USER MOD reduce.3.24.130724 H: found=0, std=0, add=1130, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 1130 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 58 ASN : amide:sc= -1.31 K(o=-1.3,f=-2.3!) USER MOD Set 1.2: A 90 TYR OH : rot 180:sc= 0 USER MOD Set 1.3: A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 66 MET CE :methyl -113:sc= -10.1! (180deg=-10.9!) USER MOD Set 2.2: A 69 TYR OH : rot -47:sc= -1.02 USER MOD Set 3.1: A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 105 ASN : amide:sc= -0.0159 K(o=-0.016,f=-1.2) USER MOD Single : A 1 MET N :NH3+ -161:sc=-0.00746 (180deg=-0.249) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 CYS SG : rot -175:sc= -3.17! USER MOD Single : A 15 GLN : amide:sc= -0.0993 K(o=-0.099,f=-0.77) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot -75:sc= 1.14 USER MOD Single : A 21 GLN : amide:sc= -1.99 K(o=-2,f=-0.76) USER MOD Single : A 23 SER OG : rot 76:sc= 1.08 USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=-0.054) USER MOD Single : A 25 ASN : amide:sc= -0.742 X(o=-0.74,f=-0.71) USER MOD Single : A 32 TYR OH : rot 70:sc= -3.07 USER MOD Single : A 33 GLN : amide:sc= -0.298 K(o=-0.3,f=-2.6!) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00157) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot -67:sc= 0.768 USER MOD Single : A 59 THR OG1 : rot -68:sc= 0.995 USER MOD Single : A 61 TYR OH : rot 110:sc= -2.69! USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= -10.6! C(o=-11!,f=-6.9!) USER MOD Single : A 82 LYS NZ :NH3+ 176:sc= -4.3! (180deg=-4.37!) USER MOD Single : A 93 SER OG : rot -140:sc= -3.49! USER MOD Single : A 96 SER OG : rot 180:sc= -0.0287 USER MOD Single : A 100 TYR OH : rot -175:sc= 0.373 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 LYS NZ :NH3+ 178:sc= 0.298 (180deg=0.295) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 180:sc= -0.189 USER MOD Single : A 120 HIS : no HD1:sc= -1.53! C(o=-1.5!,f=-2.4!) USER MOD Single : A 121 LYS NZ :NH3+ -156:sc= -0.0144 (180deg=-0.482) USER MOD Single : A 124 ASN : amide:sc= -8.36! C(o=-8.4!,f=-11!) USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 137 ASN : amide:sc= -2.68! C(o=-2.7!,f=-1.6!) USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 139 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 110.628 6.436 -13.586 1.00 0.00 N ATOM 2 CA MET A 1 110.329 6.091 -15.001 1.00 0.00 C ATOM 3 C MET A 1 111.410 6.622 -15.938 1.00 0.00 C ATOM 4 O MET A 1 111.477 7.823 -16.205 1.00 0.00 O ATOM 5 CB MET A 1 108.970 6.685 -15.371 1.00 0.00 C ATOM 6 CG MET A 1 107.796 5.976 -14.715 1.00 0.00 C ATOM 7 SD MET A 1 107.368 4.433 -15.545 1.00 0.00 S ATOM 8 CE MET A 1 106.088 3.809 -14.459 1.00 0.00 C ATOM 0 H1 MET A 1 110.084 5.814 -12.955 1.00 0.00 H new ATOM 0 H2 MET A 1 111.644 6.309 -13.405 1.00 0.00 H new ATOM 0 H3 MET A 1 110.366 7.426 -13.407 1.00 0.00 H new ATOM 0 HA MET A 1 110.306 5.007 -15.108 1.00 0.00 H new ATOM 0 HB2 MET A 1 108.953 7.737 -15.086 1.00 0.00 H new ATOM 0 HB3 MET A 1 108.848 6.646 -16.453 1.00 0.00 H new ATOM 0 HG2 MET A 1 108.038 5.769 -13.672 1.00 0.00 H new ATOM 0 HG3 MET A 1 106.930 6.638 -14.716 1.00 0.00 H new ATOM 0 HE1 MET A 1 105.721 2.856 -14.840 1.00 0.00 H new ATOM 0 HE2 MET A 1 106.497 3.667 -13.459 1.00 0.00 H new ATOM 0 HE3 MET A 1 105.266 4.524 -14.417 1.00 0.00 H new ATOM 20 N LYS A 2 112.252 5.722 -16.434 1.00 0.00 N ATOM 21 CA LYS A 2 113.328 6.100 -17.341 1.00 0.00 C ATOM 22 C LYS A 2 113.572 5.010 -18.381 1.00 0.00 C ATOM 23 O LYS A 2 113.300 3.835 -18.139 1.00 0.00 O ATOM 24 CB LYS A 2 114.614 6.369 -16.557 1.00 0.00 C ATOM 25 CG LYS A 2 114.518 7.566 -15.625 1.00 0.00 C ATOM 26 CD LYS A 2 115.242 8.775 -16.195 1.00 0.00 C ATOM 27 CE LYS A 2 116.491 9.105 -15.393 1.00 0.00 C ATOM 28 NZ LYS A 2 116.938 10.508 -15.614 1.00 0.00 N ATOM 0 H LYS A 2 112.210 4.725 -16.223 1.00 0.00 H new ATOM 0 HA LYS A 2 113.029 7.011 -17.859 1.00 0.00 H new ATOM 0 HB2 LYS A 2 114.866 5.484 -15.973 1.00 0.00 H new ATOM 0 HB3 LYS A 2 115.431 6.531 -17.260 1.00 0.00 H new ATOM 0 HG2 LYS A 2 113.470 7.814 -15.456 1.00 0.00 H new ATOM 0 HG3 LYS A 2 114.945 7.309 -14.655 1.00 0.00 H new ATOM 0 HD2 LYS A 2 115.515 8.581 -17.232 1.00 0.00 H new ATOM 0 HD3 LYS A 2 114.572 9.635 -16.197 1.00 0.00 H new ATOM 0 HE2 LYS A 2 116.293 8.950 -14.332 1.00 0.00 H new ATOM 0 HE3 LYS A 2 117.292 8.421 -15.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 117.792 10.693 -15.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 117.152 10.650 -16.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 116.183 11.162 -15.325 1.00 0.00 H new ATOM 42 N PRO A 3 114.092 5.393 -19.556 1.00 0.00 N ATOM 43 CA PRO A 3 114.378 4.455 -20.646 1.00 0.00 C ATOM 44 C PRO A 3 115.412 3.406 -20.250 1.00 0.00 C ATOM 45 O PRO A 3 115.594 2.407 -20.944 1.00 0.00 O ATOM 46 CB PRO A 3 114.929 5.359 -21.756 1.00 0.00 C ATOM 47 CG PRO A 3 115.403 6.580 -21.051 1.00 0.00 C ATOM 48 CD PRO A 3 114.443 6.774 -19.920 1.00 0.00 C ATOM 0 HA PRO A 3 113.495 3.887 -20.939 1.00 0.00 H new ATOM 0 HB2 PRO A 3 115.742 4.873 -22.295 1.00 0.00 H new ATOM 0 HB3 PRO A 3 114.159 5.599 -22.489 1.00 0.00 H new ATOM 0 HG2 PRO A 3 116.422 6.454 -20.686 1.00 0.00 H new ATOM 0 HG3 PRO A 3 115.408 7.443 -21.717 1.00 0.00 H new ATOM 0 HD2 PRO A 3 114.900 7.309 -19.088 1.00 0.00 H new ATOM 0 HD3 PRO A 3 113.568 7.348 -20.225 1.00 0.00 H new ATOM 56 N ALA A 4 116.086 3.642 -19.129 1.00 0.00 N ATOM 57 CA ALA A 4 117.102 2.717 -18.640 1.00 0.00 C ATOM 58 C ALA A 4 117.592 3.123 -17.255 1.00 0.00 C ATOM 59 O ALA A 4 118.702 3.634 -17.104 1.00 0.00 O ATOM 60 CB ALA A 4 118.266 2.649 -19.616 1.00 0.00 C ATOM 0 H ALA A 4 115.947 4.465 -18.543 1.00 0.00 H new ATOM 0 HA ALA A 4 116.651 1.728 -18.561 1.00 0.00 H new ATOM 0 HB1 ALA A 4 119.017 1.955 -19.239 1.00 0.00 H new ATOM 0 HB2 ALA A 4 117.908 2.304 -20.586 1.00 0.00 H new ATOM 0 HB3 ALA A 4 118.709 3.639 -19.724 1.00 0.00 H new ATOM 66 N ALA A 5 116.759 2.892 -16.246 1.00 0.00 N ATOM 67 CA ALA A 5 117.108 3.234 -14.872 1.00 0.00 C ATOM 68 C ALA A 5 118.567 2.904 -14.579 1.00 0.00 C ATOM 69 O ALA A 5 119.218 2.189 -15.342 1.00 0.00 O ATOM 70 CB ALA A 5 116.194 2.505 -13.899 1.00 0.00 C ATOM 0 H ALA A 5 115.837 2.469 -16.354 1.00 0.00 H new ATOM 0 HA ALA A 5 116.973 4.308 -14.745 1.00 0.00 H new ATOM 0 HB1 ALA A 5 116.466 2.769 -12.877 1.00 0.00 H new ATOM 0 HB2 ALA A 5 115.160 2.793 -14.086 1.00 0.00 H new ATOM 0 HB3 ALA A 5 116.301 1.429 -14.036 1.00 0.00 H new ATOM 76 N ARG A 6 119.076 3.428 -13.469 1.00 0.00 N ATOM 77 CA ARG A 6 120.460 3.188 -13.075 1.00 0.00 C ATOM 78 C ARG A 6 120.562 2.930 -11.575 1.00 0.00 C ATOM 79 O ARG A 6 119.940 3.624 -10.772 1.00 0.00 O ATOM 80 CB ARG A 6 121.335 4.383 -13.459 1.00 0.00 C ATOM 81 CG ARG A 6 122.714 3.988 -13.961 1.00 0.00 C ATOM 82 CD ARG A 6 122.951 4.475 -15.382 1.00 0.00 C ATOM 83 NE ARG A 6 124.224 5.180 -15.514 1.00 0.00 N ATOM 84 CZ ARG A 6 124.445 6.397 -15.030 1.00 0.00 C ATOM 85 NH1 ARG A 6 123.482 7.042 -14.385 1.00 0.00 N ATOM 86 NH2 ARG A 6 125.629 6.971 -15.190 1.00 0.00 N ATOM 0 H ARG A 6 118.551 4.021 -12.826 1.00 0.00 H new ATOM 0 HA ARG A 6 120.814 2.302 -13.602 1.00 0.00 H new ATOM 0 HB2 ARG A 6 120.828 4.961 -14.231 1.00 0.00 H new ATOM 0 HB3 ARG A 6 121.445 5.036 -12.593 1.00 0.00 H new ATOM 0 HG2 ARG A 6 123.475 4.404 -13.301 1.00 0.00 H new ATOM 0 HG3 ARG A 6 122.819 2.904 -13.925 1.00 0.00 H new ATOM 0 HD2 ARG A 6 122.935 3.625 -16.064 1.00 0.00 H new ATOM 0 HD3 ARG A 6 122.137 5.137 -15.679 1.00 0.00 H new ATOM 0 HE ARG A 6 124.985 4.711 -16.005 1.00 0.00 H new ATOM 0 HH11 ARG A 6 122.570 6.603 -14.260 1.00 0.00 H new ATOM 0 HH12 ARG A 6 123.654 7.977 -14.014 1.00 0.00 H new ATOM 0 HH21 ARG A 6 126.372 6.478 -15.685 1.00 0.00 H new ATOM 0 HH22 ARG A 6 125.797 7.906 -14.818 1.00 0.00 H new ATOM 100 N ARG A 7 121.351 1.926 -11.206 1.00 0.00 N ATOM 101 CA ARG A 7 121.537 1.575 -9.803 1.00 0.00 C ATOM 102 C ARG A 7 120.198 1.285 -9.132 1.00 0.00 C ATOM 103 O ARG A 7 119.420 2.198 -8.856 1.00 0.00 O ATOM 104 CB ARG A 7 122.257 2.705 -9.065 1.00 0.00 C ATOM 105 CG ARG A 7 123.767 2.539 -9.025 1.00 0.00 C ATOM 106 CD ARG A 7 124.480 3.823 -9.415 1.00 0.00 C ATOM 107 NE ARG A 7 124.062 4.953 -8.590 1.00 0.00 N ATOM 108 CZ ARG A 7 124.453 5.131 -7.332 1.00 0.00 C ATOM 109 NH1 ARG A 7 125.269 4.256 -6.760 1.00 0.00 N ATOM 110 NH2 ARG A 7 124.030 6.183 -6.646 1.00 0.00 N ATOM 0 H ARG A 7 121.872 1.341 -11.859 1.00 0.00 H new ATOM 0 HA ARG A 7 122.148 0.673 -9.757 1.00 0.00 H new ATOM 0 HB2 ARG A 7 122.017 3.653 -9.546 1.00 0.00 H new ATOM 0 HB3 ARG A 7 121.879 2.760 -8.044 1.00 0.00 H new ATOM 0 HG2 ARG A 7 124.075 2.241 -8.023 1.00 0.00 H new ATOM 0 HG3 ARG A 7 124.064 1.737 -9.701 1.00 0.00 H new ATOM 0 HD2 ARG A 7 125.557 3.683 -9.320 1.00 0.00 H new ATOM 0 HD3 ARG A 7 124.279 4.045 -10.463 1.00 0.00 H new ATOM 0 HE ARG A 7 123.435 5.644 -9.002 1.00 0.00 H new ATOM 0 HH11 ARG A 7 125.597 3.446 -7.285 1.00 0.00 H new ATOM 0 HH12 ARG A 7 125.569 4.393 -5.795 1.00 0.00 H new ATOM 0 HH21 ARG A 7 123.403 6.858 -7.083 1.00 0.00 H new ATOM 0 HH22 ARG A 7 124.331 6.317 -5.681 1.00 0.00 H new ATOM 124 N ARG A 8 119.938 0.009 -8.871 1.00 0.00 N ATOM 125 CA ARG A 8 118.694 -0.403 -8.230 1.00 0.00 C ATOM 126 C ARG A 8 118.793 -0.268 -6.714 1.00 0.00 C ATOM 127 O ARG A 8 117.783 -0.047 -6.042 1.00 0.00 O ATOM 128 CB ARG A 8 118.358 -1.848 -8.604 1.00 0.00 C ATOM 129 CG ARG A 8 116.908 -2.224 -8.343 1.00 0.00 C ATOM 130 CD ARG A 8 116.636 -3.675 -8.704 1.00 0.00 C ATOM 131 NE ARG A 8 116.620 -3.886 -10.149 1.00 0.00 N ATOM 132 CZ ARG A 8 116.414 -5.069 -10.718 1.00 0.00 C ATOM 133 NH1 ARG A 8 116.208 -6.142 -9.966 1.00 0.00 N ATOM 134 NH2 ARG A 8 116.415 -5.182 -12.039 1.00 0.00 N ATOM 0 H ARG A 8 120.572 -0.759 -9.093 1.00 0.00 H new ATOM 0 HA ARG A 8 117.897 0.251 -8.584 1.00 0.00 H new ATOM 0 HB2 ARG A 8 118.580 -2.002 -9.660 1.00 0.00 H new ATOM 0 HB3 ARG A 8 119.006 -2.520 -8.041 1.00 0.00 H new ATOM 0 HG2 ARG A 8 116.672 -2.059 -7.292 1.00 0.00 H new ATOM 0 HG3 ARG A 8 116.252 -1.574 -8.923 1.00 0.00 H new ATOM 0 HD2 ARG A 8 117.399 -4.310 -8.253 1.00 0.00 H new ATOM 0 HD3 ARG A 8 115.678 -3.980 -8.283 1.00 0.00 H new ATOM 0 HE ARG A 8 116.776 -3.081 -10.755 1.00 0.00 H new ATOM 0 HH11 ARG A 8 116.208 -6.060 -8.949 1.00 0.00 H new ATOM 0 HH12 ARG A 8 116.050 -7.049 -10.404 1.00 0.00 H new ATOM 0 HH21 ARG A 8 116.574 -4.360 -12.621 1.00 0.00 H new ATOM 0 HH22 ARG A 8 116.257 -6.091 -12.473 1.00 0.00 H new ATOM 148 N ALA A 9 120.023 -0.402 -6.200 1.00 0.00 N ATOM 149 CA ALA A 9 120.311 -0.302 -4.765 1.00 0.00 C ATOM 150 C ALA A 9 119.051 -0.081 -3.932 1.00 0.00 C ATOM 151 O ALA A 9 118.570 -0.996 -3.267 1.00 0.00 O ATOM 152 CB ALA A 9 121.320 0.814 -4.510 1.00 0.00 C ATOM 0 H ALA A 9 120.849 -0.583 -6.771 1.00 0.00 H new ATOM 0 HA ALA A 9 120.736 -1.255 -4.452 1.00 0.00 H new ATOM 0 HB1 ALA A 9 121.527 0.880 -3.442 1.00 0.00 H new ATOM 0 HB2 ALA A 9 122.244 0.598 -5.046 1.00 0.00 H new ATOM 0 HB3 ALA A 9 120.910 1.762 -4.860 1.00 0.00 H new ATOM 158 N ARG A 10 118.523 1.138 -3.976 1.00 0.00 N ATOM 159 CA ARG A 10 117.321 1.483 -3.223 1.00 0.00 C ATOM 160 C ARG A 10 116.365 0.299 -3.131 1.00 0.00 C ATOM 161 O ARG A 10 116.275 -0.360 -2.095 1.00 0.00 O ATOM 162 CB ARG A 10 116.610 2.677 -3.865 1.00 0.00 C ATOM 163 CG ARG A 10 116.924 2.860 -5.342 1.00 0.00 C ATOM 164 CD ARG A 10 117.762 4.104 -5.584 1.00 0.00 C ATOM 165 NE ARG A 10 116.935 5.291 -5.783 1.00 0.00 N ATOM 166 CZ ARG A 10 116.130 5.460 -6.827 1.00 0.00 C ATOM 167 NH1 ARG A 10 116.046 4.522 -7.761 1.00 0.00 N ATOM 168 NH2 ARG A 10 115.408 6.567 -6.937 1.00 0.00 N ATOM 0 H ARG A 10 118.909 1.905 -4.526 1.00 0.00 H new ATOM 0 HA ARG A 10 117.630 1.752 -2.213 1.00 0.00 H new ATOM 0 HB2 ARG A 10 115.534 2.554 -3.745 1.00 0.00 H new ATOM 0 HB3 ARG A 10 116.889 3.584 -3.329 1.00 0.00 H new ATOM 0 HG2 ARG A 10 117.456 1.984 -5.713 1.00 0.00 H new ATOM 0 HG3 ARG A 10 115.994 2.931 -5.906 1.00 0.00 H new ATOM 0 HD2 ARG A 10 118.427 4.264 -4.735 1.00 0.00 H new ATOM 0 HD3 ARG A 10 118.393 3.951 -6.459 1.00 0.00 H new ATOM 0 HE ARG A 10 116.977 6.031 -5.082 1.00 0.00 H new ATOM 0 HH11 ARG A 10 116.600 3.669 -7.679 1.00 0.00 H new ATOM 0 HH12 ARG A 10 115.428 4.653 -8.562 1.00 0.00 H new ATOM 0 HH21 ARG A 10 115.470 7.290 -6.220 1.00 0.00 H new ATOM 0 HH22 ARG A 10 114.791 6.696 -7.739 1.00 0.00 H new ATOM 182 N GLU A 11 115.653 0.033 -4.219 1.00 0.00 N ATOM 183 CA GLU A 11 114.701 -1.073 -4.256 1.00 0.00 C ATOM 184 C GLU A 11 115.421 -2.411 -4.144 1.00 0.00 C ATOM 185 O GLU A 11 114.862 -3.388 -3.647 1.00 0.00 O ATOM 186 CB GLU A 11 113.877 -1.028 -5.543 1.00 0.00 C ATOM 187 CG GLU A 11 113.737 0.367 -6.132 1.00 0.00 C ATOM 188 CD GLU A 11 114.683 0.608 -7.292 1.00 0.00 C ATOM 189 OE1 GLU A 11 115.875 0.880 -7.040 1.00 0.00 O ATOM 190 OE2 GLU A 11 114.231 0.523 -8.454 1.00 0.00 O ATOM 0 H GLU A 11 115.716 0.566 -5.086 1.00 0.00 H new ATOM 0 HA GLU A 11 114.029 -0.968 -3.404 1.00 0.00 H new