USER MOD reduce.3.24.130724 H: found=0, std=0, add=826, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 698 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 4:sc= -0.823 USER MOD Set 1.2: A 139 THR OG1 : rot 35:sc= 1.96 USER MOD Set 2.1: A 80 TYR OH : rot -44:sc= -0.218 USER MOD Set 2.2: A 126 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 109 TYR OH : rot 180:sc= -0.842 USER MOD Set 3.2: A 129 GLN : amide:sc= -0.858 X(o=-1.7,f=-1.7) USER MOD Set 4.1: A 108 SER OG : rot 180:sc= -0.841 USER MOD Set 4.2: A 130 SER OG : rot 102:sc=2.44e-05 USER MOD Set 5.1: A 61 GLN : amide:sc= 1.91 K(o=4,f=-7.4!) USER MOD Set 5.2: A 63 TYR OH : rot 147:sc= 1.14 USER MOD Set 5.3: A 89 LYS NZ :NH3+ -122:sc= 0.904 (180deg=0) USER MOD Set 6.1: A 25 ASN : amide:sc= -5.26! C(o=-4.1!,f=-8.8!) USER MOD Set 6.2: A 44 THR OG1 : rot -37:sc= 1.15 USER MOD Single : A 2 THR OG1 : rot -37:sc= 0.121 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot -150:sc= 0.246 USER MOD Single : A 6 THR OG1 : rot 14:sc= -1.51! USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -2.01 X(o=-2,f=-1.9) USER MOD Single : A 15 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 17 GLN :FLIP amide:sc= -1.13 F(o=-4!,f=-1.1) USER MOD Single : A 18 MET CE :methyl -153:sc= -0.252 (180deg=-1.52!) USER MOD Single : A 19 ASN : amide:sc= -3.34 K(o=-3.3,f=-7!) USER MOD Single : A 20 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0114) USER MOD Single : A 21 MET CE :methyl -157:sc= -0.809 (180deg=-3.85!) USER MOD Single : A 27 LYS NZ :NH3+ -176:sc= 0.00362 (180deg=0.00315) 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 42 SER OG : rot -49:sc= 0.469 USER MOD Single : A 45 TYR OH : rot -123:sc= 0.775 USER MOD Single : A 46 THR OG1 : rot -105:sc= -0.918 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.559 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot -160:sc= 0 USER MOD Single : A 87 TYR OH : rot 101:sc= 0.22 USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 GLN : amide:sc= -1.92! C(o=-1.9!,f=-1.6!) USER MOD Single : A 116 ASN : amide:sc= -0.027 K(o=-0.027,f=-1.8!) USER MOD Single : A 118 MET CE :methyl 128:sc= -0.175 (180deg=-0.957) USER MOD Single : A 120 ASN : amide:sc= -1.91 K(o=-1.9,f=-2.5!) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 134 SER OG : rot 180:sc= -1.48! USER MOD Single : A 146 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 2 123.933 -18.754 0.514 1.00 0.00 N ATOM 2 CA THR A 2 124.223 -17.830 -0.622 1.00 0.00 C ATOM 3 C THR A 2 123.630 -16.446 -0.342 1.00 0.00 C ATOM 4 O THR A 2 122.860 -16.267 0.582 1.00 0.00 O ATOM 5 CB THR A 2 123.549 -18.468 -1.841 1.00 0.00 C ATOM 6 OG1 THR A 2 122.146 -18.528 -1.628 1.00 0.00 O ATOM 7 CG2 THR A 2 124.099 -19.881 -2.056 1.00 0.00 C ATOM 0 HA THR A 2 125.293 -17.692 -0.777 1.00 0.00 H new ATOM 0 HB THR A 2 123.756 -17.866 -2.725 1.00 0.00 H new ATOM 0 HG1 THR A 2 121.967 -18.733 -0.687 1.00 0.00 H new ATOM 0 HG21 THR A 2 123.617 -20.331 -2.924 1.00 0.00 H new ATOM 0 HG22 THR A 2 125.175 -19.831 -2.224 1.00 0.00 H new ATOM 0 HG23 THR A 2 123.897 -20.488 -1.174 1.00 0.00 H new ATOM 15 N SER A 3 123.977 -15.470 -1.139 1.00 0.00 N ATOM 16 CA SER A 3 123.433 -14.097 -0.931 1.00 0.00 C ATOM 17 C SER A 3 122.510 -13.742 -2.094 1.00 0.00 C ATOM 18 O SER A 3 122.579 -14.348 -3.145 1.00 0.00 O ATOM 19 CB SER A 3 124.655 -13.180 -0.910 1.00 0.00 C ATOM 20 OG SER A 3 125.255 -13.168 -2.199 1.00 0.00 O ATOM 0 H SER A 3 124.616 -15.566 -1.928 1.00 0.00 H new ATOM 0 HA SER A 3 122.853 -14.006 -0.012 1.00 0.00 H new ATOM 0 HB2 SER A 3 124.361 -12.170 -0.623 1.00 0.00 H new ATOM 0 HB3 SER A 3 125.372 -13.527 -0.166 1.00 0.00 H new ATOM 0 HG SER A 3 126.038 -12.579 -2.190 1.00 0.00 H new ATOM 25 N THR A 4 121.654 -12.767 -1.931 1.00 0.00 N ATOM 26 CA THR A 4 120.747 -12.392 -3.055 1.00 0.00 C ATOM 27 C THR A 4 120.668 -10.871 -3.198 1.00 0.00 C ATOM 28 O THR A 4 120.608 -10.146 -2.224 1.00 0.00 O ATOM 29 CB THR A 4 119.380 -12.968 -2.683 1.00 0.00 C ATOM 30 OG1 THR A 4 119.513 -14.356 -2.407 1.00 0.00 O ATOM 31 CG2 THR A 4 118.401 -12.769 -3.844 1.00 0.00 C ATOM 0 H THR A 4 121.544 -12.219 -1.077 1.00 0.00 H new ATOM 0 HA THR A 4 121.104 -12.779 -4.009 1.00 0.00 H new ATOM 0 HB THR A 4 118.999 -12.454 -1.800 1.00 0.00 H new ATOM 0 HG1 THR A 4 118.678 -14.816 -2.635 1.00 0.00 H new ATOM 0 HG21 THR A 4 117.428 -13.181 -3.575 1.00 0.00 H new ATOM 0 HG22 THR A 4 118.298 -11.705 -4.055 1.00 0.00 H new ATOM 0 HG23 THR A 4 118.778 -13.280 -4.730 1.00 0.00 H new ATOM 39 N VAL A 5 120.656 -10.394 -4.412 1.00 0.00 N ATOM 40 CA VAL A 5 120.567 -8.923 -4.648 1.00 0.00 C ATOM 41 C VAL A 5 119.398 -8.629 -5.591 1.00 0.00 C ATOM 42 O VAL A 5 119.148 -9.370 -6.516 1.00 0.00 O ATOM 43 CB VAL A 5 121.907 -8.534 -5.284 1.00 0.00 C ATOM 44 CG1 VAL A 5 122.079 -9.244 -6.635 1.00 0.00 C ATOM 45 CG2 VAL A 5 121.946 -7.017 -5.494 1.00 0.00 C ATOM 0 H VAL A 5 120.704 -10.963 -5.257 1.00 0.00 H new ATOM 0 HA VAL A 5 120.389 -8.357 -3.733 1.00 0.00 H new ATOM 0 HB VAL A 5 122.718 -8.836 -4.621 1.00 0.00 H new ATOM 0 HG11 VAL A 5 123.034 -8.960 -7.076 1.00 0.00 H new ATOM 0 HG12 VAL A 5 122.056 -10.323 -6.484 1.00 0.00 H new ATOM 0 HG13 VAL A 5 121.269 -8.954 -7.304 1.00 0.00 H new ATOM 0 HG21 VAL A 5 122.897 -6.737 -5.946 1.00 0.00 H new ATOM 0 HG22 VAL A 5 121.130 -6.720 -6.152 1.00 0.00 H new ATOM 0 HG23 VAL A 5 121.839 -6.514 -4.533 1.00 0.00 H new ATOM 55 N THR A 6 118.691 -7.548 -5.375 1.00 0.00 N ATOM 56 CA THR A 6 117.543 -7.197 -6.270 1.00 0.00 C ATOM 57 C THR A 6 117.368 -5.676 -6.258 1.00 0.00 C ATOM 58 O THR A 6 117.467 -5.060 -5.214 1.00 0.00 O ATOM 59 CB THR A 6 116.300 -7.860 -5.649 1.00 0.00 C ATOM 60 OG1 THR A 6 115.959 -7.184 -4.449 1.00 0.00 O ATOM 61 CG2 THR A 6 116.561 -9.338 -5.337 1.00 0.00 C ATOM 0 H THR A 6 118.860 -6.890 -4.614 1.00 0.00 H new ATOM 0 HA THR A 6 117.701 -7.531 -7.296 1.00 0.00 H new ATOM 0 HB THR A 6 115.481 -7.797 -6.366 1.00 0.00 H new ATOM 0 HG1 THR A 6 116.445 -6.334 -4.403 1.00 0.00 H new ATOM 0 HG21 THR A 6 115.666 -9.781 -4.899 1.00 0.00 H new ATOM 0 HG22 THR A 6 116.814 -9.865 -6.257 1.00 0.00 H new ATOM 0 HG23 THR A 6 117.389 -9.420 -4.632 1.00 0.00 H new ATOM 69 N GLY A 7 117.106 -5.051 -7.380 1.00 0.00 N ATOM 70 CA GLY A 7 116.930 -3.569 -7.367 1.00 0.00 C ATOM 71 C GLY A 7 115.693 -3.205 -8.188 1.00 0.00 C ATOM 72 O GLY A 7 115.287 -3.942 -9.064 1.00 0.00 O ATOM 0 H GLY A 7 117.008 -5.497 -8.292 1.00 0.00 H new ATOM 0 HA2 GLY A 7 116.820 -3.212 -6.343 1.00 0.00 H new ATOM 0 HA3 GLY A 7 117.813 -3.082 -7.781 1.00 0.00 H new ATOM 75 N GLY A 8 115.087 -2.076 -7.913 1.00 0.00 N ATOM 76 CA GLY A 8 113.871 -1.677 -8.681 1.00 0.00 C ATOM 77 C GLY A 8 113.411 -0.283 -8.245 1.00 0.00 C ATOM 78 O GLY A 8 114.146 0.459 -7.626 1.00 0.00 O ATOM 0 H GLY A 8 115.382 -1.417 -7.192 1.00 0.00 H new ATOM 0 HA2 GLY A 8 114.088 -1.680 -9.749 1.00 0.00 H new ATOM 0 HA3 GLY A 8 113.073 -2.401 -8.516 1.00 0.00 H new ATOM 81 N TYR A 9 112.193 0.069 -8.567 1.00 0.00 N ATOM 82 CA TYR A 9 111.657 1.411 -8.181 1.00 0.00 C ATOM 83 C TYR A 9 110.217 1.257 -7.675 1.00 0.00 C ATOM 84 O TYR A 9 109.583 0.245 -7.921 1.00 0.00 O ATOM 85 CB TYR A 9 111.721 2.252 -9.464 1.00 0.00 C ATOM 86 CG TYR A 9 110.742 1.720 -10.487 1.00 0.00 C ATOM 87 CD1 TYR A 9 111.119 0.669 -11.333 1.00 0.00 C ATOM 88 CD2 TYR A 9 109.462 2.277 -10.589 1.00 0.00 C ATOM 89 CE1 TYR A 9 110.214 0.176 -12.280 1.00 0.00 C ATOM 90 CE2 TYR A 9 108.558 1.784 -11.536 1.00 0.00 C ATOM 91 CZ TYR A 9 108.934 0.733 -12.382 1.00 0.00 C ATOM 92 OH TYR A 9 108.042 0.246 -13.316 1.00 0.00 O ATOM 0 H TYR A 9 111.541 -0.520 -9.085 1.00 0.00 H new ATOM 0 HA TYR A 9 112.223 1.884 -7.378 1.00 0.00 H new ATOM 0 HB2 TYR A 9 111.491 3.293 -9.237 1.00 0.00 H new ATOM 0 HB3 TYR A 9 112.732 2.230 -9.872 1.00 0.00 H new ATOM 0 HD1 TYR A 9 112.107 0.240 -11.255 1.00 0.00 H new ATOM 0 HD2 TYR A 9 109.172 3.087 -9.937 1.00 0.00 H new ATOM 0 HE1 TYR A 9 110.503 -0.635 -12.932 1.00 0.00 H new ATOM 0 HE2 TYR A 9 107.570 2.214 -11.615 1.00 0.00 H new ATOM 0 HH TYR A 9 107.199 0.742 -13.253 1.00 0.00 H new ATOM 101 N ALA A 10 109.696 2.224 -6.953 1.00 0.00 N ATOM 102 CA ALA A 10 108.301 2.064 -6.441 1.00 0.00 C ATOM 103 C ALA A 10 107.551 3.396 -6.385 1.00 0.00 C ATOM 104 O ALA A 10 108.135 4.448 -6.225 1.00 0.00 O ATOM 105 CB ALA A 10 108.472 1.499 -5.034 1.00 0.00 C ATOM 0 H ALA A 10 110.165 3.095 -6.703 1.00 0.00 H new ATOM 0 HA ALA A 10 107.712 1.420 -7.094 1.00 0.00 H new ATOM 0 HB1 ALA A 10 107.492 1.349 -4.580 1.00 0.00 H new ATOM 0 HB2 ALA A 10 108.997 0.545 -5.086 1.00 0.00 H new ATOM 0 HB3 ALA A 10 109.049 2.198 -4.429 1.00 0.00 H new ATOM 111 N GLN A 11 106.248 3.335 -6.476 1.00 0.00 N ATOM 112 CA GLN A 11 105.420 4.572 -6.388 1.00 0.00 C ATOM 113 C GLN A 11 104.610 4.506 -5.091 1.00 0.00 C ATOM 114 O GLN A 11 104.111 3.457 -4.727 1.00 0.00 O ATOM 115 CB GLN A 11 104.507 4.550 -7.621 1.00 0.00 C ATOM 116 CG GLN A 11 103.589 3.323 -7.581 1.00 0.00 C ATOM 117 CD GLN A 11 102.643 3.356 -8.782 1.00 0.00 C ATOM 118 OE1 GLN A 11 101.605 3.987 -8.736 1.00 0.00 O ATOM 119 NE2 GLN A 11 102.958 2.698 -9.863 1.00 0.00 N ATOM 0 H GLN A 11 105.719 2.473 -6.609 1.00 0.00 H new ATOM 0 HA GLN A 11 106.008 5.489 -6.372 1.00 0.00 H new ATOM 0 HB2 GLN A 11 103.908 5.460 -7.655 1.00 0.00 H new ATOM 0 HB3 GLN A 11 105.110 4.532 -8.529 1.00 0.00 H new ATOM 0 HG2 GLN A 11 104.184 2.410 -7.598 1.00 0.00 H new ATOM 0 HG3 GLN A 11 103.017 3.314 -6.653 1.00 0.00 H new ATOM 0 HE21 GLN A 11 103.829 2.168 -9.902 1.00 0.00 H new ATOM 0 HE22 GLN A 11 102.334 2.713 -10.669 1.00 0.00 H new ATOM 126 N SER A 12 104.502 5.589 -4.368 1.00 0.00 N ATOM 127 CA SER A 12 103.755 5.533 -3.078 1.00 0.00 C ATOM 128 C SER A 12 102.576 6.506 -3.038 1.00 0.00 C ATOM 129 O SER A 12 102.629 7.604 -3.556 1.00 0.00 O ATOM 130 CB SER A 12 104.787 5.918 -2.019 1.00 0.00 C ATOM 131 OG SER A 12 105.896 5.034 -2.098 1.00 0.00 O ATOM 0 H SER A 12 104.893 6.499 -4.611 1.00 0.00 H new ATOM 0 HA SER A 12 103.322 4.545 -2.923 1.00 0.00 H new ATOM 0 HB2 SER A 12 105.116 6.946 -2.172 1.00 0.00 H new ATOM 0 HB3 SER A 12 104.340 5.871 -1.026 1.00 0.00 H new ATOM 0 HG SER A 12 105.774 4.422 -2.854 1.00 0.00 H new ATOM 136 N ASP A 13 101.525 6.101 -2.376 1.00 0.00 N ATOM 137 CA ASP A 13 100.324 6.967 -2.218 1.00 0.00 C ATOM 138 C ASP A 13 99.965 6.974 -0.732 1.00 0.00 C ATOM 139 O ASP A 13 100.067 5.959 -0.074 1.00 0.00 O ATOM 140 CB ASP A 13 99.223 6.305 -3.054 1.00 0.00 C ATOM 141 CG ASP A 13 98.990 4.871 -2.571 1.00 0.00 C ATOM 142 OD1 ASP A 13 98.323 4.707 -1.562 1.00 0.00 O ATOM 143 OD2 ASP A 13 99.482 3.961 -3.218 1.00 0.00 O ATOM 0 H ASP A 13 101.449 5.187 -1.930 1.00 0.00 H new ATOM 0 HA ASP A 13 100.474 7.996 -2.545 1.00 0.00 H new ATOM 0 HB2 ASP A 13 98.300 6.879 -2.974 1.00 0.00 H new ATOM 0 HB3 ASP A 13 99.506 6.302 -4.106 1.00 0.00 H new ATOM 147 N ALA A 14 99.587 8.094 -0.178 1.00 0.00 N ATOM 148 CA ALA A 14 99.286 8.109 1.269 1.00 0.00 C ATOM 149 C ALA A 14 98.163 9.072 1.609 1.00 0.00 C ATOM 150 O ALA A 14 97.994 10.112 1.004 1.00 0.00 O ATOM 151 CB ALA A 14 100.581 8.578 1.918 1.00 0.00 C ATOM 0 H ALA A 14 99.477 8.985 -0.663 1.00 0.00 H new ATOM 0 HA ALA A 14 98.956 7.129 1.614 1.00 0.00 H new ATOM 0 HB1 ALA A 14 100.452 8.620 2.999 1.00 0.00 H new ATOM 0 HB2 ALA A 14 101.383 7.881 1.675 1.00 0.00 H new ATOM 0 HB3 ALA A 14 100.837 9.569 1.544 1.00 0.00 H new ATOM 157 N GLN A 15 97.426 8.725 2.613 1.00 0.00 N ATOM 158 CA GLN A 15 96.318 9.595 3.081 1.00 0.00 C ATOM 159 C GLN A 15 96.913 10.726 3.920 1.00 0.00 C ATOM 160 O GLN A 15 97.643 10.492 4.874 1.00 0.00 O ATOM 161 CB GLN A 15 95.430 8.692 3.939 1.00 0.00 C ATOM 162 CG GLN A 15 94.807 7.606 3.060 1.00 0.00 C ATOM 163 CD GLN A 15 93.963 6.665 3.923 1.00 0.00 C ATOM 164 OE1 GLN A 15 94.117 6.619 5.128 1.00 0.00 O ATOM 165 NE2 GLN A 15 93.067 5.905 3.352 1.00 0.00 N ATOM 0 H GLN A 15 97.543 7.861 3.141 1.00 0.00 H new ATOM 0 HA GLN A 15 95.749 10.043 2.266 1.00 0.00 H new ATOM 0 HB2 GLN A 15 96.018 8.237 4.736 1.00 0.00 H new ATOM 0 HB3 GLN A 15 94.648 9.281 4.417 1.00 0.00 H new ATOM 0 HG2 GLN A 15 94.187 8.061 2.288 1.00 0.00 H new ATOM 0 HG3 GLN A 15 95.589 7.044 2.550 1.00 0.00 H new ATOM 0 HE21 GLN A 15 92.936 5.942 2.341 1.00 0.00 H new ATOM 0 HE22 GLN A 15 92.498 5.275 3.917 1.00 0.00 H new ATOM 172 N GLY A 16 96.641 11.945 3.539 1.00 0.00 N ATOM 173 CA GLY A 16 97.212 13.115 4.264 1.00 0.00 C ATOM 174 C GLY A 16 98.303 13.748 3.393 1.00 0.00 