ASP A 124 108.644 -8.723 2.264 1.00 0.00 H new ATOM 1843 N PHE A 125 105.529 -8.177 0.163 1.00 0.00 N ATOM 1844 CA PHE A 125 105.050 -6.976 -0.521 1.00 0.00 C ATOM 1845 C PHE A 125 104.153 -6.173 0.412 1.00 0.00 C ATOM 1846 O PHE A 125 103.231 -6.733 1.002 1.00 0.00 O ATOM 1847 CB PHE A 125 104.268 -7.370 -1.774 1.00 0.00 C ATOM 1848 CG PHE A 125 103.845 -6.191 -2.618 1.00 0.00 C ATOM 1849 CD1 PHE A 125 104.733 -5.643 -3.551 1.00 0.00 C ATOM 1850 CD2 PHE A 125 102.562 -5.650 -2.471 1.00 0.00 C ATOM 1851 CE1 PHE A 125 104.340 -4.553 -4.335 1.00 0.00 C ATOM 1852 CE2 PHE A 125 102.168 -4.561 -3.257 1.00 0.00 C ATOM 1853 CZ PHE A 125 103.057 -4.012 -4.187 1.00 0.00 C ATOM 0 H PHE A 125 104.791 -8.776 0.533 1.00 0.00 H new ATOM 0 HA PHE A 125 105.906 -6.365 -0.809 1.00 0.00 H new ATOM 0 HB2 PHE A 125 104.880 -8.038 -2.379 1.00 0.00 H new ATOM 0 HB3 PHE A 125 103.382 -7.931 -1.478 1.00 0.00 H new ATOM 0 HD1 PHE A 125 105.722 -6.062 -3.666 1.00 0.00 H new ATOM 0 HD2 PHE A 125 101.877 -6.073 -1.751 1.00 0.00 H new ATOM 0 HE1 PHE A 125 105.026 -4.129 -5.054 1.00 0.00 H new ATOM 0 HE2 PHE A 125 101.178 -4.145 -3.145 1.00 0.00 H new ATOM 0 HZ PHE A 125 102.754 -3.170 -4.791 1.00 0.00 H new ATOM 1863 N SER A 126 104.413 -4.872 0.545 1.00 0.00 N ATOM 1864 CA SER A 126 103.665 -4.059 1.505 1.00 0.00 C ATOM 1865 C SER A 126 103.335 -2.682 0.938 1.00 0.00 C ATOM 1866 O SER A 126 104.031 -2.179 0.060 1.00 0.00 O ATOM 1867 CB SER A 126 104.468 -3.901 2.797 1.00 0.00 C ATOM 1868 OG SER A 126 104.974 -5.168 3.191 1.00 0.00 O ATOM 0 H SER A 126 105.121 -4.366 0.012 1.00 0.00 H new ATOM 0 HA SER A 126 102.728 -4.574 1.714 1.00 0.00 H new ATOM 0 HB2 SER A 126 105.289 -3.200 2.646 1.00 0.00 H new ATOM 0 HB3 SER A 126 103.836 -3.488 3.583 1.00 0.00 H new ATOM 0 HG SER A 126 105.491 -5.071 4.018 1.00 0.00 H new ATOM 1874 N TYR A 127 102.260 -2.089 1.451 1.00 0.00 N ATOM 1875 CA TYR A 127 101.873 -0.733 1.082 1.00 0.00 C ATOM 1876 C TYR A 127 101.833 0.120 2.343 1.00 0.00 C ATOM 1877 O TYR A 127 101.403 -0.354 3.397 1.00 0.00 O ATOM 1878 CB TYR A 127 100.495 -0.754 0.417 1.00 0.00 C ATOM 1879 CG TYR A 127 100.086 0.571 -0.184 1.00 0.00 C ATOM 1880 CD1 TYR A 127 100.911 1.200 -1.122 1.00 0.00 C ATOM 1881 CD2 TYR A 127 98.874 1.164 0.193 1.00 0.00 C ATOM 1882 CE1 TYR A 127 100.525 2.423 -1.687 1.00 0.00 C ATOM 1883 CE2 TYR A 127 98.490 2.386 -0.371 1.00 0.00 C ATOM 1884 CZ TYR A 127 99.315 3.015 -1.311 1.00 0.00 C ATOM 1885 OH TYR A 127 98.934 4.221 -1.867 1.00 0.00 O ATOM 0 H TYR A 127 101.638 -2.531 2.128 1.00 0.00 H new ATOM 0 HA TYR A 127 102.593 -0.315 0.378 1.00 0.00 H new ATOM 0 HB2 TYR A 127 100.491 -1.513 -0.365 1.00 0.00 H new ATOM 0 HB3 TYR A 127 99.751 -1.053 1.155 1.00 0.00 H new ATOM 0 HD1 TYR A 127 101.846 0.743 -1.411 1.00 