ATOM 0 HB2 GLU A 11 114.340 -1.680 -6.283 1.00 0.00 H new ATOM 0 HB3 GLU A 11 112.884 -1.429 -5.342 1.00 0.00 H new ATOM 0 HG2 GLU A 11 112.711 0.514 -6.468 1.00 0.00 H new ATOM 0 HG3 GLU A 11 113.926 1.107 -5.354 1.00 0.00 H new ATOM 197 N CYS A 12 116.667 -2.444 -4.599 1.00 0.00 N ATOM 198 CA CYS A 12 117.467 -3.660 -4.545 1.00 0.00 C ATOM 199 C CYS A 12 117.738 -4.056 -3.101 1.00 0.00 C ATOM 200 O CYS A 12 117.866 -5.238 -2.777 1.00 0.00 O ATOM 201 CB CYS A 12 118.788 -3.460 -5.290 1.00 0.00 C ATOM 202 SG CYS A 12 119.473 -4.976 -5.997 1.00 0.00 S ATOM 0 H CYS A 12 117.145 -1.642 -5.010 1.00 0.00 H new ATOM 0 HA CYS A 12 116.908 -4.461 -5.028 1.00 0.00 H new ATOM 0 HB2 CYS A 12 118.636 -2.735 -6.090 1.00 0.00 H new ATOM 0 HB3 CYS A 12 119.518 -3.029 -4.604 1.00 0.00 H new ATOM 0 HG CYS A 12 120.638 -4.725 -6.516 1.00 0.00 H new ATOM 208 N ALA A 13 117.824 -3.053 -2.238 1.00 0.00 N ATOM 209 CA ALA A 13 118.087 -3.275 -0.826 1.00 0.00 C ATOM 210 C ALA A 13 116.985 -4.111 -0.179 1.00 0.00 C ATOM 211 O ALA A 13 117.232 -4.865 0.762 1.00 0.00 O ATOM 212 CB ALA A 13 118.239 -1.938 -0.110 1.00 0.00 C ATOM 0 H ALA A 13 117.714 -2.072 -2.495 1.00 0.00 H new ATOM 0 HA ALA A 13 119.018 -3.834 -0.735 1.00 0.00 H new ATOM 0 HB1 ALA A 13 118.436 -2.112 0.948 1.00 0.00 H new ATOM 0 HB2 ALA A 13 119.069 -1.383 -0.547 1.00 0.00 H new ATOM 0 HB3 ALA A 13 117.321 -1.361 -0.218 1.00 0.00 H new ATOM 218 N VAL A 14 115.764 -3.977 -0.684 1.00 0.00 N ATOM 219 CA VAL A 14 114.637 -4.721 -0.135 1.00 0.00 C ATOM 220 C VAL A 14 114.889 -6.226 -0.174 1.00 0.00 C ATOM 221 O VAL A 14 114.517 -6.947 0.753 1.00 0.00 O ATOM 222 CB VAL A 14 113.334 -4.399 -0.888 1.00 0.00 C ATOM 223 CG1 VAL A 14 113.108 -2.897 -0.930 1.00 0.00 C ATOM 224 CG2 VAL A 14 113.361 -4.975 -2.295 1.00 0.00 C ATOM 0 H VAL A 14 115.530 -3.365 -1.466 1.00 0.00 H new ATOM 0 HA VAL A 14 114.530 -4.410 0.904 1.00 0.00 H new ATOM 0 HB VAL A 14 112.506 -4.862 -0.352 1.00 0.00 H new ATOM 0 HG11 VAL A 14 112.183 -2.683 -1.465 1.00 0.00 H new ATOM 0 HG12 VAL A 14 113.036 -2.511 0.087 1.00 0.00 H new ATOM 0 HG13 VAL A 14 113.943 -2.418 -1.442 1.00 0.00 H new ATOM 0 HG21 VAL A 14 112.429 -4.733 -2.805 1.00 0.00 H new ATOM 0 HG22 VAL A 14 114.198 -4.548 -2.847 1.00 0.00 H new ATOM 0 HG23 VAL A 14 113.476 -6.058 -2.243 1.00 0.00 H new ATOM 234 N GLN A 15 115.542 -6.695 -1.231 1.00 0.00 N ATOM 235 CA GLN A 15 115.857 -8.110 -1.363 1.00 0.00 C ATOM 236 C GLN A 15 116.710 -8.548 -0.186 1.00 0.00 C ATOM 237 O GLN A 15 116.473 -9.592 0.421 1.00 0.00 O ATOM 238 CB GLN A 15 116.594 -8.377 -2.677 1.00 0.00 C ATOM 239 CG GLN A 15 116.111 -7.515 -3.832 1.00 0.00 C ATOM 240 CD GLN A 15 115.903 -8.309 -5.106 1.00 0.00 C ATOM 241 OE1 GLN A 15 115.448 -9.452 -5.071 1.00 0.00 O ATOM 242 NE2 GLN A 15 116.237 -7.706 -6.241 1.00 0.00 N ATOM 0 H GLN A 15 115.863 -6.116 -2.007 1.00 0.00 H new ATOM 0 HA GLN A 15 114.929 -8.681 -1.371 1.00 0.00 H new ATOM 0 HB2 GLN A 15 117.660 -8.205 -2.527 1.00 0.00 H new ATOM 0 HB3 GLN A 15 116.475 -9.427 -2.944 1.00 0.00 H new ATOM 0 HG2 GLN A 15 115.175 -7.032 -3.553 1.00 0.00 H new ATOM 0 HG3 GLN A 15 116.836 -6.722 -4.017 1.00 0.00 H new ATOM 0 HE21 GLN A 15 116.611 -6.757 -6.224 1.00 0.00 H new ATOM 0 HE22 GLN A 15 116.120 -8.192 -7.130 1.00 0.00 H new ATOM 251 N ALA A 16 117.686 -7.714 0.147 1.00 0.00 N ATOM 252 CA ALA A 16 118.563 -7.974 1.271 1.00 0.00 C ATOM 253 C ALA A 16 117.771 -7.857 2.561 1.00 0.00 C ATOM 254 O ALA A 16 118.027 -8.571 3.531 1.00 0.00 O ATOM 255 CB ALA A 16 119.715 -6.997 1.257 1.00 0.00 C ATOM 0 H ALA A 16 117.888 -6.847 -0.352 1.00 0.00 H new ATOM 0 HA ALA A 16 118.970 -8.983 1.199 1.00 0.00 H new ATOM 0 HB1 ALA A 16 120.372 -7.196 2.104 1.00 0.00 H new ATOM 0 HB2 ALA A 16 120.276 -7.109 0.329 1.00 0.00 H new ATOM 0 HB3 ALA A 16 119.330 -5.980 1.328 1.00 0.00 H new ATOM 261 N LEU A 17 116.779 -6.970 2.550 1.00 0.00 N ATOM 262 CA LEU A 17 115.922 -6.786 3.706 1.00 0.00 C ATOM 263 C LEU A 17 115.211 -8.094 3.996 1.00 0.00 C ATOM 264 O LEU A 17 114.947 -8.435 5.148 1.00 0.00 O ATOM 265 CB LEU A 17 114.904 -5.671 3.454 1.00 0.00 C ATOM 266 CG LEU A 17 115.054 -4.443 4.355 1.00 0.00 C ATOM 267 CD1 LEU A 17 113.804 -3.579 4.289 1.00 0.00 C ATOM 268 CD2 LEU A 17 115.338 -4.866 5.789 1.00 0.00 C ATOM 0 H LEU A 17 116.554 -6.372 1.755 1.00 0.00 H new ATOM 0 HA LEU A 17 116.527 -6.495 4.565 1.00 0.00 H new ATOM 0 HB2 LEU A 17 114.986 -5.353 2.415 1.00 0.00 H new ATOM 0 HB3 LEU A 17 113.901 -6.078 3.584 1.00 0.00 H new ATOM 0 HG LEU A 17 115.898 -3.853 3.998 1.00 0.00 H new ATOM 0 HD11 LEU A 17 113.928 -2.710 4.936 1.00 0.00 H new ATOM 0 HD12 LEU A 17 113.644 -3.248 3.263 1.00 0.00 H new ATOM 0 HD13 LEU A 17 112.943 -4.159 4.621 1.00 0.00 H new ATOM 0 HD21 LEU A 17 115.442 -3.980 6.416 1.00 0.00 H new ATOM 0 HD22 LEU A 17 114.514 -5.477 6.158 1.00 0.00 H new ATOM 0 HD23 LEU A 17 116.262 -5.444 5.822 1.00 0.00 H new ATOM 280 N TYR A 18 114.926 -8.840 2.929 1.00 0.00 N ATOM 281 CA TYR A 18 114.270 -10.133 3.062 1.00 0.00 C ATOM 282 C TYR A 18 115.202 -11.117 3.761 1.00 0.00 C ATOM 283 O TYR A 18 114.772 -11.931 4.577 1.00 0.00 O ATOM 284 CB TYR A 18 113.873 -10.672 1.687 1.00 0.00 C ATOM 285 CG TYR A 18 113.174 -12.013 1.739 1.00 0.00 C ATOM 286 CD1 TYR A 18 111.935 -12.150 2.353 1.00 0.00 C ATOM 287 CD2 TYR A 18 113.754 -13.142 1.173 1.00 0.00 C ATOM 288 CE1 TYR A 18 111.295 -13.374 2.402 1.00 0.00 C ATOM 289 CE2 TYR A 18 113.119 -14.369 1.217 1.00 0.00 C ATOM 290 CZ TYR A 18 111.891 -14.479 1.833 1.00 0.00 C ATOM 291 OH TYR A 18 111.256 -15.699 1.878 1.00 0.00 O ATOM 0 H TYR A 18 115.139 -8.570 1.969 1.00 0.00 H new ATOM 0 HA TYR A 18 113.368 -10.010 3.661 1.00 0.00 H new ATOM 0 HB2 TYR A 18 113.219 -9.950 1.198 1.00 0.00 H new ATOM 0 HB3 TYR A 18 114.767 -10.762 1.070 1.00 0.00 H new ATOM 0 HD1 TYR A 18 111.465 -11.286 2.799 1.00 0.00 H new ATOM 0 HD2 TYR A 18 114.717 -13.059 0.691 1.00 0.00 H new ATOM 0 HE1 TYR A 18 110.333 -13.464 2.884 1.00 0.00 H new ATOM 0 HE2 TYR A 18 113.583 -15.237 0.771 1.00 0.00 H new ATOM 0 HH TYR A 18 111.810 -16.373 1.431 1.00 0.00 H new ATOM 301 N SER A 19 116.488 -11.020 3.435 1.00 0.00 N ATOM 302 CA SER A 19 117.507 -11.881 4.026 1.00 0.00 C ATOM 303 C SER A 19 117.696 -11.559 5.505 1.00 0.00 C ATOM 304 O SER A 19 118.027 -12.433 6.305 1.00 0.00 O ATOM 305 CB SER A 19 118.835 -11.720 3.284 1.00 0.00 C ATOM 306 OG SER A 19 119.523 -10.558 3.714 1.00 0.00 O ATOM 0 H SER A 19 116.851 -10.348 2.759 1.00 0.00 H new ATOM 0 HA SER A 19 117.172 -12.914 3.935 1.00 0.00 H new ATOM 0 HB2 SER A 19 119.458 -12.598 3.453 1.00 0.00 H new ATOM 0 HB3 SER A 19 118.651 -11.661 2.211 1.00 0.00 H new ATOM 0 HG SER A 19 119.097 -9.764 3.329 1.00 0.00 H new ATOM 312 N TRP A 20 117.489 -10.295 5.859 1.00 0.00 N ATOM 313 CA TRP A 20 117.642 -9.843 7.237 1.00 0.00 C ATOM 314 C TRP A 20 116.692 -10.590 8.164 1.00 0.00 C ATOM 315 O TRP A 20 117.098 -11.098 9.209 1.00 0.00 O ATOM 316 CB TRP A 20 117.355 -8.344 7.319 1.00 0.00 C ATOM 317 CG TRP A 20 117.904 -7.690 8.550 1.00 0.00 C ATOM 318 CD1 TRP A 20 118.958 -8.114 9.307 1.00 0.00 C ATOM 319 CD2 TRP A 20 117.420 -6.492 9.169 1.00 0.00 C ATOM 320 NE1 TRP A 20 119.162 -7.251 10.357 1.00 0.00 N ATOM 321 CE2 TRP A 20 118.230 -6.246 10.295 1.00 0.00 C ATOM 322 CE3 TRP A 20 116.381 -5.603 8.880 1.00 0.00 C ATOM 323 CZ2 TRP A 20 118.031 -5.146 11.128 1.00 0.00 C ATOM 324 CZ3 TRP A 20 116.186 -4.513 9.707 1.00 0.00 C ATOM 325 CH2 TRP A 20 117.007 -4.293 10.819 1.00 0.00 C ATOM 0 H TRP A 20 117.213 -9.562 5.206 1.00 0.00 H new ATOM 0 HA TRP A 20 118.666 -10.044 7.553 1.00 0.00 H new ATOM 0 HB2 TRP A 20 117.775 -7.854 6.441 1.00 0.00 H new ATOM 0 HB3 TRP A 20 116.277 -8.188 7.286 1.00 0.00 H new ATOM 0 HD1 TRP A 20 119.546 -8.998 9.110 1.00 0.00 H new ATOM 0 HE1 TRP A 20 119.888 -7.343 11.067 1.00 0.00 H new ATOM 0 HE3 TRP A 20 115.741 -5.765 8.025 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 118.663 -4.973 11.987 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 115.387 -3.819 9.492 1.00 0.00 H new ATOM 0 HH2 TRP A 20 116.828 -3.432 11.446 1.00 0.00 H new ATOM 336 N GLN A 21 115.427 -10.649 7.775 1.00 0.00 N ATOM 337 CA GLN A 21 114.414 -11.331 8.571 1.00 0.00 C ATOM 338 C GLN A 21 114.808 -12.779 8.843 1.00 0.00 C ATOM 339 O GLN A 21 114.768 -13.239 9.985 1.00 0.00 O ATOM 340 CB GLN A 21 113.061 -11.283 7.857 1.00 0.00 C ATOM 341 CG GLN A 21 111.968 -12.062 8.572 1.00 0.00 C ATOM 342 CD GLN A 21 110.590 -11.469 8.351 1.00 0.00 C ATOM 343 OE1 GLN A 21 110.388 -10.264 8.507 1.00 0.00 O ATOM 344 NE2 GLN A 21 109.634 -12.314 7.986 1.00 0.00 N ATOM 0 H GLN A 21 115.076 -10.233 6.912 1.00 0.00 H new ATOM 0 HA GLN A 21 114.335 -10.815 9.528 1.00 0.00 H new ATOM 0 HB2 GLN A 21 112.749 -10.243 7.757 1.00 0.00 H new ATOM 0 HB3 GLN A 21 113.178 -11.679 6.848 1.00 0.00 H new ATOM 0 HG2 GLN A 21 111.975 -13.095 8.223 1.00 0.00 H new ATOM 0 HG3 GLN A 21 112.183 -12.085 9.640 1.00 0.00 H new ATOM 0 HE21 GLN A 21 109.847 -13.305 7.869 1.00 0.00 H new ATOM 0 HE22 GLN A 21 108.687 -11.973 7.823 1.00 0.00 H new ATOM 353 N LEU A 22 115.181 -13.498 7.789 1.00 0.00 N ATOM 354 CA LEU A 22 115.574 -14.898 7.916 1.00 0.00 C ATOM 355 C LEU A 22 116.999 -15.034 8.448 1.00 0.00 C ATOM 356 O LEU A 22 117.251 -15.792 9.384 1.00 0.00 O ATOM 357 CB LEU A 22 115.453 -15.605 6.565 1.00 0.00 C ATOM 358 CG LEU A 22 114.120 -15.401 5.844 1.00 0.00 C ATOM 359 CD1 LEU A 22 114.323 -15.397 4.336 1.00 0.00 C ATOM 360 CD2 LEU A 22 113.128 -16.481 6.247 1.00 0.00 C ATOM 0 H LEU A 22 115.220 -13.134 6.837 1.00 0.00 H new ATOM 0 HA LEU A 22 114.900 -15.368 8.632 1.00 0.00 H new ATOM 0 HB2 LEU A 22 116.256 -15.256 5.916 1.00 0.00 H new ATOM 0 HB3 LEU A 22 115.607 -16.673 6.716 1.00 0.00 H new ATOM 0 HG LEU A 22 113.714 -14.433 6.137 1.00 0.00 H new ATOM 0 HD11 LEU A 22 113.363 -15.251 3.840 1.00 0.00 H new ATOM 0 HD12 LEU A 22 115.000 -14.588 4.062 1.00 0.00 H new ATOM 0 HD13 LEU A 22 114.751 -16.350 4.024 1.00 0.00 H new ATOM 0 HD21 LEU A 22 112.184 -16.321 5.725 1.00 0.00 H new ATOM 0 HD22 LEU A 22 113.528 -17.460 5.982 1.00 0.00 H new ATOM 0 HD23 LEU A 22 112.959 -16.437 7.323 1.00 0.00 H new ATOM 372 N SER A 23 117.927 -14.300 7.843 1.00 0.00 N ATOM 373 CA SER A 23 119.327 -14.348 8.253 1.00 0.00 C ATOM 374 C SER A 23 119.511 -13.776 9.655 1.00 0.00 C ATOM 375 O SER A 23 120.160 -14.386 10.505 1.00 0.00 O ATOM 376 CB SER A 23 120.198 -13.577 7.259 1.00 0.00 C ATOM 377 OG SER A 23 119.924 -13.974 5.927 1.00 0.00 O ATOM 0 H SER A 23 117.736 -13.665 7.068 1.00 0.00 H new ATOM 0 HA SER A 23 119.636 -15.393 8.266 1.00 0.00 H new ATOM 0 HB2 SER A 23 120.019 -12.507 7.367 1.00 0.00 H new ATOM 0 HB3 SER A 23 121.251 -13.748 7.484 1.00 0.00 H new ATOM 0 HG SER A 23 119.076 -13.578 5.635 1.00 0.00 H new ATOM 383 N GLN A 24 118.936 -12.602 9.892 1.00 0.00 N ATOM 384 CA GLN A 24 119.037 -11.950 11.193 1.00 0.00 C ATOM 385 C GLN A 24 120.471 -11.515 11.482 1.00 0.00 C ATOM 386 O GLN A 24 120.782 -11.071 12.588 1.00 0.00 O ATOM 387 CB GLN A 24 118.545 -12.889 12.296 1.00 0.00 C ATOM 388 CG GLN A 24 117.051 -12.791 12.558 1.00 0.00 C ATOM 389 CD GLN A 24 116.703 -11.687 13.536 1.00 0.00 C ATOM 390 OE1 GLN A 24 117.190 -11.667 14.667 1.00 0.00 O ATOM 391 NE2 GLN A 24 115.855 -10.761 13.105 1.00 0.00 N ATOM 0 H GLN A 24 118.395 -12.082 9.201 1.00 0.00 H new ATOM 0 HA GLN A 24 118.408 -11.060 11.172 1.00 0.00 H new ATOM 0 HB2 GLN A 24 118.791 -13.915 12.024 1.00 0.00 H new ATOM 0 HB3 GLN A 24 119.082 -12.666 13.218 1.00 0.00 H new ATOM 0 HG2 GLN A 24 116.531 -12.614 11.616 1.00 0.00 H new ATOM 0 HG3 GLN A 24 116.691 -13.743 12.947 1.00 0.00 H new ATOM 0 HE21 GLN A 24 115.476 -10.817 12.160 1.00 0.00 H new ATOM 0 HE22 GLN A 24 115.583 -9.993 13.719 1.00 0.00 H new ATOM 400 N ASN A 25 121.341 -11.640 10.484 1.00 0.00 N ATOM 401 CA ASN A 25 122.741 -11.256 10.639 1.00 0.00 C ATOM 402 C ASN A 25 122.855 -9.795 11.064 1.00 0.00 C ATOM 403 O ASN A 25 121.950 -9.255 11.698 1.00 0.00 O ATOM 404 CB ASN A 25 123.504 -11.480 9.332 1.00 0.00 C ATOM 405 CG ASN A 25 124.930 -11.937 9.567 1.00 0.00 C ATOM 406 OD1 ASN A 25 125.174 -12.904 10.289 1.00 0.00 O ATOM 407 ND2 ASN A 25 125.882 -11.243 8.956 1.00 0.00 N ATOM 0 H ASN A 25 121.102 -12.003 9.561 1.00 0.00 H new ATOM 0 HA ASN A 25 123.181 -11.881 11.416 1.00 0.00 H new ATOM 0 HB2 ASN A 25 122.981 -12.225 8.732 1.00 0.00 H new ATOM 0 HB3 ASN A 25 123.512 -10.555 8.756 1.00 0.00 H new ATOM 0 HD21 ASN A 25 126.861 -11.504 9.076 1.00 0.00 H new ATOM 0 HD22 ASN A 25 125.635 -10.448 8.366 1.00 0.00 H new ATOM 414 N ASP A 26 123.970 -9.159 10.712 1.00 0.00 N ATOM 415 CA ASP A 26 124.189 -7.760 11.060 1.00 0.00 C ATOM 416 C ASP A 26 122.948 -6.931 10.734 1.00 0.00 C ATOM 417 O ASP A 26 121.977 -6.940 11.490 1.00 0.00 O ATOM 418 CB ASP A 26 125.412 -7.210 10.321 1.00 0.00 C ATOM 419 CG ASP A 26 126.694 -7.914 10.721 1.00 0.00 C ATOM 420 OD1 ASP A 26 126.651 -9.142 10.948 1.00 0.00 O ATOM 421 OD2 ASP A 26 127.741 -7.238 10.806 1.00 0.00 O ATOM 0 H