C ATOM 175 O GLY A 16 98.603 14.921 3.510 1.00 0.00 O ATOM 0 H GLY A 16 96.042 12.182 2.748 1.00 0.00 H new ATOM 0 HA2 GLY A 16 96.431 13.844 4.480 1.00 0.00 H new ATOM 0 HA3 GLY A 16 97.628 12.800 5.221 1.00 0.00 H new ATOM 178 N GLN A 17 98.883 12.981 2.500 1.00 0.00 N ATOM 179 CA GLN A 17 99.936 13.532 1.597 1.00 0.00 C ATOM 180 C GLN A 17 99.416 13.549 0.156 1.00 0.00 C ATOM 181 O GLN A 17 98.734 12.639 -0.274 1.00 0.00 O ATOM 182 CB GLN A 17 101.122 12.577 1.725 1.00 0.00 C ATOM 183 CG GLN A 17 101.620 12.565 3.172 1.00 0.00 C ATOM 184 CD GLN A 17 102.905 11.741 3.260 1.00 0.00 C ATOM 185 OE1 GLN A 17 102.839 10.481 3.590 1.00 0.00 O flip ATOM 186 NE2 GLN A 17 103.983 12.249 3.024 1.00 0.00 N flip ATOM 0 H GLN A 17 98.669 11.994 2.360 1.00 0.00 H new ATOM 0 HA GLN A 17 100.215 14.553 1.858 1.00 0.00 H new ATOM 0 HB2 GLN A 17 100.826 11.572 1.424 1.00 0.00 H new ATOM 0 HB3 GLN A 17 101.925 12.887 1.056 1.00 0.00 H new ATOM 0 HG2 GLN A 17 101.804 13.584 3.513 1.00 0.00 H new ATOM 0 HG3 GLN A 17 100.858 12.142 3.827 1.00 0.00 H new ATOM 0 HE21 GLN A 17 104.037 13.234 2.766 1.00 0.00 H new ATOM 0 HE22 GLN A 17 104.834 11.690 3.084 1.00 0.00 H new ATOM 193 N MET A 18 99.728 14.575 -0.591 1.00 0.00 N ATOM 194 CA MET A 18 99.246 14.647 -2.004 1.00 0.00 C ATOM 195 C MET A 18 100.338 14.176 -2.970 1.00 0.00 C ATOM 196 O MET A 18 100.207 13.163 -3.629 1.00 0.00 O ATOM 197 CB MET A 18 98.928 16.124 -2.236 1.00 0.00 C ATOM 198 CG MET A 18 97.755 16.541 -1.347 1.00 0.00 C ATOM 199 SD MET A 18 97.261 18.234 -1.754 1.00 0.00 S ATOM 200 CE MET A 18 98.840 19.030 -1.375 1.00 0.00 C ATOM 0 H MET A 18 100.295 15.366 -0.285 1.00 0.00 H new ATOM 0 HA MET A 18 98.380 14.008 -2.175 1.00 0.00 H new ATOM 0 HB2 MET A 18 99.803 16.735 -2.012 1.00 0.00 H new ATOM 0 HB3 MET A 18 98.681 16.293 -3.284 1.00 0.00 H new ATOM 0 HG2 MET A 18 96.915 15.861 -1.492 1.00 0.00 H new ATOM 0 HG3 MET A 18 98.040 16.476 -0.297 1.00 0.00 H new ATOM 0 HE1 MET A 18 98.665 20.067 -1.090 1.00 0.00 H new ATOM 0 HE2 MET A 18 99.324 18.504 -0.552 1.00 0.00 H new ATOM 0 HE3 MET A 18 99.484 18.999 -2.254 1.00 0.00 H new ATOM 208 N ASN A 19 101.406 14.923 -3.070 1.00 0.00 N ATOM 209 CA ASN A 19 102.517 14.556 -4.006 1.00 0.00 C ATOM 210 C ASN A 19 102.942 13.086 -3.851 1.00 0.00 C ATOM 211 O ASN A 19 103.322 12.644 -2.785 1.00 0.00 O ATOM 212 CB ASN A 19 103.670 15.491 -3.627 1.00 0.00 C ATOM 213 CG ASN A 19 104.081 15.254 -2.167 1.00 0.00 C ATOM 214 OD1 ASN A 19 103.341 14.671 -1.399 1.00 0.00 O ATOM 215 ND2 ASN A 19 105.237 15.692 -1.747 1.00 0.00 N ATOM 0 H ASN A 19 101.560 15.780 -2.539 1.00 0.00 H new ATOM 0 HA ASN A 19 102.210 14.664 -5.046 1.00 0.00 H new ATOM 0 HB2 ASN A 19 104.521 15.318 -4.286 1.00 0.00 H new ATOM 0 HB3 ASN A 19 103.367 16.529 -3.764 1.00 0.00 H new ATOM 0 HD21 ASN A 19 105.517 15.544 -0.777 1.00 0.00 H new ATOM 0 HD22 ASN A 19 105.861 16.182 -2.389 1.00 0.00 H new ATOM 221 N LYS A 20 102.885 12.335 -4.923 1.00 0.00 N ATOM 222 CA LYS A 20 103.292 10.898 -4.864 1.00 0.00 C ATOM 223 C LYS A 20 104.822 10.789 -4.821 1.00 0.00 C ATOM 224 O LYS A 20 105.523 11.743 -5.098 1.00 0.00 O ATOM 225 CB LYS A 20 102.723 10.264 -6.142 1.00 0.00 C ATOM 226 CG LYS A 20 103.423 10.841 -7.379 1.00 0.00 C ATOM 227 CD LYS A 20 102.758 10.291 -8.642 1.00 0.00 C ATOM 228 CE LYS A 20 103.622 10.619 -9.862 1.00 0.00 C ATOM 229 NZ LYS A 20 103.313 12.041 -10.180 1.00 0.00 N ATOM 0 H LYS A 20 102.573 12.657 -5.839 1.00 0.00 H new ATOM 0 HA LYS A 20 102.918 10.394 -3.973 1.00 0.00 H new ATOM 0 HB2 LYS A 20 102.857 9.183 -6.111 1.00 0.00 H new ATOM 0 HB3 LYS A 20 101.651 10.450 -6.202 1.00 0.00 H new ATOM 0 HG2 LYS A 20 103.365 11.929 -7.369 1.00 0.00 H new ATOM 0 HG3 LYS A 20 104.481 10.578 -7.368 1.00 0.00 H new ATOM 0 HD2 LYS A 20 102.627 9.212 -8.556 1.00 0.00 H new ATOM 0 HD3 LYS A 20 101.765 10.724 -8.760 1.00 0.00 H new ATOM 0 HE2 LYS A 20 104.681 10.484 -9.643 1.00 0.00 H new ATOM 0 HE3 LYS A 20 103.384 9.966 -10.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 103.802 12.315 -11.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 102.287 12.153 -10.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 103.634 12.649 -9.400 1.00 0.00 H new ATOM 239 N MET A 21 105.344 9.644 -4.458 1.00 0.00 N ATOM 240 CA MET A 21 106.830 9.498 -4.382 1.00 0.00 C ATOM 241 C MET A 21 107.336 8.384 -5.309 1.00 0.00 C ATOM 242 O MET A 21 106.675 7.388 -5.525 1.00 0.00 O ATOM 243 CB MET A 21 107.108 9.147 -2.922 1.00 0.00 C ATOM 244 CG MET A 21 106.674 10.311 -2.029 1.00 0.00 C ATOM 245 SD MET A 21 107.166 9.981 -0.321 1.00 0.00 S ATOM 246 CE MET A 21 106.242 8.440 -0.113 1.00 0.00 C ATOM 0 H MET A 21 104.810 8.810 -4.213 1.00 0.00 H new ATOM 0 HA MET A 21 107.341 10.407 -4.701 1.00 0.00 H new ATOM 0 HB2 MET A 21 106.569 8.241 -2.645 1.00 0.00 H new ATOM 0 HB3 MET A 21 108.169 8.942 -2.781 1.00 0.00 H new ATOM 0 HG2 MET A 21 107.129 11.238 -2.376 1.00 0.00 H new ATOM 0 HG3 MET A 21 105.594 10.444 -2.088 1.00 0.00 H new ATOM 0 HE1 MET A 21 106.059 8.266 0.947 1.00 0.00 H new ATOM 0 HE2 MET A 21 105.290 8.513 -0.638 1.00 0.00 H new ATOM 0 HE3 MET A 21 106.820 7.611 -0.523 1.00 0.00 H new ATOM 254 N GLY A 22 108.514 8.561 -5.851 1.00 0.00 N ATOM 255 CA GLY A 22 109.094 7.527 -6.767 1.00 0.00 C ATOM 256 C GLY A 22 110.604 7.429 -6.539 1.00 0.00 C ATOM 257 O GLY A 22 111.307 8.419 -6.608 1.00 0.00 O ATOM 0 H GLY A 22 109.103 9.380 -5.699 1.00 0.00 H new ATOM 0 HA2 GLY A 22 108.625 6.560 -6.584 1.00 0.00 H new ATOM 0 HA3 GLY A 22 108.889 7.790 -7.805 1.00 0.00 H new ATOM 260 N GLY A 23 111.113 6.252 -6.246 1.00 0.00 N ATOM 261 CA GLY A 23 112.581 6.137 -5.994 1.00 0.00 C ATOM 262 C GLY A 23 113.089 4.748 -6.365 1.00 0.00 C ATOM 263 O GLY A 23 112.468 4.027 -7.119 1.00 0.00 O ATOM 0 H GLY A 23 110.583 5.383 -6.172 1.00 0.00 H new ATOM 0 HA2 GLY A 23 113.114 6.890 -6.574 1.00 0.00 H new ATOM 0 HA3 GLY A 23 112.791 6.337 -4.943 1.00 0.00 H new ATOM 266 N PHE A 24 114.229 4.375 -5.837 1.00 0.00 N ATOM 267 CA PHE A 24 114.803 3.036 -6.150 1.00 0.00 C ATOM 268 C PHE A 24 114.989 2.231 -4.863 1.00 0.00 C ATOM 269 O PHE A 24 115.130 2.785 -3.789 1.00 0.00 O ATOM 270 CB PHE A 24 116.155 3.326 -6.803 1.00 0.00 C ATOM 271 CG PHE A 24 115.939 4.083 -8.092 1.00 0.00 C ATOM 272 CD1 PHE A 24 115.667 3.386 -9.276 1.00 0.00 C ATOM 273 CD2 PHE A 24 116.008 5.481 -8.103 1.00 0.00 C ATOM 274 CE1 PHE A 24 115.465 4.088 -10.471 1.00 0.00 C ATOM 275 CE2 PHE A 24 115.806 6.183 -9.298 1.00 0.00 C ATOM 276 CZ PHE A 24 115.535 5.486 -10.481 1.00 0.00 C ATOM 0 H PHE A 24 114.786 4.945 -5.201 1.00 0.00 H new ATOM 0 HA PHE A 24 114.155 2.450 -6.802 1.00 0.00 H new ATOM 0 HB2 PHE A 24 116.780 3.909 -6.127 1.00 0.00 H new ATOM 0 HB3 PHE A 24 116.683 2.393 -7.001 1.00 0.00 H new ATOM 0 HD1 PHE A 24 115.613 2.307 -9.268 1.00 0.00 H new ATOM 0 HD2 PHE A 24 116.217 6.018 -7.190 1.00 0.00 H new ATOM 0 HE1 PHE A 24 115.255 3.551 -11.384 1.00 0.00 H new ATOM 0 HE2 PHE A 24 115.859 7.262 -9.307 1.00 0.00 H new ATOM 0 HZ PHE A 24 115.380 6.027 -11.403 1.00 0.00 H new ATOM 285 N ASN A 25 114.986 0.927 -4.963 1.00 0.00 N ATOM 286 CA ASN A 25 115.157 0.087 -3.741 1.00 0.00 C ATOM 287 C ASN A 25 116.155 -1.049 -3.976 1.00 0.00 C ATOM 288 O ASN A 25 116.055 -1.789 -4.931 1.00 0.00 O ATOM 289 CB ASN A 25 113.768 -0.482 -3.453 1.00 0.00 C ATOM 290 CG ASN A 25 113.782 -1.187 -2.096 1.00 0.00 C ATOM 291 OD1 ASN A 25 114.193 -0.614 -1.105 1.00 0.00 O ATOM 292 ND2 ASN A 25 113.350 -2.415 -2.005 1.00 0.00 N ATOM 0 H ASN A 25 114.873 0.409 -5.835 1.00 0.00 H new ATOM 0 HA ASN A 25 115.551 0.672 -2.910 1.00 0.00 H new ATOM 0 HB2 ASN A 25 113.028 0.318 -3.452 1.00 0.00 H new ATOM 0 HB3 ASN A 25 113.480 -1.183 -4.237 1.00 0.00 H new ATOM 0 HD21 ASN A 25 113.357 -2.893 -1.104 1.00 0.00 H new ATOM 0 HD22 ASN A 25 113.005 -2.897 -2.835 1.00 0.00 H new ATOM 298 N LEU A 26 117.096 -1.203 -3.083 1.00 0.00 N ATOM 299 CA LEU A 26 118.094 -2.306 -3.207 1.00 0.00 C ATOM 300 C LEU A 26 117.832 -3.295 -2.075 1.00 0.00 C ATOM 301 O LEU A 26 117.273 -2.923 -1.061 1.00 0.00 O ATOM 302 CB LEU A 26 119.467 -1.642 -3.049 1.00 0.00 C ATOM 303 CG LEU A 26 119.648 -0.553 -4.113 1.00 0.00 C ATOM 304 CD1 LEU A 26 121.012 0.114 -3.932 1.00 0.00 C ATOM 305 CD2 LEU A 26 119.576 -1.181 -5.509 1.00 0.00 C ATOM 0 H LEU A 26 117.217 -0.606 -2.265 1.00 0.00 H new ATOM 0 HA LEU A 26 118.038 -2.841 -4.155 1.00 0.00 H new ATOM 0 HB2 LEU A 26 119.558 -1.208 -2.053 1.00 0.00 H new ATOM 0 HB3 LEU A 26 120.255 -2.389 -3.144 1.00 0.00 H new ATOM 0 HG LEU A 26 118.858 0.190 -4.006 1.00 0.00 H new ATOM 0 HD11 LEU A 26 121.142 0.888 -4.688 1.00 0.00 H new ATOM 0 HD12 LEU A 26 121.069 0.562 -2.940 1.00 0.00 H new ATOM 0 HD13 LEU A 26 121.799 -0.632 -4.039 1.00 0.00 H new ATOM 0 HD21 LEU A 26 119.705 -0.405 -6.264 1.00 0.00 H new ATOM 0 HD22 LEU A 26 120.366 -1.925 -5.615 1.00 0.00 H new ATOM 0 HD23 LEU A 26 118.606 -1.660 -5.643 1.00 0.00 H new ATOM 316 N LYS A 27 118.201 -4.544 -2.214 1.00 0.00 N ATOM 317 CA LYS A 27 117.930 -5.516 -1.116 1.00 0.00 C ATOM 318 C LYS A 27 119.018 -6.594 -1.083 1.00 0.00 C ATOM 319 O LYS A 27 119.359 -7.173 -2.097 1.00 0.00 O ATOM 320 CB LYS A 27 116.576 -6.127 -1.480 1.00 0.00 C ATOM 321 CG LYS A 27 116.149 -7.125 -0.405 1.00 0.00 C ATOM 322 CD LYS A 27 114.744 -7.640 -0.727 1.00 0.00 C ATOM 323 CE LYS A 27 114.799 -8.532 -1.970 1.00 0.00 C ATOM 324 NZ LYS A 27 113.903 -9.681 -1.659 1.00 0.00 N ATOM 0 H LYS A 27 118.673 -4.928 -3.032 1.00 0.00 H new ATOM 0 HA LYS A 27 117.923 -5.049 -0.131 1.00 0.00 H new ATOM 0 HB2 LYS A 27 115.827 -5.341 -1.577 1.00 0.00 H new ATOM 0 HB3 LYS A 27 116.641 -6.626 -2.447 1.00 0.00 H new ATOM 0 HG2 LYS A 27 116.853 -7.956 -0.363 1.00 0.00 H new ATOM 0 HG3 LYS A 27 116.159 -6.649 0.575 1.00 0.00 H new ATOM 0 HD2 LYS A 27 114.348 -8.202 0.119 1.00 0.00 H new ATOM 0 HD3 LYS A 27 114.068 -6.802 -0.897 1.00 0.00 H new ATOM 0 HE2 LYS A 27 114.460 -7.996 -2.856 1.00 0.00 H new ATOM 0 HE3 LYS A 27 115.816 -8.868 -2.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 113.941 -10.371 -2.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 114.215 -10.135 -0.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 112.927 -9.340 -1.546 1.00 0.00 H new ATOM 334 N TYR A 28 119.548 -6.882 0.074 1.00 0.00 N ATOM 335 CA TYR A 28 120.597 -7.939 0.187 1.00 0.00 C ATOM 336 C TYR A 28 120.258 -8.840 1.374 1.00 0.00 C ATOM 337 O TYR A 28 119.864 -8.359 2.418 1.00 0.00 O ATOM 338 CB TYR A 28 121.902 -7.182 0.435 1.00 0.00 C ATOM 339 CG TYR A 28 123.054 -8.157 0.465 1.00 0.00 C ATOM 340 CD1 TYR A 28 123.674 -8.547 -0.729 1.00 0.00 C ATOM 341 CD2 TYR A 28 123.503 -8.673 1.688 1.00 0.00 C ATOM 342 CE1 TYR A 28 124.743 -9.450 -0.700 1.00 0.00 C ATOM 343 CE2 TYR A 28 124.572 -9.576 1.716 1.00 0.00 C ATOM 344 CZ TYR A 28 125.191 -9.965 0.523 1.00 0.00 C ATOM 345 OH TYR A 28 126.245 -10.854 0.552 1.00 0.00 O ATOM 0 H TYR A 28 119.299 -6.428 0.953 1.00 0.00 H new ATOM 0 HA TYR A 28 120.670 -8.569 -0.700 1.00 0.00 H new ATOM 0 HB2 TYR A 28 122.059 -6.441 -0.349 1.00 0.00 H new ATOM 0 HB3 TYR A 28 121.846 -6.640 1.379 1.00 0.00 H new ATOM 0 HD1 TYR A 28 123.327 -8.151 -1.672 1.00 0.00 H new ATOM 0 HD2 TYR A 28 123.024 -8.374 2.609 1.00 0.00 H new ATOM 0 HE1 TYR A 28 125.222 -9.750 -1.620 1.00 0.00 H new ATOM 0 HE2 TYR A 28 124.919 -9.973 2.659 1.00 0.00 H new ATOM 0 HH TYR A 28 126.430 -11.112 1.479 1.00 0.00 H new ATOM 354 N ARG A 29 120.382 -10.136 1.232 1.00 0.00 N ATOM 355 CA ARG A 29 120.030 -11.023 2.382 1.00 0.00 C ATOM 356 C ARG A 29 120.965 -12.231 2.501 1.00 0.00 C ATOM 357 O ARG A 29 121.493 -12.736 1.527 1.00 0.00 O ATOM 358 CB ARG A 29 118.596 -11.483 2.101 1.00 0.00 C ATOM 359 CG ARG A 29 118.559 -12.390 0.868 1.00 0.00 C ATOM 360 CD ARG A 29 117.103 -12.696 0.505 1.00 0.00 C ATOM 361 NE ARG A 29 117.173 -13.754 -0.542 1.00 0.00 N ATOM 362 CZ ARG A 29 116.078 -14.322 -0.967 1.00 0.00 C ATOM 363 NH1 ARG A 29 115.441 -15.165 -0.199 1.00 0.00 N ATOM 364 NH2 ARG A 29 115.620 -14.049 -2.158 1.00 0.00 N ATOM 0 H ARG A 29 120.705 -10.610 0.389 1.00 0.00 H new ATOM 0 HA ARG A 29 120.127 -10.488 3.327 1.00 0.00 H new ATOM 0 HB2 ARG A 29 118.203 -12.018 2.966 1.00 0.00 H new ATOM 0 HB3 ARG A 29 117.954 -10.617 1.943 1.00 0.00 H new ATOM 0 HG2 ARG A 29 119.060 -11.904 0.030 1.00 0.00 H new ATOM 0 HG3 ARG A 29 119.098 -13.316 1.068 1.00 0.00 H new ATOM 0 HD2 ARG A 29 116.545 -13.040 1.375 1.00 0.00 H new ATOM 0 HD3 ARG A 29 116.595 -11.806 0.132 1.00 0.00 H new ATOM 