0.00 H new ATOM 0 HD2 TYR A 127 98.237 0.679 0.918 1.00 0.00 H new ATOM 0 HE1 TYR A 127 101.161 2.908 -2.412 1.00 0.00 H new ATOM 0 HE2 TYR A 127 97.556 2.844 -0.081 1.00 0.00 H new ATOM 0 HH TYR A 127 98.877 4.902 -1.164 1.00 0.00 H new ATOM 1895 N GLU A 128 102.305 1.363 2.249 1.00 0.00 N ATOM 1896 CA GLU A 128 102.381 2.237 3.418 1.00 0.00 C ATOM 1897 C GLU A 128 101.644 3.546 3.162 1.00 0.00 C ATOM 1898 O GLU A 128 101.551 4.007 2.024 1.00 0.00 O ATOM 1899 CB GLU A 128 103.845 2.535 3.750 1.00 0.00 C ATOM 1900 CG GLU A 128 104.574 1.227 4.079 1.00 0.00 C ATOM 1901 CD GLU A 128 106.024 1.476 4.505 1.00 0.00 C ATOM 1902 OE1 GLU A 128 106.508 2.591 4.361 1.00 0.00 O ATOM 1903 OE2 GLU A 128 106.641 0.535 4.977 1.00 0.00 O ATOM 0 H GLU A 128 102.638 1.785 1.382 1.00 0.00 H new ATOM 0 HA GLU A 128 101.910 1.727 4.258 1.00 0.00 H new ATOM 0 HB2 GLU A 128 104.326 3.029 2.906 1.00 0.00 H new ATOM 0 HB3 GLU A 128 103.905 3.219 4.596 1.00 0.00 H new ATOM 0 HG2 GLU A 128 104.045 0.707 4.877 1.00 0.00 H new ATOM 0 HG3 GLU A 128 104.558 0.573 3.207 1.00 0.00 H new ATOM 1910 N GLN A 129 101.124 4.138 4.233 1.00 0.00 N ATOM 1911 CA GLN A 129 100.401 5.399 4.129 1.00 0.00 C ATOM 1912 C GLN A 129 100.885 6.398 5.171 1.00 0.00 C ATOM 1913 O GLN A 129 101.115 6.049 6.330 1.00 0.00 O ATOM 1914 CB GLN A 129 98.899 5.160 4.306 1.00 0.00 C ATOM 1915 CG GLN A 129 98.331 4.504 3.046 1.00 0.00 C ATOM 1916 CD GLN A 129 98.428 5.472 1.871 1.00 0.00 C ATOM 1917 OE1 GLN A 129 99.127 5.144 0.819 1.00 0.00 O flip ATOM 1918 NE2 GLN A 129 97.875 6.570 1.924 1.00 0.00 N flip ATOM 0 H GLN A 129 101.190 3.765 5.180 1.00 0.00 H new ATOM 0 HA GLN A 129 100.591 5.814 3.139 1.00 0.00 H new ATOM 0 HB2 GLN A 129 98.722 4.522 5.172 1.00 0.00 H new ATOM 0 HB3 GLN A 129 98.390 6.105 4.497 1.00 0.00 H new ATOM 0 HG2 GLN A 129 98.880 3.589 2.822 1.00 0.00 H new ATOM 0 HG3 GLN A 129 97.292 4.220 3.210 1.00 0.00 H new ATOM 0 HE21 GLN A 129 97.329 6.827 2.746 1.00 0.00 H new ATOM 0 HE22 GLN A 129 97.963 7.223 1.146 1.00 0.00 H new ATOM 1927 N SER A 130 101.067 7.632 4.715 1.00 0.00 N ATOM 1928 CA SER A 130 101.370 8.757 5.585 1.00 0.00 C ATOM 1929 C SER A 130 100.188 9.714 5.553 1.00 0.00 C ATOM 1930 O SER A 130 99.653 9.986 4.472 1.00 0.00 O ATOM 1931 CB SER A 130 102.638 9.483 5.135 1.00 0.00 C ATOM 1932 OG SER A 130 103.080 10.343 6.177 1.00 0.00 O ATOM 0 H SER A 130 101.008 7.879 3.727 1.00 0.00 H new ATOM 0 HA SER A 130 101.543 8.391 6.597 1.00 0.00 H new ATOM 0 HB2 SER A 130 103.417 8.761 4.889 1.00 0.00 H new ATOM 0 HB3 SER A 130 102.440 10.059 4.231 1.00 0.00 H new ATOM 0 HG SER A 130 103.894 10.809 5.893 1.00 0.00 H new ATOM 1938 N ARG A 131 99.909 10.338 6.694 1.00 0.00 N ATOM 1939 CA ARG A 131 98.608 10.946 6.963 1.00 0.00 C ATOM 1940 C ARG A 131 