ASP A 26 124.732 -9.589 10.188 1.00 0.00 H new ATOM 0 HA ASP A 26 124.377 -7.694 12.132 1.00 0.00 H new ATOM 0 HB2 ASP A 26 125.262 -7.317 9.247 1.00 0.00 H new ATOM 0 HB3 ASP A 26 125.507 -6.144 10.525 1.00 0.00 H new ATOM 426 N ILE A 27 122.971 -6.229 9.600 1.00 0.00 N ATOM 427 CA ILE A 27 121.830 -5.420 9.185 1.00 0.00 C ATOM 428 C ILE A 27 122.242 -4.294 8.244 1.00 0.00 C ATOM 429 O ILE A 27 121.901 -4.305 7.063 1.00 0.00 O ATOM 430 CB ILE A 27 121.085 -4.813 10.392 1.00 0.00 C ATOM 431 CG1 ILE A 27 120.216 -3.635 9.946 1.00 0.00 C ATOM 432 CG2 ILE A 27 122.074 -4.369 11.460 1.00 0.00 C ATOM 433 CD1 ILE A 27 119.406 -3.915 8.699 1.00 0.00 C ATOM 0 H ILE A 27 123.763 -6.206 8.958 1.00 0.00 H new ATOM 0 HA ILE A 27 121.161 -6.099 8.657 1.00 0.00 H new ATOM 0 HB ILE A 27 120.437 -5.579 10.818 1.00 0.00 H new ATOM 0 HG12 ILE A 27 119.538 -3.368 10.757 1.00 0.00 H new ATOM 0 HG13 ILE A 27 120.855 -2.771 9.767 1.00 0.00 H new ATOM 0 HG21 ILE A 27 121.531 -3.943 12.304 1.00 0.00 H new ATOM 0 HG22 ILE A 27 122.655 -5.227 11.798 1.00 0.00 H new ATOM 0 HG23 ILE A 27 122.745 -3.618 11.044 1.00 0.00 H new ATOM 0 HD11 ILE A 27 118.815 -3.035 8.444 1.00 0.00 H new ATOM 0 HD12 ILE A 27 120.078 -4.153 7.874 1.00 0.00 H new ATOM 0 HD13 ILE A 27 118.740 -4.759 8.879 1.00 0.00 H new ATOM 445 N ALA A 28 122.973 -3.319 8.762 1.00 0.00 N ATOM 446 CA ALA A 28 123.410 -2.210 7.934 1.00 0.00 C ATOM 447 C ALA A 28 124.277 -2.722 6.795 1.00 0.00 C ATOM 448 O ALA A 28 124.025 -2.440 5.624 1.00 0.00 O ATOM 449 CB ALA A 28 124.172 -1.191 8.769 1.00 0.00 C ATOM 0 H ALA A 28 123.271 -3.274 9.736 1.00 0.00 H new ATOM 0 HA ALA A 28 122.533 -1.719 7.513 1.00 0.00 H new ATOM 0 HB1 ALA A 28 124.493 -0.366 8.133 1.00 0.00 H new ATOM 0 HB2 ALA A 28 123.524 -0.810 9.558 1.00 0.00 H new ATOM 0 HB3 ALA A 28 125.046 -1.666 9.215 1.00 0.00 H new ATOM 455 N ASP A 29 125.300 -3.482 7.158 1.00 0.00 N ATOM 456 CA ASP A 29 126.222 -4.054 6.189 1.00 0.00 C ATOM 457 C ASP A 29 125.614 -5.231 5.421 1.00 0.00 C ATOM 458 O ASP A 29 125.907 -5.417 4.244 1.00 0.00 O ATOM 459 CB ASP A 29 127.502 -4.507 6.891 1.00 0.00 C ATOM 460 CG ASP A 29 127.291 -5.753 7.729 1.00 0.00 C ATOM 461 OD1 ASP A 29 127.116 -6.841 7.142 1.00 0.00 O ATOM 462 OD2 ASP A 29 127.304 -5.640 8.973 1.00 0.00 O ATOM 0 H ASP A 29 125.513 -3.718 8.127 1.00 0.00 H new ATOM 0 HA ASP A 29 126.447 -3.272 5.463 1.00 0.00 H new ATOM 0 HB2 ASP A 29 128.273 -4.700 6.145 1.00 0.00 H new ATOM 0 HB3 ASP A 29 127.869 -3.702 7.528 1.00 0.00 H new ATOM 467 N VAL A 30 124.811 -6.054 6.101 1.00 0.00 N ATOM 468 CA VAL A 30 124.237 -7.245 5.467 1.00 0.00 C ATOM 469 C VAL A 30 123.361 -6.942 4.259 1.00 0.00 C ATOM 470 O VAL A 30 123.561 -7.518 3.190 1.00 0.00 O ATOM 471 CB VAL A 30 123.379 -8.078 6.447 1.00 0.00 C ATOM 472 CG1 VAL A 30 122.193 -7.276 6.945 1.00 0.00 C ATOM 473 CG2 VAL A 30 122.901 -9.357 5.768 1.00 0.00 C ATOM 0 H VAL A 30 124.546 -5.921 7.077 1.00 0.00 H new ATOM 0 HA VAL A 30 125.114 -7.806 5.143 1.00 0.00 H new ATOM 0 HB VAL A 30 123.998 -8.340 7.305 1.00 0.00 H new ATOM 0 HG11 VAL A 30 121.605 -7.884 7.633 1.00 0.00 H new ATOM 0 HG12 VAL A 30 122.548 -6.384 7.462 1.00 0.00 H new ATOM 0 HG13 VAL A 30 121.572 -6.982 6.099 1.00 0.00 H new ATOM 0 HG21 VAL A 30 122.298 -9.936 6.467 1.00 0.00 H new ATOM 0 HG22 VAL A 30 122.301 -9.103 4.895 1.00 0.00 H new ATOM 0 HG23 VAL A 30 123.763 -9.947 5.457 1.00 0.00 H new ATOM 483 N GLU A 31 122.371 -6.078 4.423 1.00 0.00 N ATOM 484 CA GLU A 31 121.464 -5.797 3.322 1.00 0.00 C ATOM 485 C GLU A 31 122.204 -5.342 2.074 1.00 0.00 C ATOM 486 O GLU A 31 122.013 -5.890 0.989 1.00 0.00 O ATOM 487 CB GLU A 31 120.408 -4.755 3.724 1.00 0.00 C ATOM 488 CG GLU A 31 120.502 -3.431 2.972 1.00 0.00 C ATOM 489 CD GLU A 31 120.213 -3.549 1.491 1.00 0.00 C ATOM 490 OE1 GLU A 31 119.464 -4.462 1.110 1.00 0.00 O ATOM 491 OE2 GLU A 31 120.739 -2.724 0.715 1.00 0.00 O ATOM 0 H GLU A 31 122.178 -5.570 5.286 1.00 0.00 H new ATOM 0 HA GLU A 31 120.958 -6.733 3.085 1.00 0.00 H new ATOM 0 HB2 GLU A 31 119.417 -5.180 3.562 1.00 0.00 H new ATOM 0 HB3 GLU A 31 120.499 -4.558 4.792 1.00 0.00 H new ATOM 0 HG2 GLU A 31 119.802 -2.722 3.414 1.00 0.00 H new ATOM 0 HG3 GLU A 31 121.502 -3.018 3.106 1.00 0.00 H new ATOM 498 N TYR A 32 123.027 -4.325 2.229 1.00 0.00 N ATOM 499 CA TYR A 32 123.775 -3.772 1.115 1.00 0.00 C ATOM 500 C TYR A 32 124.859 -4.724 0.611 1.00 0.00 C ATOM 501 O TYR A 32 125.280 -4.630 -0.542 1.00 0.00 O ATOM 502 CB TYR A 32 124.352 -2.416 1.503 1.00 0.00 C ATOM 503 CG TYR A 32 123.278 -1.367 1.710 1.00 0.00 C ATOM 504 CD1 TYR A 32 122.754 -0.657 0.637 1.00 0.00 C ATOM 505 CD2 TYR A 32 122.783 -1.093 2.978 1.00 0.00 C ATOM 506 CE1 TYR A 32 121.772 0.298 0.827 1.00 0.00 C ATOM 507 CE2 TYR A 32 121.805 -0.139 3.170 1.00 0.00 C ATOM 508 CZ TYR A 32 121.303 0.553 2.094 1.00 0.00 C ATOM 509 OH TYR A 32 120.325 1.502 2.285 1.00 0.00 O ATOM 0 H TYR A 32 123.196 -3.861 3.121 1.00 0.00 H new ATOM 0 HA TYR A 32 123.086 -3.635 0.282 1.00 0.00 H new ATOM 0 HB2 TYR A 32 124.934 -2.521 2.418 1.00 0.00 H new ATOM 0 HB3 TYR A 32 125.038 -2.081 0.725 1.00 0.00 H new ATOM 0 HD1 TYR A 32 123.119 -0.854 -0.360 1.00 0.00 H new ATOM 0 HD2 TYR A 32 123.170 -1.636 3.828 1.00 0.00 H new ATOM 0 HE1 TYR A 32 121.375 0.842 -0.017 1.00 0.00 H new ATOM 0 HE2 TYR A 32 121.435 0.064 4.164 1.00 0.00 H new ATOM 0 HH TYR A 32 119.477 1.177 1.915 1.00 0.00 H new ATOM 519 N GLN A 33 125.320 -5.635 1.467 1.00 0.00 N ATOM 520 CA GLN A 33 126.361 -6.579 1.066 1.00 0.00 C ATOM 521 C GLN A 33 125.891 -7.443 -0.098 1.00 0.00 C ATOM 522 O GLN A 33 126.692 -7.873 -0.928 1.00 0.00 O ATOM 523 CB GLN A 33 126.773 -7.468 2.239 1.00 0.00 C ATOM 524 CG GLN A 33 125.817 -8.623 2.490 1.00 0.00 C ATOM 525 CD GLN A 33 126.416 -9.965 2.117 1.00 0.00 C ATOM 526 OE1 GLN A 33 127.633 -10.101 1.989 1.00 0.00 O ATOM 527 NE2 GLN A 33 125.561 -10.966 1.942 1.00 0.00 N ATOM 0 H GLN A 33 124.995 -5.739 2.428 1.00 0.00 H new ATOM 0 HA GLN A 33 127.227 -6.000 0.746 1.00 0.00 H new ATOM 0 HB2 GLN A 33 127.770 -7.866 2.050 1.00 0.00 H new ATOM 0 HB3 GLN A 33 126.839 -6.859 3.141 1.00 0.00 H new ATOM 0 HG2 GLN A 33 125.535 -8.635 3.543 1.00 0.00 H new ATOM 0 HG3 GLN A 33 124.903 -8.465 1.917 1.00 0.00 H new ATOM 0 HE21 GLN A 33 124.560 -10.808 2.058 1.00 0.00 H new ATOM 0 HE22 GLN A 33 125.905 -11.893 1.691 1.00 0.00 H new ATOM 536 N PHE A 34 124.587 -7.690 -0.157 1.00 0.00 N ATOM 537 CA PHE A 34 124.013 -8.499 -1.226 1.00 0.00 C ATOM 538 C PHE A 34 124.349 -7.903 -2.586 1.00 0.00 C ATOM 539 O PHE A 34 124.685 -8.622 -3.528 1.00 0.00 O ATOM 540 CB PHE A 34 122.496 -8.589 -1.064 1.00 0.00 C ATOM 541 CG PHE A 34 121.797 -9.145 -2.271 1.00 0.00 C ATOM 542 CD1 PHE A 34 122.043 -10.441 -2.695 1.00 0.00 C ATOM 543 CD2 PHE A 34 120.893 -8.372 -2.981 1.00 0.00 C ATOM 544 CE1 PHE A 34 121.402 -10.956 -3.806 1.00 0.00 C ATOM 545 CE2 PHE A 34 120.248 -8.881 -4.093 1.00 0.00 C ATOM 546 CZ PHE A 34 120.503 -10.175 -4.506 1.00 0.00 C ATOM 0 H PHE A 34 123.909 -7.343 0.521 1.00 0.00 H new ATOM 0 HA PHE A 34 124.440 -9.500 -1.165 1.00 0.00 H new ATOM 0 HB2 PHE A 34 122.267 -9.214 -0.201 1.00 0.00 H new ATOM 0 HB3 PHE A 34 122.102 -7.595 -0.851 1.00 0.00 H new ATOM 0 HD1 PHE A 34 122.744 -11.056 -2.151 1.00 0.00 H new ATOM 0 HD2 PHE A 34 120.690 -7.360 -2.662 1.00 0.00 H new ATOM 0 HE1 PHE A 34 121.604 -11.967 -4.126 1.00 0.00 H new ATOM 0 HE2 PHE A 34 119.546 -8.268 -4.638 1.00 0.00 H new ATOM 0 HZ PHE A 34 120.000 -10.575 -5.374 1.00 0.00 H new ATOM 556 N LEU A 35 124.253 -6.583 -2.678 1.00 0.00 N ATOM 557 CA LEU A 35 124.547 -5.878 -3.921 1.00 0.00 C ATOM 558 C LEU A 35 126.041 -5.908 -4.223 1.00 0.00 C ATOM 559 O LEU A 35 126.449 -6.006 -5.380 1.00 0.00 O ATOM 560 CB LEU A 35 124.063 -4.429 -3.838 1.00 0.00 C ATOM 561 CG LEU A 35 122.775 -4.218 -3.040 1.00 0.00 C ATOM 562 CD1 LEU A 35 122.975 -3.149 -1.977 1.00 0.00 C ATOM 563 CD2 LEU A 35 121.633 -3.839 -3.970 1.00 0.00 C ATOM 0 H LEU A 35 123.974 -5.977 -1.906 1.00 0.00 H new ATOM 0 HA LEU A 35 124.020 -6.385 -4.729 1.00 0.00 H new ATOM 0 HB2 LEU A 35 124.852 -3.824 -3.391 1.00 0.00 H new ATOM 0 HB3 LEU A 35 123.910 -4.055 -4.850 1.00 0.00 H new ATOM 0 HG LEU A 35 122.519 -5.153 -2.541 1.00 0.00 H new ATOM 0 HD11 LEU A 35 122.048 -3.012 -1.419 1.00 0.00 H new ATOM 0 HD12 LEU A 35 123.767 -3.458 -1.295 1.00 0.00 H new ATOM 0 HD13 LEU A 35 123.253 -2.209 -2.454 1.00 0.00 H new ATOM 0 HD21 LEU A 35 120.723 -3.692 -3.388 1.00 0.00 H new ATOM 0 HD22 LEU A 35 121.881 -2.916 -4.494 1.00 0.00 H new ATOM 0 HD23 LEU A 35 121.475 -4.637 -4.696 1.00 0.00 H new ATOM 575 N ALA A 36 126.852 -5.822 -3.173 1.00 0.00 N ATOM 576 CA ALA A 36 128.303 -5.837 -3.326 1.00 0.00 C ATOM 577 C ALA A 36 128.834 -7.264 -3.412 1.00 0.00 C ATOM 578 O ALA A 36 129.955 -7.492 -3.864 1.00 0.00 O ATOM 579 CB ALA A 36 128.961 -5.097 -2.170 1.00 0.00 C ATOM 0 H ALA A 36 126.530 -5.741 -2.209 1.00 0.00 H new ATOM 0 HA ALA A 36 128.550 -5.330 -4.259 1.00 0.00 H new ATOM 0 HB1 ALA A 36 130.044 -5.115 -2.296 1.00 0.00 H new ATOM 0 HB2 ALA A 36 128.615 -4.064 -2.155 1.00 0.00 H new ATOM 0 HB3 ALA A 36 128.697 -5.582 -1.230 1.00 0.00 H new ATOM 585 N GLU A 37 128.022 -8.221 -2.976 1.00 0.00 N ATOM 586 CA GLU A 37 128.411 -9.626 -3.005 1.00 0.00 C ATOM 587 C GLU A 37 129.246 -9.934 -4.244 1.00 0.00 C ATOM 588 O GLU A 37 130.382 -10.398 -4.140 1.00 0.00 O ATOM 589 CB GLU A 37 127.173 -10.523 -2.975 1.00 0.00 C ATOM 590 CG GLU A 37 126.954 -11.216 -1.640 1.00 0.00 C ATOM 591 CD GLU A 37 126.079 -12.448 -1.759 1.00 0.00 C ATOM 592 OE1 GLU A 37 124.965 -12.334 -2.312 1.00 0.00 O ATOM 593 OE2 GLU A 37 126.509 -13.528 -1.300 1.00 0.00 O ATOM 0 H GLU A 37 127.090 -8.049 -2.598 1.00 0.00 H new ATOM 0 HA GLU A 37 129.016 -9.826 -2.121 1.00 0.00 H new ATOM 0 HB2 GLU A 37 126.294 -9.923 -3.211 1.00 0.00 H new ATOM 0 HB3 GLU A 37 127.263 -11.278 -3.756 1.00 0.00 H new ATOM 0 HG2 GLU A 37 127.919 -11.499 -1.219 1.00 0.00 H new ATOM 0 HG3 GLU A 37 126.496 -10.515 -0.942 1.00 0.00 H new ATOM 600 N GLN A 38 128.675 -9.675 -5.415 1.00 0.00 N ATOM 601 CA GLN A 38 129.366 -9.925 -6.675 1.00 0.00 C ATOM 602 C GLN A 38 129.105 -8.799 -7.671 1.00 0.00 C ATOM 603 O GLN A 38 129.206 -8.994 -8.882 1.00 0.00 O ATOM 604 CB GLN A 38 128.920 -11.262 -7.269 1.00 0.00 C ATOM 605 CG GLN A 38 129.294 -12.462 -6.414 1.00 0.00 C ATOM 606 CD GLN A 38 129.891 -13.593 -7.229 1.00 0.00 C ATOM 607 OE1 GLN A 38 131.010 -14.037 -6.968 1.00 0.00 O ATOM 608 NE2 GLN A 38 129.146 -14.065 -8.221 1.00 0.00 N ATOM 0 H GLN A 38 127.735 -9.292 -5.518 1.00 0.00 H new ATOM 0 HA GLN A 38 130.436 -9.965 -6.472 1.00 0.00 H new ATOM 0 HB2 GLN A 38 127.839 -11.247 -7.406 1.00 0.00 H new ATOM 0 HB3 GLN A 38 129.365 -11.378 -8.257 1.00 0.00 H new ATOM 0 HG2 GLN A 38 130.008 -12.152 -5.651 1.00 0.00 H new ATOM 0 HG3 GLN A 38 128.407 -12.823 -5.893 1.00 0.00 H new ATOM 0 HE21 GLN A 38 128.224 -13.667 -8.401 1.00 0.00 H new ATOM 0 HE22 GLN A 38 129.495 -14.826 -8.803 1.00 0.00 H new ATOM 617 N ASP A 39 128.772 -7.622 -7.152 1.00 0.00 N ATOM 618 CA ASP A 39 128.497 -6.466 -7.997 1.00 0.00 C ATOM 619 C ASP A 39 127.268 -6.705 -8.866 1.00 0.00 C ATOM 620 O ASP A 39 127.384 -7.071 -10.036 1.00 0.00 O ATOM 621 CB ASP A 39 129.707 -6.153 -8.879 1.00 0.00 C ATOM 622 CG ASP A 39 130.995 -6.723 -8.318 1.00 0.00 C ATOM 623 OD1 ASP A 39 131.301 -6.449 -7.138 1.00 0.00 O ATOM 624 OD2 ASP A 39 131.697 -7.444 -9.057 1.00 0.00 O ATOM 0 H ASP A 39 128.686 -7.444 -6.151 1.00 0.00 H new ATOM 0 HA ASP A 39 128.299 -5.613 -7.348 1.00 0.00 H new ATOM 0 HB2 ASP A 39 129.539 -6.556 -9.878 1.00 0.00 H new ATOM 0 HB3 ASP A 39 129.807 -5.073 -8.984 1.00 0.00 H new ATOM 629 N VAL A 40 126.090 -6.497 -8.287 1.00 0.00 N ATOM 630 CA VAL A 40 124.839 -6.691 -9.010 1.00 0.00 C ATOM 631 C VAL A 40 124.956 -6.205 -10.451 1.00 0.00 C ATOM 632 O VAL A 40 124.554 -6.899 -11.385 1.00 0.00 O ATOM 633 CB VAL A 40 123.673 -5.951 -8.326 1.00 0.00 C ATOM 634 CG1 VAL A 40 122.435 -5.970 -9.209 1.00 0.00 C ATOM 635 CG2 VAL A 40 123.377 -6.566 -6.966 1.00 0.00 C ATOM 0 H VAL A 40 125.976 -6.194 -7.320 1.00 0.00 H new ATOM 0 HA VAL A 40 124.634 -7.762 -9.004 1.00 0.00 H new ATOM 0 HB VAL A 40 123.965 -4.912 -8.175 1.00 0.00 H new ATOM 0 HG11 VAL A 40 121.623 -5.443 -8.708 1.00 0.00 H new ATOM 0 HG12 VAL A 40 122.657 -5.479 -10.157 1.00 0.00 H new ATOM 0 HG13 VAL A 40 122.137 -7.002 -9.396 1.00 0.00 H new ATOM 0 HG21 VAL A 40 122.551 -6.031 -6.497 1.00 0.00 H new ATOM 0 HG22 VAL A 40 123.106 -7.614 -7.092 1.00 0.00 H new ATOM 0 HG23 VAL A 40 124.262 -6.494 -6.334 1.00 0.00 H new ATOM 645 N LYS A 41 125.509 -5.009 -10.624 1.00 0.00 N ATOM 646 CA LYS A 41 125.680 -4.430 -11.951 1.00 0.00 C ATOM 647 C LYS A 41 127.013 -3.695 -12.057 1.00 0.00 C ATOM 648 O LYS A 41 127.206 -2.865 -12.946 1.00 0.00 O ATOM 649 CB LYS A 41 124.530 -3.471 -12.264 1.00 0.00 C ATOM 650 CG LYS A 41 124.374 -3.173 -13.746 1.00 0.00 C ATOM 651 CD LYS A 41 122.960 -2.724 -14.079 1.00 0.00 C ATOM 652 CE LYS A 41 122.748 -1.258 -13.739 1.00 0.00 C ATOM 653 NZ LYS A 41 121.520 -0.710 -14.381 1.00 0.00 N ATOM 0 H LYS A 41 125.846 -4.422 -9.861 1.00 0.00 H new ATOM 0 HA LYS A 41 125.675 -5.243 -12.678 1.00 0.00 H new ATOM 0 HB2 LYS A 41 123.600 -3.897 -11.887 1.00 0.00 H new ATOM 0 HB3 LYS A 41 124.692 -2.535 -11.729 1.00 0.00 H new ATOM 0 HG2 LYS A 41 125.081 -2.397 -14.038 1.00 0.00 H new ATOM 0 HG3 LYS A 41 124.620 -4.063 -14.325 1.00 0.00 H new ATOM 0 HD2 LYS A 41 122.766 -2.885 -15.140 1.00 0.00 H new ATOM 0 HD3 LYS A 41 122.244 -3.334 -13.528 1.00 0.00 H new ATOM 0 HE2 LYS A 41 122.674 -1.143 -12.658 1.00 0.00 H new ATOM 0 HE3 LYS A 41 123.615 -0.681 -14.