0 HE ARG A 29 118.076 -14.034 -0.926 1.00 0.00 H new ATOM 0 HH11 ARG A 29 115.800 -15.378 0.732 1.00 0.00 H new ATOM 0 HH12 ARG A 29 114.585 -15.610 -0.530 1.00 0.00 H new ATOM 0 HH21 ARG A 29 116.118 -13.391 -2.758 1.00 0.00 H new ATOM 0 HH22 ARG A 29 114.764 -14.494 -2.489 1.00 0.00 H new ATOM 375 N TYR A 30 121.138 -12.699 3.709 1.00 0.00 N ATOM 376 CA TYR A 30 122.002 -13.886 3.959 1.00 0.00 C ATOM 377 C TYR A 30 121.142 -15.017 4.531 1.00 0.00 C ATOM 378 O TYR A 30 120.290 -14.791 5.369 1.00 0.00 O ATOM 379 CB TYR A 30 123.037 -13.422 4.986 1.00 0.00 C ATOM 380 CG TYR A 30 124.039 -14.525 5.226 1.00 0.00 C ATOM 381 CD1 TYR A 30 125.146 -14.662 4.379 1.00 0.00 C ATOM 382 CD2 TYR A 30 123.862 -15.412 6.295 1.00 0.00 C ATOM 383 CE1 TYR A 30 126.075 -15.685 4.602 1.00 0.00 C ATOM 384 CE2 TYR A 30 124.792 -16.436 6.518 1.00 0.00 C ATOM 385 CZ TYR A 30 125.898 -16.571 5.671 1.00 0.00 C ATOM 386 OH TYR A 30 126.815 -17.580 5.890 1.00 0.00 O ATOM 0 H TYR A 30 120.710 -12.301 4.545 1.00 0.00 H new ATOM 0 HA TYR A 30 122.482 -14.259 3.054 1.00 0.00 H new ATOM 0 HB2 TYR A 30 123.545 -12.527 4.627 1.00 0.00 H new ATOM 0 HB3 TYR A 30 122.543 -13.155 5.920 1.00 0.00 H new ATOM 0 HD1 TYR A 30 125.283 -13.979 3.554 1.00 0.00 H new ATOM 0 HD2 TYR A 30 123.008 -15.307 6.948 1.00 0.00 H new ATOM 0 HE1 TYR A 30 126.929 -15.791 3.949 1.00 0.00 H new ATOM 0 HE2 TYR A 30 124.656 -17.120 7.342 1.00 0.00 H new ATOM 0 HH TYR A 30 126.544 -18.104 6.673 1.00 0.00 H new ATOM 395 N GLU A 31 121.352 -16.228 4.086 1.00 0.00 N ATOM 396 CA GLU A 31 120.540 -17.369 4.606 1.00 0.00 C ATOM 397 C GLU A 31 121.435 -18.592 4.813 1.00 0.00 C ATOM 398 O GLU A 31 122.372 -18.811 4.070 1.00 0.00 O ATOM 399 CB GLU A 31 119.504 -17.639 3.513 1.00 0.00 C ATOM 400 CG GLU A 31 118.513 -18.704 3.996 1.00 0.00 C ATOM 401 CD GLU A 31 117.532 -19.055 2.868 1.00 0.00 C ATOM 402 OE1 GLU A 31 117.662 -18.496 1.790 1.00 0.00 O ATOM 403 OE2 GLU A 31 116.667 -19.882 3.104 1.00 0.00 O ATOM 0 H GLU A 31 122.050 -16.477 3.385 1.00 0.00 H new ATOM 0 HA GLU A 31 120.073 -17.149 5.566 1.00 0.00 H new ATOM 0 HB2 GLU A 31 118.973 -16.720 3.266 1.00 0.00 H new ATOM 0 HB3 GLU A 31 120.000 -17.976 2.603 1.00 0.00 H new ATOM 0 HG2 GLU A 31 119.051 -19.597 4.313 1.00 0.00 H new ATOM 0 HG3 GLU A 31 117.966 -18.337 4.864 1.00 0.00 H new ATOM 408 N GLU A 32 121.159 -19.394 5.813 1.00 0.00 N ATOM 409 CA GLU A 32 122.003 -20.597 6.051 1.00 0.00 C ATOM 410 C GLU A 32 121.320 -21.832 5.454 1.00 0.00 C ATOM 411 O GLU A 32 120.142 -22.060 5.653 1.00 0.00 O ATOM 412 CB GLU A 32 122.103 -20.708 7.574 1.00 0.00 C ATOM 413 CG GLU A 32 123.174 -21.738 7.950 1.00 0.00 C ATOM 414 CD GLU A 32 123.229 -21.904 9.474 1.00 0.00 C ATOM 415 OE1 GLU A 32 122.398 -21.322 10.153 1.00 0.00 O ATOM 416 OE2 GLU A 32 124.104 -22.617 9.936 1.00 0.00 O ATOM 0 H GLU A 32 120.389 -19.265 6.469 1.00 0.00 H new ATOM 0 HA GLU A 32 122.987 -20.524 5.588 1.00 0.00 H new ATOM 0 HB2 GLU A 32 122.352 -19.737 8.003 1.00 0.00 H new ATOM 0 HB3 GLU A 32 121.140 -21.003 7.990 1.00 0.00 H new ATOM 0 HG2 GLU A 32 122.951 -22.695 7.479 1.00 0.00 H new ATOM 0 HG3 GLU A 32 124.146 -21.418 7.575 1.00 0.00 H new ATOM 455 N PRO A 36 115.478 -22.402 6.359 1.00 0.00 N ATOM 456 CA PRO A 36 114.988 -21.298 5.502 1.00 0.00 C ATOM 457 C PRO A 36 114.673 -20.047 6.336 1.00 0.00 C ATOM 458 O PRO A 36 113.755 -19.309 6.031 1.00 0.00 O ATOM 459 CB PRO A 36 113.710 -21.871 4.899 1.00 0.00 C ATOM 460 CG PRO A 36 113.233 -22.917 5.866 1.00 0.00 C ATOM 461 CD PRO A 36 114.378 -23.271 6.788 1.00 0.00 C ATOM 0 HA PRO A 36 115.719 -20.983 4.757 1.00 0.00 H new ATOM 0 HB2 PRO A 36 112.959 -21.093 4.763 1.00 0.00 H new ATOM 0 HB3 PRO A 36 113.901 -22.304 3.917 1.00 0.00 H new ATOM 0 HG2 PRO A 36 112.385 -22.544 6.440 1.00 0.00 H new ATOM 0 HG3 PRO A 36 112.890 -23.802 5.329 1.00 0.00 H new ATOM 0 HD2 PRO A 36 114.116 -23.094 7.831 1.00 0.00 H new ATOM 0 HD3 PRO A 36 114.647 -24.324 6.701 1.00 0.00 H new ATOM 466 N LEU A 37 115.426 -19.799 7.377 1.00 0.00 N ATOM 467 CA LEU A 37 115.164 -18.591 8.218 1.00 0.00 C ATOM 468 C LEU A 37 116.266 -17.551 8.004 1.00 0.00 C ATOM 469 O LEU A 37 117.109 -17.343 8.856 1.00 0.00 O ATOM 470 CB LEU A 37 115.176 -19.097 9.664 1.00 0.00 C ATOM 471 CG LEU A 37 114.107 -20.180 9.851 1.00 0.00 C ATOM 472 CD1 LEU A 37 114.148 -20.694 11.295 1.00 0.00 C ATOM 473 CD2 LEU A 37 112.721 -19.592 9.560 1.00 0.00 C ATOM 0 H LEU A 37 116.209 -20.378 7.681 1.00 0.00 H new ATOM 0 HA LEU A 37 114.219 -18.111 7.965 1.00 0.00 H new ATOM 0 HB2 LEU A 37 116.159 -19.499 9.909 1.00 0.00 H new ATOM 0 HB3 LEU A 37 114.990 -18.270 10.349 1.00 0.00 H new ATOM 0 HG LEU A 37 114.303 -21.003 9.164 1.00 0.00 H new ATOM 0 HD11 LEU A 37 113.388 -21.464 11.429 1.00 0.00 H new ATOM 0 HD12 LEU A 37 115.132 -21.115 11.504 1.00 0.00 H new ATOM 0 HD13 LEU A 37 113.953 -19.869 11.980 1.00 0.00 H new ATOM 0 HD21 LEU A 37 111.963 -20.364 9.694 1.00 0.00 H new ATOM 0 HD22 LEU A 37 112.524 -18.768 10.245 1.00 0.00 H new ATOM 0 HD23 LEU A 37 112.689 -19.226 8.534 1.00 0.00 H new ATOM 484 N GLY A 38 116.267 -16.896 6.871 1.00 0.00 N ATOM 485 CA GLY A 38 117.316 -15.870 6.603 1.00 0.00 C ATOM 486 C GLY A 38 116.769 -14.474 6.913 1.00 0.00 C ATOM 487 O GLY A 38 115.634 -14.319 7.317 1.00 0.00 O ATOM 0 H GLY A 38 115.587 -17.028 6.122 1.00 0.00 H new ATOM 0 HA2 GLY A 38 118.197 -16.069 7.214 1.00 0.00 H new ATOM 0 HA3 GLY A 38 117.632 -15.923 5.561 1.00 0.00 H new ATOM 490 N VAL A 39 117.568 -13.460 6.708 1.00 0.00 N ATOM 491 CA VAL A 39 117.110 -12.062 6.968 1.00 0.00 C ATOM 492 C VAL A 39 117.431 -11.198 5.745 1.00 0.00 C ATOM 493 O VAL A 39 118.433 -11.406 5.088 1.00 0.00 O ATOM 494 CB VAL A 39 117.901 -11.601 8.197 1.00 0.00 C ATOM 495 CG1 VAL A 39 119.402 -11.630 7.892 1.00 0.00 C ATOM 496 CG2 VAL A 39 117.484 -10.174 8.561 1.00 0.00 C ATOM 0 H VAL A 39 118.527 -13.541 6.369 1.00 0.00 H new ATOM 0 HA VAL A 39 116.037 -11.988 7.145 1.00 0.00 H new ATOM 0 HB VAL A 39 117.692 -12.271 9.031 1.00 0.00 H new ATOM 0 HG11 VAL A 39 119.958 -11.301 8.770 1.00 0.00 H new ATOM 0 HG12 VAL A 39 119.701 -12.646 7.633 1.00 0.00 H new ATOM 0 HG13 VAL A 39 119.616 -10.964 7.056 1.00 0.00 H new ATOM 0 HG21 VAL A 39 118.045 -9.843 9.435 1.00 0.00 H new ATOM 0 HG22 VAL A 39 117.692 -9.509 7.723 1.00 0.00 H new ATOM 0 HG23 VAL A 39 116.417 -10.152 8.785 1.00 0.00 H new ATOM 506 N ILE A 40 116.593 -10.249 5.413 1.00 0.00 N ATOM 507 CA ILE A 40 116.864 -9.406 4.210 1.00 0.00 C ATOM 508 C ILE A 40 117.030 -7.934 4.601 1.00 0.00 C ATOM 509 O ILE A 40 116.361 -7.441 5.483 1.00 0.00 O ATOM 510 CB ILE A 40 115.626 -9.573 3.323 1.00 0.00 C ATOM 511 CG1 ILE A 40 115.376 -11.061 3.047 1.00 0.00 C ATOM 512 CG2 ILE A 40 115.847 -8.840 1.999 1.00 0.00 C ATOM 513 CD1 ILE A 40 114.070 -11.225 2.268 1.00 0.00 C ATOM 0 H ILE A 40 115.737 -10.022 5.920 1.00 0.00 H new ATOM 0 HA ILE A 40 117.784 -9.706 3.707 1.00 0.00 H new ATOM 0 HB ILE A 40 114.760 -9.154 3.835 1.00 0.00 H new ATOM 0 HG12 ILE A 40 116.206 -11.480 2.478 1.00 0.00 H new ATOM 0 HG13 ILE A 40 115.323 -11.612 3.986 1.00 0.00 H new ATOM 0 HG21 ILE A 40 114.967 -8.958 1.367 1.00 0.00 H new ATOM 0 HG22 ILE A 40 116.015 -7.781 2.193 1.00 0.00 H new ATOM 0 HG23 ILE A 40 116.717 -9.258 1.492 1.00 0.00 H new ATOM 0 HD11 ILE A 40 113.893 -12.283 2.072 1.00 0.00 H new ATOM 0 HD12 ILE A 40 113.244 -10.821 2.854 1.00 0.00 H new ATOM 0 HD13 ILE A 40 114.141 -10.688 1.322 1.00 0.00 H new ATOM 524 N GLY A 41 117.915 -7.229 3.942 1.00 0.00 N ATOM 525 CA GLY A 41 118.121 -5.782 4.261 1.00 0.00 C ATOM 526 C GLY A 41 117.928 -4.954 2.986 1.00 0.00 C ATOM 527 O GLY A 41 118.593 -5.176 1.992 1.00 0.00 O ATOM 0 H GLY A 41 118.506 -7.594 3.195 1.00 0.00 H new ATOM 0 HA2 GLY A 41 117.415 -5.462 5.027 1.00 0.00 H new ATOM 0 HA3 GLY A 41 119.122 -5.625 4.663 1.00 0.00 H new ATOM 530 N SER A 42 117.019 -4.008 2.997 1.00 0.00 N ATOM 531 CA SER A 42 116.788 -3.182 1.770 1.00 0.00 C ATOM 532 C SER A 42 116.570 -1.705 2.121 1.00 0.00 C ATOM 533 O SER A 42 115.975 -1.375 3.130 1.00 0.00 O ATOM 534 CB SER A 42 115.526 -3.764 1.138 1.00 0.00 C ATOM 535 OG SER A 42 114.403 -3.442 1.947 1.00 0.00 O ATOM 0 H SER A 42 116.431 -3.773 3.797 1.00 0.00 H new ATOM 0 HA SER A 42 117.648 -3.214 1.100 1.00 0.00 H new ATOM 0 HB2 SER A 42 115.391 -3.364 0.133 1.00 0.00 H new ATOM 0 HB3 SER A 42 115.620 -4.846 1.040 1.00 0.00 H new ATOM 0 HG SER A 42 114.598 -3.664 2.881 1.00 0.00 H new ATOM 540 N PHE A 43 117.038 -0.817 1.281 1.00 0.00 N ATOM 541 CA PHE A 43 116.855 0.644 1.538 1.00 0.00 C ATOM 542 C PHE A 43 116.082 1.286 0.380 1.00 0.00 C ATOM 543 O PHE A 43 116.195 0.863 -0.755 1.00 0.00 O ATOM 544 CB PHE A 43 118.271 1.216 1.623 1.00 0.00 C ATOM 545 CG PHE A 43 118.979 0.631 2.821 1.00 0.00 C ATOM 546 CD1 PHE A 43 118.829 1.224 4.081 1.00 0.00 C ATOM 547 CD2 PHE A 43 119.789 -0.503 2.674 1.00 0.00 C ATOM 548 CE1 PHE A 43 119.487 0.684 5.192 1.00 0.00 C ATOM 549 CE2 PHE A 43 120.446 -1.043 3.786 1.00 0.00 C ATOM 550 CZ PHE A 43 120.294 -0.449 5.045 1.00 0.00 C ATOM 0 H PHE A 43 117.542 -1.043 0.423 1.00 0.00 H new ATOM 0 HA PHE A 43 116.287 0.837 2.448 1.00 0.00 H new ATOM 0 HB2 PHE A 43 118.823 0.985 0.712 1.00 0.00 H new ATOM 0 HB3 PHE A 43 118.232 2.302 1.705 1.00 0.00 H new ATOM 0 HD1 PHE A 43 118.205 2.098 4.195 1.00 0.00 H new ATOM 0 HD2 PHE A 43 119.906 -0.960 1.703 1.00 0.00 H new ATOM 0 HE1 PHE A 43 119.372 1.142 6.163 1.00 0.00 H new ATOM 0 HE2 PHE A 43 121.070 -1.917 3.673 1.00 0.00 H new ATOM 0 HZ PHE A 43 120.800 -0.866 5.903 1.00 0.00 H new ATOM 559 N THR A 44 115.300 2.300 0.652 1.00 0.00 N ATOM 560 CA THR A 44 114.527 2.960 -0.443 1.00 0.00 C ATOM 561 C THR A 44 114.732 4.476 -0.401 1.00 0.00 C ATOM 562 O THR A 44 114.725 5.079 0.655 1.00 0.00 O ATOM 563 CB THR A 44 113.064 2.615 -0.157 1.00 0.00 C ATOM 564 OG1 THR A 44 112.925 1.209 -0.026 1.00 0.00 O ATOM 565 CG2 THR A 44 112.187 3.112 -1.307 1.00 0.00 C ATOM 0 H THR A 44 115.164 2.698 1.581 1.00 0.00 H new ATOM 0 HA THR A 44 114.845 2.623 -1.430 1.00 0.00 H new ATOM 0 HB THR A 44 112.752 3.097 0.770 1.00 0.00 H new ATOM 0 HG1 THR A 44 113.519 0.761 -0.664 1.00 0.00 H new ATOM 0 HG21 THR A 44 111.145 2.866 -1.103 1.00 0.00 H new ATOM 0 HG22 THR A 44 112.292 4.193 -1.404 1.00 0.00 H new ATOM 0 HG23 THR A 44 112.498 2.632 -2.235 1.00 0.00 H new ATOM 573 N TYR A 45 114.892 5.103 -1.540 1.00 0.00 N ATOM 574 CA TYR A 45 115.070 6.582 -1.560 1.00 0.00 C ATOM 575 C TYR A 45 114.240 7.166 -2.703 1.00 0.00 C ATOM 576 O TYR A 45 114.538 6.955 -3.862 1.00 0.00 O ATOM 577 CB TYR A 45 116.564 6.803 -1.804 1.00 0.00 C ATOM 578 CG TYR A 45 116.880 8.275 -1.699 1.00 0.00 C ATOM 579 CD1 TYR A 45 117.098 8.855 -0.443 1.00 0.00 C ATOM 580 CD2 TYR A 45 116.955 9.061 -2.855 1.00 0.00 C ATOM 581 CE1 TYR A 45 117.393 10.220 -0.344 1.00 0.00 C ATOM 582 CE2 TYR A 45 117.250 10.426 -2.755 1.00 0.00 C ATOM 583 CZ TYR A 45 117.468 11.006 -1.500 1.00 0.00 C ATOM 584 OH TYR A 45 117.757 12.352 -1.402 1.00 0.00 O ATOM 0 H TYR A 45 114.907 4.652 -2.455 1.00 0.00 H new ATOM 0 HA TYR A 45 114.746 7.063 -0.637 1.00 0.00 H new ATOM 0 HB2 TYR A 45 117.149 6.242 -1.075 1.00 0.00 H new ATOM 0 HB3 TYR A 45 116.841 6.430 -2.790 1.00 0.00 H new ATOM 0 HD1 TYR A 45 117.039 8.249 0.449 1.00 0.00 H new ATOM 0 HD2 TYR A 45 116.785 8.615 -3.824 1.00 0.00 H new ATOM 0 HE1 TYR A 45 117.563 10.667 0.625 1.00 0.00 H new ATOM 0 HE2 TYR A 45 117.309 11.032 -3.647 1.00 0.00 H new ATOM 0 HH TYR A 45 117.042 12.872 -1.826 1.00 0.00 H new ATOM 593 N THR A 46 113.198 7.887 -2.387 1.00 0.00 N ATOM 594 CA THR A 46 112.336 8.471 -3.464 1.00 0.00 C ATOM 595 C THR A 46 112.260 9.991 -3.322 1.00 0.00 C ATOM 596 O THR A 46 112.533 10.540 -2.271 1.00 0.00 O ATOM 597 CB THR A 46 110.943 7.850 -3.270 1.00 0.00 C ATOM 598 OG1 THR A 46 110.356 8.371 -2.086 1.00 0.00 O ATOM 599 CG2 THR A 46 111.039 6.321 -3.161 1.00 0.00 C ATOM 0 H THR A 46 112.904 8.098 -1.433 1.00 0.00 H new ATOM 0 HA THR A 46 112.738 8.259 -4.455 1.00 0.00 H new ATOM 0 HB THR A 46 110.327 8.100 -4.134 1.00 0.00 H new ATOM 0 HG1 THR A 46 110.385 7.692 -1.380 1.00 0.00 H new ATOM 0 HG21 THR A 46 110.042 5.903 -3.024 1.00 0.00 H new ATOM 0 HG22 THR A 46 111.479 5.918 -4.073 1.00 0.00 H new ATOM 0 HG23 THR A 46 111.664 6.056 -2.308 1.00 0.00 H new ATOM 607 N GLU A 47 111.892 10.675 -4.374 1.00 0.00 N ATOM 608 CA GLU A 47 111.798 12.163 -4.309 1.00 0.00 C ATOM 609 C GLU A 47 110.423 12.633 -4.793 1.00 0.00 C ATOM 610 O GLU A 47 109.675 11.887 -5.397 1.00 0.00 O ATOM 611 CB GLU A 47 112.897 12.671 -5.243 1.00 0.00 C ATOM 612 CG GLU A 47 114.267 12.247 -4.704 1.00 0.00 C ATOM 613 CD GLU A 47 114.519 12.908 -3.342 1.00 0.00 C ATOM 614 OE1 GLU A 47 113.849 13.882 -3.039 1.00 0.00 O ATOM 615 OE2 GLU A 47 115.382 12.427 -2.626 1.00 0.00 O ATOM 0 H GLU A 47 111.652 10.266 -5.277 1.00 0.00 H new ATOM 0 HA GLU A 47 111.920 12.538 -3.293 1.00 0.00 H new ATOM 0 HB2 GLU A 47 112.750 12.270 -6.246 1.00 0.00 H new ATOM 0 HB3 GLU A 47 112.847 13.757 -5.323 1.00 0.00 H new ATOM 0 HG2 GLU A 47 114.309 11.162 -4.605 1.00 0.00 H new ATOM 0 HG3 GLU A 47 115.049 12.533 -5.407 1.00 0.00 H new ATOM 620 N LYS A 48 110.093 13.871 -4.528 1.00 0.00 N ATOM 621 CA LYS A 48 108.774 14.416 -4.966 1.00 0.00 C ATOM 622 C LYS A 48 108.767 14.651 -6.479 1.00 0.00 C ATOM 623 O LYS A 48 109.778 14.981 -7.069 1.00 0.00 O ATOM 624 CB LYS A 48 108.628 15.744 -4.224 1.00 0.00 C ATOM 625 CG LYS A 48 107.255 16.348 -4.523 1.00 0.00 C ATOM 626 CD LYS A 48 107.136 17.707 -3.830 1.00 0.00 C ATOM 627 CE LYS A 48 105.716 18.250 -4.006 1.00 0.00 C ATOM 628 NZ LYS A 48 105.729 19.583 -3.341 1.00 0.00 N ATOM 0 H LYS A 48 110.685 14.531 -4.024 1.00 0.00 H new ATOM 0 HA LYS A 48 107.956 13.730 -4.748 1.00 0.00 H new ATOM 0 HB2 LYS A 48 108.742 15.588 -3.151 1.00 0.00 H new ATOM 0 HB3 LYS A 48 109.415 16.433 -4.532 1.00 0.00 H new ATOM 0 HG2 LYS A 48 107.123 16.463 -5.599 1.00 0.00 H new ATOM 0 HG3 LYS A 48 106.468 15.680 -4.175 1.00 0.00 H new ATOM 0 HD2 LYS A 48 107.369 17.608 -2.770 1.00 0.00 H new ATOM 0 HD3 LYS A 48 107.858 18.406 -4.251 1.00 0.00 H new ATOM 0 HE2 LYS A 48 105.455 18.337 -5.061 1.00 0.00 H new ATOM 0 HE3 LYS A 48 104.981 17.588 -3.