98.610 12.384 6.477 1.00 0.00 C ATOM 1941 O ARG A 131 99.632 13.069 6.532 1.00 0.00 O ATOM 1942 CB ARG A 131 98.306 10.905 8.463 1.00 0.00 C ATOM 1943 CG ARG A 131 98.215 9.451 8.928 1.00 0.00 C ATOM 1944 CD ARG A 131 97.870 9.409 10.417 1.00 0.00 C ATOM 1945 NE ARG A 131 96.493 9.867 10.631 1.00 0.00 N ATOM 1946 CZ ARG A 131 95.415 9.116 10.365 1.00 0.00 C ATOM 1947 NH1 ARG A 131 95.510 7.897 9.889 1.00 0.00 N ATOM 1948 NH2 ARG A 131 94.228 9.614 10.590 1.00 0.00 N ATOM 0 H ARG A 131 100.577 10.437 7.458 1.00 0.00 H new ATOM 0 HA ARG A 131 97.837 10.386 6.435 1.00 0.00 H new ATOM 0 HB2 ARG A 131 99.088 11.426 9.016 1.00 0.00 H new ATOM 0 HB3 ARG A 131 97.370 11.423 8.670 1.00 0.00 H new ATOM 0 HG2 ARG A 131 97.455 8.922 8.353 1.00 0.00 H new ATOM 0 HG3 ARG A 131 99.162 8.942 8.749 1.00 0.00 H new ATOM 0 HD2 ARG A 131 97.986 8.394 10.796 1.00 0.00 H new ATOM 0 HD3 ARG A 131 98.562 10.039 10.976 1.00 0.00 H new ATOM 0 HE ARG A 131 96.348 10.806 11.002 1.00 0.00 H new ATOM 0 HH11 ARG A 131 96.428 7.490 9.709 1.00 0.00 H new ATOM 0 HH12 ARG A 131 94.666 7.356 9.699 1.00 0.00 H new ATOM 0 HH21 ARG A 131 94.134 10.559 10.962 1.00 0.00 H new ATOM 0 HH22 ARG A 131 93.396 9.058 10.394 1.00 0.00 H new ATOM 1962 N ILE A 132 97.456 12.840 6.003 1.00 0.00 N ATOM 1963 CA ILE A 132 97.430 13.787 4.897 1.00 0.00 C ATOM 1964 C ILE A 132 97.517 15.252 5.329 1.00 0.00 C ATOM 1965 O ILE A 132 96.546 15.901 5.717 1.00 0.00 O ATOM 1966 CB ILE A 132 96.169 13.579 4.040 1.00 0.00 C ATOM 1967 CG1 ILE A 132 94.895 13.520 4.899 1.00 0.00 C ATOM 1968 CG2 ILE A 132 96.298 12.266 3.268 1.00 0.00 C ATOM 1969 CD1 ILE A 132 93.666 13.534 3.986 1.00 0.00 C ATOM 0 H ILE A 132 96.539 12.574 6.362 1.00 0.00 H new ATOM 0 HA ILE A 132 98.327 13.580 4.313 1.00 0.00 H new ATOM 0 HB ILE A 132 96.085 14.427 3.361 1.00 0.00 H new ATOM 0 HG12 ILE A 132 94.897 12.618 5.511 1.00 0.00 H new ATOM 0 HG13 ILE A 132 94.864 14.369 5.582 1.00 0.00 H new ATOM 0 HG21 ILE A 132 95.407 12.113 2.659 1.00 0.00 H new ATOM 0 HG22 ILE A 132 97.176 12.308 2.623 1.00 0.00 H new ATOM 0 HG23 ILE A 132 96.403 11.440 3.971 1.00 0.00 H new ATOM 0 HD11 ILE A 132 92.761 13.492 4.593 1.00 0.00 H new ATOM 0 HD12 ILE A 132 93.663 14.449 3.393 1.00 0.00 H new ATOM 0 HD13 ILE A 132 93.697 12.671 3.321 1.00 0.00 H new ATOM 1981 N ARG A 133 98.752 15.731 5.233 1.00 0.00 N ATOM 1982 CA ARG A 133 99.075 17.148 5.144 1.00 0.00 C ATOM 1983 C ARG A 133 99.080 17.512 3.652 1.00 0.00 C ATOM 1984 O ARG A 133 98.734 16.677 2.806 1.00 0.00 O ATOM 1985 CB ARG A 133 100.453 17.394 5.779 1.00 0.00 C ATOM 1986 CG ARG A 133 100.490 18.746 6.499 1.00 0.00 C ATOM 1987 CD ARG A 133 101.835 18.905 7.210 1.00 0.00 C ATOM 1988 NE ARG A 133 102.911 19.065 6.227 1.00 0.00 N ATOM 1989 CZ ARG A 133 104.114 19.580 