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 121.439 0.304 -14.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 121.578 -0.842 -15.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 120.684 -1.209 -14.015 1.00 0.00 H new ATOM 667 N ASP A 42 127.927 -4.004 -11.144 1.00 0.00 N ATOM 668 CA ASP A 42 129.242 -3.373 -11.135 1.00 0.00 C ATOM 669 C ASP A 42 129.140 -1.910 -10.720 1.00 0.00 C ATOM 670 O ASP A 42 129.581 -1.018 -11.444 1.00 0.00 O ATOM 671 CB ASP A 42 129.893 -3.481 -12.515 1.00 0.00 C ATOM 672 CG ASP A 42 131.264 -4.126 -12.460 1.00 0.00 C ATOM 673 OD1 ASP A 42 131.385 -5.213 -11.859 1.00 0.00 O ATOM 674 OD2 ASP A 42 132.216 -3.542 -13.019 1.00 0.00 O ATOM 0 H ASP A 42 127.782 -4.687 -10.401 1.00 0.00 H new ATOM 0 HA ASP A 42 129.863 -3.895 -10.407 1.00 0.00 H new ATOM 0 HB2 ASP A 42 129.247 -4.062 -13.173 1.00 0.00 H new ATOM 0 HB3 ASP A 42 129.980 -2.486 -12.951 1.00 0.00 H new ATOM 679 N VAL A 43 128.554 -1.670 -9.552 1.00 0.00 N ATOM 680 CA VAL A 43 128.393 -0.314 -9.043 1.00 0.00 C ATOM 681 C VAL A 43 128.773 -0.231 -7.568 1.00 0.00 C ATOM 682 O VAL A 43 128.762 -1.236 -6.857 1.00 0.00 O ATOM 683 CB VAL A 43 126.946 0.183 -9.215 1.00 0.00 C ATOM 684 CG1 VAL A 43 126.801 0.968 -10.509 1.00 0.00 C ATOM 685 CG2 VAL A 43 125.971 -0.985 -9.178 1.00 0.00 C ATOM 0 H VAL A 43 128.183 -2.397 -8.940 1.00 0.00 H new ATOM 0 HA VAL A 43 129.060 0.322 -9.625 1.00 0.00 H new ATOM 0 HB VAL A 43 126.709 0.849 -8.385 1.00 0.00 H new ATOM 0 HG11 VAL A 43 125.772 1.311 -10.613 1.00 0.00 H new ATOM 0 HG12 VAL A 43 127.470 1.828 -10.490 1.00 0.00 H new ATOM 0 HG13 VAL A 43 127.057 0.328 -11.353 1.00 0.00 H new ATOM 0 HG21 VAL A 43 124.954 -0.614 -9.301 1.00 0.00 H new ATOM 0 HG22 VAL A 43 126.204 -1.679 -9.985 1.00 0.00 H new ATOM 0 HG23 VAL A 43 126.056 -1.500 -8.221 1.00 0.00 H new ATOM 695 N ASP A 44 129.109 0.972 -7.115 1.00 0.00 N ATOM 696 CA ASP A 44 129.492 1.186 -5.724 1.00 0.00 C ATOM 697 C ASP A 44 128.266 1.447 -4.857 1.00 0.00 C ATOM 698 O ASP A 44 127.363 2.188 -5.248 1.00 0.00 O ATOM 699 CB ASP A 44 130.467 2.360 -5.617 1.00 0.00 C ATOM 700 CG ASP A 44 131.415 2.434 -6.797 1.00 0.00 C ATOM 701 OD1 ASP A 44 132.363 1.623 -6.849 1.00 0.00 O ATOM 702 OD2 ASP A 44 131.211 3.304 -7.670 1.00 0.00 O ATOM 0 H ASP A 44 129.124 1.814 -7.691 1.00 0.00 H new ATOM 0 HA ASP A 44 129.983 0.282 -5.364 1.00 0.00 H new ATOM 0 HB2 ASP A 44 129.904 3.291 -5.548 1.00 0.00 H new ATOM 0 HB3 ASP A 44 131.044 2.267 -4.697 1.00 0.00 H new ATOM 707 N VAL A 45 128.238 0.834 -3.678 1.00 0.00 N ATOM 708 CA VAL A 45 127.121 1.002 -2.757 1.00 0.00 C ATOM 709 C VAL A 45 127.601 1.091 -1.315 1.00 0.00 C ATOM 710 O VAL A 45 126.809 0.976 -0.380 1.00 0.00 O ATOM 711 CB VAL A 45 126.126 -0.163 -2.859 1.00 0.00 C ATOM 712 CG1 VAL A 45 124.751 0.342 -3.269 1.00 0.00 C ATOM 713 CG2 VAL A 45 126.630 -1.217 -3.832 1.00 0.00 C ATOM 0 H VAL A 45 128.976 0.217 -3.339 1.00 0.00 H new ATOM 0 HA VAL A 45 126.627 1.931 -3.041 1.00 0.00 H new ATOM 0 HB VAL A 45 126.038 -0.626 -1.876 1.00 0.00 H new ATOM 0 HG11 VAL A 45 124.060 -0.498 -3.336 1.00 0.00 H new ATOM 0 HG12 VAL A 45 124.388 1.052 -2.526 1.00 0.00 H new ATOM 0 HG13 VAL A 45 124.819 0.834 -4.239 1.00 0.00 H new ATOM 0 HG21 VAL A 45 125.910 -2.033 -3.889 1.00 0.00 H new ATOM 0 HG22 VAL A 45 126.753 -0.772 -4.819 1.00 0.00 H new ATOM 0 HG23 VAL A 45 127.589 -1.603 -3.486 1.00 0.00 H new ATOM 723 N LEU A 46 128.899 1.296 -1.139 1.00 0.00 N ATOM 724 CA LEU A 46 129.470 1.394 0.197 1.00 0.00 C ATOM 725 C LEU A 46 128.752 2.472 0.993 1.00 0.00 C ATOM 726 O LEU A 46 128.398 2.268 2.155 1.00 0.00 O ATOM 727 CB LEU A 46 130.967 1.702 0.119 1.00 0.00 C ATOM 728 CG LEU A 46 131.313 3.152 -0.227 1.00 0.00 C ATOM 729 CD1 LEU A 46 132.771 3.443 0.097 1.00 0.00 C ATOM 730 CD2 LEU A 46 131.025 3.434 -1.693 1.00 0.00 C ATOM 0 H LEU A 46 129.572 1.397 -1.898 1.00 0.00 H new ATOM 0 HA LEU A 46 129.341 0.437 0.702 1.00 0.00 H new ATOM 0 HB2 LEU A 46 131.424 1.454 1.077 1.00 0.00 H new ATOM 0 HB3 LEU A 46 131.418 1.049 -0.628 1.00 0.00 H new ATOM 0 HG LEU A 46 130.688 3.809 0.378 1.00 0.00 H new ATOM 0 HD11 LEU A 46 133.000 4.478 -0.155 1.00 0.00 H new ATOM 0 HD12 LEU A 46 132.947 3.281 1.160 1.00 0.00 H new ATOM 0 HD13 LEU A 46 133.412 2.778 -0.482 1.00 0.00 H new ATOM 0 HD21 LEU A 46 131.277 4.470 -1.921 1.00 0.00 H new ATOM 0 HD22 LEU A 46 131.624 2.769 -2.316 1.00 0.00 H new ATOM 0 HD23 LEU A 46 129.967 3.265 -1.895 1.00 0.00 H new ATOM 742 N TYR A 47 128.513 3.610 0.356 1.00 0.00 N ATOM 743 CA TYR A 47 127.809 4.704 1.006 1.00 0.00 C ATOM 744 C TYR A 47 126.379 4.283 1.325 1.00 0.00 C ATOM 745 O TYR A 47 125.835 4.629 2.374 1.00 0.00 O ATOM 746 CB TYR A 47 127.806 5.946 0.112 1.00 0.00 C ATOM 747 CG TYR A 47 127.921 7.245 0.878 1.00 0.00 C ATOM 748 CD1 TYR A 47 128.951 7.447 1.788 1.00 0.00 C ATOM 749 CD2 TYR A 47 127.001 8.268 0.690 1.00 0.00 C ATOM 750 CE1 TYR A 47 129.060 8.632 2.491 1.00 0.00 C ATOM 751 CE2 TYR A 47 127.104 9.456 1.388 1.00 0.00 C ATOM 752 CZ TYR A 47 128.135 9.633 2.287 1.00 0.00 C ATOM 753 OH TYR A 47 128.239 10.815 2.984 1.00 0.00 O ATOM 0 H TYR A 47 128.795 3.798 -0.606 1.00 0.00 H new ATOM 0 HA TYR A 47 128.324 4.949 1.935 1.00 0.00 H new ATOM 0 HB2 TYR A 47 128.633 5.876 -0.595 1.00 0.00 H new ATOM 0 HB3 TYR A 47 126.887 5.960 -0.473 1.00 0.00 H new ATOM 0 HD1 TYR A 47 129.679 6.665 1.949 1.00 0.00 H new ATOM 0 HD2 TYR A 47 126.192 8.133 -0.013 1.00 0.00 H new ATOM 0 HE1 TYR A 47 129.866 8.773 3.196 1.00 0.00 H new ATOM 0 HE2 TYR A 47 126.381 10.242 1.230 1.00 0.00 H new ATOM 0 HH TYR A 47 127.509 11.414 2.722 1.00 0.00 H new ATOM 763 N PHE A 48 125.782 3.516 0.414 1.00 0.00 N ATOM 764 CA PHE A 48 124.422 3.032 0.600 1.00 0.00 C ATOM 765 C PHE A 48 124.328 2.171 1.853 1.00 0.00 C ATOM 766 O PHE A 48 123.284 2.108 2.495 1.00 0.00 O ATOM 767 CB PHE A 48 123.923 2.263 -0.631 1.00 0.00 C ATOM 768 CG PHE A 48 122.826 2.987 -1.360 1.00 0.00 C ATOM 769 CD1 PHE A 48 122.886 4.362 -1.517 1.00 0.00 C ATOM 770 CD2 PHE A 48 121.735 2.302 -1.880 1.00 0.00 C ATOM 771 CE1 PHE A 48 121.883 5.044 -2.177 1.00 0.00 C ATOM 772 CE2 PHE A 48 120.731 2.983 -2.541 1.00 0.00 C ATOM 773 CZ PHE A 48 120.805 4.354 -2.689 1.00 0.00 C ATOM 0 H PHE A 48 126.221 3.219 -0.458 1.00 0.00 H new ATOM 0 HA PHE A 48 123.775 3.900 0.727 1.00 0.00 H new ATOM 0 HB2 PHE A 48 124.757 2.095 -1.312 1.00 0.00 H new ATOM 0 HB3 PHE A 48 123.562 1.282 -0.320 1.00 0.00 H new ATOM 0 HD1 PHE A 48 123.728 4.908 -1.118 1.00 0.00 H new ATOM 0 HD2 PHE A 48 121.671 1.230 -1.767 1.00 0.00 H new ATOM 0 HE1 PHE A 48 121.943 6.116 -2.292 1.00 0.00 H new ATOM 0 HE2 PHE A 48 119.887 2.442 -2.943 1.00 0.00 H new ATOM 0 HZ PHE A 48 120.019 4.885 -3.205 1.00 0.00 H new ATOM 783 N ARG A 49 125.422 1.500 2.197 1.00 0.00 N ATOM 784 CA ARG A 49 125.439 0.642 3.374 1.00 0.00 C ATOM 785 C ARG A 49 124.980 1.409 4.615 1.00 0.00 C ATOM 786 O ARG A 49 124.209 0.894 5.429 1.00 0.00 O ATOM 787 CB ARG A 49 126.844 0.080 3.599 1.00 0.00 C ATOM 788 CG ARG A 49 127.319 -0.837 2.482 1.00 0.00 C ATOM 789 CD ARG A 49 127.364 -2.291 2.928 1.00 0.00 C ATOM 790 NE ARG A 49 128.719 -2.835 2.885 1.00 0.00 N ATOM 791 CZ ARG A 49 129.653 -2.560 3.791 1.00 0.00 C ATOM 792 NH1 ARG A 49 129.378 -1.752 4.805 1.00 0.00 N ATOM 793 NH2 ARG A 49 130.862 -3.094 3.682 1.00 0.00 N ATOM 0 H ARG A 49 126.302 1.533 1.682 1.00 0.00 H new ATOM 0 HA ARG A 49 124.747 -0.183 3.202 1.00 0.00 H new ATOM 0 HB2 ARG A 49 127.545 0.908 3.701 1.00 0.00 H new ATOM 0 HB3 ARG A 49 126.860 -0.469 4.540 1.00 0.00 H new ATOM 0 HG2 ARG A 49 126.654 -0.740 1.624 1.00 0.00 H new ATOM 0 HG3 ARG A 49 128.311 -0.526 2.153 1.00 0.00 H new ATOM 0 HD2 ARG A 49 126.973 -2.371 3.942 1.00 0.00 H new ATOM 0 HD3 ARG A 49 126.714 -2.887 2.288 1.00 0.00 H new ATOM 0 HE ARG A 49 128.962 -3.461 2.117 1.00 0.00 H new ATOM 0 HH11 ARG A 49 128.449 -1.340 4.891 1.00 0.00 H new ATOM 0 HH12 ARG A 49 130.095 -1.542 5.499 1.00 0.00 H new ATOM 0 HH21 ARG A 49 131.076 -3.716 2.903 1.00 0.00 H new ATOM 0 HH22 ARG A 49 131.578 -2.882 4.377 1.00 0.00 H new ATOM 807 N GLU A 50 125.448 2.644 4.745 1.00 0.00 N ATOM 808 CA GLU A 50 125.093 3.492 5.881 1.00 0.00 C ATOM 809 C GLU A 50 123.584 3.738 5.971 1.00 0.00 C ATOM 810 O GLU A 50 123.052 3.965 7.058 1.00 0.00 O ATOM 811 CB GLU A 50 125.830 4.829 5.788 1.00 0.00 C ATOM 812 CG GLU A 50 127.292 4.745 6.194 1.00 0.00 C ATOM 813 CD GLU A 50 128.087 5.962 5.763 1.00 0.00 C ATOM 814 OE1 GLU A 50 127.650 6.652 4.818 1.00 0.00 O ATOM 815 OE2 GLU A 50 129.146 6.225 6.371 1.00 0.00 O ATOM 0 H GLU A 50 126.078 3.085 4.075 1.00 0.00 H new ATOM 0 HA GLU A 50 125.395 2.964 6.786 1.00 0.00 H new ATOM 0 HB2 GLU A 50 125.766 5.200 4.765 1.00 0.00 H new ATOM 0 HB3 GLU A 50 125.326 5.558 6.423 1.00 0.00 H new ATOM 0 HG2 GLU A 50 127.359 4.636 7.276 1.00 0.00 H new ATOM 0 HG3 GLU A 50 127.736 3.851 5.756 1.00 0.00 H new ATOM 822 N LEU A 51 122.907 3.730 4.828 1.00 0.00 N ATOM 823 CA LEU A 51 121.468 3.994 4.787 1.00 0.00 C ATOM 824 C LEU A 51 120.660 3.028 5.657 1.00 0.00 C ATOM 825 O LEU A 51 119.660 3.425 6.256 1.00 0.00 O ATOM 826 CB LEU A 51 120.954 3.933 3.346 1.00 0.00 C ATOM 827 CG LEU A 51 120.798 5.289 2.657 1.00 0.00 C ATOM 828 CD1 LEU A 51 120.829 5.127 1.145 1.00 0.00 C ATOM 829 CD2 LEU A 51 119.505 5.962 3.096 1.00 0.00 C ATOM 0 H LEU A 51 123.328 3.544 3.918 1.00 0.00 H new ATOM 0 HA LEU A 51 121.327 4.996 5.193 1.00 0.00 H new ATOM 0 HB2 LEU A 51 121.637 3.320 2.758 1.00 0.00 H new ATOM 0 HB3 LEU A 51 119.989 3.427 3.342 1.00 0.00 H new ATOM 0 HG LEU A 51 121.634 5.923 2.951 1.00 0.00 H new ATOM 0 HD11 LEU A 51 120.717 6.103 0.672 1.00 0.00 H new ATOM 0 HD12 LEU A 51 121.780 4.686 0.846 1.00 0.00 H new ATOM 0 HD13 LEU A 51 120.013 4.476 0.832 1.00 0.00 H new ATOM 0 HD21 LEU A 51 119.409 6.926 2.597 1.00 0.00 H new ATOM 0 HD22 LEU A 51 118.658 5.330 2.831 1.00 0.00 H new ATOM 0 HD23 LEU A 51 119.521 6.113 4.175 1.00 0.00 H new ATOM 841 N LEU A 52 121.075 1.765 5.730 1.00 0.00 N ATOM 842 CA LEU A 52 120.341 0.786 6.535 1.00 0.00 C ATOM 843 C LEU A 52 120.402 1.138 8.012 1.00 0.00 C ATOM 844 O LEU A 52 119.473 0.850 8.767 1.00 0.00 O ATOM 845 CB LEU A 52 120.877 -0.631 6.323 1.00 0.00 C ATOM 846 CG LEU A 52 120.171 -1.465 5.245 1.00 0.00 C ATOM 847 CD1 LEU A 52 119.508 -2.692 5.847 1.00 0.00 C ATOM 848 CD2 LEU A 52 119.145 -0.644 4.479 1.00 0.00 C ATOM 0 H LEU A 52 121.899 1.399 5.253 1.00 0.00 H new ATOM 0 HA LEU A 52 119.303 0.817 6.205 1.00 0.00 H new ATOM 0 HB2 LEU A 52 121.934 -0.563 6.067 1.00 0.00 H new ATOM 0 HB3 LEU A 52 120.812 -1.168 7.269 1.00 0.00 H new ATOM 0 HG LEU A 52 120.939 -1.790 4.543 1.00 0.00 H new ATOM 0 HD11 LEU A 52 119.016 -3.263 5.060 1.00 0.00 H new ATOM 0 HD12 LEU A 52 120.263 -3.314 6.329 1.00 0.00 H new ATOM 0 HD13 LEU A 52 118.769 -2.381 6.585 1.00 0.00 H new ATOM 0 HD21 LEU A 52 118.667 -1.270 3.725 1.00 0.00 H new ATOM 0 HD22 LEU A 52 118.390 -0.268 5.170 1.00 0.00 H new ATOM 0 HD23 LEU A 52 119.641 0.196 3.992 1.00 0.00 H new ATOM 860 N ALA A 53 121.498 1.760 8.426 1.00 0.00 N ATOM 861 CA ALA A 53 121.662 2.139 9.818 1.00 0.00 C ATOM 862 C ALA A 53 120.514 3.033 10.264 1.00 0.00 C ATOM 863 O ALA A 53 120.068 2.963 11.410 1.00 0.00 O ATOM 864 CB ALA A 53 122.995 2.844 10.022 1.00 0.00 C ATOM 0 H ALA A 53 122.280 2.010 7.821 1.00 0.00 H new ATOM 0 HA ALA A 53 121.652 1.235 10.427 1.00 0.00 H new ATOM 0 HB1 ALA A 53 123.103 3.122 11.070 1.00 0.00 H new ATOM 0 HB2 ALA A 53 123.808 2.175 9.738 1.00 0.00 H new ATOM 0 HB3 ALA A 53 123.031 3.741 9.404 1.00 0.00 H new ATOM 870 N GLY A 54 120.017 3.857 9.345 1.00 0.00 N ATOM 871 CA GLY A 54 118.913 4.736 9.672 1.00 0.00 C ATOM 872 C GLY A 54 117.700 3.961 10.134 1.00 0.00 C ATOM 873 O GLY A 54 117.052 4.329 11.114 1.00 0.00 O ATOM 0 H GLY A 54 120.358 3.930 8.386 1.00 0.00 H new ATOM 0 HA2 GLY A 54 119.220 5.431 10.453 1.00 0.00 H new ATOM 0 HA3 GLY A 54 118.652 5.333 8.798 1.00 0.00 H new ATOM 877 N VAL A 55 117.411 2.867 9.443 1.00 0.00 N ATOM 878 CA VAL A 55 116.287 2.017 9.799 1.00 0.00 C ATOM 879 C VAL A 55 116.561 1.328 11.127 1.00 0.00 C ATOM 880 O VAL A 55 115.649 1.078 11.917 1.00 0.00 O ATOM 881 CB VAL A 55 116.018 0.949 8.722 1.00 0.00 C ATOM 882 CG1 VAL A 55 114.550 0.554 8.716 1.00 0.00 C ATOM 883 CG2 VAL A 55 116.447 1.453 7.352 1.00 0.00 C ATOM 0 H VAL A 55 117.941 2.548 8.632 1.00 0.00 