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 104.788 20.019 -3.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 105.974 19.468 -2.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 106.434 20.194 -3.802 1.00 0.00 H new ATOM 794 N GLN A 61 112.965 14.779 0.825 1.00 0.00 N ATOM 795 CA GLN A 61 113.629 13.474 0.517 1.00 0.00 C ATOM 796 C GLN A 61 112.879 12.333 1.212 1.00 0.00 C ATOM 797 O GLN A 61 112.241 12.538 2.227 1.00 0.00 O ATOM 798 CB GLN A 61 115.045 13.609 1.076 1.00 0.00 C ATOM 799 CG GLN A 61 115.781 14.727 0.332 1.00 0.00 C ATOM 800 CD GLN A 61 117.178 14.910 0.928 1.00 0.00 C ATOM 801 OE1 GLN A 61 117.432 14.512 2.048 1.00 0.00 O ATOM 802 NE2 GLN A 61 118.101 15.502 0.221 1.00 0.00 N ATOM 0 HA GLN A 61 113.636 13.249 -0.550 1.00 0.00 H new ATOM 0 HB2 GLN A 61 115.007 13.830 2.143 1.00 0.00 H new ATOM 0 HB3 GLN A 61 115.583 12.668 0.965 1.00 0.00 H new ATOM 0 HG2 GLN A 61 115.856 14.484 -0.728 1.00 0.00 H new ATOM 0 HG3 GLN A 61 115.219 15.658 0.406 1.00 0.00 H new ATOM 0 HE21 GLN A 61 117.888 15.836 -0.719 1.00 0.00 H new ATOM 0 HE22 GLN A 61 119.036 15.631 0.608 1.00 0.00 H new ATOM 809 N TYR A 62 112.935 11.137 0.675 1.00 0.00 N ATOM 810 CA TYR A 62 112.206 10.007 1.322 1.00 0.00 C ATOM 811 C TYR A 62 113.166 8.883 1.741 1.00 0.00 C ATOM 812 O TYR A 62 113.956 8.386 0.962 1.00 0.00 O ATOM 813 CB TYR A 62 111.215 9.515 0.268 1.00 0.00 C ATOM 814 CG TYR A 62 110.387 8.390 0.842 1.00 0.00 C ATOM 815 CD1 TYR A 62 109.280 8.678 1.649 1.00 0.00 C ATOM 816 CD2 TYR A 62 110.727 7.059 0.570 1.00 0.00 C ATOM 817 CE1 TYR A 62 108.513 7.637 2.185 1.00 0.00 C ATOM 818 CE2 TYR A 62 109.959 6.018 1.105 1.00 0.00 C ATOM 819 CZ TYR A 62 108.853 6.306 1.913 1.00 0.00 C ATOM 820 OH TYR A 62 108.098 5.279 2.441 1.00 0.00 O ATOM 0 H TYR A 62 113.448 10.899 -0.174 1.00 0.00 H new ATOM 0 HA TYR A 62 111.706 10.326 2.237 1.00 0.00 H new ATOM 0 HB2 TYR A 62 110.567 10.333 -0.048 1.00 0.00 H new ATOM 0 HB3 TYR A 62 111.750 9.172 -0.618 1.00 0.00 H new ATOM 0 HD1 TYR A 62 109.017 9.704 1.858 1.00 0.00 H new ATOM 0 HD2 TYR A 62 111.581 6.836 -0.052 1.00 0.00 H new ATOM 0 HE1 TYR A 62 107.659 7.860 2.808 1.00 0.00 H new ATOM 0 HE2 TYR A 62 110.220 4.992 0.894 1.00 0.00 H new ATOM 0 HH TYR A 62 108.469 4.419 2.154 1.00 0.00 H new ATOM 829 N TYR A 63 113.076 8.494 2.984 1.00 0.00 N ATOM 830 CA TYR A 63 113.952 7.409 3.509 1.00 0.00 C ATOM 831 C TYR A 63 113.101 6.214 3.919 1.00 0.00 C ATOM 832 O TYR A 63 112.067 6.365 4.539 1.00 0.00 O ATOM 833 CB TYR A 63 114.654 8.018 4.721 1.00 0.00 C ATOM 834 CG TYR A 63 115.541 9.153 4.268 1.00 0.00 C ATOM 835 CD1 TYR A 63 116.813 8.882 3.751 1.00 0.00 C ATOM 836 CD2 TYR A 63 115.092 10.476 4.366 1.00 0.00 C ATOM 837 CE1 TYR A 63 117.637 9.933 3.330 1.00 0.00 C ATOM 838 CE2 TYR A 63 115.916 11.526 3.946 1.00 0.00 C ATOM 839 CZ TYR A 63 117.188 11.255 3.428 1.00 0.00 C ATOM 840 OH TYR A 63 118.000 12.291 3.013 1.00 0.00 O ATOM 0 H TYR A 63 112.426 8.886 3.665 1.00 0.00 H new ATOM 0 HA TYR A 63 114.668 7.052 2.769 1.00 0.00 H new ATOM 0 HB2 TYR A 63 113.917 8.381 5.438 1.00 0.00 H new ATOM 0 HB3 TYR A 63 115.247 7.259 5.231 1.00 0.00 H new ATOM 0 HD1 TYR A 63 117.159 7.862 3.677 1.00 0.00 H new ATOM 0 HD2 TYR A 63 114.111 10.686 4.765 1.00 0.00 H new ATOM 0 HE1 TYR A 63 118.618 9.724 2.930 1.00 0.00 H new ATOM 0 HE2 TYR A 63 115.570 12.546 4.022 1.00 0.00 H new ATOM 0 HH TYR A 63 117.448 13.013 2.648 1.00 0.00 H new ATOM 849 N GLY A 64 113.519 5.025 3.576 1.00 0.00 N ATOM 850 CA GLY A 64 112.718 3.831 3.949 1.00 0.00 C ATOM 851 C GLY A 64 113.637 2.646 4.224 1.00 0.00 C ATOM 852 O GLY A 64 114.256 2.105 3.327 1.00 0.00 O ATOM 0 H GLY A 64 114.376 4.833 3.057 1.00 0.00 H new ATOM 0 HA2 GLY A 64 112.118 4.048 4.833 1.00 0.00 H new ATOM 0 HA3 GLY A 64 112.024 3.584 3.145 1.00 0.00 H new ATOM 855 N ILE A 65 113.702 2.219 5.456 1.00 0.00 N ATOM 856 CA ILE A 65 114.548 1.045 5.791 1.00 0.00 C ATOM 857 C ILE A 65 113.618 -0.147 5.927 1.00 0.00 C ATOM 858 O ILE A 65 112.563 -0.036 6.515 1.00 0.00 O ATOM 859 CB ILE A 65 115.213 1.382 7.128 1.00 0.00 C ATOM 860 CG1 ILE A 65 116.029 2.670 6.985 1.00 0.00 C ATOM 861 CG2 ILE A 65 116.141 0.237 7.539 1.00 0.00 C ATOM 862 CD1 ILE A 65 116.574 3.086 8.352 1.00 0.00 C ATOM 0 H ILE A 65 113.204 2.635 6.243 1.00 0.00 H new ATOM 0 HA ILE A 65 115.307 0.816 5.043 1.00 0.00 H new ATOM 0 HB ILE A 65 114.445 1.521 7.889 1.00 0.00 H new ATOM 0 HG12 ILE A 65 116.851 2.516 6.286 1.00 0.00 H new ATOM 0 HG13 ILE A 65 115.405 3.464 6.574 1.00 0.00 H new ATOM 0 HG21 ILE A 65 116.615 0.477 8.491 1.00 0.00 H new ATOM 0 HG22 ILE A 65 115.562 -0.681 7.642 1.00 0.00 H new ATOM 0 HG23 ILE A 65 116.908 0.099 6.777 1.00 0.00 H new ATOM 0 HD11 ILE A 65 117.155 4.003 8.249 1.00 0.00 H new ATOM 0 HD12 ILE A 65 115.744 3.257 9.038 1.00 0.00 H new ATOM 0 HD13 ILE A 65 117.212 2.295 8.745 1.00 0.00 H new ATOM 873 N THR A 66 113.968 -1.277 5.377 1.00 0.00 N ATOM 874 CA THR A 66 113.054 -2.442 5.490 1.00 0.00 C ATOM 875 C THR A 66 113.833 -3.756 5.475 1.00 0.00 C ATOM 876 O THR A 66 114.779 -3.919 4.729 1.00 0.00 O ATOM 877 CB THR A 66 112.149 -2.341 4.265 1.00 0.00 C ATOM 878 OG1 THR A 66 111.666 -1.009 4.145 1.00 0.00 O ATOM 879 CG2 THR A 66 110.971 -3.294 4.429 1.00 0.00 C ATOM 0 H THR A 66 114.833 -1.441 4.863 1.00 0.00 H new ATOM 0 HA THR A 66 112.494 -2.432 6.425 1.00 0.00 H new ATOM 0 HB THR A 66 112.712 -2.607 3.370 1.00 0.00 H new ATOM 0 HG1 THR A 66 111.086 -0.941 3.358 1.00 0.00 H new ATOM 0 HG21 THR A 66 110.322 -3.224 3.556 1.00 0.00 H new ATOM 0 HG22 THR A 66 111.340 -4.315 4.527 1.00 0.00 H new ATOM 0 HG23 THR A 66 110.407 -3.025 5.322 1.00 0.00 H new ATOM 887 N ALA A 67 113.434 -4.700 6.285 1.00 0.00 N ATOM 888 CA ALA A 67 114.131 -6.014 6.320 1.00 0.00 C ATOM 889 C ALA A 67 113.136 -7.084 6.772 1.00 0.00 C ATOM 890 O ALA A 67 112.204 -6.793 7.494 1.00 0.00 O ATOM 891 CB ALA A 67 115.249 -5.842 7.349 1.00 0.00 C ATOM 0 H ALA A 67 112.648 -4.614 6.929 1.00 0.00 H new ATOM 0 HA ALA A 67 114.529 -6.317 5.352 1.00 0.00 H new ATOM 0 HB1 ALA A 67 115.812 -6.772 7.433 1.00 0.00 H new ATOM 0 HB2 ALA A 67 115.916 -5.041 7.031 1.00 0.00 H new ATOM 0 HB3 ALA A 67 114.817 -5.590 8.317 1.00 0.00 H new ATOM 897 N GLY A 68 113.310 -8.312 6.360 1.00 0.00 N ATOM 898 CA GLY A 68 112.348 -9.370 6.785 1.00 0.00 C ATOM 899 C GLY A 68 112.929 -10.763 6.524 1.00 0.00 C ATOM 900 O GLY A 68 113.965 -10.895 5.905 1.00 0.00 O ATOM 0 H GLY A 68 114.068 -8.626 5.754 1.00 0.00 H new ATOM 0 HA2 GLY A 68 112.120 -9.258 7.845 1.00 0.00 H new ATOM 0 HA3 GLY A 68 111.409 -9.254 6.243 1.00 0.00 H new ATOM 903 N PRO A 69 112.234 -11.764 7.013 1.00 0.00 N ATOM 904 CA PRO A 69 112.687 -13.164 6.833 1.00 0.00 C ATOM 905 C PRO A 69 112.503 -13.618 5.382 1.00 0.00 C ATOM 906 O PRO A 69 111.748 -13.036 4.628 1.00 0.00 O ATOM 907 CB PRO A 69 111.783 -13.962 7.769 1.00 0.00 C ATOM 908 CG PRO A 69 110.552 -13.128 7.921 1.00 0.00 C ATOM 909 CD PRO A 69 110.974 -11.691 7.771 1.00 0.00 C ATOM 0 HA PRO A 69 113.746 -13.294 7.055 1.00 0.00 H new ATOM 0 HB2 PRO A 69 111.548 -14.941 7.351 1.00 0.00 H new ATOM 0 HB3 PRO A 69 112.265 -14.134 8.732 1.00 0.00 H new ATOM 0 HG2 PRO A 69 109.811 -13.393 7.167 1.00 0.00 H new ATOM 0 HG3 PRO A 69 110.091 -13.295 8.894 1.00 0.00 H new ATOM 0 HD2 PRO A 69 110.222 -11.108 7.239 1.00 0.00 H new ATOM 0 HD3 PRO A 69 111.119 -11.215 8.741 1.00 0.00 H new ATOM 914 N ALA A 70 113.179 -14.667 5.000 1.00 0.00 N ATOM 915 CA ALA A 70 113.047 -15.190 3.606 1.00 0.00 C ATOM 916 C ALA A 70 113.039 -16.721 3.631 1.00 0.00 C ATOM 917 O ALA A 70 113.804 -17.335 4.353 1.00 0.00 O ATOM 918 CB ALA A 70 114.279 -14.669 2.866 1.00 0.00 C ATOM 0 H ALA A 70 113.822 -15.189 5.596 1.00 0.00 H new ATOM 0 HA ALA A 70 112.124 -14.869 3.123 1.00 0.00 H new ATOM 0 HB1 ALA A 70 114.254 -15.012 1.832 1.00 0.00 H new ATOM 0 HB2 ALA A 70 114.282 -13.579 2.887 1.00 0.00 H new ATOM 0 HB3 ALA A 70 115.180 -15.044 3.351 1.00 0.00 H new ATOM 924 N TYR A 71 112.174 -17.344 2.865 1.00 0.00 N ATOM 925 CA TYR A 71 112.123 -18.836 2.877 1.00 0.00 C ATOM 926 C TYR A 71 112.499 -19.406 1.509 1.00 0.00 C ATOM 927 O TYR A 71 111.892 -19.088 0.503 1.00 0.00 O ATOM 928 CB TYR A 71 110.671 -19.180 3.219 1.00 0.00 C ATOM 929 CG TYR A 71 110.323 -18.617 4.578 1.00 0.00 C ATOM 930 CD1 TYR A 71 110.672 -19.320 5.737 1.00 0.00 C ATOM 931 CD2 TYR A 71 109.655 -17.392 4.678 1.00 0.00 C ATOM 932 CE1 TYR A 71 110.351 -18.798 6.996 1.00 0.00 C ATOM 933 CE2 TYR A 71 109.333 -16.869 5.935 1.00 0.00 C ATOM 934 CZ TYR A 71 109.682 -17.573 7.095 1.00 0.00 C ATOM 935 OH TYR A 71 109.365 -17.058 8.335 1.00 0.00 O ATOM 0 H TYR A 71 111.510 -16.888 2.240 1.00 0.00 H new ATOM 0 HA TYR A 71 112.827 -19.260 3.593 1.00 0.00 H new ATOM 0 HB2 TYR A 71 110.002 -18.770 2.462 1.00 0.00 H new ATOM 0 HB3 TYR A 71 110.532 -20.261 3.216 1.00 0.00 H new ATOM 0 HD1 TYR A 71 111.189 -20.265 5.660 1.00 0.00 H new ATOM 0 HD2 TYR A 71 109.387 -16.849 3.783 1.00 0.00 H new ATOM 0 HE1 TYR A 71 110.620 -19.341 7.890 1.00 0.00 H new ATOM 0 HE2 TYR A 71 108.816 -15.924 6.011 1.00 0.00 H new ATOM 0 HH TYR A 71 108.903 -16.201 8.225 1.00 0.00 H new ATOM 944 N ARG A 72 113.488 -20.262 1.472 1.00 0.00 N ATOM 945 CA ARG A 72 113.905 -20.879 0.180 1.00 0.00 C ATOM 946 C ARG A 72 113.526 -22.362 0.172 1.00 0.00 C ATOM 947 O ARG A 72 113.813 -23.087 1.105 1.00 0.00 O ATOM 948 CB ARG A 72 115.424 -20.712 0.127 1.00 0.00 C ATOM 949 CG ARG A 72 115.944 -21.213 -1.222 1.00 0.00 C ATOM 950 CD ARG A 72 117.470 -21.108 -1.255 1.00 0.00 C ATOM 951 NE ARG A 72 117.854 -21.525 -2.633 1.00 0.00 N ATOM 952 CZ ARG A 72 118.421 -22.684 -2.829 1.00 0.00 C ATOM 953 NH1 ARG A 72 119.385 -23.079 -2.042 1.00 0.00 N ATOM 954 NH2 ARG A 72 118.026 -23.446 -3.811 1.00 0.00 N ATOM 0 H ARG A 72 114.026 -20.560 2.286 1.00 0.00 H new ATOM 0 HA ARG A 72 113.420 -20.415 -0.679 1.00 0.00 H new ATOM 0 HB2 ARG A 72 115.691 -19.664 0.266 1.00 0.00 H new ATOM 0 HB3 ARG A 72 115.891 -21.270 0.939 1.00 0.00 H new ATOM 0 HG2 ARG A 72 115.637 -22.247 -1.380 1.00 0.00 H new ATOM 0 HG3 ARG A 72 115.511 -20.625 -2.031 1.00 0.00 H new ATOM 0 HD2 ARG A 72 117.801 -20.091 -1.044 1.00 0.00 H new ATOM 0 HD3 ARG A 72 117.927 -21.754 -0.505 1.00 0.00 H new ATOM 0 HE ARG A 72 117.674 -20.905 -3.423 1.00 0.00 H new ATOM 0 HH11 ARG A 72 119.694 -22.482 -1.275 1.00 0.00 H new ATOM 0 HH12 ARG A 72 119.829 -23.985 -2.194 1.00 0.00 H new ATOM 0 HH21 ARG A 72 117.274 -23.136 -4.426 1.00 0.00 H new ATOM 0 HH22 ARG A 72 118.469 -24.352 -3.964 1.00 0.00 H new ATOM 1030 N ALA A 77 109.716 -19.901 -6.906 1.00 0.00 N ATOM 1031 CA ALA A 77 109.741 -18.554 -6.257 1.00 0.00 C ATOM 1032 C ALA A 77 110.063 -18.655 -4.761 1.00 0.00 C ATOM 1033 O ALA A 77 109.986 -19.711 -4.164 1.00 0.00 O ATOM 1034 CB