6.523 1.00 0.00 C ATOM 1990 NH1 ARG A 133 104.422 19.989 7.732 1.00 0.00 N ATOM 1991 NH2 ARG A 133 105.008 19.680 5.577 1.00 0.00 N ATOM 0 H ARG A 133 99.575 15.129 5.215 1.00 0.00 H new ATOM 0 HA ARG A 133 98.350 17.764 5.676 1.00 0.00 H new ATOM 0 HB2 ARG A 133 100.680 16.595 6.485 1.00 0.00 H new ATOM 0 HB3 ARG A 133 101.223 17.367 5.008 1.00 0.00 H new ATOM 0 HG2 ARG A 133 100.346 19.556 5.784 1.00 0.00 H new ATOM 0 HG3 ARG A 133 99.675 18.809 7.220 1.00 0.00 H new ATOM 0 HD2 ARG A 133 101.805 19.771 7.871 1.00 0.00 H new ATOM 0 HD3 ARG A 133 102.030 18.033 7.835 1.00 0.00 H new ATOM 0 HE ARG A 133 102.736 18.769 5.267 1.00 0.00 H new ATOM 0 HH11 ARG A 133 103.736 19.920 8.484 1.00 0.00 H new ATOM 0 HH12 ARG A 133 105.347 20.375 7.919 1.00 0.00 H new ATOM 0 HH21 ARG A 133 104.787 19.369 4.631 1.00 0.00 H new ATOM 0 HH22 ARG A 133 105.928 20.069 5.784 1.00 0.00 H new ATOM 2005 N SER A 134 99.417 18.753 3.303 1.00 0.00 N ATOM 2006 CA SER A 134 99.347 19.186 1.903 1.00 0.00 C ATOM 2007 C SER A 134 100.102 18.238 0.951 1.00 0.00 C ATOM 2008 O SER A 134 99.937 18.336 -0.264 1.00 0.00 O ATOM 2009 CB SER A 134 99.929 20.595 1.773 1.00 0.00 C ATOM 2010 OG SER A 134 101.329 20.545 2.017 1.00 0.00 O ATOM 0 H SER A 134 99.737 19.468 3.956 1.00 0.00 H new ATOM 0 HA SER A 134 98.296 19.174 1.615 1.00 0.00 H new ATOM 0 HB2 SER A 134 99.735 20.991 0.776 1.00 0.00 H new ATOM 0 HB3 SER A 134 99.447 21.268 2.483 1.00 0.00 H new ATOM 0 HG SER A 134 101.708 21.445 1.933 1.00 0.00 H new ATOM 2016 N VAL A 135 100.924 17.326 1.483 1.00 0.00 N ATOM 2017 CA VAL A 135 101.476 16.231 0.686 1.00 0.00 C ATOM 2018 C VAL A 135 101.044 14.885 1.281 1.00 0.00 C ATOM 2019 O VAL A 135 101.123 14.680 2.494 1.00 0.00 O ATOM 2020 CB VAL A 135 103.005 16.340 0.642 1.00 0.00 C ATOM 2021 CG1 VAL A 135 103.585 16.220 2.054 1.00 0.00 C ATOM 2022 CG2 VAL A 135 103.578 15.227 -0.238 1.00 0.00 C ATOM 0 H VAL A 135 101.219 17.327 2.459 1.00 0.00 H new ATOM 0 HA VAL A 135 101.095 16.296 -0.333 1.00 0.00 H new ATOM 0 HB VAL A 135 103.275 17.311 0.226 1.00 0.00 H new ATOM 0 HG11 VAL A 135 104.671 16.299 2.009 1.00 0.00 H new ATOM 0 HG12 VAL A 135 103.189 17.020 2.679 1.00 0.00 H new ATOM 0 HG13 VAL A 135 103.309 15.256 2.480 1.00 0.00 H new ATOM 0 HG21 VAL A 135 104.665 15.309 -0.266 1.00 0.00 H new ATOM 0 HG22 VAL A 135 103.297 14.257 0.173 1.00 0.00 H new ATOM 0 HG23 VAL A 135 103.181 15.321 -1.249 1.00 0.00 H new ATOM 2032 N ASP A 136 100.590 13.973 0.424 1.00 0.00 N ATOM 2033 CA ASP A 136 100.128 12.654 0.862 1.00 0.00 C ATOM 2034 C ASP A 136 101.041 11.564 0.306 1.00 0.00 C ATOM 2035 O ASP A 136 101.454 11.640 -0.851 1.00 0.00 O ATOM 2036 CB ASP A 136 98.694 12.418 0.374 1.00 0.00 C ATOM 2037 CG ASP A 136 98.176 11.057 0.842 1.00 0.00 C ATOM 2038 OD1 ASP