H new ATOM 0 HA VAL A 55 115.405 2.653 9.879 1.00 0.00 H new ATOM 0 HB VAL A 55 116.607 0.063 8.960 1.00 0.00 H new ATOM 0 HG11 VAL A 55 114.380 -0.201 7.949 1.00 0.00 H new ATOM 0 HG12 VAL A 55 114.278 0.149 9.691 1.00 0.00 H new ATOM 0 HG13 VAL A 55 113.938 1.431 8.504 1.00 0.00 H new ATOM 0 HG21 VAL A 55 116.250 0.685 6.604 1.00 0.00 H new ATOM 0 HG22 VAL A 55 115.886 2.354 7.104 1.00 0.00 H new ATOM 0 HG23 VAL A 55 117.513 1.681 7.365 1.00 0.00 H new ATOM 893 N ALA A 56 117.834 1.025 11.358 1.00 0.00 N ATOM 894 CA ALA A 56 118.261 0.363 12.579 1.00 0.00 C ATOM 895 C ALA A 56 118.161 1.298 13.778 1.00 0.00 C ATOM 896 O ALA A 56 118.101 0.852 14.923 1.00 0.00 O ATOM 897 CB ALA A 56 119.682 -0.146 12.409 1.00 0.00 C ATOM 0 H ALA A 56 118.592 1.231 10.707 1.00 0.00 H new ATOM 0 HA ALA A 56 117.598 -0.481 12.769 1.00 0.00 H new ATOM 0 HB1 ALA A 56 120.003 -0.643 13.325 1.00 0.00 H new ATOM 0 HB2 ALA A 56 119.718 -0.854 11.581 1.00 0.00 H new ATOM 0 HB3 ALA A 56 120.346 0.692 12.199 1.00 0.00 H new ATOM 903 N THR A 57 118.140 2.599 13.505 1.00 0.00 N ATOM 904 CA THR A 57 118.045 3.599 14.563 1.00 0.00 C ATOM 905 C THR A 57 116.805 4.468 14.379 1.00 0.00 C ATOM 906 O THR A 57 116.540 5.363 15.180 1.00 0.00 O ATOM 907 CB THR A 57 119.299 4.474 14.581 1.00 0.00 C ATOM 908 OG1 THR A 57 119.512 5.072 13.314 1.00 0.00 O ATOM 909 CG2 THR A 57 120.556 3.712 14.945 1.00 0.00 C ATOM 0 H THR A 57 118.187 2.985 12.562 1.00 0.00 H new ATOM 0 HA THR A 57 117.962 3.077 15.516 1.00 0.00 H new ATOM 0 HB THR A 57 119.114 5.227 15.348 1.00 0.00 H new ATOM 0 HG1 THR A 57 119.735 4.379 12.658 1.00 0.00 H new ATOM 0 HG21 THR A 57 121.408 4.392 14.939 1.00 0.00 H new ATOM 0 HG22 THR A 57 120.444 3.279 15.939 1.00 0.00 H new ATOM 0 HG23 THR A 57 120.722 2.916 14.219 1.00 0.00 H new ATOM 917 N ASN A 58 116.048 4.197 13.320 1.00 0.00 N ATOM 918 CA ASN A 58 114.837 4.954 13.033 1.00 0.00 C ATOM 919 C ASN A 58 113.791 4.070 12.367 1.00 0.00 C ATOM 920 O ASN A 58 113.043 4.521 11.500 1.00 0.00 O ATOM 921 CB ASN A 58 115.157 6.151 12.137 1.00 0.00 C ATOM 922 CG ASN A 58 116.174 7.086 12.759 1.00 0.00 C ATOM 923 OD1 ASN A 58 116.037 7.492 13.914 1.00 0.00 O ATOM 924 ND2 ASN A 58 117.204 7.435 11.997 1.00 0.00 N ATOM 0 H ASN A 58 116.253 3.458 12.647 1.00 0.00 H new ATOM 0 HA ASN A 58 114.432 5.317 13.978 1.00 0.00 H new ATOM 0 HB2 ASN A 58 115.535 5.793 11.179 1.00 0.00 H new ATOM 0 HB3 ASN A 58 114.239 6.702 11.931 1.00 0.00 H new ATOM 0 HD21 ASN A 58 117.920 8.062 12.363 1.00 0.00 H new ATOM 0 HD22 ASN A 58 117.279 7.076 11.045 1.00 0.00 H new ATOM 931 N THR A 59 113.735 2.807 12.777 1.00 0.00 N ATOM 932 CA THR A 59 112.769 1.871 12.216 1.00 0.00 C ATOM 933 C THR A 59 111.351 2.318 12.548 1.00 0.00 C ATOM 934 O THR A 59 110.488 2.388 11.672 1.00 0.00 O ATOM 935 CB THR A 59 113.011 0.456 12.750 1.00 0.00 C ATOM 936 OG1 THR A 59 114.123 0.432 13.627 1.00 0.00 O ATOM 937 CG2 THR A 59 113.267 -0.561 11.658 1.00 0.00 C ATOM 0 H THR A 59 114.344 2.410 13.492 1.00 0.00 H new ATOM 0 HA THR A 59 112.894 1.858 11.133 1.00 0.00 H new ATOM 0 HB THR A 59 112.092 0.185 13.270 1.00 0.00 H new ATOM 0 HG1 THR A 59 114.944 0.599 13.119 1.00 0.00 H new ATOM 0 HG21 THR A 59 113.430 -1.542 12.105 1.00 0.00 H new ATOM 0 HG22 THR A 59 112.405 -0.605 10.992 1.00 0.00 H new ATOM 0 HG23 THR A 59 114.150 -0.270 11.089 1.00 0.00 H new ATOM 945 N ALA A 60 111.123 2.635 13.818 1.00 0.00 N ATOM 946 CA ALA A 60 109.815 3.091 14.270 1.00 0.00 C ATOM 947 C ALA A 60 109.414 4.370 13.546 1.00 0.00 C ATOM 948 O ALA A 60 108.232 4.638 13.338 1.00 0.00 O ATOM 949 CB ALA A 60 109.823 3.313 15.775 1.00 0.00 C ATOM 0 H ALA A 60 111.828 2.584 14.553 1.00 0.00 H new ATOM 0 HA ALA A 60 109.081 2.320 14.036 1.00 0.00 H new ATOM 0 HB1 ALA A 60 108.839 3.653 16.098 1.00 0.00 H new ATOM 0 HB2 ALA A 60 110.067 2.378 16.279 1.00 0.00 H new ATOM 0 HB3 ALA A 60 110.569 4.067 16.028 1.00 0.00 H new ATOM 955 N TYR A 61 110.416 5.148 13.149 1.00 0.00 N ATOM 956 CA TYR A 61 110.182 6.394 12.433 1.00 0.00 C ATOM 957 C TYR A 61 109.478 6.095 11.123 1.00 0.00 C ATOM 958 O TYR A 61 108.511 6.761 10.754 1.00 0.00 O ATOM 959 CB TYR A 61 111.505 7.123 12.182 1.00 0.00 C ATOM 960 CG TYR A 61 111.486 8.042 10.982 1.00 0.00 C ATOM 961 CD1 TYR A 61 110.428 8.918 10.767 1.00 0.00 C ATOM 962 CD2 TYR A 61 112.531 8.038 10.068 1.00 0.00 C ATOM 963 CE1 TYR A 61 110.415 9.763 9.673 1.00 0.00 C ATOM 964 CE2 TYR A 61 112.524 8.880 8.973 1.00 0.00 C ATOM 965 CZ TYR A 61 111.465 9.740 8.780 1.00 0.00 C ATOM 966 OH TYR A 61 111.459 10.582 7.692 1.00 0.00 O ATOM 0 H TYR A 61 111.400 4.935 13.312 1.00 0.00 H new ATOM 0 HA TYR A 61 109.550 7.045 13.037 1.00 0.00 H new ATOM 0 HB2 TYR A 61 111.760 7.705 13.068 1.00 0.00 H new ATOM 0 HB3 TYR A 61 112.295 6.384 12.048 1.00 0.00 H new ATOM 0 HD1 TYR A 61 109.604 8.939 11.465 1.00 0.00 H new ATOM 0 HD2 TYR A 61 113.363 7.365 10.216 1.00 0.00 H new ATOM 0 HE1 TYR A 61 109.586 10.438 9.519 1.00 0.00 H new ATOM 0 HE2 TYR A 61 113.345 8.864 8.271 1.00 0.00 H new ATOM 0 HH TYR A 61 112.146 11.272 7.808 1.00 0.00 H new ATOM 976 N LEU A 62 109.947 5.056 10.446 1.00 0.00 N ATOM 977 CA LEU A 62 109.338 4.628 9.202 1.00 0.00 C ATOM 978 C LEU A 62 107.949 4.088 9.508 1.00 0.00 C ATOM 979 O LEU A 62 107.028 4.185 8.695 1.00 0.00 O ATOM 980 CB LEU A 62 110.191 3.552 8.524 1.00 0.00 C ATOM 981 CG LEU A 62 111.565 4.019 8.037 1.00 0.00 C ATOM 982 CD1 LEU A 62 112.235 2.931 7.212 1.00 0.00 C ATOM 983 CD2 LEU A 62 111.437 5.301 7.228 1.00 0.00 C ATOM 0 H LEU A 62 110.747 4.496 10.740 1.00 0.00 H new ATOM 0 HA LEU A 62 109.267 5.474 8.518 1.00 0.00 H new ATOM 0 HB2 LEU A 62 110.332 2.729 9.224 1.00 0.00 H new ATOM 0 HB3 LEU A 62 109.637 3.155 7.673 1.00 0.00 H new ATOM 0 HG LEU A 62 112.188 4.224 8.908 1.00 0.00 H new ATOM 0 HD11 LEU A 62 113.211 3.280 6.874 1.00 0.00 H new ATOM 0 HD12 LEU A 62 112.361 2.037 7.823 1.00 0.00 H new ATOM 0 HD13 LEU A 62 111.614 2.696 6.348 1.00 0.00 H new ATOM 0 HD21 LEU A 62 112.424 5.618 6.890 1.00 0.00 H new ATOM 0 HD22 LEU A 62 110.797 5.123 6.364 1.00 0.00 H new ATOM 0 HD23 LEU A 62 110.998 6.081 7.850 1.00 0.00 H new ATOM 995 N ASP A 63 107.808 3.531 10.708 1.00 0.00 N ATOM 996 CA ASP A 63 106.534 2.983 11.151 1.00 0.00 C ATOM 997 C ASP A 63 105.493 4.090 11.262 1.00 0.00 C ATOM 998 O ASP A 63 104.291 3.838 11.183 1.00 0.00 O ATOM 999 CB ASP A 63 106.695 2.278 12.498 1.00 0.00 C ATOM 1000 CG ASP A 63 105.868 2.924 13.593 1.00 0.00 C ATOM 1001 OD1 ASP A 63 105.993 4.152 13.785 1.00 0.00 O ATOM 1002 OD2 ASP A 63 105.097 2.202 14.259 1.00 0.00 O ATOM 0 H ASP A 63 108.562 3.448 11.390 1.00 0.00 H new ATOM 0 HA ASP A 63 106.197 2.255 10.414 1.00 0.00 H new ATOM 0 HB2 ASP A 63 106.403 1.233 12.395 1.00 0.00 H new ATOM 0 HB3 ASP A 63 107.746 2.288 12.787 1.00 0.00 H new ATOM 1007 N GLY A 64 105.968 5.316 11.453 1.00 0.00 N ATOM 1008 CA GLY A 64 105.075 6.449 11.582 1.00 0.00 C ATOM 1009 C GLY A 64 104.222 6.669 10.347 1.00 0.00 C ATOM 1010 O GLY A 64 103.059 7.057 10.458 1.00 0.00 O ATOM 0 H GLY A 64 106.960 5.544 11.521 1.00 0.00 H new ATOM 0 HA2 GLY A 64 104.426 6.298 12.444 1.00 0.00 H new ATOM 0 HA3 GLY A 64 105.661 7.347 11.778 1.00 0.00 H new ATOM 1014 N LEU A 65 104.788 6.418 9.170 1.00 0.00 N ATOM 1015 CA LEU A 65 104.040 6.594 7.929 1.00 0.00 C ATOM 1016 C LEU A 65 103.513 5.257 7.422 1.00 0.00 C ATOM 1017 O LEU A 65 102.581 5.209 6.621 1.00 0.00 O ATOM 1018 CB LEU A 65 104.897 7.282 6.858 1.00 0.00 C ATOM 1019 CG LEU A 65 106.190 6.565 6.467 1.00 0.00 C ATOM 1020 CD1 LEU A 65 106.592 6.944 5.046 1.00 0.00 C ATOM 1021 CD2 LEU A 65 107.302 6.913 7.444 1.00 0.00 C ATOM 0 H LEU A 65 105.748 6.097 9.049 1.00 0.00 H new ATOM 0 HA LEU A 65 103.188 7.240 8.141 1.00 0.00 H new ATOM 0 HB2 LEU A 65 104.290 7.408 5.961 1.00 0.00 H new ATOM 0 HB3 LEU A 65 105.152 8.281 7.212 1.00 0.00 H new ATOM 0 HG LEU A 65 106.020 5.489 6.505 1.00 0.00 H new ATOM 0 HD11 LEU A 65 107.514 6.428 4.779 1.00 0.00 H new ATOM 0 HD12 LEU A 65 105.800 6.655 4.355 1.00 0.00 H new ATOM 0 HD13 LEU A 65 106.749 8.021 4.987 1.00 0.00 H new ATOM 0 HD21 LEU A 65 108.216 6.396 7.154 1.00 0.00 H new ATOM 0 HD22 LEU A 65 107.474 7.989 7.431 1.00 0.00 H new ATOM 0 HD23 LEU A 65 107.014 6.604 8.449 1.00 0.00 H new ATOM 1033 N MET A 66 104.104 4.169 7.907 1.00 0.00 N ATOM 1034 CA MET A 66 103.681 2.831 7.514 1.00 0.00 C ATOM 1035 C MET A 66 102.526 2.357 8.392 1.00 0.00 C ATOM 1036 O MET A 66 101.576 1.742 7.911 1.00 0.00 O ATOM 1037 CB MET A 66 104.853 1.852 7.610 1.00 0.00 C ATOM 1038 CG MET A 66 104.455 0.461 8.075 1.00 0.00 C ATOM 1039 SD MET A 66 103.189 -0.287 7.032 1.00 0.00 S ATOM 1040 CE MET A 66 104.201 -1.055 5.769 1.00 0.00 C ATOM 0 H MET A 66 104.877 4.189 8.572 1.00 0.00 H new ATOM 0 HA MET A 66 103.340 2.868 6.479 1.00 0.00 H new ATOM 0 HB2 MET A 66 105.331 1.775 6.633 1.00 0.00 H new ATOM 0 HB3 MET A 66 105.596 2.256 8.298 1.00 0.00 H new ATOM 0 HG2 MET A 66 105.337 -0.180 8.085 1.00 0.00 H new ATOM 0 HG3 MET A 66 104.089 0.516 9.100 1.00 0.00 H new ATOM 0 HE1 MET A 66 104.033 -0.556 4.815 1.00 0.00 H new ATOM 0 HE2 MET A 66 105.252 -0.969 6.043 1.00 0.00 H new ATOM 0 HE3 MET A 66 103.934 -2.108 5.679 1.00 0.00 H new ATOM 1050 N LYS A 67 102.618 2.656 9.683 1.00 0.00 N ATOM 1051 CA LYS A 67 101.586 2.272 10.639 1.00 0.00 C ATOM 1052 C LYS A 67 100.191 2.362 10.023 1.00 0.00 C ATOM 1053 O LYS A 67 99.442 1.385 10.019 1.00 0.00 O ATOM 1054 CB LYS A 67 101.658 3.160 11.882 1.00 0.00 C ATOM 1055 CG LYS A 67 102.272 2.468 13.088 1.00 0.00 C ATOM 1056 CD LYS A 67 101.212 1.787 13.939 1.00 0.00 C ATOM 1057 CE LYS A 67 100.610 2.747 14.952 1.00 0.00 C ATOM 1058 NZ LYS A 67 101.292 2.661 16.273 1.00 0.00 N ATOM 0 H LYS A 67 103.401 3.166 10.093 1.00 0.00 H new ATOM 0 HA LYS A 67 101.768 1.235 10.922 1.00 0.00 H new ATOM 0 HB2 LYS A 67 102.241 4.051 11.649 1.00 0.00 H new ATOM 0 HB3 LYS A 67 100.653 3.495 12.138 1.00 0.00 H new ATOM 0 HG2 LYS A 67 103.001 1.730 12.753 1.00 0.00 H new ATOM 0 HG3 LYS A 67 102.812 3.198 13.692 1.00 0.00 H new ATOM 0 HD2 LYS A 67 100.425 1.394 13.296 1.00 0.00 H new ATOM 0 HD3 LYS A 67 101.653 0.937 14.459 1.00 0.00 H new ATOM 0 HE2 LYS A 67 100.681 3.766 14.573 1.00 0.00 H new ATOM 0 HE3 LYS A 67 99.550 2.526 15.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 100.852 3.331 16.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 101.203 1.695 16.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 102.299 2.897 16.160 1.00 0.00 H new ATOM 1072 N PRO A 68 99.818 3.543 9.497 1.00 0.00 N ATOM 1073 CA PRO A 68 98.518 3.768 8.888 1.00 0.00 C ATOM 1074 C PRO A 68 97.922 2.505 8.273 1.00 0.00 C ATOM 1075 O PRO A 68 96.709 2.296 8.321 1.00 0.00 O ATOM 1076 CB PRO A 68 98.839 4.800 7.811 1.00 0.00 C ATOM 1077 CG PRO A 68 100.018 5.569 8.331 1.00 0.00 C ATOM 1078 CD PRO A 68 100.631 4.765 9.457 1.00 0.00 C ATOM 0 HA PRO A 68 97.769 4.089 9.611 1.00 0.00 H new ATOM 0 HB2 PRO A 68 99.073 4.317 6.862 1.00 0.00 H new ATOM 0 HB3 PRO A 68 97.989 5.458 7.633 1.00 0.00 H new ATOM 0 HG2 PRO A 68 100.747 5.734 7.538 1.00 0.00 H new ATOM 0 HG3 PRO A 68 99.707 6.551 8.687 1.00 0.00 H new ATOM 0 HD2 PRO A 68 101.680 4.541 9.264 1.00 0.00 H new ATOM 0 HD3 PRO A 68 100.589 5.305 10.403 1.00 0.00 H new ATOM 1086 N TYR A 69 98.775 1.664 7.700 1.00 0.00 N ATOM 1087 CA TYR A 69 98.319 0.425 7.082 1.00 0.00 C ATOM 1088 C TYR A 69 99.058 -0.780 7.655 1.00 0.00 C ATOM 1089 O TYR A 69 99.984 -1.306 7.037 1.00 0.00 O ATOM 1090 CB TYR A 69 98.510 0.481 5.568 1.00 0.00 C ATOM 1091 CG TYR A 69 99.931 0.758 5.155 1.00 0.00 C ATOM 1092 CD1 TYR A 69 100.463 2.036 5.253 1.00 0.00 C ATOM 1093 CD2 TYR A 69 100.744 -0.257 4.671 1.00 0.00 C ATOM 1094 CE1 TYR A 69 101.764 2.296 4.880 1.00 0.00 C ATOM 1095 CE2 TYR A 69 102.049 -0.006 4.296 1.00 0.00 C ATOM 1096 CZ TYR A 69 102.555 1.272 4.402 1.00 0.00 C ATOM 1097 OH TYR A 69 103.854 1.527 4.028 1.00 0.00 O ATOM 0 H TYR A 69 99.782 1.817 7.650 1.00 0.00 H new ATOM 0 HA TYR A 69 97.257 0.314 7.303 1.00 0.00 H new ATOM 0 HB2 TYR A 69 98.191 -0.467 5.134 1.00 0.00 H new ATOM 0 HB3 TYR A 69 97.862 1.255 5.156 1.00 0.00 H new ATOM 0 HD1 TYR A 69 99.847 2.840 5.628 1.00 0.00 H new ATOM 0 HD2 TYR A 69 100.350 -1.259 4.586 1.00 0.00 H new ATOM 0 HE1 TYR A 69 102.162 3.297 4.962 1.00 0.00 H new ATOM 0 HE2 TYR A 69 102.670 -0.806 3.922 1.00 0.00 H new ATOM 0 HH TYR A 69 103.881 2.327 3.463 1.00 0.00 H new ATOM 1107 N LEU A 70 98.640 -1.214 8.841 1.00 0.00 N ATOM 1108 CA LEU A 70 99.260 -2.358 9.499 1.00 0.00 C ATOM 1109 C LEU A 70 98.304 -3.546 9.535 1.00 0.00 C ATOM 1110 O LEU A 70 97.251 -3.489 10.172 1.00 0.00 O ATOM 1111 CB LEU A 70 99.685 -1.991 10.922 1.00 0.00 C ATOM 1112 CG LEU A 70 100.831 -0.982 11.018 1.00 0.00 C ATOM 1113 CD1 LEU A 70 101.787 -1.368 12.136 1.00 0.00 C ATOM 1114 CD2 LEU A 70 101.570 -0.886 9.693 1.00 0.00 C ATOM 0 H LEU A 70 97.875 -0.790 9.365 1.00 0.00 H new ATOM 0 HA LEU A 70 100.144 -2.638 8.925 1.00 0.00 H new ATOM 0 HB2 LEU A 70 98.821 -1.587 11.450 1.00 0.00 H new