ALA A 77 108.331 -17.994 -6.457 1.00 0.00 C ATOM 0 HA ALA A 77 110.512 -17.918 -6.692 1.00 0.00 H new ATOM 0 HB1 ALA A 77 108.266 -17.003 -6.007 1.00 0.00 H new ATOM 0 HB2 ALA A 77 108.115 -17.923 -7.523 1.00 0.00 H new ATOM 0 HB3 ALA A 77 107.606 -18.656 -5.983 1.00 0.00 H new ATOM 1040 N SER A 78 110.407 -17.547 -4.157 1.00 0.00 N ATOM 1041 CA SER A 78 110.723 -17.538 -2.695 1.00 0.00 C ATOM 1042 C SER A 78 109.780 -16.560 -1.983 1.00 0.00 C ATOM 1043 O SER A 78 109.208 -15.687 -2.608 1.00 0.00 O ATOM 1044 CB SER A 78 112.170 -17.058 -2.601 1.00 0.00 C ATOM 1045 OG SER A 78 112.247 -15.709 -3.042 1.00 0.00 O ATOM 0 H SER A 78 110.483 -16.640 -4.617 1.00 0.00 H new ATOM 0 HA SER A 78 110.598 -18.515 -2.228 1.00 0.00 H new ATOM 0 HB2 SER A 78 112.526 -17.138 -1.574 1.00 0.00 H new ATOM 0 HB3 SER A 78 112.815 -17.690 -3.212 1.00 0.00 H new ATOM 0 HG SER A 78 113.172 -15.497 -3.286 1.00 0.00 H new ATOM 1050 N ILE A 79 109.601 -16.691 -0.689 1.00 0.00 N ATOM 1051 CA ILE A 79 108.678 -15.753 0.021 1.00 0.00 C ATOM 1052 C ILE A 79 109.399 -15.066 1.181 1.00 0.00 C ATOM 1053 O ILE A 79 110.122 -15.692 1.931 1.00 0.00 O ATOM 1054 CB ILE A 79 107.534 -16.629 0.542 1.00 0.00 C ATOM 1055 CG1 ILE A 79 106.872 -17.361 -0.630 1.00 0.00 C ATOM 1056 CG2 ILE A 79 106.492 -15.751 1.241 1.00 0.00 C ATOM 1057 CD1 ILE A 79 105.828 -18.345 -0.095 1.00 0.00 C ATOM 0 H ILE A 79 110.047 -17.396 -0.103 1.00 0.00 H new ATOM 0 HA ILE A 79 108.317 -14.962 -0.637 1.00 0.00 H new ATOM 0 HB ILE A 79 107.933 -17.356 1.249 1.00 0.00 H new ATOM 0 HG12 ILE A 79 106.400 -16.643 -1.301 1.00 0.00 H new ATOM 0 HG13 ILE A 79 107.625 -17.894 -1.211 1.00 0.00 H new ATOM 0 HG21 ILE A 79 105.679 -16.376 1.611 1.00 0.00 H new ATOM 0 HG22 ILE A 79 106.958 -15.229 2.077 1.00 0.00 H new ATOM 0 HG23 ILE A 79 106.096 -15.022 0.533 1.00 0.00 H new ATOM 0 HD11 ILE A 79 105.357 -18.865 -0.929 1.00 0.00 H new ATOM 0 HD12 ILE A 79 106.313 -19.070 0.558 1.00 0.00 H new ATOM 0 HD13 ILE A 79 105.069 -17.801 0.467 1.00 0.00 H new ATOM 1068 N TYR A 80 109.205 -13.781 1.332 1.00 0.00 N ATOM 1069 CA TYR A 80 109.877 -13.056 2.448 1.00 0.00 C ATOM 1070 C TYR A 80 108.984 -11.933 2.987 1.00 0.00 C ATOM 1071 O TYR A 80 108.090 -11.456 2.316 1.00 0.00 O ATOM 1072 CB TYR A 80 111.168 -12.499 1.833 1.00 0.00 C ATOM 1073 CG TYR A 80 110.849 -11.408 0.833 1.00 0.00 C ATOM 1074 CD1 TYR A 80 110.537 -11.739 -0.490 1.00 0.00 C ATOM 1075 CD2 TYR A 80 110.868 -10.066 1.233 1.00 0.00 C ATOM 1076 CE1 TYR A 80 110.244 -10.729 -1.415 1.00 0.00 C ATOM 1077 CE2 TYR A 80 110.574 -9.057 0.309 1.00 0.00 C ATOM 1078 CZ TYR A 80 110.262 -9.388 -1.017 1.00 0.00 C ATOM 1079 OH TYR A 80 109.973 -8.393 -1.934 1.00 0.00 O ATOM 0 H TYR A 80 108.613 -13.206 0.733 1.00 0.00 H new ATOM 0 HA TYR A 80 110.082 -13.706 3.299 1.00 0.00 H new ATOM 0 HB2 TYR A 80 111.812 -12.104 2.619 1.00 0.00 H new ATOM 0 HB3 TYR A 80 111.720 -13.301 1.342 1.00 0.00 H new ATOM 0 HD1 TYR A 80 110.522 -12.774 -0.798 1.00 0.00 H new ATOM 0 HD2 TYR A 80 111.109 -9.810 2.254 1.00 0.00 H new ATOM 0 HE1 TYR A 80 110.004 -10.986 -2.436 1.00 0.00 H new ATOM 0 HE2 TYR A 80 110.587 -8.022 0.618 1.00 0.00 H new ATOM 0 HH TYR A 80 110.433 -8.583 -2.778 1.00 0.00 H new ATOM 1088 N GLY A 81 109.237 -11.506 4.194 1.00 0.00 N ATOM 1089 CA GLY A 81 108.428 -10.407 4.791 1.00 0.00 C ATOM 1090 C GLY A 81 109.247 -9.118 4.752 1.00 0.00 C ATOM 1091 O GLY A 81 110.389 -9.119 4.336 1.00 0.00 O ATOM 0 H GLY A 81 109.974 -11.874 4.795 1.00 0.00 H new ATOM 0 HA2 GLY A 81 107.497 -10.280 4.238 1.00 0.00 H new ATOM 0 HA3 GLY A 81 108.158 -10.652 5.818 1.00 0.00 H new ATOM 1094 N VAL A 82 108.680 -8.020 5.178 1.00 0.00 N ATOM 1095 CA VAL A 82 109.447 -6.739 5.166 1.00 0.00 C ATOM 1096 C VAL A 82 109.011 -5.839 6.331 1.00 0.00 C ATOM 1097 O VAL A 82 107.838 -5.621 6.550 1.00 0.00 O ATOM 1098 CB VAL A 82 109.109 -6.091 3.816 1.00 0.00 C ATOM 1099 CG1 VAL A 82 109.578 -7.002 2.679 1.00 0.00 C ATOM 1100 CG2 VAL A 82 107.593 -5.869 3.704 1.00 0.00 C ATOM 0 H VAL A 82 107.725 -7.954 5.532 1.00 0.00 H new ATOM 0 HA VAL A 82 110.519 -6.897 5.285 1.00 0.00 H new ATOM 0 HB VAL A 82 109.616 -5.129 3.746 1.00 0.00 H new ATOM 0 HG11 VAL A 82 109.338 -6.541 1.721 1.00 0.00 H new ATOM 0 HG12 VAL A 82 110.656 -7.148 2.751 1.00 0.00 H new ATOM 0 HG13 VAL A 82 109.075 -7.966 2.754 1.00 0.00 H new ATOM 0 HG21 VAL A 82 107.363 -5.409 2.743 1.00 0.00 H new ATOM 0 HG22 VAL A 82 107.078 -6.827 3.780 1.00 0.00 H new ATOM 0 HG23 VAL A 82 107.261 -5.214 4.509 1.00 0.00 H new ATOM 1110 N VAL A 83 109.951 -5.310 7.073 1.00 0.00 N ATOM 1111 CA VAL A 83 109.598 -4.412 8.218 1.00 0.00 C ATOM 1112 C VAL A 83 110.663 -3.320 8.372 1.00 0.00 C ATOM 1113 O VAL A 83 111.815 -3.530 8.054 1.00 0.00 O ATOM 1114 CB VAL A 83 109.539 -5.319 9.455 1.00 0.00 C ATOM 1115 CG1 VAL A 83 110.905 -5.966 9.712 1.00 0.00 C ATOM 1116 CG2 VAL A 83 109.136 -4.482 10.672 1.00 0.00 C ATOM 0 H VAL A 83 110.950 -5.461 6.936 1.00 0.00 H new ATOM 0 HA VAL A 83 108.647 -3.902 8.067 1.00 0.00 H new ATOM 0 HB VAL A 83 108.806 -6.107 9.283 1.00 0.00 H new ATOM 0 HG11 VAL A 83 110.845 -6.606 10.593 1.00 0.00 H new ATOM 0 HG12 VAL A 83 111.192 -6.565 8.848 1.00 0.00 H new ATOM 0 HG13 VAL A 83 111.650 -5.188 9.879 1.00 0.00 H new ATOM 0 HG21 VAL A 83 109.092 -5.120 11.554 1.00 0.00 H new ATOM 0 HG22 VAL A 83 109.871 -3.693 10.831 1.00 0.00 H new ATOM 0 HG23 VAL A 83 108.157 -4.035 10.498 1.00 0.00 H new ATOM 1126 N GLY A 84 110.298 -2.170 8.878 1.00 0.00 N ATOM 1127 CA GLY A 84 111.302 -1.097 9.061 1.00 0.00 C ATOM 1128 C GLY A 84 110.614 0.259 9.203 1.00 0.00 C ATOM 1129 O GLY A 84 109.498 0.363 9.676 1.00 0.00 O ATOM 0 H GLY A 84 109.349 -1.935 9.170 1.00 0.00 H new ATOM 0 HA2 GLY A 84 111.904 -1.301 9.947 1.00 0.00 H new ATOM 0 HA3 GLY A 84 111.983 -1.079 8.210 1.00 0.00 H new ATOM 1132 N VAL A 85 111.307 1.297 8.836 1.00 0.00 N ATOM 1133 CA VAL A 85 110.740 2.671 8.990 1.00 0.00 C ATOM 1134 C VAL A 85 110.821 3.499 7.697 1.00 0.00 C ATOM 1135 O VAL A 85 111.781 3.450 6.957 1.00 0.00 O ATOM 1136 CB VAL A 85 111.586 3.311 10.095 1.00 0.00 C ATOM 1137 CG1 VAL A 85 113.044 3.415 9.638 1.00 0.00 C ATOM 1138 CG2 VAL A 85 111.050 4.710 10.406 1.00 0.00 C ATOM 0 H VAL A 85 112.244 1.258 8.435 1.00 0.00 H new ATOM 0 HA VAL A 85 109.678 2.631 9.230 1.00 0.00 H new ATOM 0 HB VAL A 85 111.532 2.692 10.991 1.00 0.00 H new ATOM 0 HG11 VAL A 85 113.641 3.871 10.428 1.00 0.00 H new ATOM 0 HG12 VAL A 85 113.429 2.419 9.421 1.00 0.00 H new ATOM 0 HG13 VAL A 85 113.101 4.030 8.740 1.00 0.00 H new ATOM 0 HG21 VAL A 85 111.653 5.164 11.192 1.00 0.00 H new ATOM 0 HG22 VAL A 85 111.100 5.327 9.509 1.00 0.00 H new ATOM 0 HG23 VAL A 85 110.015 4.637 10.739 1.00 0.00 H new ATOM 1148 N GLY A 86 109.797 4.275 7.460 1.00 0.00 N ATOM 1149 CA GLY A 86 109.756 5.152 6.250 1.00 0.00 C ATOM 1150 C GLY A 86 109.515 6.596 6.694 1.00 0.00 C ATOM 1151 O GLY A 86 108.573 6.874 7.412 1.00 0.00 O ATOM 0 H GLY A 86 108.975 4.340 8.061 1.00 0.00 H new ATOM 0 HA2 GLY A 86 110.694 5.078 5.699 1.00 0.00 H new ATOM 0 HA3 GLY A 86 108.964 4.827 5.576 1.00 0.00 H new ATOM 1154 N TYR A 87 110.351 7.524 6.284 1.00 0.00 N ATOM 1155 CA TYR A 87 110.140 8.937 6.706 1.00 0.00 C ATOM 1156 C TYR A 87 110.696 9.903 5.663 1.00 0.00 C ATOM 1157 O TYR A 87 111.490 9.530 4.828 1.00 0.00 O ATOM 1158 CB TYR A 87 110.875 9.063 8.049 1.00 0.00 C ATOM 1159 CG TYR A 87 112.374 8.969 7.859 1.00 0.00 C ATOM 1160 CD1 TYR A 87 113.006 7.720 7.893 1.00 0.00 C ATOM 1161 CD2 TYR A 87 113.131 10.130 7.668 1.00 0.00 C ATOM 1162 CE1 TYR A 87 114.395 7.633 7.733 1.00 0.00 C ATOM 1163 CE2 TYR A 87 114.519 10.044 7.511 1.00 0.00 C ATOM 1164 CZ TYR A 87 115.151 8.796 7.543 1.00 0.00 C ATOM 1165 OH TYR A 87 116.519 8.711 7.388 1.00 0.00 O ATOM 0 H TYR A 87 111.159 7.362 5.683 1.00 0.00 H new ATOM 0 HA TYR A 87 109.084 9.188 6.805 1.00 0.00 H new ATOM 0 HB2 TYR A 87 110.623 10.015 8.517 1.00 0.00 H new ATOM 0 HB3 TYR A 87 110.541 8.276 8.726 1.00 0.00 H new ATOM 0 HD1 TYR A 87 112.423 6.824 8.043 1.00 0.00 H new ATOM 0 HD2 TYR A 87 112.644 11.093 7.642 1.00 0.00 H new ATOM 0 HE1 TYR A 87 114.882 6.669 7.756 1.00 0.00 H new ATOM 0 HE2 TYR A 87 115.102 10.941 7.365 1.00 0.00 H new ATOM 0 HH TYR A 87 116.746 8.789 6.438 1.00 0.00 H new ATOM 1174 N GLY A 88 110.287 11.141 5.708 1.00 0.00 N ATOM 1175 CA GLY A 88 110.797 12.127 4.716 1.00 0.00 C ATOM 1176 C GLY A 88 111.140 13.438 5.420 1.00 0.00 C ATOM 1177 O GLY A 88 110.572 13.774 6.447 1.00 0.00 O ATOM 0 H GLY A 88 109.623 11.511 6.388 1.00 0.00 H new ATOM 0 HA2 GLY A 88 111.680 11.730 4.216 1.00 0.00 H new ATOM 0 HA3 GLY A 88 110.047 12.303 3.945 1.00 0.00 H new ATOM 1180 N LYS A 89 112.061 14.182 4.868 1.00 0.00 N ATOM 1181 CA LYS A 89 112.450 15.482 5.483 1.00 0.00 C ATOM 1182 C LYS A 89 111.751 16.627 4.749 1.00 0.00 C ATOM 1183 O LYS A 89 111.833 16.741 3.538 1.00 0.00 O ATOM 1184 CB LYS A 89 113.967 15.567 5.301 1.00 0.00 C ATOM 1185 CG LYS A 89 114.508 16.764 6.086 1.00 0.00 C ATOM 1186 CD LYS A 89 116.036 16.794 5.990 1.00 0.00 C ATOM 1187 CE LYS A 89 116.455 17.165 4.564 1.00 0.00 C ATOM 1188 NZ LYS A 89 117.615 16.281 4.263 1.00 0.00 N ATOM 0 H LYS A 89 112.563 13.943 4.013 1.00 0.00 H new ATOM 0 HA LYS A 89 112.167 15.553 6.533 1.00 0.00 H new ATOM 0 HB2 LYS A 89 114.438 14.648 5.649 1.00 0.00 H new ATOM 0 HB3 LYS A 89 114.212 15.671 4.244 1.00 0.00 H new ATOM 0 HG2 LYS A 89 114.091 17.690 5.690 1.00 0.00 H new ATOM 0 HG3 LYS A 89 114.200 16.696 7.130 1.00 0.00 H new ATOM 0 HD2 LYS A 89 116.441 17.517 6.698 1.00 0.00 H new ATOM 0 HD3 LYS A 89 116.446 15.821 6.259 1.00 0.00 H new ATOM 0 HE2 LYS A 89 115.641 17.002 3.858 1.00 0.00 H new ATOM 0 HE3 LYS A 89 116.732 18.217 4.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 118.442 16.864 4.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 117.833 15.698 5.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 117.381 15.663 3.460 1.00 0.00 H new ATOM 1404 N ASP A 104 109.055 13.097 9.483 1.00 0.00 N ATOM 1405 CA ASP A 104 107.954 12.221 9.992 1.00 0.00 C ATOM 1406 C ASP A 104 108.231 10.766 9.606 1.00 0.00 C ATOM 1407 O ASP A 104 108.507 10.470 8.463 1.00 0.00 O ATOM 1408 CB ASP A 104 106.688 12.730 9.300 1.00 0.00 C ATOM 1409 CG ASP A 104 106.377 14.158 9.764 1.00 0.00 C ATOM 1410 OD1 ASP A 104 106.879 14.547 10.808 1.00 0.00 O ATOM 1411 OD2 ASP A 104 105.638 14.835 9.070 1.00 0.00 O ATOM 0 HA ASP A 104 107.861 12.255 11.078 1.00 0.00 H new ATOM 0 HB2 ASP A 104 106.822 12.711 8.218 1.00 0.00 H new ATOM 0 HB3 ASP A 104 105.849 12.073 9.529 1.00 0.00 H new ATOM 1415 N TYR A 105 108.162 9.856 10.547 1.00 0.00 N ATOM 1416 CA TYR A 105 108.432 8.422 10.226 1.00 0.00 C ATOM 1417 C TYR A 105 107.275 7.535 10.703 1.00 0.00 C ATOM 1418 O TYR A 105 106.403 7.979 11.418 1.00 0.00 O ATOM 1419 CB TYR A 105 109.729 8.089 10.980 1.00 0.00 C ATOM 1420 CG TYR A 105 109.481 8.084 12.474 1.00 0.00 C ATOM 1421 CD1 TYR A 105 109.540 9.281 13.198 1.00 0.00 C ATOM 1422 CD2 TYR A 105 109.194 6.881 13.131 1.00 0.00 C ATOM 1423 CE1 TYR A 105 109.312 9.275 14.579 1.00 0.00 C ATOM 1424 CE2 TYR A 105 108.966 6.875 14.512 1.00 0.00 C ATOM 1425 CZ TYR A 105 109.024 8.072 15.236 1.00 0.00 C ATOM 1426 OH TYR A 105 108.798 8.067 16.597 1.00 0.00 O ATOM 0 H TYR A 105 107.931 10.045 11.522 1.00 0.00 H new ATOM 0 HA TYR A 105 108.528 8.248 9.154 1.00 0.00 H new ATOM 0 HB2 TYR A 105 110.102 7.115 10.663 1.00 0.00 H new ATOM 0 HB3 TYR A 105 110.499 8.821 10.735 1.00 0.00 H new ATOM 0 HD1 TYR A 105 109.761 10.209 12.691 1.00 0.00 H new ATOM 0 HD2 TYR A 105 109.149 5.958 12.572 1.00 0.00 H new ATOM 0 HE1 TYR A 105 109.358 10.198 15.138 1.00 0.00 H new ATOM 0 HE2 TYR A 105 108.745 5.947 15.019 1.00 0.00 H new ATOM 0 HH TYR A 105 108.611 7.152 16.894 1.00 0.00 H new ATOM 1435 N GLY A 106 107.267 6.286 10.314 1.00 0.00 N ATOM 1436 CA GLY A 106 106.171 5.369 10.749 1.00 0.00 C ATOM 1437 C GLY A 106 106.667 3.923 10.689 1.00 0.00 C ATOM 1438 O GLY A 106 107.783 3.661 10.279 1.00 0.00 O ATOM 0 H GLY A 106 107.973 5.861 9.713 1.00 0.00 H new ATOM 0 HA2 GLY A 106 105.856 5.616 11.763 1.00 0.00 H new ATOM 0 HA3 GLY A 106 105.300 5.494 10.105 1.00 0.00 H new ATOM 1441 N PHE A 107 105.851 2.981 11.092 1.00 0.00 N ATOM 1442 CA PHE A 107 106.284 1.550 11.058 1.00 0.00 C ATOM 1443 C PHE A 107 105.785 0.881 9.775 1.00 0.00 C ATOM 1444 O PHE A 107 104.662 1.087 9.358 1.00 0.00 O ATOM 1445 CB PHE A 107 105.637 0.908 12.286 1.00 0.00 C ATOM 1446 CG PHE A 107 106.237 