A 136 98.636 10.578 1.866 1.00 0.00 O ATOM 2039 OD2 ASP A 136 97.318 10.513 0.165 1.00 0.00 O ATOM 0 H ASP A 136 100.531 14.123 -0.583 1.00 0.00 H new ATOM 0 HA ASP A 136 100.152 12.618 1.951 1.00 0.00 H new ATOM 0 HB2 ASP A 136 98.043 13.208 0.749 1.00 0.00 H new ATOM 0 HB3 ASP A 136 98.663 12.469 -0.714 1.00 0.00 H new ATOM 2044 N VAL A 137 101.361 10.550 1.118 1.00 0.00 N ATOM 2045 CA VAL A 137 102.353 9.549 0.697 1.00 0.00 C ATOM 2046 C VAL A 137 101.700 8.205 0.376 1.00 0.00 C ATOM 2047 O VAL A 137 100.920 7.676 1.166 1.00 0.00 O ATOM 2048 CB VAL A 137 103.412 9.330 1.787 1.00 0.00 C ATOM 2049 CG1 VAL A 137 104.538 8.452 1.236 1.00 0.00 C ATOM 2050 CG2 VAL A 137 104.006 10.669 2.240 1.00 0.00 C ATOM 0 H VAL A 137 100.962 10.400 2.045 1.00 0.00 H new ATOM 0 HA VAL A 137 102.825 9.940 -0.204 1.00 0.00 H new ATOM 0 HB VAL A 137 102.936 8.844 2.638 1.00 0.00 H new ATOM 0 HG11 VAL A 137 105.290 8.296 2.010 1.00 0.00 H new ATOM 0 HG12 VAL A 137 104.131 7.489 0.927 1.00 0.00 H new ATOM 0 HG13 VAL A 137 104.996 8.944 0.378 1.00 0.00 H new ATOM 0 HG21 VAL A 137 104.754 10.492 3.013 1.00 0.00 H new ATOM 0 HG22 VAL A 137 104.473 11.166 1.390 1.00 0.00 H new ATOM 0 HG23 VAL A 137 103.214 11.302 2.640 1.00 0.00 H new ATOM 2060 N GLY A 138 102.032 7.665 -0.794 1.00 0.00 N ATOM 2061 CA GLY A 138 101.673 6.293 -1.137 1.00 0.00 C ATOM 2062 C GLY A 138 102.934 5.534 -1.529 1.00 0.00 C ATOM 2063 O GLY A 138 103.593 5.915 -2.496 1.00 0.00 O ATOM 0 H GLY A 138 102.550 8.158 -1.521 1.00 0.00 H new ATOM 0 HA2 GLY A 138 101.189 5.807 -0.290 1.00 0.00 H new ATOM 0 HA3 GLY A 138 100.958 6.285 -1.960 1.00 0.00 H new ATOM 2067 N THR A 139 103.295 4.494 -0.776 1.00 0.00 N ATOM 2068 CA THR A 139 104.558 3.793 -1.015 1.00 0.00 C ATOM 2069 C THR A 139 104.339 2.295 -1.199 1.00 0.00 C ATOM 2070 O THR A 139 103.612 1.672 -0.429 1.00 0.00 O ATOM 2071 CB THR A 139 105.509 4.026 0.162 1.00 0.00 C ATOM 2072 OG1 THR A 139 105.626 5.421 0.404 1.00 0.00 O ATOM 2073 CG2 THR A 139 106.886 3.449 -0.168 1.00 0.00 C ATOM 0 H THR A 139 102.740 4.122 -0.006 1.00 0.00 H new ATOM 0 HA THR A 139 104.993 4.190 -1.932 1.00 0.00 H new ATOM 0 HB THR A 139 105.114 3.533 1.050 1.00 0.00 H new ATOM 0 HG1 THR A 139 106.233 5.572 1.158 1.00 0.00 H new ATOM 0 HG21 THR A 139 107.561 3.616 0.671 1.00 0.00 H new ATOM 0 HG22 THR A 139 106.797 2.379 -0.355 1.00 0.00 H new ATOM 0 HG23 THR A 139 107.283 3.940 -1.056 1.00 0.00 H new ATOM 2081 N TRP A 140 104.979 1.729 -2.217 1.00 0.00 N ATOM 2082 CA TRP A 140 104.929 0.286 -2.446 1.00 0.00 C ATOM 2083 C TRP A 140 106.332 -0.284 -2.281 1.00 0.00 C ATOM 2084 O TRP A 140 107.292 0.302 -2.780 1.00 0.00 O ATOM 2085 CB TRP A 140 104.427 -0.006 -3.861 1.00 0.00 C ATOM 2086 CG TRP A 140 103.017 0.429 -4.104 1.00 0.00 C ATOM 2087 