ATOM 0 HB3 LEU A 70 99.979 -2.902 11.443 1.00 0.00 H new ATOM 0 HG LEU A 70 100.410 -0.003 11.247 1.00 0.00 H new ATOM 0 HD11 LEU A 70 102.596 -0.640 12.190 1.00 0.00 H new ATOM 0 HD12 LEU A 70 101.250 -1.385 13.084 1.00 0.00 H new ATOM 0 HD13 LEU A 70 102.201 -2.356 11.936 1.00 0.00 H new ATOM 0 HD21 LEU A 70 102.382 -0.164 9.781 1.00 0.00 H new ATOM 0 HD22 LEU A 70 101.980 -1.862 9.433 1.00 0.00 H new ATOM 0 HD23 LEU A 70 100.879 -0.563 8.914 1.00 0.00 H new ATOM 1126 N SER A 71 98.677 -4.622 8.851 1.00 0.00 N ATOM 1127 CA SER A 71 97.851 -5.823 8.806 1.00 0.00 C ATOM 1128 C SER A 71 97.736 -6.455 10.190 1.00 0.00 C ATOM 1129 O SER A 71 98.212 -7.567 10.418 1.00 0.00 O ATOM 1130 CB SER A 71 98.436 -6.834 7.818 1.00 0.00 C ATOM 1131 OG SER A 71 97.811 -6.728 6.551 1.00 0.00 O ATOM 0 H SER A 71 99.546 -4.687 8.320 1.00 0.00 H new ATOM 0 HA SER A 71 96.854 -5.536 8.472 1.00 0.00 H new ATOM 0 HB2 SER A 71 99.508 -6.667 7.713 1.00 0.00 H new ATOM 0 HB3 SER A 71 98.307 -7.844 8.207 1.00 0.00 H new ATOM 0 HG SER A 71 98.203 -7.383 5.937 1.00 0.00 H new ATOM 1137 N ARG A 72 97.102 -5.737 11.111 1.00 0.00 N ATOM 1138 CA ARG A 72 96.925 -6.227 12.474 1.00 0.00 C ATOM 1139 C ARG A 72 98.257 -6.259 13.216 1.00 0.00 C ATOM 1140 O ARG A 72 98.467 -5.506 14.168 1.00 0.00 O ATOM 1141 CB ARG A 72 96.302 -7.624 12.459 1.00 0.00 C ATOM 1142 CG ARG A 72 95.075 -7.733 11.569 1.00 0.00 C ATOM 1143 CD ARG A 72 95.289 -8.730 10.443 1.00 0.00 C ATOM 1144 NE ARG A 72 94.051 -9.017 9.723 1.00 0.00 N ATOM 1145 CZ ARG A 72 93.034 -9.692 10.247 1.00 0.00 C ATOM 1146 NH1 ARG A 72 93.108 -10.147 11.490 1.00 0.00 N ATOM 1147 NH2 ARG A 72 91.942 -9.911 9.528 1.00 0.00 N ATOM 0 H ARG A 72 96.702 -4.814 10.939 1.00 0.00 H new ATOM 0 HA ARG A 72 96.255 -5.544 12.996 1.00 0.00 H new ATOM 0 HB2 ARG A 72 97.049 -8.343 12.123 1.00 0.00 H new ATOM 0 HB3 ARG A 72 96.028 -7.902 13.477 1.00 0.00 H new ATOM 0 HG2 ARG A 72 94.216 -8.038 12.167 1.00 0.00 H new ATOM 0 HG3 ARG A 72 94.840 -6.754 11.150 1.00 0.00 H new ATOM 0 HD2 ARG A 72 96.030 -8.337 9.747 1.00 0.00 H new ATOM 0 HD3 ARG A 72 95.694 -9.656 10.851 1.00 0.00 H new ATOM 0 HE ARG A 72 93.962 -8.680 8.764 1.00 0.00 H new ATOM 0 HH11 ARG A 72 93.947 -9.979 12.046 1.00 0.00 H new ATOM 0 HH12 ARG A 72 92.326 -10.665 11.891 1.00 0.00 H new ATOM 0 HH21 ARG A 72 91.882 -9.561 8.572 1.00 0.00 H new ATOM 0 HH22 ARG A 72 91.161 -10.429 9.931 1.00 0.00 H new ATOM 1161 N LEU A 73 99.153 -7.135 12.775 1.00 0.00 N ATOM 1162 CA LEU A 73 100.466 -7.264 13.397 1.00 0.00 C ATOM 1163 C LEU A 73 101.552 -7.438 12.341 1.00 0.00 C ATOM 1164 O LEU A 73 101.452 -8.298 11.467 1.00 0.00 O ATOM 1165 CB LEU A 73 100.482 -8.453 14.361 1.00 0.00 C ATOM 1166 CG LEU A 73 99.148 -8.747 15.050 1.00 0.00 C ATOM 1167 CD1 LEU A 73 98.562 -10.054 14.542 1.00 0.00 C ATOM 1168 CD2 LEU A 73 99.329 -8.792 16.560 1.00 0.00 C ATOM 0 H LEU A 73 98.994 -7.766 11.990 1.00 0.00 H new ATOM 0 HA LEU A 73 100.668 -6.350 13.955 1.00 0.00 H new ATOM 0 HB2 LEU A 73 100.794 -9.342 13.812 1.00 0.00 H new ATOM 0 HB3 LEU A 73 101.236 -8.270 15.126 1.00 0.00 H new ATOM 0 HG LEU A 73 98.451 -7.944 14.811 1.00 0.00 H new ATOM 0 HD11 LEU A 73 97.613 -10.247 15.043 1.00 0.00 H new ATOM 0 HD12 LEU A 73 98.397 -9.985 13.467 1.00 0.00 H new ATOM 0 HD13 LEU A 73 99.255 -10.869 14.751 1.00 0.00 H new ATOM 0 HD21 LEU A 73 98.371 -9.002 17.035 1.00 0.00 H new ATOM 0 HD22 LEU A 73 100.041 -9.576 16.818 1.00 0.00 H new ATOM 0 HD23 LEU A 73 99.705 -7.831 16.910 1.00 0.00 H new ATOM 1180 N LEU A 74 102.591 -6.614 12.429 1.00 0.00 N ATOM 1181 CA LEU A 74 103.698 -6.675 11.482 1.00 0.00 C ATOM 1182 C LEU A 74 104.452 -7.994 11.611 1.00 0.00 C ATOM 1183 O LEU A 74 104.926 -8.549 10.619 1.00 0.00 O ATOM 1184 CB LEU A 74 104.655 -5.501 11.705 1.00 0.00 C ATOM 1185 CG LEU A 74 103.986 -4.129 11.808 1.00 0.00 C ATOM 1186 CD1 LEU A 74 103.974 -3.648 13.251 1.00 0.00 C ATOM 1187 CD2 LEU A 74 104.694 -3.121 10.916 1.00 0.00 C ATOM 0 H LEU A 74 102.689 -5.896 13.147 1.00 0.00 H new ATOM 0 HA LEU A 74 103.286 -6.610 10.475 1.00 0.00 H new ATOM 0 HB2 LEU A 74 105.220 -5.682 12.619 1.00 0.00 H new ATOM 0 HB3 LEU A 74 105.373 -5.477 10.885 1.00 0.00 H new ATOM 0 HG LEU A 74 102.955 -4.224 11.468 1.00 0.00 H new ATOM 0 HD11 LEU A 74 103.494 -2.671 13.305 1.00 0.00 H new ATOM 0 HD12 LEU A 74 103.421 -4.358 13.867 1.00 0.00 H new ATOM 0 HD13 LEU A 74 104.998 -3.570 13.617 1.00 0.00 H new ATOM 0 HD21 LEU A 74 104.204 -2.151 11.003 1.00 0.00 H new ATOM 0 HD22 LEU A 74 105.735 -3.030 11.225 1.00 0.00 H new ATOM 0 HD23 LEU A 74 104.651 -3.458 9.880 1.00 0.00 H new ATOM 1199 N GLU A 75 104.559 -8.492 12.838 1.00 0.00 N ATOM 1200 CA GLU A 75 105.255 -9.748 13.093 1.00 0.00 C ATOM 1201 C GLU A 75 104.618 -10.889 12.308 1.00 0.00 C ATOM 1202 O GLU A 75 105.291 -11.846 11.926 1.00 0.00 O ATOM 1203 CB GLU A 75 105.241 -10.070 14.588 1.00 0.00 C ATOM 1204 CG GLU A 75 106.547 -10.658 15.096 1.00 0.00 C ATOM 1205 CD GLU A 75 106.914 -10.153 16.478 1.00 0.00 C ATOM 1206 OE1 GLU A 75 106.149 -10.417 17.430 1.00 0.00 O ATOM 1207 OE2 GLU A 75 107.967 -9.493 16.608 1.00 0.00 O ATOM 0 H GLU A 75 104.173 -8.046 13.670 1.00 0.00 H new ATOM 0 HA GLU A 75 106.288 -9.636 12.764 1.00 0.00 H new ATOM 0 HB2 GLU A 75 105.021 -9.159 15.145 1.00 0.00 H new ATOM 0 HB3 GLU A 75 104.432 -10.772 14.792 1.00 0.00 H new ATOM 0 HG2 GLU A 75 106.467 -11.745 15.119 1.00 0.00 H new ATOM 0 HG3 GLU A 75 107.348 -10.412 14.399 1.00 0.00 H new ATOM 1214 N GLU A 76 103.314 -10.779 12.067 1.00 0.00 N ATOM 1215 CA GLU A 76 102.587 -11.800 11.324 1.00 0.00 C ATOM 1216 C GLU A 76 103.093 -11.885 9.888 1.00 0.00 C ATOM 1217 O GLU A 76 103.821 -12.813 9.531 1.00 0.00 O ATOM 1218 CB GLU A 76 101.087 -11.496 11.332 1.00 0.00 C ATOM 1219 CG GLU A 76 100.289 -12.392 12.264 1.00 0.00 C ATOM 1220 CD GLU A 76 99.824 -13.668 11.589 1.00 0.00 C ATOM 1221 OE1 GLU A 76 100.102 -13.837 10.384 1.00 0.00 O ATOM 1222 OE2 GLU A 76 99.182 -14.497 12.266 1.00 0.00 O ATOM 0 H GLU A 76 102.741 -9.993 12.376 1.00 0.00 H new ATOM 0 HA GLU A 76 102.757 -12.761 11.810 1.00 0.00 H new ATOM 0 HB2 GLU A 76 100.937 -10.457 11.624 1.00 0.00 H new ATOM 0 HB3 GLU A 76 100.698 -11.601 10.319 1.00 0.00 H new ATOM 0 HG2 GLU A 76 100.900 -12.645 13.130 1.00 0.00 H new ATOM 0 HG3 GLU A 76 99.422 -11.845 12.635 1.00 0.00 H new ATOM 1229 N LEU A 77 102.708 -10.911 9.071 1.00 0.00 N ATOM 1230 CA LEU A 77 103.128 -10.873 7.677 1.00 0.00 C ATOM 1231 C LEU A 77 103.927 -9.607 7.396 1.00 0.00 C ATOM 1232 O LEU A 77 103.595 -8.530 7.891 1.00 0.00 O ATOM 1233 CB LEU A 77 101.905 -10.953 6.755 1.00 0.00 C ATOM 1234 CG LEU A 77 101.830 -9.900 5.643 1.00 0.00 C ATOM 1235 CD1 LEU A 77 101.645 -8.507 6.226 1.00 0.00 C ATOM 1236 CD2 LEU A 77 103.069 -9.957 4.758 1.00 0.00 C ATOM 0 H LEU A 77 102.105 -10.137 9.351 1.00 0.00 H new ATOM 0 HA LEU A 77 103.769 -11.733 7.481 1.00 0.00 H new ATOM 0 HB2 LEU A 77 101.886 -11.941 6.294 1.00 0.00 H new ATOM 0 HB3 LEU A 77 101.007 -10.870 7.368 1.00 0.00 H new ATOM 0 HG LEU A 77 100.961 -10.125 5.024 1.00 0.00 H new ATOM 0 HD11 LEU A 77 101.595 -7.778 5.417 1.00 0.00 H new ATOM 0 HD12 LEU A 77 100.721 -8.474 6.803 1.00 0.00 H new ATOM 0 HD13 LEU A 77 102.487 -8.270 6.876 1.00 0.00 H new ATOM 0 HD21 LEU A 77 102.993 -9.201 3.977 1.00 0.00 H new ATOM 0 HD22 LEU A 77 103.956 -9.767 5.362 1.00 0.00 H new ATOM 0 HD23 LEU A 77 103.145 -10.944 4.302 1.00 0.00 H new ATOM 1248 N GLY A 78 104.981 -9.741 6.602 1.00 0.00 N ATOM 1249 CA GLY A 78 105.803 -8.595 6.275 1.00 0.00 C ATOM 1250 C GLY A 78 107.233 -8.970 5.952 1.00 0.00 C ATOM 1251 O GLY A 78 108.163 -8.534 6.630 1.00 0.00 O ATOM 0 H GLY A 78 105.280 -10.620 6.180 1.00 0.00 H new ATOM 0 HA2 GLY A 78 105.368 -8.073 5.423 1.00 0.00 H new ATOM 0 HA3 GLY A 78 105.796 -7.898 7.113 1.00 0.00 H new ATOM 1255 N GLN A 79 107.414 -9.772 4.910 1.00 0.00 N ATOM 1256 CA GLN A 79 108.746 -10.190 4.503 1.00 0.00 C ATOM 1257 C GLN A 79 109.338 -9.207 3.496 1.00 0.00 C ATOM 1258 O GLN A 79 109.831 -8.145 3.878 1.00 0.00 O ATOM 1259 CB GLN A 79 108.708 -11.602 3.921 1.00 0.00 C ATOM 1260 CG GLN A 79 108.937 -12.686 4.957 1.00 0.00 C ATOM 1261 CD GLN A 79 110.410 -12.975 5.176 1.00 0.00 C ATOM 1262 OE1 GLN A 79 110.787 -14.086 5.550 1.00 0.00 O ATOM 1263 NE2 GLN A 79 111.251 -11.972 4.945 1.00 0.00 N ATOM 0 H GLN A 79 106.658 -10.144 4.335 1.00 0.00 H new ATOM 0 HA GLN A 79 109.387 -10.198 5.385 1.00 0.00 H new ATOM 0 HB2 GLN A 79 107.742 -11.764 3.443 1.00 0.00 H new ATOM 0 HB3 GLN A 79 109.467 -11.687 3.143 1.00 0.00 H new ATOM 0 HG2 GLN A 79 108.485 -12.384 5.901 1.00 0.00 H new ATOM 0 HG3 GLN A 79 108.433 -13.599 4.640 1.00 0.00 H new ATOM 0 HE21 GLN A 79 110.894 -11.068 4.636 1.00 0.00 H new ATOM 0 HE22 GLN A 79 112.253 -12.106 5.077 1.00 0.00 H new ATOM 1272 N VAL A 80 109.297 -9.556 2.213 1.00 0.00 N ATOM 1273 CA VAL A 80 109.844 -8.685 1.178 1.00 0.00 C ATOM 1274 C VAL A 80 108.966 -7.460 0.946 1.00 0.00 C ATOM 1275 O VAL A 80 109.451 -6.328 0.968 1.00 0.00 O ATOM 1276 CB VAL A 80 110.018 -9.416 -0.171 1.00 0.00 C ATOM 1277 CG1 VAL A 80 111.425 -9.975 -0.300 1.00 0.00 C ATOM 1278 CG2 VAL A 80 108.981 -10.517 -0.337 1.00 0.00 C ATOM 0 H VAL A 80 108.895 -10.427 1.868 1.00 0.00 H new ATOM 0 HA VAL A 80 110.821 -8.374 1.547 1.00 0.00 H new ATOM 0 HB VAL A 80 109.863 -8.690 -0.969 1.00 0.00 H new ATOM 0 HG11 VAL A 80 111.527 -10.486 -1.257 1.00 0.00 H new ATOM 0 HG12 VAL A 80 112.147 -9.160 -0.245 1.00 0.00 H new ATOM 0 HG13 VAL A 80 111.612 -10.680 0.510 1.00 0.00 H new ATOM 0 HG21 VAL A 80 109.128 -11.014 -1.296 1.00 0.00 H new ATOM 0 HG22 VAL A 80 109.089 -11.243 0.469 1.00 0.00 H new ATOM 0 HG23 VAL A 80 107.981 -10.084 -0.303 1.00 0.00 H new ATOM 1288 N GLU A 81 107.676 -7.684 0.714 1.00 0.00 N ATOM 1289 CA GLU A 81 106.758 -6.583 0.456 1.00 0.00 C ATOM 1290 C GLU A 81 106.784 -5.565 1.585 1.00 0.00 C ATOM 1291 O GLU A 81 107.007 -4.377 1.351 1.00 0.00 O ATOM 1292 CB GLU A 81 105.335 -7.111 0.266 1.00 0.00 C ATOM 1293 CG GLU A 81 104.930 -7.263 -1.192 1.00 0.00 C ATOM 1294 CD GLU A 81 103.439 -7.090 -1.403 1.00 0.00 C ATOM 1295 OE1 GLU A 81 102.668 -7.950 -0.927 1.00 0.00 O ATOM 1296 OE2 GLU A 81 103.042 -6.094 -2.044 1.00 0.00 O ATOM 0 H GLU A 81 107.247 -8.609 0.700 1.00 0.00 H new ATOM 0 HA GLU A 81 107.083 -6.087 -0.458 1.00 0.00 H new ATOM 0 HB2 GLU A 81 105.246 -8.078 0.761 1.00 0.00 H new ATOM 0 HB3 GLU A 81 104.637 -6.435 0.759 1.00 0.00 H new ATOM 0 HG2 GLU A 81 105.466 -6.528 -1.793 1.00 0.00 H new ATOM 0 HG3 GLU A 81 105.232 -8.248 -1.549 1.00 0.00 H new ATOM 1303 N LYS A 82 106.590 -6.030 2.814 1.00 0.00 N ATOM 1304 CA LYS A 82 106.616 -5.135 3.961 1.00 0.00 C ATOM 1305 C LYS A 82 107.952 -4.416 4.018 1.00 0.00 C ATOM 1306 O LYS A 82 108.027 -3.249 4.403 1.00 0.00 O ATOM 1307 CB LYS A 82 106.384 -5.911 5.255 1.00 0.00 C ATOM 1308 CG LYS A 82 106.678 -5.105 6.511 1.00 0.00 C ATOM 1309 CD LYS A 82 106.114 -3.696 6.422 1.00 0.00 C ATOM 1310 CE LYS A 82 106.874 -2.735 7.324 1.00 0.00 C ATOM 1311 NZ LYS A 82 106.293 -2.683 8.694 1.00 0.00 N ATOM 0 H LYS A 82 106.415 -7.009 3.039 1.00 0.00 H new ATOM 0 HA LYS A 82 105.816 -4.403 3.852 1.00 0.00 H new ATOM 0 HB2 LYS A 82 105.348 -6.249 5.285 1.00 0.00 H new ATOM 0 HB3 LYS A 82 107.011 -6.803 5.251 1.00 0.00 H new ATOM 0 HG2 LYS A 82 106.253 -5.613 7.377 1.00 0.00 H new ATOM 0 HG3 LYS A 82 107.756 -5.056 6.668 1.00 0.00 H new ATOM 0 HD2 LYS A 82 106.165 -3.347 5.391 1.00 0.00 H new ATOM 0 HD3 LYS A 82 105.061 -3.706 6.703 1.00 0.00 H new ATOM 0 HE2 LYS A 82 107.918 -3.042 7.384 1.00 0.00 H new ATOM 0 HE3 LYS A 82 106.860 -1.737 6.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 106.879 -2.070 9.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 105.327 -2.301 8.