1.499 13.540 1.00 0.00 C ATOM 1447 CD1 PHE A 107 107.424 0.973 14.062 1.00 0.00 C ATOM 1448 CD2 PHE A 107 105.606 2.574 14.179 1.00 0.00 C ATOM 1449 CE1 PHE A 107 107.981 1.521 15.224 1.00 0.00 C ATOM 1450 CE2 PHE A 107 106.164 3.121 15.341 1.00 0.00 C ATOM 1451 CZ PHE A 107 107.351 2.595 15.863 1.00 0.00 C ATOM 0 H PHE A 107 104.906 3.140 11.442 1.00 0.00 H new ATOM 0 HA PHE A 107 107.369 1.446 11.071 1.00 0.00 H new ATOM 0 HB2 PHE A 107 104.560 1.075 12.272 1.00 0.00 H new ATOM 0 HB3 PHE A 107 105.792 -0.171 12.270 1.00 0.00 H new ATOM 0 HD1 PHE A 107 107.910 0.144 13.569 1.00 0.00 H new ATOM 0 HD2 PHE A 107 104.690 2.980 13.776 1.00 0.00 H new ATOM 0 HE1 PHE A 107 108.897 1.115 15.627 1.00 0.00 H new ATOM 0 HE2 PHE A 107 105.678 3.949 15.835 1.00 0.00 H new ATOM 0 HZ PHE A 107 107.781 3.018 16.759 1.00 0.00 H new ATOM 1460 N SER A 108 106.616 0.093 9.144 1.00 0.00 N ATOM 1461 CA SER A 108 106.197 -0.576 7.876 1.00 0.00 C ATOM 1462 C SER A 108 106.140 -2.097 8.051 1.00 0.00 C ATOM 1463 O SER A 108 106.829 -2.665 8.878 1.00 0.00 O ATOM 1464 CB SER A 108 107.271 -0.197 6.859 1.00 0.00 C ATOM 1465 OG SER A 108 107.353 1.220 6.769 1.00 0.00 O ATOM 0 H SER A 108 107.566 -0.116 9.451 1.00 0.00 H new ATOM 0 HA SER A 108 105.201 -0.264 7.563 1.00 0.00 H new ATOM 0 HB2 SER A 108 108.234 -0.610 7.159 1.00 0.00 H new ATOM 0 HB3 SER A 108 107.031 -0.622 5.884 1.00 0.00 H new ATOM 0 HG SER A 108 108.043 1.467 6.118 1.00 0.00 H new ATOM 1470 N TYR A 109 105.336 -2.757 7.255 1.00 0.00 N ATOM 1471 CA TYR A 109 105.231 -4.244 7.337 1.00 0.00 C ATOM 1472 C TYR A 109 104.690 -4.799 6.007 1.00 0.00 C ATOM 1473 O TYR A 109 103.994 -4.109 5.286 1.00 0.00 O ATOM 1474 CB TYR A 109 104.258 -4.512 8.496 1.00 0.00 C ATOM 1475 CG TYR A 109 102.850 -4.117 8.108 1.00 0.00 C ATOM 1476 CD1 TYR A 109 102.437 -2.784 8.230 1.00 0.00 C ATOM 1477 CD2 TYR A 109 101.960 -5.084 7.626 1.00 0.00 C ATOM 1478 CE1 TYR A 109 101.133 -2.420 7.870 1.00 0.00 C ATOM 1479 CE2 TYR A 109 100.657 -4.720 7.267 1.00 0.00 C ATOM 1480 CZ TYR A 109 100.244 -3.388 7.389 1.00 0.00 C ATOM 1481 OH TYR A 109 98.959 -3.028 7.035 1.00 0.00 O ATOM 0 H TYR A 109 104.744 -2.324 6.546 1.00 0.00 H new ATOM 0 HA TYR A 109 106.192 -4.729 7.510 1.00 0.00 H new ATOM 0 HB2 TYR A 109 104.285 -5.568 8.764 1.00 0.00 H new ATOM 0 HB3 TYR A 109 104.570 -3.951 9.377 1.00 0.00 H new ATOM 0 HD1 TYR A 109 103.123 -2.037 8.601 1.00 0.00 H new ATOM 0 HD2 TYR A 109 102.279 -6.111 7.531 1.00 0.00 H new ATOM 0 HE1 TYR A 109 100.814 -1.393 7.964 1.00 0.00 H new ATOM 0 HE2 TYR A 109 99.970 -5.467 6.896 1.00 0.00 H new ATOM 0 HH TYR A 109 98.473 -3.818 6.720 1.00 0.00 H new ATOM 1490 N GLY A 110 104.996 -6.032 5.676 1.00 0.00 N ATOM 1491 CA GLY A 110 104.481 -6.600 4.391 1.00 0.00 C ATOM 1492 C GLY A 110 105.326 -7.805 3.956 1.00 0.00 C ATOM 1493 O GLY A 110 106.147 -8.305 4.699 1.00 0.00 O ATOM 0 H GLY A 110 105.573 -6.662 6.233 1.00 0.00 H new ATOM 0 HA2 GLY A 110 103.441 -6.903 4.512 1.00 0.00 H new ATOM 0 HA3 GLY A 110 104.502 -5.835 3.615 1.00 0.00 H new ATOM 1496 N ALA A 111 105.121 -8.266 2.747 1.00 0.00 N ATOM 1497 CA ALA A 111 105.898 -9.436 2.228 1.00 0.00 C ATOM 1498 C ALA A 111 105.799 -9.473 0.699 1.00 0.00 C ATOM 1499 O ALA A 111 104.959 -8.809 0.120 1.00 0.00 O ATOM 1500 CB ALA A 111 105.228 -10.665 2.844 1.00 0.00 C ATOM 0 H ALA A 111 104.443 -7.879 2.091 1.00 0.00 H new ATOM 0 HA ALA A 111 106.956 -9.388 2.485 1.00 0.00 H new ATOM 0 HB1 ALA A 111 105.743 -11.566 2.510 1.00 0.00 H new ATOM 0 HB2 ALA A 111 105.278 -10.600 3.931 1.00 0.00 H new ATOM 0 HB3 ALA A 111 104.185 -10.706 2.531 1.00 0.00 H new ATOM 1506 N GLY A 112 106.637 -10.230 0.028 1.00 0.00 N ATOM 1507 CA GLY A 112 106.561 -10.279 -1.464 1.00 0.00 C ATOM 1508 C GLY A 112 107.079 -11.634 -1.963 1.00 0.00 C ATOM 1509 O GLY A 112 107.418 -12.503 -1.183 1.00 0.00 O ATOM 0 H GLY A 112 107.364 -10.810 0.447 1.00 0.00 H new ATOM 0 HA2 GLY A 112 105.532 -10.129 -1.791 1.00 0.00 H new ATOM 0 HA3 GLY A 112 107.153 -9.471 -1.895 1.00 0.00 H new ATOM 1512 N LEU A 113 107.136 -11.820 -3.259 1.00 0.00 N ATOM 1513 CA LEU A 113 107.628 -13.121 -3.812 1.00 0.00 C ATOM 1514 C LEU A 113 108.437 -12.884 -5.093 1.00 0.00 C ATOM 1515 O LEU A 113 108.167 -11.970 -5.846 1.00 0.00 O ATOM 1516 CB LEU A 113 106.365 -13.940 -4.114 1.00 0.00 C ATOM 1517 CG LEU A 113 105.415 -13.134 -5.006 1.00 0.00 C ATOM 1518 CD1 LEU A 113 104.591 -14.092 -5.868 1.00 0.00 C ATOM 1519 CD2 LEU A 113 104.477 -12.300 -4.130 1.00 0.00 C ATOM 0 H LEU A 113 106.864 -11.128 -3.957 1.00 0.00 H new ATOM 0 HA LEU A 113 108.286 -13.638 -3.113 1.00 0.00 H new ATOM 0 HB2 LEU A 113 106.637 -14.873 -4.608 1.00 0.00 H new ATOM 0 HB3 LEU A 113 105.864 -14.207 -3.183 1.00 0.00 H new ATOM 0 HG LEU A 113 105.994 -12.472 -5.650 1.00 0.00 H new ATOM 0 HD11 LEU A 113 103.915 -13.520 -6.503 1.00 0.00 H new ATOM 0 HD12 LEU A 113 105.259 -14.686 -6.492 1.00 0.00 H new ATOM 0 HD13 LEU A 113 104.011 -14.754 -5.224 1.00 0.00 H new ATOM 0 HD21 LEU A 113 103.801 -11.726 -4.764 1.00 0.00 H new ATOM 0 HD22 LEU A 113 103.897 -12.961 -3.486 1.00 0.00 H new ATOM 0 HD23 LEU A 113 105.064 -11.618 -3.515 1.00 0.00 H new ATOM 1530 N GLN A 114 109.433 -13.699 -5.343 1.00 0.00 N ATOM 1531 CA GLN A 114 110.267 -13.519 -6.571 1.00 0.00 C ATOM 1532 C GLN A 114 110.085 -14.703 -7.528 1.00 0.00 C ATOM 1533 O GLN A 114 109.854 -15.820 -7.108 1.00 0.00 O ATOM 1534 CB GLN A 114 111.706 -13.462 -6.060 1.00 0.00 C ATOM 1535 CG GLN A 114 112.654 -13.177 -7.227 1.00 0.00 C ATOM 1536 CD GLN A 114 114.101 -13.241 -6.735 1.00 0.00 C ATOM 1537 OE1 GLN A 114 114.589 -14.298 -6.383 1.00 0.00 O ATOM 1538 NE2 GLN A 114 114.813 -12.149 -6.695 1.00 0.00 N ATOM 0 H GLN A 114 109.704 -14.482 -4.748 1.00 0.00 H new ATOM 0 HA GLN A 114 109.989 -12.624 -7.127 1.00 0.00 H new ATOM 0 HB2 GLN A 114 111.803 -12.685 -5.302 1.00 0.00 H new ATOM 0 HB3 GLN A 114 111.972 -14.406 -5.585 1.00 0.00 H new ATOM 0 HG2 GLN A 114 112.497 -13.904 -8.023 1.00 0.00 H new ATOM 0 HG3 GLN A 114 112.445 -12.194 -7.648 1.00 0.00 H new ATOM 0 HE21 GLN A 114 114.404 -11.262 -6.990 1.00 0.00 H new ATOM 0 HE22 GLN A 114 115.779 -12.182 -6.369 1.00 0.00 H new ATOM 1545 N PHE A 115 110.196 -14.460 -8.811 1.00 0.00 N ATOM 1546 CA PHE A 115 110.037 -15.558 -9.814 1.00 0.00 C ATOM 1547 C PHE A 115 111.336 -15.744 -10.606 1.00 0.00 C ATOM 1548 O PHE A 115 112.205 -14.893 -10.599 1.00 0.00 O ATOM 1549 CB PHE A 115 108.916 -15.095 -10.747 1.00 0.00 C ATOM 1550 CG PHE A 115 107.601 -15.090 -10.008 1.00 0.00 C ATOM 1551 CD1 PHE A 115 106.846 -16.266 -9.919 1.00 0.00 C ATOM 1552 CD2 PHE A 115 107.130 -13.910 -9.419 1.00 0.00 C ATOM 1553 CE1 PHE A 115 105.622 -16.263 -9.240 1.00 0.00 C ATOM 1554 CE2 PHE A 115 105.906 -13.907 -8.739 1.00 0.00 C ATOM 1555 CZ PHE A 115 105.152 -15.083 -8.650 1.00 0.00 C ATOM 0 H PHE A 115 110.391 -13.541 -9.209 1.00 0.00 H new ATOM 0 HA PHE A 115 109.807 -16.512 -9.339 1.00 0.00 H new ATOM 0 HB2 PHE A 115 109.135 -14.096 -11.124 1.00 0.00 H new ATOM 0 HB3 PHE A 115 108.855 -15.756 -11.612 1.00 0.00 H new ATOM 0 HD1 PHE A 115 107.208 -17.176 -10.374 1.00 0.00 H new ATOM 0 HD2 PHE A 115 107.711 -13.002 -9.489 1.00 0.00 H new ATOM 0 HE1 PHE A 115 105.040 -17.170 -9.171 1.00 0.00 H new ATOM 0 HE2 PHE A 115 105.544 -12.997 -8.283 1.00 0.00 H new ATOM 0 HZ PHE A 115 104.208 -15.080 -8.126 1.00 0.00 H new ATOM 1564 N ASN A 116 111.474 -16.852 -11.289 1.00 0.00 N ATOM 1565 CA ASN A 116 112.715 -17.098 -12.084 1.00 0.00 C ATOM 1566 C ASN A 116 112.373 -17.248 -13.574 1.00 0.00 C ATOM 1567 O ASN A 116 112.279 -18.351 -14.077 1.00 0.00 O ATOM 1568 CB ASN A 116 113.286 -18.406 -11.531 1.00 0.00 C ATOM 1569 CG ASN A 116 114.089 -18.127 -10.256 1.00 0.00 C ATOM 1570 OD1 ASN A 116 114.244 -16.990 -9.854 1.00 0.00 O ATOM 1571 ND2 ASN A 116 114.610 -19.126 -9.600 1.00 0.00 N ATOM 0 H ASN A 116 110.780 -17.598 -11.330 1.00 0.00 H new ATOM 0 HA ASN A 116 113.425 -16.275 -12.004 1.00 0.00 H new ATOM 0 HB2 ASN A 116 112.477 -19.104 -11.316 1.00 0.00 H new ATOM 0 HB3 ASN A 116 113.925 -18.878 -12.277 1.00 0.00 H new ATOM 0 HD21 ASN A 116 115.147 -18.953 -8.750 1.00 0.00 H new ATOM 0 HD22 ASN A 116 114.480 -20.080 -9.937 1.00 0.00 H new ATOM 1577 N PRO A 117 112.199 -16.129 -14.239 1.00 0.00 N ATOM 1578 CA PRO A 117 111.865 -16.147 -15.689 1.00 0.00 C ATOM 1579 C PRO A 117 113.037 -16.681 -16.526 1.00 0.00 C ATOM 1580 O PRO A 117 112.872 -17.031 -17.679 1.00 0.00 O ATOM 1581 CB PRO A 117 111.587 -14.678 -16.011 1.00 0.00 C ATOM 1582 CG PRO A 117 112.334 -13.914 -14.969 1.00 0.00 C ATOM 1583 CD PRO A 117 112.297 -14.756 -13.722 1.00 0.00 C ATOM 0 HA PRO A 117 111.023 -16.800 -15.918 1.00 0.00 H new ATOM 0 HB2 PRO A 117 111.930 -14.420 -17.013 1.00 0.00 H new ATOM 0 HB3 PRO A 117 110.520 -14.459 -15.973 1.00 0.00 H new ATOM 0 HG2 PRO A 117 113.361 -13.729 -15.283 1.00 0.00 H new ATOM 0 HG3 PRO A 117 111.874 -12.941 -14.795 1.00 0.00 H new ATOM 0 HD2 PRO A 117 113.193 -14.618 -13.117 1.00 0.00 H new ATOM 0 HD3 PRO A 117 111.445 -14.503 -13.091 1.00 0.00 H new ATOM 1588 N MET A 118 114.212 -16.763 -15.954 1.00 0.00 N ATOM 1589 CA MET A 118 115.379 -17.288 -16.699 1.00 0.00 C ATOM 1590 C MET A 118 116.311 -17.979 -15.712 1.00 0.00 C ATOM 1591 O MET A 118 116.027 -18.076 -14.533 1.00 0.00 O ATOM 1592 CB MET A 118 116.071 -16.074 -17.325 1.00 0.00 C ATOM 1593 CG MET A 118 115.090 -15.323 -18.229 1.00 0.00 C ATOM 1594 SD MET A 118 115.976 -14.031 -19.136 1.00 0.00 S ATOM 1595 CE MET A 118 116.860 -15.120 -20.281 1.00 0.00 C ATOM 0 H MET A 118 114.407 -16.484 -14.992 1.00 0.00 H new ATOM 0 HA MET A 118 115.094 -18.006 -17.468 1.00 0.00 H new ATOM 0 HB2 MET A 118 116.439 -15.410 -16.542 1.00 0.00 H new ATOM 0 HB3 MET A 118 116.937 -16.396 -17.903 1.00 0.00 H new ATOM 0 HG2 MET A 118 114.619 -16.015 -18.927 1.00 0.00 H new ATOM 0 HG3 MET A 118 114.293 -14.881 -17.631 1.00 0.00 H new ATOM 0 HE1 MET A 118 116.696 -14.782 -21.304 1.00 0.00 H new ATOM 0 HE2 MET A 118 117.926 -15.095 -20.057 1.00 0.00 H new ATOM 0 HE3 MET A 118 116.490 -16.140 -20.172 1.00 0.00 H new ATOM 1603 N GLU A 119 117.412 -18.457 -16.187 1.00 0.00 N ATOM 1604 CA GLU A 119 118.382 -19.151 -15.292 1.00 0.00 C ATOM 1605 C GLU A 119 119.046 -18.157 -14.325 1.00 0.00 C ATOM 1606 O GLU A 119 119.239 -18.456 -13.162 1.00 0.00 O ATOM 1607 CB GLU A 119 119.415 -19.788 -16.233 1.00 0.00 C ATOM 1608 CG GLU A 119 120.213 -18.700 -16.964 1.00 0.00 C ATOM 1609 CD GLU A 119 121.132 -19.336 -18.015 1.00 0.00 C ATOM 1610 OE1 GLU A 119 121.243 -20.553 -18.028 1.00 0.00 O ATOM 1611 OE2 GLU A 119 121.713 -18.592 -18.788 1.00 0.00 O ATOM 0 H GLU A 119 117.693 -18.401 -17.166 1.00 0.00 H new ATOM 0 HA GLU A 119 117.895 -19.899 -14.666 1.00 0.00 H new ATOM 0 HB2 GLU A 119 120.092 -20.424 -15.663 1.00 0.00 H new ATOM 0 HB3 GLU A 119 118.911 -20.428 -16.958 1.00 0.00 H new ATOM 0 HG2 GLU A 119 119.531 -17.998 -17.443 1.00 0.00 H new ATOM 0 HG3 GLU A 119 120.806 -18.130 -16.248 1.00 0.00 H new ATOM 1616 N ASN A 120 119.414 -16.989 -14.794 1.00 0.00 N ATOM 1617 CA ASN A 120 120.083 -16.000 -13.892 1.00 0.00 C ATOM 1618 C ASN A 120 119.263 -14.710 -13.747 1.00 0.00 C ATOM 1619 O ASN A 120 119.753 -13.720 -13.238 1.00 0.00 O ATOM 1620 CB ASN A 120 121.424 -15.702 -14.564 1.00 0.00 C ATOM 1621 CG ASN A 120 122.268 -16.977 -14.610 1.00 0.00 C ATOM 1622 OD1 ASN A 120 122.813 -17.323 -15.639 1.00 0.00 O ATOM 1623 ND2 ASN A 120 122.401 -17.697 -13.528 1.00 0.00 N ATOM 0 H ASN A 120 119.281 -16.679 -15.757 1.00 0.00 H new ATOM 0 HA ASN A 120 120.194 -16.398 -12.883 1.00 0.00 H new ATOM 0 HB2 ASN A 120 121.261 -15.325 -15.574 1.00 0.00 H new ATOM 0 HB3 ASN A 120 121.953 -14.923 -14.015 1.00 0.00 H new ATOM 0 HD21 ASN A 120 122.962 -18.549 -13.548 1.00 0.00 H new ATOM 0 HD22 ASN A 120 121.944 -17.407 -12.663 1.00 0.00 H new ATOM 1629 N VAL A 121 118.027 -14.703 -14.178 1.00 0.00 N ATOM 1630 CA VAL A 121 117.204 -13.458 -14.042 1.00 0.00 C ATOM 1631 C VAL A 121 116.051 -13.699 -13.067 1.00 0.00 C ATOM 1632 O VAL A 121 115.412 -14.732 -13.094 1.00 0.00 O ATOM 1633 CB VAL A 121 116.659 -13.144 -15.439 1.00 0.00 C ATOM 1634 CG1 VAL A 121 115.990 -11.770 -15.420 1.00 0.00 C ATOM 1635 CG2 VAL A 121 117.803 -13.137 -16.460 1.00 0.00 C ATOM 0 H VAL A 121 117.554 -15.495 -14.614 1.00 0.00 H new ATOM 0 HA VAL A 121 117.797 -12.629 -13.656 1.00 0.00 H new ATOM 0 HB VAL A 121 115.934 -13.907 -15.721 1.00 0.00 H new ATOM 0 HG11 VAL A 121 115.600 -11.541 -16.412 1.00 0.00 H new ATOM 