CD1 TRP A 140 102.654 1.581 -4.711 1.00 0.00 C ATOM 2088 CD2 TRP A 140 101.779 -0.262 -3.764 1.00 0.00 C ATOM 2089 NE1 TRP A 140 101.273 1.645 -4.763 1.00 0.00 N ATOM 2090 CE2 TRP A 140 100.688 0.533 -4.193 1.00 0.00 C ATOM 2091 CE3 TRP A 140 101.498 -1.488 -3.133 1.00 0.00 C ATOM 2092 CZ2 TRP A 140 99.365 0.126 -4.000 1.00 0.00 C ATOM 2093 CZ3 TRP A 140 100.171 -1.900 -2.938 1.00 0.00 C ATOM 2094 CH2 TRP A 140 99.107 -1.096 -3.369 1.00 0.00 C ATOM 0 H TRP A 140 105.538 2.245 -2.897 1.00 0.00 H new ATOM 0 HA TRP A 140 104.248 -0.172 -1.729 1.00 0.00 H new ATOM 0 HB2 TRP A 140 105.080 0.492 -4.578 1.00 0.00 H new ATOM 0 HB3 TRP A 140 104.505 -1.077 -4.050 1.00 0.00 H new ATOM 0 HD1 TRP A 140 103.332 2.330 -5.093 1.00 0.00 H new ATOM 0 HE1 TRP A 140 100.751 2.420 -5.173 1.00 0.00 H new ATOM 0 HE3 TRP A 140 102.309 -2.116 -2.796 1.00 0.00 H new ATOM 0 HZ2 TRP A 140 98.549 0.749 -4.335 1.00 0.00 H new ATOM 0 HZ3 TRP A 140 99.968 -2.843 -2.452 1.00 0.00 H new ATOM 0 HH2 TRP A 140 98.088 -1.420 -3.214 1.00 0.00 H new ATOM 2105 N ILE A 141 106.465 -1.407 -1.571 1.00 0.00 N ATOM 2106 CA ILE A 141 107.787 -1.984 -1.329 1.00 0.00 C ATOM 2107 C ILE A 141 107.809 -3.474 -1.655 1.00 0.00 C ATOM 2108 O ILE A 141 106.833 -4.183 -1.413 1.00 0.00 O ATOM 2109 CB ILE A 141 108.204 -1.744 0.132 1.00 0.00 C ATOM 2110 CG1 ILE A 141 107.272 -2.501 1.089 1.00 0.00 C ATOM 2111 CG2 ILE A 141 108.157 -0.243 0.455 1.00 0.00 C ATOM 2112 CD1 ILE A 141 107.802 -2.385 2.520 1.00 0.00 C ATOM 0 H ILE A 141 105.689 -1.926 -1.161 1.00 0.00 H new ATOM 0 HA ILE A 141 108.502 -1.491 -1.988 1.00 0.00 H new ATOM 0 HB ILE A 141 109.222 -2.112 0.262 1.00 0.00 H new ATOM 0 HG12 ILE A 141 106.263 -2.092 1.030 1.00 0.00 H new ATOM 0 HG13 ILE A 141 107.209 -3.549 0.798 1.00 0.00 H new ATOM 0 HG21 ILE A 141 108.454 -0.084 1.492 1.00 0.00 H new ATOM 0 HG22 ILE A 141 108.840 0.293 -0.204 1.00 0.00 H new ATOM 0 HG23 ILE A 141 107.143 0.129 0.307 1.00 0.00 H new ATOM 0 HD11 ILE A 141 107.139 -2.923 3.198 1.00 0.00 H new ATOM 0 HD12 ILE A 141 108.802 -2.815 2.573 1.00 0.00 H new ATOM 0 HD13 ILE A 141 107.842 -1.335 2.809 1.00 0.00 H new ATOM 2124 N ALA A 142 108.942 -3.937 -2.175 1.00 0.00 N ATOM 2125 CA ALA A 142 109.126 -5.356 -2.448 1.00 0.00 C ATOM 2126 C ALA A 142 110.532 -5.774 -2.037 1.00 0.00 C ATOM 2127 O ALA A 142 111.508 -5.129 -2.419 1.00 0.00 O ATOM 2128 CB ALA A 142 108.918 -5.639 -3.938 1.00 0.00 C ATOM 0 H ALA A 142 109.743 -3.352 -2.414 1.00 0.00 H new ATOM 0 HA ALA A 142 108.394 -5.926 -1.876 1.00 0.00 H new ATOM 0 HB1 ALA A 142 109.058 -6.703 -4.129 1.00 0.00 H new ATOM 0 HB2 ALA A 142 107.908 -5.349 -4.226 1.00 0.00 H new ATOM 0 HB3 ALA A 142 109.640 -5.067 -4.521 1.00 0.00 H new ATOM 2134 N GLY A 143 110.630 -6.837 -1.244 1.00 0.00 N ATOM 2135 