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 106.267 -3.641 9.097 1.00 0.00 H new ATOM 1325 N ALA A 83 109.000 -5.116 3.610 1.00 0.00 N ATOM 1326 CA ALA A 83 110.329 -4.540 3.590 1.00 0.00 C ATOM 1327 C ALA A 83 110.435 -3.501 2.483 1.00 0.00 C ATOM 1328 O ALA A 83 110.992 -2.420 2.676 1.00 0.00 O ATOM 1329 CB ALA A 83 111.378 -5.629 3.405 1.00 0.00 C ATOM 0 H ALA A 83 108.952 -6.083 3.289 1.00 0.00 H new ATOM 0 HA ALA A 83 110.511 -4.048 4.546 1.00 0.00 H new ATOM 0 HB1 ALA A 83 112.371 -5.179 3.392 1.00 0.00 H new ATOM 0 HB2 ALA A 83 111.313 -6.341 4.228 1.00 0.00 H new ATOM 0 HB3 ALA A 83 111.202 -6.147 2.462 1.00 0.00 H new ATOM 1335 N VAL A 84 109.882 -3.838 1.320 1.00 0.00 N ATOM 1336 CA VAL A 84 109.915 -2.946 0.172 1.00 0.00 C ATOM 1337 C VAL A 84 109.263 -1.616 0.493 1.00 0.00 C ATOM 1338 O VAL A 84 109.802 -0.554 0.179 1.00 0.00 O ATOM 1339 CB VAL A 84 109.212 -3.575 -1.044 1.00 0.00 C ATOM 1340 CG1 VAL A 84 108.031 -2.721 -1.483 1.00 0.00 C ATOM 1341 CG2 VAL A 84 110.201 -3.769 -2.184 1.00 0.00 C ATOM 0 H VAL A 84 109.406 -4.724 1.151 1.00 0.00 H new ATOM 0 HA VAL A 84 110.964 -2.779 -0.072 1.00 0.00 H new ATOM 0 HB VAL A 84 108.828 -4.554 -0.756 1.00 0.00 H new ATOM 0 HG11 VAL A 84 107.548 -3.183 -2.344 1.00 0.00 H new ATOM 0 HG12 VAL A 84 107.315 -2.641 -0.665 1.00 0.00 H new ATOM 0 HG13 VAL A 84 108.383 -1.726 -1.755 1.00 0.00 H new ATOM 0 HG21 VAL A 84 109.690 -4.215 -3.037 1.00 0.00 H new ATOM 0 HG22 VAL A 84 110.616 -2.804 -2.474 1.00 0.00 H new ATOM 0 HG23 VAL A 84 111.006 -4.428 -1.859 1.00 0.00 H new ATOM 1351 N LEU A 85 108.105 -1.675 1.125 1.00 0.00 N ATOM 1352 CA LEU A 85 107.387 -0.471 1.495 1.00 0.00 C ATOM 1353 C LEU A 85 108.153 0.302 2.561 1.00 0.00 C ATOM 1354 O LEU A 85 108.117 1.532 2.592 1.00 0.00 O ATOM 1355 CB LEU A 85 105.990 -0.821 2.012 1.00 0.00 C ATOM 1356 CG LEU A 85 104.911 -0.967 0.936 1.00 0.00 C ATOM 1357 CD1 LEU A 85 103.693 -1.678 1.502 1.00 0.00 C ATOM 1358 CD2 LEU A 85 104.527 0.396 0.381 1.00 0.00 C ATOM 0 H LEU A 85 107.642 -2.544 1.392 1.00 0.00 H new ATOM 0 HA LEU A 85 107.291 0.155 0.608 1.00 0.00 H new ATOM 0 HB2 LEU A 85 106.051 -1.755 2.571 1.00 0.00 H new ATOM 0 HB3 LEU A 85 105.677 -0.049 2.715 1.00 0.00 H new ATOM 0 HG LEU A 85 105.312 -1.568 0.120 1.00 0.00 H new ATOM 0 HD11 LEU A 85 102.934 -1.774 0.725 1.00 0.00 H new ATOM 0 HD12 LEU A 85 103.981 -2.669 1.853 1.00 0.00 H new ATOM 0 HD13 LEU A 85 103.289 -1.101 2.334 1.00 0.00 H new ATOM 0 HD21 LEU A 85 103.759 0.275 -0.383 1.00 0.00 H new ATOM 0 HD22 LEU A 85 104.142 1.022 1.186 1.00 0.00 H new ATOM 0 HD23 LEU A 85 105.404 0.870 -0.059 1.00 0.00 H new ATOM 1370 N ARG A 86 108.856 -0.421 3.432 1.00 0.00 N ATOM 1371 CA ARG A 86 109.614 0.220 4.498 1.00 0.00 C ATOM 1372 C ARG A 86 110.632 1.185 3.920 1.00 0.00 C ATOM 1373 O ARG A 86 110.718 2.339 4.343 1.00 0.00 O ATOM 1374 CB ARG A 86 110.317 -0.831 5.359 1.00 0.00 C ATOM 1375 CG ARG A 86 109.841 -0.853 6.803 1.00 0.00 C ATOM 1376 CD ARG A 86 110.909 -0.330 7.750 1.00 0.00 C ATOM 1377 NE ARG A 86 111.341 -1.348 8.703 1.00 0.00 N ATOM 1378 CZ ARG A 86 110.553 -1.855 9.646 1.00 0.00 C ATOM 1379 NH1 ARG A 86 109.299 -1.438 9.759 1.00 0.00 N ATOM 1380 NH2 ARG A 86 111.018 -2.779 10.475 1.00 0.00 N ATOM 0 H ARG A 86 108.915 -1.439 3.419 1.00 0.00 H new ATOM 0 HA ARG A 86 108.919 0.779 5.124 1.00 0.00 H new ATOM 0 HB2 ARG A 86 110.158 -1.815 4.918 1.00 0.00 H new ATOM 0 HB3 ARG A 86 111.391 -0.643 5.342 1.00 0.00 H new ATOM 0 HG2 ARG A 86 108.940 -0.247 6.899 1.00 0.00 H new ATOM 0 HG3 ARG A 86 109.572 -1.872 7.083 1.00 0.00 H new ATOM 0 HD2 ARG A 86 111.768 0.014 7.173 1.00 0.00 H new ATOM 0 HD3 ARG A 86 110.522 0.533 8.292 1.00 0.00 H new ATOM 0 HE ARG A 86 112.300 -1.689 8.642 1.00 0.00 H new ATOM 0 HH11 ARG A 86 108.938 -0.728 9.122 1.00 0.00 H new ATOM 0 HH12 ARG A 86 108.695 -1.828 10.483 1.00 0.00 H new ATOM 0 HH21 ARG A 86 111.982 -3.102 10.390 1.00 0.00 H new ATOM 0 HH22 ARG A 86 110.412 -3.167 11.198 1.00 0.00 H new ATOM 1394 N ILE A 87 111.382 0.723 2.934 1.00 0.00 N ATOM 1395 CA ILE A 87 112.371 1.565 2.292 1.00 0.00 C ATOM 1396 C ILE A 87 111.689 2.729 1.588 1.00 0.00 C ATOM 1397 O ILE A 87 112.211 3.844 1.558 1.00 0.00 O ATOM 1398 CB ILE A 87 113.215 0.777 1.270 1.00 0.00 C ATOM 1399 CG1 ILE A 87 112.313 0.122 0.221 1.00 0.00 C ATOM 1400 CG2 ILE A 87 114.058 -0.273 1.979 1.00 0.00 C ATOM 1401 CD1 ILE A 87 112.998 -0.095 -1.113 1.00 0.00 C ATOM 0 H ILE A 87 111.324 -0.226 2.564 1.00 0.00 H new ATOM 0 HA ILE A 87 113.037 1.938 3.070 1.00 0.00 H new ATOM 0 HB ILE A 87 113.883 1.473 0.762 1.00 0.00 H new ATOM 0 HG12 ILE A 87 111.964 -0.838 0.602 1.00 0.00 H new ATOM 0 HG13 ILE A 87 111.431 0.745 0.071 1.00 0.00 H new ATOM 0 HG21 ILE A 87 114.649 -0.822 1.245 1.00 0.00 H new ATOM 0 HG22 ILE A 87 114.725 0.215 2.690 1.00 0.00 H new ATOM 0 HG23 ILE A 87 113.405 -0.966 2.510 1.00 0.00 H new ATOM 0 HD11 ILE A 87 112.301 -0.563 -1.808 1.00 0.00 H new ATOM 0 HD12 ILE A 87 113.323 0.864 -1.515 1.00 0.00 H new ATOM 0 HD13 ILE A 87 113.864 -0.743 -0.976 1.00 0.00 H new ATOM 1413 N ALA A 88 110.504 2.465 1.039 1.00 0.00 N ATOM 1414 CA ALA A 88 109.747 3.492 0.342 1.00 0.00 C ATOM 1415 C ALA A 88 109.434 4.645 1.276 1.00 0.00 C ATOM 1416 O ALA A 88 109.416 5.805 0.868 1.00 0.00 O ATOM 1417 CB ALA A 88 108.465 2.908 -0.232 1.00 0.00 C ATOM 0 H ALA A 88 110.053 1.551 1.066 1.00 0.00 H new ATOM 0 HA ALA A 88 110.353 3.870 -0.481 1.00 0.00 H new ATOM 0 HB1 ALA A 88 107.910 3.689 -0.751 1.00 0.00 H new ATOM 0 HB2 ALA A 88 108.711 2.111 -0.934 1.00 0.00 H new ATOM 0 HB3 ALA A 88 107.855 2.505 0.576 1.00 0.00 H new ATOM 1423 N LEU A 89 109.207 4.317 2.540 1.00 0.00 N ATOM 1424 CA LEU A 89 108.901 5.324 3.537 1.00 0.00 C ATOM 1425 C LEU A 89 110.056 6.305 3.659 1.00 0.00 C ATOM 1426 O LEU A 89 109.855 7.521 3.682 1.00 0.00 O ATOM 1427 CB LEU A 89 108.630 4.652 4.886 1.00 0.00 C ATOM 1428 CG LEU A 89 107.625 3.499 4.841 1.00 0.00 C ATOM 1429 CD1 LEU A 89 107.206 3.102 6.248 1.00 0.00 C ATOM 1430 CD2 LEU A 89 106.410 3.879 4.007 1.00 0.00 C ATOM 0 H LEU A 89 109.230 3.361 2.896 1.00 0.00 H new ATOM 0 HA LEU A 89 108.010 5.872 3.230 1.00 0.00 H new ATOM 0 HB2 LEU A 89 109.573 4.278 5.285 1.00 0.00 H new ATOM 0 HB3 LEU A 89 108.265 5.406 5.584 1.00 0.00 H new ATOM 0 HG LEU A 89 108.107 2.642 4.371 1.00 0.00 H new ATOM 0 HD11 LEU A 89 106.491 2.281 6.197 1.00 0.00 H new ATOM 0 HD12 LEU A 89 108.083 2.785 6.813 1.00 0.00 H new ATOM 0 HD13 LEU A 89 106.743 3.955 6.744 1.00 0.00 H new ATOM 0 HD21 LEU A 89 105.707 3.046 3.987 1.00 0.00 H new ATOM 0 HD22 LEU A 89 105.926 4.752 4.446 1.00 0.00 H new ATOM 0 HD23 LEU A 89 106.725 4.112 2.990 1.00 0.00 H new ATOM 1442 N TYR A 90 111.270 5.777 3.706 1.00 0.00 N ATOM 1443 CA TYR A 90 112.447 6.620 3.806 1.00 0.00 C ATOM 1444 C TYR A 90 112.662 7.378 2.508 1.00 0.00 C ATOM 1445 O TYR A 90 113.232 8.469 2.493 1.00 0.00 O ATOM 1446 CB TYR A 90 113.686 5.795 4.150 1.00 0.00 C ATOM 1447 CG TYR A 90 114.492 6.359 5.303 1.00 0.00 C ATOM 1448 CD1 TYR A 90 114.282 7.656 5.769 1.00 0.00 C ATOM 1449 CD2 TYR A 90 115.467 5.588 5.927 1.00 0.00 C ATOM 1450 CE1 TYR A 90 115.022 8.160 6.822 1.00 0.00 C ATOM 1451 CE2 TYR A 90 116.208 6.089 6.982 1.00 0.00 C ATOM 1452 CZ TYR A 90 115.982 7.374 7.424 1.00 0.00 C ATOM 1453 OH TYR A 90 116.719 7.876 8.472 1.00 0.00 O ATOM 0 H TYR A 90 111.463 4.776 3.677 1.00 0.00 H new ATOM 0 HA TYR A 90 112.284 7.336 4.611 1.00 0.00 H new ATOM 0 HB2 TYR A 90 113.378 4.779 4.396 1.00 0.00 H new ATOM 0 HB3 TYR A 90 114.325 5.730 3.269 1.00 0.00 H new ATOM 0 HD1 TYR A 90 113.531 8.275 5.301 1.00 0.00 H new ATOM 0 HD2 TYR A 90 115.649 4.581 5.582 1.00 0.00 H new ATOM 0 HE1 TYR A 90 114.849 9.167 7.172 1.00 0.00 H new ATOM 0 HE2 TYR A 90 116.960 5.476 7.457 1.00 0.00 H new ATOM 0 HH TYR A 90 117.351 7.195 8.783 1.00 0.00 H new ATOM 1463 N GLU A 91 112.198 6.784 1.417 1.00 0.00 N ATOM 1464 CA GLU A 91 112.333 7.389 0.102 1.00 0.00 C ATOM 1465 C GLU A 91 111.791 8.811 0.108 1.00 0.00 C ATOM 1466 O GLU A 91 112.315 9.687 -0.580 1.00 0.00 O ATOM 1467 CB GLU A 91 111.594 6.553 -0.946 1.00 0.00 C ATOM 1468 CG GLU A 91 112.348 6.418 -2.258 1.00 0.00 C ATOM 1469 CD GLU A 91 111.725 7.231 -3.376 1.00 0.00 C ATOM 1470 OE1 GLU A 91 110.582 7.703 -3.201 1.00 0.00 O ATOM 1471 OE2 GLU A 91 112.380 7.397 -4.426 1.00 0.00 O ATOM 0 H GLU A 91 111.724 5.881 1.418 1.00 0.00 H new ATOM 0 HA GLU A 91 113.392 7.421 -0.153 1.00 0.00 H new ATOM 0 HB2 GLU A 91 111.407 5.559 -0.540 1.00 0.00 H new ATOM 0 HB3 GLU A 91 110.622 7.006 -1.140 1.00 0.00 H new ATOM 0 HG2 GLU A 91 113.380 6.737 -2.114 1.00 0.00 H new ATOM 0 HG3 GLU A 91 112.377 5.368 -2.550 1.00 0.00 H new ATOM 1478 N LEU A 92 110.741 9.038 0.891 1.00 0.00 N ATOM 1479 CA LEU A 92 110.137 10.360 0.981 1.00 0.00 C ATOM 1480 C LEU A 92 111.064 11.335 1.699 1.00 0.00 C ATOM 1481 O LEU A 92 111.200 12.490 1.297 1.00 0.00 O ATOM 1482 CB LEU A 92 108.796 10.277 1.707 1.00 0.00 C ATOM 1483 CG LEU A 92 107.919 9.094 1.297 1.00 0.00 C ATOM 1484 CD1 LEU A 92 107.205 8.513 2.507 1.00 0.00 C ATOM 1485 CD2 LEU A 92 106.920 9.520 0.233 1.00 0.00 C ATOM 0 H LEU A 92 110.294 8.327 1.469 1.00 0.00 H new ATOM 0 HA LEU A 92 109.972 10.729 -0.031 1.00 0.00 H new ATOM 0 HB2 LEU A 92 108.982 10.219 2.779 1.00 0.00 H new ATOM 0 HB3 LEU A 92 108.244 11.200 1.529 1.00 0.00 H new ATOM 0 HG LEU A 92 108.558 8.318 0.876 1.00 0.00 H new ATOM 0 HD11 LEU A 92 106.586 7.672 2.195 1.00 0.00 H new ATOM 0 HD12 LEU A 92 107.941 8.171 3.234 1.00 0.00 H new ATOM 0 HD13 LEU A 92 106.575 9.279 2.960 1.00 0.00 H new ATOM 0 HD21 LEU A 92 106.303 8.667 -0.049 1.00 0.00 H new ATOM 0 HD22 LEU A 92 106.285 10.313 0.627 1.00 0.00 H new ATOM 0 HD23 LEU A 92 107.455 9.886 -0.643 1.00 0.00 H new ATOM 1497 N SER A 93 111.696 10.863 2.766 1.00 0.00 N ATOM 1498 CA SER A 93 112.607 11.694 3.544 1.00 0.00 C ATOM 1499 C SER A 93 113.941 11.872 2.825 1.00 0.00 C ATOM 1500 O SER A 93 114.656 12.846 3.060 1.00 0.00 O ATOM 1501 CB SER A 93 112.833 11.082 4.926 1.00 0.00 C ATOM 1502 OG SER A 93 114.212 10.883 5.176 1.00 0.00 O ATOM 0 H SER A 93 111.595 9.909 3.113 1.00 0.00 H new ATOM 0 HA SER A 93 112.150 12.677 3.660 1.00 0.00 H new ATOM 0 HB2 SER A 93 112.412 11.736 5.690 1.00 0.00 H new ATOM 0 HB3 SER A 93 112.306 10.130 4.996 1.00 0.00 H new ATOM 0 HG SER A 93 114.340 10.031 5.643 1.00 0.00 H new ATOM 1508 N LYS A 94 114.275 10.924 1.955 1.00 0.00 N ATOM 1509 CA LYS A 94 115.529 10.979 1.214 1.00 0.00 C ATOM 1510 C LYS A 94 115.287 11.148 -0.284 1.00 0.00 C ATOM 1511 O LYS A 94 116.191 10.938 -1.093 1.00 0.00 O ATOM 1512 CB LYS A 94 116.350 9.714 1.468 1.00 0.00 C ATOM 1513 CG LYS A 94 116.582 9.425 2.942 1.00 0.00 C ATOM 1514 CD LYS A 94 116.894 10.695 3.717 1.00 0.00 C ATOM 1515 CE LYS A 94 116.747 10.485 5.215 1.00 0.00 C ATOM 1516 NZ LYS A 94 118.067 10.346 5.890 1.00 0.00 N ATOM 0 H LYS A 94 113.696 10.111 1.747 1.00 0.00 H new ATOM 0 HA LYS A 94 116.084 11.848 1.567 1.00 0.00 H new ATOM 0 HB2 LYS A 94 115.841 8.863 1.015 1.00 0.00 H new ATOM 0 HB3 LYS A 94 117.314 9.810 0.969 1.00 0.00 H new ATOM 0 HG2 LYS A 94 115.697 8.948 3.364 1.00 0.00 H new ATOM 0 HG3 LYS A 94 117.406 8.720 3.050 1.00 0.00 H new ATOM 0 HD2 LYS A 94 117.910 11.019 3.492 1.00 0.00 H new ATOM 0 HD3 LYS A 94 116.226 11.493 3.393 1.00 0.00 H new ATOM 0 HE2 LYS A 94 116.205 11.326 5.648 1.00 0.00 H new ATOM 0 HE3 LYS A 94 116.150 9.592 5.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 117.922 10.204 6.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 118.574 9.528 5.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 118.628 11.208 5.736 1.00 0.00 H new ATOM 1530 N ARG A 95 114.069 11.532 -0.650 1.00 0.00 N ATOM 1531 CA ARG A 95 113.726 11.730 -2.056 1.00 0.00 C ATOM 1532 C ARG A 95 114.561 12.855 -2.660 1.00 0.00 C ATOM 1533 O ARG A 95 115.479 13.369 -2.022 1.00 0.00 O ATOM 1534 CB ARG A 95 112.236 12.042 -2.209 1.00 0.00 C ATOM 1535 CG ARG A 95 111.718 13.064 -1.212 1.00 0.00 C ATOM 1536 CD ARG A 95 111.384 14.384 -1.888 1.00 0.00 C ATOM 1537 NE ARG A 95 110.348 15.119 -1.167 1.00 0.00 N ATOM 1538 CZ ARG A 95 110.601 15.975 -0.182 1.00 0.00 C ATOM 1539 NH1 ARG A 95 111.850 16.202 0.200 1.00 0.00 N ATOM 1540 NH2 ARG A 95 109.604 16.605 0.423 1.00 0.00 N ATOM 0 H ARG A 95 113.306 11.712 0.002 1.00 0.00 H new ATOM 0 HA ARG A 95 113.946 10.806 -2.591 1.00 0.00 H new ATOM 0 HB2 ARG A 95 112.053 12.409 -3.219 1.00 0.00 H new ATOM 0 HB3 ARG A 95 111.668 11.119 -2.097 1.00 0.00 H new ATOM 0 HG2 ARG A 95 110.829 12.673 -0.717 1.00 0.00 H new ATOM 0 HG3 ARG A 95 112.467 13.230 -0.438 1.00 0.00 H new ATOM 0 HD2 ARG A 95 112.284 14.996 -1.954 1.00 0.00 H new ATOM 0 HD3 ARG A 95 111.051 14.195 -2.909 1.00 0.00 H new ATOM 0 HE ARG A 95 109.376 14.967 -1.434 1.00 0.00 H new ATOM 0 HH11 ARG A 95 112.620 15.719 -0.262 1.00 0.00 H new ATOM 0 HH12 ARG A 95 112.041 16.860 0.956 1.00 0.00 H new ATOM 0 HH21 ARG A 95 108.641 16.433 0.133 1.00 0.00 H new ATOM 0 HH22 ARG A 95 109.799 17.262 1.179 1.00 0.00 H new ATOM 1554 N SER A 96 114.238 13.233 -3.893 1.00 0.00 N ATOM 1555 CA SER A 96 114.964 14.296 -4.578 1.00 0.00 C ATOM 1556 C SER A 96 114.031 15.114 -5.466 1.00 0.00 C ATOM 1557 O SER A 96 113.360 14.573 -6.344 1.00 0.00 O ATOM 1558 CB SER A 96 116.100 13.709 -5.417 1.00 0.00 C ATOM 1559 OG SER A 96 115.935 14.022 -6.790 1.00 0.00 O ATOM 0 H SER A 96 113.480 12.820 -4.437 1.00 0.00 H new ATOM 0 HA SER A 96 115.384 14.957 -3.820 1.00 0.00 H new ATOM 0 HB2 SER A 96 117.055 14.098 -5.064 1.00 0.00 H new ATOM 0 HB3 SER A 96 116.130 12.627 -5.288 1.00 0.00 H new ATOM 0 HG SER A 96 116.675 13.637 -7.305 1.00 0.00 H new ATOM 1565 N ASP A 97 113.999 16.422 -5.232 1.00 0.00 N ATOM 1566 CA ASP A 97 113.153 17.321 -6.010 1.00 0.00 C ATOM 1567 C ASP A 97 111.840 16.645 -6.390 1.00 0.00 C ATOM 1568 O ASP A 97 111.338 16.822 -7.501 1.00 0.00 O ATOM 1569 CB ASP A 97 113.888 17.780 -7.271 1.00 0.00 C ATOM 1570 CG ASP A 97 115.301 18.246 -6.978 1.00 0.00 C ATOM 1571 OD1 ASP A 97 115.882 17.786 -5.973 1.00 0.00 O ATOM 1572 OD2 ASP A 97 115.827 19.070 -7.756 1.00 0.00 O ATOM 0 H ASP A 97 114.550 16.884 -4.509 1.00 0.00 H new ATOM 0 HA ASP A 97 112.925 18.190 -5.392 1.00 0.00 H new ATOM 0 HB2 ASP A 97 113.920 16.960 -7.989 1.00 0.00 H new ATOM 