0 HG12 VAL A 121 115.171 -11.774 -14.700 1.00 0.00 H new ATOM 0 HG13 VAL A 121 116.721 -11.013 -15.134 1.00 0.00 H new ATOM 0 HG21 VAL A 121 117.406 -12.913 -17.450 1.00 0.00 H new ATOM 0 HG22 VAL A 121 118.534 -12.378 -16.182 1.00 0.00 H new ATOM 0 HG23 VAL A 121 118.283 -14.115 -16.475 1.00 0.00 H new ATOM 1645 N ALA A 122 115.792 -12.756 -12.202 1.00 0.00 N ATOM 1646 CA ALA A 122 114.684 -12.936 -11.220 1.00 0.00 C ATOM 1647 C ALA A 122 113.861 -11.654 -11.063 1.00 0.00 C ATOM 1648 O ALA A 122 114.391 -10.572 -10.930 1.00 0.00 O ATOM 1649 CB ALA A 122 115.380 -13.283 -9.905 1.00 0.00 C ATOM 0 H ALA A 122 116.297 -11.873 -12.133 1.00 0.00 H new ATOM 0 HA ALA A 122 113.985 -13.708 -11.542 1.00 0.00 H new ATOM 0 HB1 ALA A 122 114.632 -13.432 -9.126 1.00 0.00 H new ATOM 0 HB2 ALA A 122 115.960 -14.197 -10.031 1.00 0.00 H new ATOM 0 HB3 ALA A 122 116.044 -12.468 -9.619 1.00 0.00 H new ATOM 1655 N LEU A 123 112.562 -11.786 -11.049 1.00 0.00 N ATOM 1656 CA LEU A 123 111.673 -10.602 -10.866 1.00 0.00 C ATOM 1657 C LEU A 123 111.015 -10.722 -9.494 1.00 0.00 C ATOM 1658 O LEU A 123 110.758 -11.819 -9.038 1.00 0.00 O ATOM 1659 CB LEU A 123 110.632 -10.704 -11.984 1.00 0.00 C ATOM 1660 CG LEU A 123 109.766 -9.442 -11.992 1.00 0.00 C ATOM 1661 CD1 LEU A 123 110.557 -8.281 -12.600 1.00 0.00 C ATOM 1662 CD2 LEU A 123 108.508 -9.695 -12.828 1.00 0.00 C ATOM 0 H LEU A 123 112.073 -12.674 -11.158 1.00 0.00 H new ATOM 0 HA LEU A 123 112.197 -9.647 -10.913 1.00 0.00 H new ATOM 0 HB2 LEU A 123 111.128 -10.824 -12.947 1.00 0.00 H new ATOM 0 HB3 LEU A 123 110.008 -11.585 -11.835 1.00 0.00 H new ATOM 0 HG LEU A 123 109.482 -9.190 -10.970 1.00 0.00 H new ATOM 0 HD11 LEU A 123 109.939 -7.383 -12.605 1.00 0.00 H new ATOM 0 HD12 LEU A 123 111.453 -8.101 -12.007 1.00 0.00 H new ATOM 0 HD13 LEU A 123 110.842 -8.531 -13.622 1.00 0.00 H new ATOM 0 HD21 LEU A 123 107.889 -8.798 -12.835 1.00 0.00 H new ATOM 0 HD22 LEU A 123 108.794 -9.947 -13.849 1.00 0.00 H new ATOM 0 HD23 LEU A 123 107.944 -10.521 -12.395 1.00 0.00 H new ATOM 1673 N ASP A 124 110.741 -9.637 -8.811 1.00 0.00 N ATOM 1674 CA ASP A 124 110.107 -9.775 -7.464 1.00 0.00 C ATOM 1675 C ASP A 124 109.119 -8.637 -7.198 1.00 0.00 C ATOM 1676 O ASP A 124 109.344 -7.504 -7.575 1.00 0.00 O ATOM 1677 CB ASP A 124 111.274 -9.709 -6.476 1.00 0.00 C ATOM 1678 CG ASP A 124 110.775 -9.972 -5.048 1.00 0.00 C ATOM 1679 OD1 ASP A 124 109.585 -10.185 -4.878 1.00 0.00 O ATOM 1680 OD2 ASP A 124 111.597 -9.958 -4.147 1.00 0.00 O ATOM 0 H ASP A 124 110.924 -8.682 -9.119 1.00 0.00 H new ATOM 0 HA ASP A 124 109.538 -10.700 -7.378 1.00 0.00 H new ATOM 0 HB2 ASP A 124 112.031 -10.446 -6.746 1.00 0.00 H new ATOM 0 HB3 ASP A 124 111.749 -8.730 -6.528 1.00 0.00 H new ATOM 1684 N PHE A 125 108.036 -8.935 -6.528 1.00 0.00 N ATOM 1685 CA PHE A 125 107.035 -7.880 -6.201 1.00 0.00 C ATOM 1686 C PHE A 125 106.913 -7.771 -4.680 1.00 0.00 C ATOM 1687 O PHE A 125 106.970 -8.764 -3.982 1.00 0.00 O ATOM 1688 CB PHE A 125 105.721 -8.368 -6.815 1.00 0.00 C ATOM 1689 CG PHE A 125 105.873 -8.475 -8.314 1.00 0.00 C ATOM 1690 CD1 PHE A 125 105.665 -7.350 -9.120 1.00 0.00 C ATOM 1691 CD2 PHE A 125 106.221 -9.699 -8.896 1.00 0.00 C ATOM 1692 CE1 PHE A 125 105.806 -7.450 -10.510 1.00 0.00 C ATOM 1693 CE2 PHE A 125 106.361 -9.799 -10.286 1.00 0.00 C ATOM 1694 CZ PHE A 125 106.153 -8.674 -11.092 1.00 0.00 C ATOM 0 H PHE A 125 107.802 -9.869 -6.192 1.00 0.00 H new ATOM 0 HA PHE A 125 107.309 -6.898 -6.585 1.00 0.00 H new ATOM 0 HB2 PHE A 125 105.450 -9.337 -6.396 1.00 0.00 H new ATOM 0 HB3 PHE A 125 104.914 -7.678 -6.569 1.00 0.00 H new ATOM 0 HD1 PHE A 125 105.396 -6.405 -8.671 1.00 0.00 H new ATOM 0 HD2 PHE A 125 106.382 -10.567 -8.273 1.00 0.00 H new ATOM 0 HE1 PHE A 125 105.647 -6.582 -11.133 1.00 0.00 H new ATOM 0 HE2 PHE A 125 106.629 -10.744 -10.736 1.00 0.00 H new ATOM 0 HZ PHE A 125 106.260 -8.751 -12.164 1.00 0.00 H new ATOM 1703 N SER A 126 106.759 -6.584 -4.158 1.00 0.00 N ATOM 1704 CA SER A 126 106.653 -6.442 -2.677 1.00 0.00 C ATOM 1705 C SER A 126 105.505 -5.508 -2.290 1.00 0.00 C ATOM 1706 O SER A 126 105.292 -4.479 -2.901 1.00 0.00 O ATOM 1707 CB SER A 126 107.991 -5.842 -2.246 1.00 0.00 C ATOM 1708 OG SER A 126 108.062 -5.826 -0.825 1.00 0.00 O ATOM 0 H SER A 126 106.702 -5.714 -4.687 1.00 0.00 H new ATOM 0 HA SER A 126 106.447 -7.398 -2.195 1.00 0.00 H new ATOM 0 HB2 SER A 126 108.814 -6.427 -2.656 1.00 0.00 H new ATOM 0 HB3 SER A 126 108.092 -4.830 -2.638 1.00 0.00 H new ATOM 0 HG SER A 126 108.920 -5.443 -0.545 1.00 0.00 H new ATOM 1713 N TYR A 127 104.781 -5.856 -1.259 1.00 0.00 N ATOM 1714 CA TYR A 127 103.660 -4.990 -0.798 1.00 0.00 C ATOM 1715 C TYR A 127 103.943 -4.531 0.633 1.00 0.00 C ATOM 1716 O TYR A 127 103.930 -5.321 1.559 1.00 0.00 O ATOM 1717 CB TYR A 127 102.418 -5.883 -0.845 1.00 0.00 C ATOM 1718 CG TYR A 127 101.207 -5.093 -0.405 1.00 0.00 C ATOM 1719 CD1 TYR A 127 100.507 -4.308 -1.328 1.00 0.00 C ATOM 1720 CD2 TYR A 127 100.787 -5.146 0.930 1.00 0.00 C ATOM 1721 CE1 TYR A 127 99.386 -3.576 -0.918 1.00 0.00 C ATOM 1722 CE2 TYR A 127 99.667 -4.413 1.341 1.00 0.00 C ATOM 1723 CZ TYR A 127 98.967 -3.628 0.418 1.00 0.00 C ATOM 1724 OH TYR A 127 97.862 -2.907 0.823 1.00 0.00 O ATOM 0 H TYR A 127 104.920 -6.707 -0.715 1.00 0.00 H new ATOM 0 HA TYR A 127 103.530 -4.099 -1.412 1.00 0.00 H new ATOM 0 HB2 TYR A 127 102.269 -6.263 -1.856 1.00 0.00 H new ATOM 0 HB3 TYR A 127 102.555 -6.748 -0.196 1.00 0.00 H new ATOM 0 HD1 TYR A 127 100.832 -4.267 -2.357 1.00 0.00 H new ATOM 0 HD2 TYR A 127 101.327 -5.752 1.642 1.00 0.00 H new ATOM 0 HE1 TYR A 127 98.845 -2.972 -1.631 1.00 0.00 H new ATOM 0 HE2 TYR A 127 99.343 -4.453 2.371 1.00 0.00 H new ATOM 0 HH TYR A 127 97.707 -3.055 1.779 1.00 0.00 H new ATOM 1733 N GLU A 128 104.213 -3.267 0.817 1.00 0.00 N ATOM 1734 CA GLU A 128 104.513 -2.757 2.186 1.00 0.00 C ATOM 1735 C GLU A 128 103.900 -1.370 2.390 1.00 0.00 C ATOM 1736 O GLU A 128 103.867 -0.557 1.485 1.00 0.00 O ATOM 1737 CB GLU A 128 106.037 -2.679 2.247 1.00 0.00 C ATOM 1738 CG GLU A 128 106.477 -2.294 3.662 1.00 0.00 C ATOM 1739 CD GLU A 128 107.998 -2.095 3.703 1.00 0.00 C ATOM 1740 OE1 GLU A 128 108.623 -2.181 2.656 1.00 0.00 O ATOM 1741 OE2 GLU A 128 108.512 -1.855 4.782 1.00 0.00 O ATOM 0 H GLU A 128 104.239 -2.565 0.078 1.00 0.00 H new ATOM 0 HA GLU A 128 104.100 -3.400 2.963 1.00 0.00 H new ATOM 0 HB2 GLU A 128 106.471 -3.639 1.969 1.00 0.00 H new ATOM 0 HB3 GLU A 128 106.402 -1.944 1.529 1.00 0.00 H new ATOM 0 HG2 GLU A 128 105.974 -1.378 3.972 1.00 0.00 H new ATOM 0 HG3 GLU A 128 106.185 -3.072 4.367 1.00 0.00 H new ATOM 1746 N GLN A 129 103.425 -1.091 3.574 1.00 0.00 N ATOM 1747 CA GLN A 129 102.827 0.248 3.848 1.00 0.00 C ATOM 1748 C GLN A 129 103.302 0.758 5.212 1.00 0.00 C ATOM 1749 O GLN A 129 103.605 -0.017 6.097 1.00 0.00 O ATOM 1750 CB GLN A 129 101.312 0.017 3.845 1.00 0.00 C ATOM 1751 CG GLN A 129 100.936 -0.991 4.936 1.00 0.00 C ATOM 1752 CD GLN A 129 99.428 -1.249 4.894 1.00 0.00 C ATOM 1753 OE1 GLN A 129 98.658 -0.508 5.470 1.00 0.00 O ATOM 1754 NE2 GLN A 129 98.972 -2.275 4.229 1.00 0.00 N ATOM 0 H GLN A 129 103.425 -1.734 4.366 1.00 0.00 H new ATOM 0 HA GLN A 129 103.117 0.996 3.111 1.00 0.00 H new ATOM 0 HB2 GLN A 129 100.791 0.960 4.014 1.00 0.00 H new ATOM 0 HB3 GLN A 129 100.994 -0.353 2.870 1.00 0.00 H new ATOM 0 HG2 GLN A 129 101.480 -1.924 4.787 1.00 0.00 H new ATOM 0 HG3 GLN A 129 101.223 -0.607 5.915 1.00 0.00 H new ATOM 0 HE21 GLN A 129 99.619 -2.898 3.745 1.00 0.00 H new ATOM 0 HE22 GLN A 129 97.969 -2.454 4.193 1.00 0.00 H new ATOM 1761 N SER A 130 103.369 2.052 5.388 1.00 0.00 N ATOM 1762 CA SER A 130 103.828 2.605 6.697 1.00 0.00 C ATOM 1763 C SER A 130 102.802 3.600 7.244 1.00 0.00 C ATOM 1764 O SER A 130 102.251 4.399 6.510 1.00 0.00 O ATOM 1765 CB SER A 130 105.148 3.310 6.388 1.00 0.00 C ATOM 1766 OG SER A 130 105.735 3.759 7.603 1.00 0.00 O ATOM 0 H SER A 130 103.126 2.749 4.684 1.00 0.00 H new ATOM 0 HA SER A 130 103.947 1.829 7.453 1.00 0.00 H new ATOM 0 HB2 SER A 130 105.826 2.629 5.873 1.00 0.00 H new ATOM 0 HB3 SER A 130 104.975 4.154 5.720 1.00 0.00 H new ATOM 0 HG SER A 130 106.452 3.145 7.866 1.00 0.00 H new ATOM 1771 N ARG A 131 102.540 3.558 8.525 1.00 0.00 N ATOM 1772 CA ARG A 131 101.548 4.504 9.114 1.00 0.00 C ATOM 1773 C ARG A 131 102.054 5.081 10.439 1.00 0.00 C ATOM 1774 O ARG A 131 102.603 4.372 11.263 1.00 0.00 O ATOM 1775 CB ARG A 131 100.296 3.661 9.357 1.00 0.00 C ATOM 1776 CG ARG A 131 99.743 3.168 8.022 1.00 0.00 C ATOM 1777 CD ARG A 131 98.391 2.489 8.252 1.00 0.00 C ATOM 1778 NE ARG A 131 97.481 3.584 8.687 1.00 0.00 N ATOM 1779 CZ ARG A 131 96.413 3.311 9.386 1.00 0.00 C ATOM 1780 NH1 ARG A 131 95.671 2.287 9.069 1.00 0.00 N ATOM 1781 NH2 ARG A 131 96.088 4.063 10.401 1.00 0.00 N ATOM 0 H ARG A 131 102.969 2.911 9.186 1.00 0.00 H new ATOM 0 HA ARG A 131 101.363 5.352 8.454 1.00 0.00 H new ATOM 0 HB2 ARG A 131 100.535 2.813 9.998 1.00 0.00 H new ATOM 0 HB3 ARG A 131 99.543 4.252 9.878 1.00 0.00 H new ATOM 0 HG2 ARG A 131 99.630 4.004 7.332 1.00 0.00 H new ATOM 0 HG3 ARG A 131 100.441 2.468 7.563 1.00 0.00 H new ATOM 0 HD2 ARG A 131 98.028 2.012 7.341 1.00 0.00 H new ATOM 0 HD3 ARG A 131 98.464 1.711 9.012 1.00 0.00 H new ATOM 0 HE ARG A 131 97.693 4.550 8.438 1.00 0.00 H new ATOM 0 HH11 ARG A 131 95.925 1.699 8.275 1.00 0.00 H new ATOM 0 HH12 ARG A 131 94.836 2.073 9.615 1.00 0.00 H new ATOM 0 HH21 ARG A 131 96.668 4.864 10.648 1.00 0.00 H new ATOM 0 HH22 ARG A 131 95.253 3.850 10.947 1.00 0.00 H new ATOM 1792 N ILE A 132 101.868 6.361 10.650 1.00 0.00 N ATOM 1793 CA ILE A 132 102.323 6.976 11.923 1.00 0.00 C ATOM 1794 C ILE A 132 101.226 7.879 12.486 1.00 0.00 C ATOM 1795 O ILE A 132 101.402 9.072 12.606 1.00 0.00 O ATOM 1796 CB ILE A 132 103.581 7.780 11.576 1.00 0.00 C ATOM 1797 CG1 ILE A 132 104.175 8.366 12.863 1.00 0.00 C ATOM 1798 CG2 ILE A 132 103.235 8.912 10.603 1.00 0.00 C ATOM 1799 CD1 ILE A 132 104.859 7.256 13.664 1.00 0.00 C ATOM 0 H ILE A 132 101.421 7.001 9.993 1.00 0.00 H new ATOM 0 HA ILE A 132 102.540 6.228 12.686 1.00 0.00 H new ATOM 0 HB ILE A 132 104.309 7.122 11.101 1.00 0.00 H new ATOM 0 HG12 ILE A 132 104.894 9.149 12.620 1.00 0.00 H new ATOM 0 HG13 ILE A 132 103.389 8.828 13.461 1.00 0.00 H new ATOM 0 HG21 ILE A 132 104.137 9.475 10.365 1.00 0.00 H new ATOM 0 HG22 ILE A 132 102.818 8.491 9.688 1.00 0.00 H new ATOM 0 HG23 ILE A 132 102.503 9.576 11.063 1.00 0.00 H new ATOM 0 HD11 ILE A 132 105.281 7.674 14.578 1.00 0.00 H new ATOM 0 HD12 ILE A 132 104.128 6.488 13.919 1.00 0.00 H new ATOM 0 HD13 ILE A 132 105.656 6.814 13.066 1.00 0.00 H new ATOM 1810 N ARG A 133 100.099 7.305 12.834 1.00 0.00 N ATOM 1811 CA ARG A 133 98.957 8.085 13.415 1.00 0.00 C ATOM 1812 C ARG A 133 98.443 9.177 12.471 1.00 0.00 C ATOM 1813 O ARG A 133 97.281 9.192 12.110 1.00 0.00 O ATOM 1814 CB ARG A 133 99.496 8.709 14.707 1.00 0.00 C ATOM 1815 CG ARG A 133 99.834 7.603 15.708 1.00 0.00 C ATOM 1816 CD ARG A 133 100.328 8.229 17.015 1.00 0.00 C ATOM 1817 NE ARG A 133 99.157 8.977 17.552 1.00 0.00 N ATOM 1818 CZ ARG A 133 98.144 8.329 18.058 1.00 0.00 C ATOM 1819 NH1 ARG A 133 98.207 7.867 19.278 1.00 0.00 N ATOM 1820 NH2 ARG A 133 97.067 8.145 17.346 1.00 0.00 N ATOM 0 H ARG A 133 99.918 6.306 12.738 1.00 0.00 H new ATOM 0 HA ARG A 133 98.105 7.428 13.591 1.00 0.00 H new ATOM 0 HB2 ARG A 133 100.384 9.304 14.493 1.00 0.00 H new ATOM 0 HB3 ARG A 133 98.755 9.385 15.133 1.00 0.00 H new ATOM 0 HG2 ARG A 133 98.954 6.988 15.897 1.00 0.00 H new ATOM 0 HG3 ARG A 133 100.600 6.946 15.295 1.00 0.00 H new ATOM 0 HD2 ARG A 133 100.663 7.465 17.716 1.00 0.00 H new ATOM 0 HD3 ARG A 133 101.174 8.894 16.839 1.00 0.00 H new ATOM 0 HE ARG A 133 99.147 9.997 17.524 1.00 0.00 H new ATOM 0 HH11 ARG A 133 99.048 8.013 19.836 1.00 0.00 H new ATOM 0 HH12 ARG A 133 97.415 7.360 19.673 1.00 0.00 H new ATOM 0 HH21 ARG A 133 97.017 8.508 16.394 1.00 0.00 H new ATOM 0 HH22 ARG A 133 96.275 7.638 17.741 1.00 0.00 H new ATOM 1831 N SER A 134 99.277 10.104 12.094 1.00 0.00 N ATOM 1832 CA SER A 134 98.817 11.206 11.208 1.00 0.00 C ATOM 1833 C SER A 134 99.108 10.911 9.739 1.00 0.00 C ATOM 1834 O SER A 134 98.533 11.533 8.864 1.00 0.00 O ATOM 1835 CB SER A 134 99.606 12.430 11.669 1.00 0.00 C ATOM 1836 OG SER A 134 100.957 12.306 11.242 1.00 0.00 O ATOM 0 H SER A 134 100.260 10.145 12.362 1.00 0.00 H new ATOM 0 HA SER A 134 97.738 11.347 11.277 1.00 0.00 H new ATOM 0 HB2 SER A 134 99.164 13.338 