CA GLY A 143 111.926 -7.282 -0.738 1.00 0.00 C ATOM 2136 C GLY A 143 112.068 -8.798 -0.814 1.00 0.00 C ATOM 2137 O GLY A 143 111.080 -9.527 -0.753 1.00 0.00 O ATOM 0 H GLY A 143 109.837 -7.402 -0.940 1.00 0.00 H new ATOM 0 HA2 GLY A 143 112.723 -6.812 -1.314 1.00 0.00 H new ATOM 0 HA3 GLY A 143 112.045 -6.956 0.295 1.00 0.00 H new ATOM 2141 N VAL A 144 113.315 -9.251 -0.922 1.00 0.00 N ATOM 2142 CA VAL A 144 113.618 -10.678 -0.985 1.00 0.00 C ATOM 2143 C VAL A 144 114.478 -11.057 0.215 1.00 0.00 C ATOM 2144 O VAL A 144 115.342 -10.281 0.624 1.00 0.00 O ATOM 2145 CB VAL A 144 114.375 -11.004 -2.278 1.00 0.00 C ATOM 2146 CG1 VAL A 144 113.482 -10.712 -3.487 1.00 0.00 C ATOM 2147 CG2 VAL A 144 115.648 -10.153 -2.367 1.00 0.00 C ATOM 0 H VAL A 144 114.135 -8.647 -0.968 1.00 0.00 H new ATOM 0 HA VAL A 144 112.686 -11.243 -0.971 1.00 0.00 H new ATOM 0 HB VAL A 144 114.647 -12.059 -2.273 1.00 0.00 H new ATOM 0 HG11 VAL A 144 114.023 -10.945 -4.404 1.00 0.00 H new ATOM 0 HG12 VAL A 144 112.582 -11.325 -3.431 1.00 0.00 H new ATOM 0 HG13 VAL A 144 113.204 -9.658 -3.488 1.00 0.00 H new ATOM 0 HG21 VAL A 144 116.180 -10.390 -3.288 1.00 0.00 H new ATOM 0 HG22 VAL A 144 115.380 -9.096 -2.364 1.00 0.00 H new ATOM 0 HG23 VAL A 144 116.289 -10.367 -1.512 1.00 0.00 H new ATOM 2157 N GLY A 145 114.223 -12.229 0.791 1.00 0.00 N ATOM 2158 CA GLY A 145 114.974 -12.655 1.965 1.00 0.00 C ATOM 2159 C GLY A 145 115.002 -14.172 2.118 1.00 0.00 C ATOM 2160 O GLY A 145 114.405 -14.907 1.324 1.00 0.00 O ATOM 0 H GLY A 145 113.515 -12.889 0.470 1.00 0.00 H new ATOM 0 HA2 GLY A 145 115.995 -12.281 1.895 1.00 0.00 H new ATOM 0 HA3 GLY A 145 114.532 -12.211 2.857 1.00 0.00 H new ATOM 2164 N TYR A 146 115.711 -14.612 3.156 1.00 0.00 N ATOM 2165 CA TYR A 146 115.815 -16.027 3.490 1.00 0.00 C ATOM 2166 C TYR A 146 115.745 -16.198 5.006 1.00 0.00 C ATOM 2167 O TYR A 146 115.957 -15.239 5.747 1.00 0.00 O ATOM 2168 CB TYR A 146 117.128 -16.597 2.937 1.00 0.00 C ATOM 2169 CG TYR A 146 118.375 -16.107 3.645 1.00 0.00 C ATOM 2170 CD1 TYR A 146 118.951 -14.882 3.285 1.00 0.00 C ATOM 2171 CD2 TYR A 146 118.954 -16.880 4.659 1.00 0.00 C ATOM 2172 CE1 TYR A 146 120.103 -14.432 3.937 1.00 0.00 C ATOM 2173 CE2 TYR A 146 120.106 -16.429 5.313 1.00 0.00 C ATOM 2174 CZ TYR A 146 120.682 -15.205 4.952 1.00 0.00 C ATOM 2175 OH TYR A 146 121.820 -14.760 5.596 1.00 0.00 O ATOM 0 H TYR A 146 116.227 -13.998 3.786 1.00 0.00 H new ATOM 0 HA TYR A 146 114.987 -16.573 3.038 1.00 0.00 H new ATOM 0 HB2 TYR A 146 117.093 -17.685 3.002 1.00 0.00 H new ATOM 0 HB3 TYR A 146 117.203 -16.343 1.880 1.00 0.00 H new ATOM 0 HD1 TYR A 146 118.505 -14.285 2.503 1.00 0.00 H new ATOM 0 HD2 TYR A 146 118.511 -17.825 4.937 1.00 0.00 H new ATOM 0 HE1 TYR A 146 120.547 -13.488 3.658 1.00 0.00 H new ATOM 0 HE2 TYR A 146 120.551 -17.025 6.096 1.00 0.00 H new ATOM 0 HH TYR A 146 122.090 -15.415 6.273 1.00 0.00 H new ATOM 2185 N ARG A 147 115.472 -17.418 5.462 1.00 0.00 N ATOM 2186 CA ARG A 147 115.357 -17.677 6.893 1.00 0.00 C ATOM 2187 C ARG A 147 115.966 -19.028 7.261 1.00 0.00 C ATOM 2188 O ARG A 147 115.954 -19.964 6.460 1.00 0.00 O ATOM 2189 CB ARG A 147 113.883 -17.614 7.317 1.00 0.00 C ATOM 2190 CG ARG A 147 113.079 -18.732 6.644 1.00 0.00 C ATOM 2191 CD ARG A 147 111.591 -18.527 6.921 1.00 0.00 C ATOM 2192 NE ARG A 147 110.815 -19.654 6.395 1.00 0.00 N ATOM 2193 CZ ARG A 147 109.542 -19.902 6.736 1.00 0.00 C ATOM 2194 NH1 ARG A 147 108.883 -19.142 7.576 1.00 0.00 N ATOM 2195 NH2 ARG A 147 108.938 -20.935 6.213 1.00 0.00 N ATOM 0 H ARG A 147 115.328 -18.234 4.868 1.00 0.00 H new ATOM 0 HA ARG A 147 115.914 -16.908 7.428 1.00 0.00 H new ATOM 0 HB2 ARG A 147 113.807 -17.706 8.400 1.00 0.00 H new ATOM 0 HB3 ARG A 147 113.463 -16.645 7.049 1.00 0.00 H new ATOM 0 HG2 ARG A 147 113.263 -18.731 5.570 1.00 0.00 H new ATOM 0 HG3 ARG A 147 113.400 -19.703 7.021 1.00 0.00 H new ATOM 0 HD2 ARG A 147 111.424 -18.431 7.994 1.00 0.00 H new ATOM 0 HD3 ARG A 147 111.253 -17.598 6.461 1.00 0.00 H new ATOM 0 HE ARG A 147 111.268 -20.284 5.733 1.00 0.00 H new ATOM 0 HH11 ARG A 147 109.338 -18.330 7.994 1.00 0.00 H new ATOM 0 HH12 ARG A 147 107.915 -19.362 7.812 1.00 0.00 H new ATOM 0 HH21 ARG A 147 109.434 -21.538 5.557 1.00 0.00 H new ATOM 0 HH22 ARG A 147 107.970 -21.139 6.461 1.00 0.00 H new ATOM 2209 N PHE A 148 116.498 -19.122 8.475 1.00 0.00 N ATOM 2210 CA PHE A 148 117.115 -20.361 8.935 1.00 0.00 C ATOM 2211 C PHE A 148 116.096 -21.495 8.943 1.00 0.00 C ATOM 2212 O PHE A 148 114.914 -21.202 9.024 1.00 0.00 O ATOM 2213 CB PHE A 148 117.680 -20.172 10.343 1.00 0.00 C ATOM 2214 CG PHE A 148 118.447 -21.369 10.851 1.00 0.00 C ATOM 2215 CD1 PHE A 148 119.801 -21.523 10.526 1.00 0.00 C ATOM 2216 CD2 PHE A 148 117.806 -22.328 11.645 1.00 0.00 C ATOM 2217 CE1 PHE A 148 120.511 -22.633 10.995 1.00 0.00 C ATOM 2218 CE2 PHE A 148 118.517 -23.438 12.115 1.00 0.00 C ATOM 2219 CZ PHE A 148 119.870 -23.592 11.789 1.00 0.00 C ATOM 2220 OXT PHE A 148 116.511 -22.640 8.868 1.00 0.00 O ATOM 0 H PHE A 148 116.515 -18.361 9.154 1.00 0.00 H new ATOM 0 HA PHE A 148 117.924 -20.618 8.251 1.00 0.00 H new ATOM 0 HB2 PHE A 148 118.336 -19.301 10.349 1.00 0.00 H new ATOM 0 HB3 PHE A 148 116.860 -19.958 11.029 1.00 0.00 H new ATOM 0 HD1 PHE A 148 120.297 -20.785 9.913 1.00 0.00 H new ATOM 0 HD2 PHE A 148 116.762 -22.211 11.895 1.00 0.00 H new ATOM 0 HE1 PHE A 148 121.555 -22.751 10.744 1.00 0.00 H new ATOM 0 HE2 PHE A 148 118.022 -24.176 12.729 1.00 0.00 H new ATOM 0 HZ PHE A 148 120.419 -24.450 12.150 1.00 0.00 H new TER 2230 PHE A 148