11.258 1.00 0.00 H new ATOM 0 HB3 SER A 134 99.562 12.518 12.755 1.00 0.00 H new ATOM 0 HG SER A 134 101.466 13.091 11.535 1.00 0.00 H new ATOM 1841 N VAL A 135 100.002 9.998 9.438 1.00 0.00 N ATOM 1842 CA VAL A 135 100.303 9.734 7.992 1.00 0.00 C ATOM 1843 C VAL A 135 100.216 8.242 7.658 1.00 0.00 C ATOM 1844 O VAL A 135 100.739 7.405 8.365 1.00 0.00 O ATOM 1845 CB VAL A 135 101.732 10.245 7.782 1.00 0.00 C ATOM 1846 CG1 VAL A 135 102.120 10.094 6.309 1.00 0.00 C ATOM 1847 CG2 VAL A 135 101.813 11.725 8.173 1.00 0.00 C ATOM 0 H VAL A 135 100.525 9.437 10.110 1.00 0.00 H new ATOM 0 HA VAL A 135 99.582 10.230 7.342 1.00 0.00 H new ATOM 0 HB VAL A 135 102.414 9.664 8.403 1.00 0.00 H new ATOM 0 HG11 VAL A 135 103.137 10.458 6.161 1.00 0.00 H new ATOM 0 HG12 VAL A 135 102.066 9.043 6.024 1.00 0.00 H new ATOM 0 HG13 VAL A 135 101.434 10.673 5.691 1.00 0.00 H new ATOM 0 HG21 VAL A 135 102.830 12.086 8.023 1.00 0.00 H new ATOM 0 HG22 VAL A 135 101.128 12.303 7.553 1.00 0.00 H new ATOM 0 HG23 VAL A 135 101.539 11.840 9.222 1.00 0.00 H new ATOM 1857 N ASP A 136 99.566 7.915 6.569 1.00 0.00 N ATOM 1858 CA ASP A 136 99.444 6.487 6.156 1.00 0.00 C ATOM 1859 C ASP A 136 99.816 6.362 4.679 1.00 0.00 C ATOM 1860 O ASP A 136 99.116 6.863 3.821 1.00 0.00 O ATOM 1861 CB ASP A 136 97.967 6.140 6.372 1.00 0.00 C ATOM 1862 CG ASP A 136 97.690 4.686 5.964 1.00 0.00 C ATOM 1863 OD1 ASP A 136 98.575 4.060 5.402 1.00 0.00 O ATOM 1864 OD2 ASP A 136 96.592 4.222 6.224 1.00 0.00 O ATOM 0 H ASP A 136 99.112 8.582 5.945 1.00 0.00 H new ATOM 0 HA ASP A 136 100.099 5.821 6.718 1.00 0.00 H new ATOM 0 HB2 ASP A 136 97.702 6.287 7.419 1.00 0.00 H new ATOM 0 HB3 ASP A 136 97.340 6.813 5.788 1.00 0.00 H new ATOM 1868 N VAL A 137 100.911 5.716 4.363 1.00 0.00 N ATOM 1869 CA VAL A 137 101.322 5.584 2.931 1.00 0.00 C ATOM 1870 C VAL A 137 101.330 4.106 2.516 1.00 0.00 C ATOM 1871 O VAL A 137 101.666 3.237 3.299 1.00 0.00 O ATOM 1872 CB VAL A 137 102.756 6.137 2.868 1.00 0.00 C ATOM 1873 CG1 VAL A 137 103.194 6.235 1.405 1.00 0.00 C ATOM 1874 CG2 VAL A 137 102.837 7.527 3.520 1.00 0.00 C ATOM 0 H VAL A 137 101.538 5.274 5.035 1.00 0.00 H new ATOM 0 HA VAL A 137 100.640 6.114 2.266 1.00 0.00 H new ATOM 0 HB VAL A 137 103.415 5.461 3.413 1.00 0.00 H new ATOM 0 HG11 VAL A 137 104.210 6.627 1.355 1.00 0.00 H new ATOM 0 HG12 VAL A 137 103.164 5.245 0.949 1.00 0.00 H new ATOM 0 HG13 VAL A 137 102.521 6.903 0.868 1.00 0.00 H new ATOM 0 HG21 VAL A 137 103.861 7.897 3.463 1.00 0.00 H new ATOM 0 HG22 VAL A 137 102.173 8.214 2.995 1.00 0.00 H new ATOM 0 HG23 VAL A 137 102.534 7.457 4.565 1.00 0.00 H new ATOM 1884 N GLY A 138 100.979 3.819 1.290 1.00 0.00 N ATOM 1885 CA GLY A 138 100.981 2.403 0.814 1.00 0.00 C ATOM 1886 C GLY A 138 101.743 2.325 -0.513 1.00 0.00 C ATOM 1887 O GLY A 138 101.323 2.881 -1.509 1.00 0.00 O ATOM 0 H GLY A 138 100.690 4.507 0.595 1.00 0.00 H new ATOM 0 HA2 GLY A 138 101.450 1.757 1.556 1.00 0.00 H new ATOM 0 HA3 GLY A 138 99.959 2.048 0.683 1.00 0.00 H new ATOM 1890 N THR A 139 102.867 1.652 -0.533 1.00 0.00 N ATOM 1891 CA THR A 139 103.659 1.555 -1.797 1.00 0.00 C ATOM 1892 C THR A 139 104.227 0.142 -1.997 1.00 0.00 C ATOM 1893 O THR A 139 104.449 -0.590 -1.052 1.00 0.00 O ATOM 1894 CB THR A 139 104.788 2.580 -1.628 1.00 0.00 C ATOM 1895 OG1 THR A 139 105.513 2.689 -2.844 1.00 0.00 O ATOM 1896 CG2 THR A 139 105.732 2.148 -0.500 1.00 0.00 C ATOM 0 H THR A 139 103.269 1.167 0.269 1.00 0.00 H new ATOM 0 HA THR A 139 103.046 1.754 -2.676 1.00 0.00 H new ATOM 0 HB THR A 139 104.355 3.547 -1.372 1.00 0.00 H new ATOM 0 HG1 THR A 139 104.900 2.581 -3.601 1.00 0.00 H new ATOM 0 HG21 THR A 139 106.529 2.884 -0.390 1.00 0.00 H new ATOM 0 HG22 THR A 139 105.174 2.075 0.434 1.00 0.00 H new ATOM 0 HG23 THR A 139 106.165 1.177 -0.740 1.00 0.00 H new ATOM 1904 N TRP A 140 104.473 -0.232 -3.227 1.00 0.00 N ATOM 1905 CA TRP A 140 105.039 -1.586 -3.512 1.00 0.00 C ATOM 1906 C TRP A 140 106.309 -1.450 -4.363 1.00 0.00 C ATOM 1907 O TRP A 140 106.426 -0.552 -5.175 1.00 0.00 O ATOM 1908 CB TRP A 140 103.942 -2.335 -4.280 1.00 0.00 C ATOM 1909 CG TRP A 140 103.579 -1.586 -5.524 1.00 0.00 C ATOM 1910 CD1 TRP A 140 104.227 -1.685 -6.708 1.00 0.00 C ATOM 1911 CD2 TRP A 140 102.496 -0.632 -5.728 1.00 0.00 C ATOM 1912 NE1 TRP A 140 103.612 -0.852 -7.624 1.00 0.00 N ATOM 1913 CE2 TRP A 140 102.539 -0.182 -7.069 1.00 0.00 C ATOM 1914 CE3 TRP A 140 101.491 -0.120 -4.888 1.00 0.00 C ATOM 1915 CZ2 TRP A 140 101.618 0.744 -7.559 1.00 0.00 C ATOM 1916 CZ3 TRP A 140 100.562 0.813 -5.378 1.00 0.00 C ATOM 1917 CH2 TRP A 140 100.625 1.243 -6.710 1.00 0.00 C ATOM 0 H TRP A 140 104.305 0.346 -4.051 1.00 0.00 H new ATOM 0 HA TRP A 140 105.319 -2.118 -2.603 1.00 0.00 H new ATOM 0 HB2 TRP A 140 104.287 -3.336 -4.537 1.00 0.00 H new ATOM 0 HB3 TRP A 140 103.062 -2.454 -3.648 1.00 0.00 H new ATOM 0 HD1 TRP A 140 105.084 -2.312 -6.905 1.00 0.00 H new ATOM 0 HE1 TRP A 140 103.914 -0.745 -8.592 1.00 0.00 H new ATOM 0 HE3 TRP A 140 101.433 -0.446 -3.860 1.00 0.00 H new ATOM 0 HZ2 TRP A 140 101.671 1.073 -8.586 1.00 0.00 H new ATOM 0 HZ3 TRP A 140 99.795 1.201 -4.724 1.00 0.00 H new ATOM 0 HH2 TRP A 140 99.907 1.959 -7.081 1.00 0.00 H new ATOM 1927 N ILE A 141 107.263 -2.326 -4.175 1.00 0.00 N ATOM 1928 CA ILE A 141 108.531 -2.239 -4.964 1.00 0.00 C ATOM 1929 C ILE A 141 108.652 -3.426 -5.926 1.00 0.00 C ATOM 1930 O ILE A 141 108.305 -4.541 -5.591 1.00 0.00 O ATOM 1931 CB ILE A 141 109.655 -2.289 -3.923 1.00 0.00 C ATOM 1932 CG1 ILE A 141 109.474 -1.156 -2.906 1.00 0.00 C ATOM 1933 CG2 ILE A 141 111.012 -2.138 -4.622 1.00 0.00 C ATOM 1934 CD1 ILE A 141 110.501 -1.309 -1.781 1.00 0.00 C ATOM 0 H ILE A 141 107.220 -3.098 -3.510 1.00 0.00 H new ATOM 0 HA ILE A 141 108.568 -1.334 -5.570 1.00 0.00 H new ATOM 0 HB ILE A 141 109.618 -3.247 -3.404 1.00 0.00 H new ATOM 0 HG12 ILE A 141 109.597 -0.190 -3.396 1.00 0.00 H new ATOM 0 HG13 ILE A 141 108.464 -1.179 -2.496 1.00 0.00 H new ATOM 0 HG21 ILE A 141 111.810 -2.174 -3.880 1.00 0.00 H new ATOM 0 HG22 ILE A 141 111.145 -2.950 -5.337 1.00 0.00 H new ATOM 0 HG23 ILE A 141 111.047 -1.183 -5.146 1.00 0.00 H new ATOM 0 HD11 ILE A 141 110.372 -0.503 -1.058 1.00 0.00 H new ATOM 0 HD12 ILE A 141 110.356 -2.268 -1.284 1.00 0.00 H new ATOM 0 HD13 ILE A 141 111.507 -1.264 -2.198 1.00 0.00 H new ATOM 1945 N ALA A 142 109.151 -3.194 -7.115 1.00 0.00 N ATOM 1946 CA ALA A 142 109.304 -4.315 -8.093 1.00 0.00 C ATOM 1947 C ALA A 142 110.569 -4.106 -8.932 1.00 0.00 C ATOM 1948 O ALA A 142 110.933 -2.988 -9.242 1.00 0.00 O ATOM 1949 CB ALA A 142 108.054 -4.248 -8.975 1.00 0.00 C ATOM 0 H ALA A 142 109.458 -2.281 -7.450 1.00 0.00 H new ATOM 0 HA ALA A 142 109.401 -5.284 -7.604 1.00 0.00 H new ATOM 0 HB1 ALA A 142 108.092 -5.042 -9.721 1.00 0.00 H new ATOM 0 HB2 ALA A 142 107.165 -4.373 -8.357 1.00 0.00 H new ATOM 0 HB3 ALA A 142 108.014 -3.281 -9.476 1.00 0.00 H new ATOM 1955 N GLY A 143 111.245 -5.169 -9.296 1.00 0.00 N ATOM 1956 CA GLY A 143 112.487 -5.000 -10.107 1.00 0.00 C ATOM 1957 C GLY A 143 113.100 -6.351 -10.494 1.00 0.00 C ATOM 1958 O GLY A 143 112.410 -7.290 -10.849 1.00 0.00 O ATOM 0 H GLY A 143 110.994 -6.131 -9.070 1.00 0.00 H new ATOM 0 HA2 GLY A 143 112.258 -4.433 -11.009 1.00 0.00 H new ATOM 0 HA3 GLY A 143 113.215 -4.419 -9.541 1.00 0.00 H new ATOM 1961 N VAL A 144 114.406 -6.433 -10.431 1.00 0.00 N ATOM 1962 CA VAL A 144 115.113 -7.696 -10.811 1.00 0.00 C ATOM 1963 C VAL A 144 115.801 -8.322 -9.595 1.00 0.00 C ATOM 1964 O VAL A 144 115.780 -7.774 -8.511 1.00 0.00 O ATOM 1965 CB VAL A 144 116.149 -7.275 -11.858 1.00 0.00 C ATOM 1966 CG1 VAL A 144 115.431 -6.697 -13.080 1.00 0.00 C ATOM 1967 CG2 VAL A 144 117.085 -6.213 -11.272 1.00 0.00 C ATOM 0 H VAL A 144 115.017 -5.674 -10.130 1.00 0.00 H new ATOM 0 HA VAL A 144 114.423 -8.446 -11.196 1.00 0.00 H new ATOM 0 HB VAL A 144 116.734 -8.147 -12.151 1.00 0.00 H new ATOM 0 HG11 VAL A 144 116.167 -6.397 -13.826 1.00 0.00 H new ATOM 0 HG12 VAL A 144 114.771 -7.453 -13.505 1.00 0.00 H new ATOM 0 HG13 VAL A 144 114.844 -5.829 -12.780 1.00 0.00 H new ATOM 0 HG21 VAL A 144 117.818 -5.920 -12.023 1.00 0.00 H new ATOM 0 HG22 VAL A 144 116.504 -5.341 -10.972 1.00 0.00 H new ATOM 0 HG23 VAL A 144 117.600 -6.622 -10.403 1.00 0.00 H new ATOM 1977 N GLY A 145 116.407 -9.472 -9.770 1.00 0.00 N ATOM 1978 CA GLY A 145 117.087 -10.130 -8.618 1.00 0.00 C ATOM 1979 C GLY A 145 118.077 -11.200 -9.092 1.00 0.00 C ATOM 1980 O GLY A 145 117.846 -11.897 -10.060 1.00 0.00 O ATOM 0 H GLY A 145 116.458 -9.977 -10.655 1.00 0.00 H new ATOM 0 HA2 GLY A 145 117.614 -9.380 -8.028 1.00 0.00 H new ATOM 0 HA3 GLY A 145 116.342 -10.585 -7.965 1.00 0.00 H new ATOM 1983 N TYR A 146 119.175 -11.334 -8.390 1.00 0.00 N ATOM 1984 CA TYR A 146 120.201 -12.360 -8.749 1.00 0.00 C ATOM 1985 C TYR A 146 120.562 -13.174 -7.499 1.00 0.00 C ATOM 1986 O TYR A 146 120.375 -12.722 -6.386 1.00 0.00 O ATOM 1987 CB TYR A 146 121.413 -11.567 -9.246 1.00 0.00 C ATOM 1988 CG TYR A 146 121.020 -10.736 -10.445 1.00 0.00 C ATOM 1989 CD1 TYR A 146 120.917 -11.333 -11.708 1.00 0.00 C ATOM 1990 CD2 TYR A 146 120.761 -9.368 -10.294 1.00 0.00 C ATOM 1991 CE1 TYR A 146 120.554 -10.562 -12.819 1.00 0.00 C ATOM 1992 CE2 TYR A 146 120.398 -8.598 -11.404 1.00 0.00 C ATOM 1993 CZ TYR A 146 120.294 -9.194 -12.667 1.00 0.00 C ATOM 1994 OH TYR A 146 119.937 -8.434 -13.762 1.00 0.00 O ATOM 0 H TYR A 146 119.406 -10.769 -7.573 1.00 0.00 H new ATOM 0 HA TYR A 146 119.848 -13.059 -9.507 1.00 0.00 H new ATOM 0 HB2 TYR A 146 121.789 -10.922 -8.452 1.00 0.00 H new ATOM 0 HB3 TYR A 146 122.221 -12.248 -9.512 1.00 0.00 H new ATOM 0 HD1 TYR A 146 121.118 -12.388 -11.825 1.00 0.00 H new ATOM 0 HD2 TYR A 146 120.842 -8.907 -9.320 1.00 0.00 H new ATOM 0 HE1 TYR A 146 120.474 -11.022 -13.793 1.00 0.00 H new ATOM 0 HE2 TYR A 146 120.198 -7.543 -11.287 1.00 0.00 H new ATOM 0 HH TYR A 146 119.791 -7.506 -13.483 1.00 0.00 H new ATOM 2003 N ARG A 147 121.072 -14.369 -7.667 1.00 0.00 N ATOM 2004 CA ARG A 147 121.433 -15.196 -6.473 1.00 0.00 C ATOM 2005 C ARG A 147 122.909 -15.609 -6.509 1.00 0.00 C ATOM 2006 O ARG A 147 123.370 -16.225 -7.450 1.00 0.00 O ATOM 2007 CB ARG A 147 120.531 -16.428 -6.560 1.00 0.00 C ATOM 2008 CG ARG A 147 119.069 -16.001 -6.418 1.00 0.00 C ATOM 2009 CD ARG A 147 118.176 -17.242 -6.384 1.00 0.00 C ATOM 2010 NE ARG A 147 118.450 -17.875 -5.064 1.00 0.00 N ATOM 2011 CZ ARG A 147 119.193 -18.945 -4.996 1.00 0.00 C ATOM 2012 NH1 ARG A 147 118.961 -19.952 -5.792 1.00 0.00 N ATOM 2013 NH2 ARG A 147 120.168 -19.010 -4.131 1.00 0.00 N ATOM 0 H ARG A 147 121.253 -14.805 -8.571 1.00 0.00 H new ATOM 0 HA ARG A 147 121.294 -14.643 -5.544 1.00 0.00 H new ATOM 0 HB2 ARG A 147 120.682 -16.936 -7.513 1.00 0.00 H new ATOM 0 HB3 ARG A 147 120.791 -17.139 -5.775 1.00 0.00 H new ATOM 0 HG2 ARG A 147 118.936 -15.419 -5.506 1.00 0.00 H new ATOM 0 HG3 ARG A 147 118.784 -15.358 -7.251 1.00 0.00 H new ATOM 0 HD2 ARG A 147 117.124 -16.975 -6.483 1.00 0.00 H new ATOM 0 HD3 ARG A 147 118.411 -17.921 -7.204 1.00 0.00 H new ATOM 0 HE ARG A 147 118.057 -17.472 -4.213 1.00 0.00 H new ATOM 0 HH11 ARG A 147 118.199 -19.903 -6.468 1.00 0.00 H new ATOM 0 HH12 ARG A 147 119.542 -20.789 -5.739 1.00 0.00 H new ATOM 0 HH21 ARG A 147 120.350 -18.224 -3.507 1.00 0.00 H new ATOM 0 HH22 ARG A 147 120.748 -19.847 -4.079 1.00 0.00 H new ATOM 2024 N PHE A 148 123.654 -15.267 -5.482 1.00 0.00 N ATOM 2025 CA PHE A 148 125.107 -15.628 -5.436 1.00 0.00 C ATOM 2026 C PHE A 148 125.823 -15.136 -6.699 1.00 0.00 C ATOM 2027 CB PHE A 148 125.146 -17.157 -5.356 1.00 0.00 C ATOM 2028 CG PHE A 148 126.575 -17.616 -5.194 1.00 0.00 C ATOM 2029 CD1 PHE A 148 127.144 -17.695 -3.917 1.00 0.00 C ATOM 2030 CD2 PHE A 148 127.331 -17.962 -6.320 1.00 0.00 C ATOM 2031 CE1 PHE A 148 128.469 -18.119 -3.766 1.00 0.00 C ATOM 2032 CE2 PHE A 148 128.657 -18.387 -6.170 1.00 0.00 C ATOM 2033 CZ PHE A 148 129.226 -18.465 -4.893 1.00 0.00 C ATOM 0 H PHE A 148 123.315 -14.751 -4.670 1.00 0.00 H new ATOM 0 HA PHE A 148 125.612 -15.167 -4.587 1.00 0.00 H new ATOM 0 HB2 PHE A 148 124.544 -17.503 -4.516 1.00 0.00 H new ATOM 0 HB3 PHE A 148 124.714 -17.590 -6.258 1.00 0.00 H new ATOM 0 HD1 PHE A 148 126.560 -17.429 -3.048 1.00 0.00 H new ATOM 0 HD2 PHE A 148 126.892 -17.901 -7.305 1.00 0.00 H new ATOM 0 HE1 PHE A 148 128.908 -18.179 -2.781 1.00 0.00 H new ATOM 0 HE2 PHE A 148 129.240 -18.654 -7.039 1.00 0.00 H new ATOM 0 HZ PHE A 148 130.249 -18.792 -4.777 1.00 0.00 H new