0 HB3 ASP A 97 113.330 18.591 -7.739 1.00 0.00 H new ATOM 1577 N VAL A 98 111.288 15.871 -5.463 1.00 0.00 N ATOM 1578 CA VAL A 98 110.033 15.169 -5.702 1.00 0.00 C ATOM 1579 C VAL A 98 109.047 15.406 -4.564 1.00 0.00 C ATOM 1580 O VAL A 98 109.428 15.446 -3.394 1.00 0.00 O ATOM 1581 CB VAL A 98 110.259 13.654 -5.862 1.00 0.00 C ATOM 1582 CG1 VAL A 98 109.362 12.876 -4.911 1.00 0.00 C ATOM 1583 CG2 VAL A 98 110.019 13.227 -7.302 1.00 0.00 C ATOM 0 H VAL A 98 111.690 15.714 -4.539 1.00 0.00 H new ATOM 0 HA VAL A 98 109.619 15.567 -6.628 1.00 0.00 H new ATOM 0 HB VAL A 98 111.296 13.432 -5.610 1.00 0.00 H new ATOM 0 HG11 VAL A 98 109.536 11.808 -5.039 1.00 0.00 H new ATOM 0 HG12 VAL A 98 109.588 13.160 -3.883 1.00 0.00 H new ATOM 0 HG13 VAL A 98 108.318 13.102 -5.129 1.00 0.00 H new ATOM 0 HG21 VAL A 98 110.184 12.154 -7.395 1.00 0.00 H new ATOM 0 HG22 VAL A 98 108.993 13.463 -7.585 1.00 0.00 H new ATOM 0 HG23 VAL A 98 110.708 13.758 -7.959 1.00 0.00 H new ATOM 1593 N PRO A 99 107.757 15.562 -4.897 1.00 0.00 N ATOM 1594 CA PRO A 99 106.704 15.792 -3.902 1.00 0.00 C ATOM 1595 C PRO A 99 106.547 14.609 -2.953 1.00 0.00 C ATOM 1596 O PRO A 99 107.124 14.594 -1.865 1.00 0.00 O ATOM 1597 CB PRO A 99 105.437 15.974 -4.747 1.00 0.00 C ATOM 1598 CG PRO A 99 105.750 15.332 -6.056 1.00 0.00 C ATOM 1599 CD PRO A 99 107.224 15.522 -6.268 1.00 0.00 C ATOM 0 HA PRO A 99 106.926 16.648 -3.264 1.00 0.00 H new ATOM 0 HB2 PRO A 99 104.576 15.504 -4.273 1.00 0.00 H new ATOM 0 HB3 PRO A 99 105.195 17.029 -4.873 1.00 0.00 H new ATOM 0 HG2 PRO A 99 105.491 14.273 -6.043 1.00 0.00 H new ATOM 0 HG3 PRO A 99 105.178 15.791 -6.862 1.00 0.00 H new ATOM 0 HD2 PRO A 99 107.657 14.705 -6.845 1.00 0.00 H new ATOM 0 HD3 PRO A 99 107.438 16.443 -6.810 1.00 0.00 H new ATOM 1607 N TYR A 100 105.769 13.619 -3.374 1.00 0.00 N ATOM 1608 CA TYR A 100 105.543 12.429 -2.565 1.00 0.00 C ATOM 1609 C TYR A 100 104.691 11.413 -3.319 1.00 0.00 C ATOM 1610 O TYR A 100 104.957 10.211 -3.277 1.00 0.00 O ATOM 1611 CB TYR A 100 104.880 12.802 -1.232 1.00 0.00 C ATOM 1612 CG TYR A 100 103.372 12.943 -1.301 1.00 0.00 C ATOM 1613 CD1 TYR A 100 102.562 11.851 -1.580 1.00 0.00 C ATOM 1614 CD2 TYR A 100 102.759 14.171 -1.076 1.00 0.00 C ATOM 1615 CE1 TYR A 100 101.190 11.974 -1.637 1.00 0.00 C ATOM 1616 CE2 TYR A 100 101.384 14.302 -1.130 1.00 0.00 C ATOM 1617 CZ TYR A 100 100.604 13.201 -1.411 1.00 0.00 C ATOM 1618 OH TYR A 100 99.235 13.327 -1.466 1.00 0.00 O ATOM 0 H TYR A 100 105.284 13.617 -4.271 1.00 0.00 H new ATOM 0 HA TYR A 100 106.510 11.973 -2.355 1.00 0.00 H new ATOM 0 HB2 TYR A 100 105.128 12.042 -0.491 1.00 0.00 H new ATOM 0 HB3 TYR A 100 105.305 13.742 -0.879 1.00 0.00 H new ATOM 0 HD1 TYR A 100 103.015 10.887 -1.756 1.00 0.00 H new ATOM 0 HD2 TYR A 100 103.367 15.036 -0.856 1.00 0.00 H new ATOM 0 HE1 TYR A 100 100.577 11.113 -1.858 1.00 0.00 H new ATOM 0 HE2 TYR A 100 100.923 15.263 -0.953 1.00 0.00 H new ATOM 0 HH TYR A 100 98.989 14.270 -1.361 1.00 0.00 H new ATOM 1628 N LYS A 101 103.666 11.905 -4.008 1.00 0.00 N ATOM 1629 CA LYS A 101 102.772 11.041 -4.770 1.00 0.00 C ATOM 1630 C LYS A 101 103.544 10.239 -5.812 1.00 0.00 C ATOM 1631 O LYS A 101 103.146 9.135 -6.181 1.00 0.00 O ATOM 1632 CB LYS A 101 101.685 11.873 -5.454 1.00 0.00 C ATOM 1633 CG LYS A 101 100.344 11.825 -4.742 1.00 0.00 C ATOM 1634 CD LYS A 101 99.194 11.702 -5.729 1.00 0.00 C ATOM 1635 CE LYS A 101 98.133 10.735 -5.231 1.00 0.00 C ATOM 1636 NZ LYS A 101 96.824 10.947 -5.909 1.00 0.00 N ATOM 0 H LYS A 101 103.434 12.897 -4.054 1.00 0.00 H new ATOM 0 HA LYS A 101 102.304 10.343 -4.075 1.00 0.00 H new ATOM 0 HB2 LYS A 101 102.017 12.909 -5.516 1.00 0.00 H new ATOM 0 HB3 LYS A 101 101.557 11.518 -6.477 1.00 0.00 H new ATOM 0 HG2 LYS A 101 100.326 10.980 -4.054 1.00 0.00 H new ATOM 0 HG3 LYS A 101 100.216 12.727 -4.143 1.00 0.00 H new ATOM 0 HD2 LYS A 101 98.746 12.682 -5.892 1.00 0.00 H new ATOM 0 HD3 LYS A 101 99.575 11.362 -6.692 1.00 0.00 H new ATOM 0 HE2 LYS A 101 98.467 9.711 -5.400 1.00 0.00 H new ATOM 0 HE3 LYS A 101 98.008 10.856 -4.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 96.128 10.267 -5.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 96.492 11.916 -5.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 96.937 10.806 -6.933 1.00 0.00 H new ATOM 1650 N VAL A 102 104.650 10.799 -6.285 1.00 0.00 N ATOM 1651 CA VAL A 102 105.473 10.130 -7.282 1.00 0.00 C ATOM 1652 C VAL A 102 105.998 8.800 -6.755 1.00 0.00 C ATOM 1653 O VAL A 102 105.993 7.793 -7.463 1.00 0.00 O ATOM 1654 CB VAL A 102 106.666 11.007 -7.705 1.00 0.00 C ATOM 1655 CG1 VAL A 102 107.449 11.468 -6.485 1.00 0.00 C ATOM 1656 CG2 VAL A 102 107.565 10.257 -8.675 1.00 0.00 C ATOM 0 H VAL A 102 104.997 11.713 -5.994 1.00 0.00 H new ATOM 0 HA VAL A 102 104.838 9.951 -8.149 1.00 0.00 H new ATOM 0 HB VAL A 102 106.281 11.890 -8.215 1.00 0.00 H new ATOM 0 HG11 VAL A 102 108.288 12.086 -6.804 1.00 0.00 H new ATOM 0 HG12 VAL A 102 106.797 12.049 -5.833 1.00 0.00 H new ATOM 0 HG13 VAL A 102 107.824 10.599 -5.943 1.00 0.00 H new ATOM 0 HG21 VAL A 102 108.402 10.894 -8.962 1.00 0.00 H new ATOM 0 HG22 VAL A 102 107.944 9.354 -8.196 1.00 0.00 H new ATOM 0 HG23 VAL A 102 106.995 9.985 -9.563 1.00 0.00 H new ATOM 1666 N ALA A 103 106.452 8.805 -5.506 1.00 0.00 N ATOM 1667 CA ALA A 103 106.986 7.600 -4.881 1.00 0.00 C ATOM 1668 C ALA A 103 105.919 6.519 -4.755 1.00 0.00 C ATOM 1669 O ALA A 103 106.231 5.329 -4.711 1.00 0.00 O ATOM 1670 CB ALA A 103 107.569 7.933 -3.515 1.00 0.00 C ATOM 0 H ALA A 103 106.461 9.630 -4.906 1.00 0.00 H new ATOM 0 HA ALA A 103 107.778 7.211 -5.521 1.00 0.00 H new ATOM 0 HB1 ALA A 103 107.965 7.026 -3.057 1.00 0.00 H new ATOM 0 HB2 ALA A 103 108.372 8.662 -3.630 1.00 0.00 H new ATOM 0 HB3 ALA A 103 106.789 8.350 -2.878 1.00 0.00 H new ATOM 1676 N ILE A 104 104.658 6.936 -4.698 1.00 0.00 N ATOM 1677 CA ILE A 104 103.546 5.999 -4.573 1.00 0.00 C ATOM 1678 C ILE A 104 103.498 5.035 -5.750 1.00 0.00 C ATOM 1679 O ILE A 104 103.128 3.870 -5.601 1.00 0.00 O ATOM 1680 CB ILE A 104 102.197 6.735 -4.491 1.00 0.00 C ATOM 1681 CG1 ILE A 104 101.964 7.275 -3.081 1.00 0.00 C ATOM 1682 CG2 ILE A 104 101.068 5.806 -4.905 1.00 0.00 C ATOM 1683 CD1 ILE A 104 103.187 7.934 -2.482 1.00 0.00 C ATOM 0 H ILE A 104 104.380 7.917 -4.736 1.00 0.00 H new ATOM 0 HA ILE A 104 103.713 5.442 -3.651 1.00 0.00 H new ATOM 0 HB ILE A 104 102.219 7.581 -5.178 1.00 0.00 H new ATOM 0 HG12 ILE A 104 101.147 7.996 -3.106 1.00 0.00 H new ATOM 0 HG13 ILE A 104 101.647 6.457 -2.434 1.00 0.00 H new ATOM 0 HG21 ILE A 104 100.118 6.337 -4.843 1.00 0.00 H new ATOM 0 HG22 ILE A 104 101.230 5.470 -5.929 1.00 0.00 H new ATOM 0 HG23 ILE A 104 101.045 4.943 -4.240 1.00 0.00 H new ATOM 0 HD11 ILE A 104 102.952 8.295 -1.481 1.00 0.00 H new ATOM 0 HD12 ILE A 104 104.000 7.210 -2.425 1.00 0.00 H new ATOM 0 HD13 ILE A 104 103.492 8.773 -3.108 1.00 0.00 H new ATOM 1695 N ASN A 105 103.867 5.533 -6.921 1.00 0.00 N ATOM 1696 CA ASN A 105 103.858 4.724 -8.136 1.00 0.00 C ATOM 1697 C ASN A 105 104.739 3.488 -7.987 1.00 0.00 C ATOM 1698 O ASN A 105 104.485 2.455 -8.607 1.00 0.00 O ATOM 1699 CB ASN A 105 104.327 5.556 -9.330 1.00 0.00 C ATOM 1700 CG ASN A 105 103.925 4.943 -10.657 1.00 0.00 C ATOM 1701 OD1 ASN A 105 103.318 3.873 -10.701 1.00 0.00 O ATOM 1702 ND2 ASN A 105 104.264 5.619 -11.749 1.00 0.00 N ATOM 0 H ASN A 105 104.177 6.495 -7.058 1.00 0.00 H new ATOM 0 HA ASN A 105 102.834 4.393 -8.308 1.00 0.00 H new ATOM 0 HB2 ASN A 105 103.909 6.560 -9.256 1.00 0.00 H new ATOM 0 HB3 ASN A 105 105.412 5.658 -9.294 1.00 0.00 H new ATOM 0 HD21 ASN A 105 104.021 5.255 -12.670 1.00 0.00 H new ATOM 0 HD22 ASN A 105 104.767 6.502 -11.666 1.00 0.00 H new ATOM 1709 N GLU A 106 105.780 3.600 -7.170 1.00 0.00 N ATOM 1710 CA GLU A 106 106.699 2.489 -6.950 1.00 0.00 C ATOM 1711 C GLU A 106 106.062 1.396 -6.095 1.00 0.00 C ATOM 1712 O GLU A 106 106.303 0.208 -6.314 1.00 0.00 O ATOM 1713 CB GLU A 106 107.981 2.990 -6.281 1.00 0.00 C ATOM 1714 CG GLU A 106 109.049 3.434 -7.268 1.00 0.00 C ATOM 1715 CD GLU A 106 110.408 3.606 -6.618 1.00 0.00 C ATOM 1716 OE1 GLU A 106 110.816 2.710 -5.849 1.00 0.00 O ATOM 1717 OE2 GLU A 106 111.064 4.636 -6.879 1.00 0.00 O ATOM 0 H GLU A 106 106.009 4.447 -6.650 1.00 0.00 H new ATOM 0 HA GLU A 106 106.940 2.060 -7.923 1.00 0.00 H new ATOM 0 HB2 GLU A 106 107.736 3.824 -5.624 1.00 0.00 H new ATOM 0 HB3 GLU A 106 108.386 2.197 -5.652 1.00 0.00 H new ATOM 0 HG2 GLU A 106 109.124 2.700 -8.071 1.00 0.00 H new ATOM 0 HG3 GLU A 106 108.747 4.376 -7.725 1.00 0.00 H new ATOM 1724 N ALA A 107 105.242 1.803 -5.127 1.00 0.00 N ATOM 1725 CA ALA A 107 104.571 0.860 -4.246 1.00 0.00 C ATOM 1726 C ALA A 107 104.180 -0.392 -5.009 1.00 0.00 C ATOM 1727 O ALA A 107 104.799 -1.447 -4.861 1.00 0.00 O ATOM 1728 CB ALA A 107 103.342 1.505 -3.626 1.00 0.00 C ATOM 0 H ALA A 107 105.029 2.782 -4.936 1.00 0.00 H new ATOM 0 HA ALA A 107 105.259 0.578 -3.449 1.00 0.00 H new ATOM 0 HB1 ALA A 107 102.848 0.789 -2.969 1.00 0.00 H new ATOM 0 HB2 ALA A 107 103.642 2.380 -3.050 1.00 0.00 H new ATOM 0 HB3 ALA A 107 102.653 1.808 -4.415 1.00 0.00 H new ATOM 1734 N ILE A 108 103.145 -0.262 -5.825 1.00 0.00 N ATOM 1735 CA ILE A 108 102.652 -1.375 -6.613 1.00 0.00 C ATOM 1736 C ILE A 108 103.787 -2.212 -7.187 1.00 0.00 C ATOM 1737 O ILE A 108 103.782 -3.438 -7.076 1.00 0.00 O ATOM 1738 CB ILE A 108 101.756 -0.899 -7.771 1.00 0.00 C ATOM 1739 CG1 ILE A 108 100.721 0.104 -7.266 1.00 0.00 C ATOM 1740 CG2 ILE A 108 101.073 -2.087 -8.431 1.00 0.00 C ATOM 1741 CD1 ILE A 108 99.679 0.471 -8.301 1.00 0.00 C ATOM 0 H ILE A 108 102.630 0.608 -5.957 1.00 0.00 H new ATOM 0 HA ILE A 108 102.065 -1.989 -5.930 1.00 0.00 H new ATOM 0 HB ILE A 108 102.380 -0.403 -8.514 1.00 0.00 H new ATOM 0 HG12 ILE A 108 100.221 -0.311 -6.391 1.00 0.00 H new ATOM 0 HG13 ILE A 108 101.233 1.010 -6.941 1.00 0.00 H new ATOM 0 HG21 ILE A 108 100.442 -1.736 -9.248 1.00 0.00 H new ATOM 0 HG22 ILE A 108 101.828 -2.769 -8.822 1.00 0.00 H new ATOM 0 HG23 ILE A 108 100.459 -2.608 -7.696 1.00 0.00 H new ATOM 0 HD11 ILE A 108 98.977 1.187 -7.873 1.00 0.00 H new ATOM 0 HD12 ILE A 108 100.168 0.916 -9.168 1.00 0.00 H new ATOM 0 HD13 ILE A 108 99.141 -0.425 -8.609 1.00 0.00 H new ATOM 1753 N GLU A 109 104.750 -1.548 -7.811 1.00 0.00 N ATOM 1754 CA GLU A 109 105.882 -2.240 -8.416 1.00 0.00 C ATOM 1755 C GLU A 109 106.658 -3.041 -7.378 1.00 0.00 C ATOM 1756 O GLU A 109 106.930 -4.227 -7.568 1.00 0.00 O ATOM 1757 CB GLU A 109 106.812 -1.237 -9.100 1.00 0.00 C ATOM 1758 CG GLU A 109 106.158 -0.489 -10.250 1.00 0.00 C ATOM 1759 CD GLU A 109 105.509 -1.420 -11.256 1.00 0.00 C ATOM 1760 OE1 GLU A 109 106.235 -2.238 -11.861 1.00 0.00 O ATOM 1761 OE2 GLU A 109 104.278 -1.331 -11.439 1.00 0.00 O ATOM 0 H GLU A 109 104.771 -0.533 -7.912 1.00 0.00 H new ATOM 0 HA GLU A 109 105.491 -2.934 -9.160 1.00 0.00 H new ATOM 0 HB2 GLU A 109 107.162 -0.516 -8.361 1.00 0.00 H new ATOM 0 HB3 GLU A 109 107.690 -1.764 -9.473 1.00 0.00 H new ATOM 0 HG2 GLU A 109 105.406 0.193 -9.854 1.00 0.00 H new ATOM 0 HG3 GLU A 109 106.907 0.121 -10.755 1.00 0.00 H new ATOM 1768 N LEU A 110 107.013 -2.384 -6.283 1.00 0.00 N ATOM 1769 CA LEU A 110 107.766 -3.027 -5.216 1.00 0.00 C ATOM 1770 C LEU A 110 106.889 -3.993 -4.428 1.00 0.00 C ATOM 1771 O LEU A 110 107.386 -4.790 -3.632 1.00 0.00 O ATOM 1772 CB LEU A 110 108.351 -1.966 -4.283 1.00 0.00 C ATOM 1773 CG LEU A 110 108.846 -0.695 -4.977 1.00 0.00 C ATOM 1774 CD1 LEU A 110 109.977 -0.060 -4.183 1.00 0.00 C ATOM 1775 CD2 LEU A 110 109.298 -1.000 -6.399 1.00 0.00 C ATOM 0 H LEU A 110 106.791 -1.404 -6.110 1.00 0.00 H new ATOM 0 HA LEU A 110 108.577 -3.600 -5.666 1.00 0.00 H new ATOM 0 HB2 LEU A 110 107.592 -1.690 -3.551 1.00 0.00 H new ATOM 0 HB3 LEU A 110 109.181 -2.407 -3.731 1.00 0.00 H new ATOM 0 HG LEU A 110 108.018 0.013 -5.025 1.00 0.00 H new ATOM 0 HD11 LEU A 110 110.316 0.842 -4.691 1.00 0.00 H new ATOM 0 HD12 LEU A 110 109.621 0.197 -3.185 1.00 0.00 H new ATOM 0 HD13 LEU A 110 110.805 -0.764 -4.102 1.00 0.00 H new ATOM 0 HD21 LEU A 110 109.646 -0.083 -6.875 1.00 0.00 H new ATOM 0 HD22 LEU A 110 110.110 -1.727 -6.375 1.00 0.00 H new ATOM 0 HD23 LEU A 110 108.462 -1.408 -6.967 1.00 0.00 H new ATOM 1787 N ALA A 111 105.583 -3.915 -4.651 1.00 0.00 N ATOM 1788 CA ALA A 111 104.643 -4.780 -3.954 1.00 0.00 C ATOM 1789 C ALA A 111 104.475 -6.117 -4.669 1.00 0.00 C ATOM 1790 O ALA A 111 103.972 -7.079 -4.089 1.00 0.00 O ATOM 1791 CB ALA A 111 103.299 -4.087 -3.811 1.00 0.00 C ATOM 0 H ALA A 111 105.153 -3.263 -5.307 1.00 0.00 H new ATOM 0 HA ALA A 111 105.048 -4.982 -2.963 1.00 0.00 H new ATOM 0 HB1 ALA A 111 102.604 -4.744 -3.288 1.00 0.00 H new ATOM 0 HB2 ALA A 111 103.424 -3.165 -3.243 1.00 0.00 H new ATOM 0 HB3 ALA A 111 102.903 -3.854 -4.799 1.00 0.00 H new ATOM 1797 N LYS A 112 104.888 -6.175 -5.933 1.00 0.00 N ATOM 1798 CA LYS A 112 104.766 -7.403 -6.711 1.00 0.00 C ATOM 1799 C LYS A 112 106.130 -7.910 -7.169 1.00 0.00 C ATOM 1800 O LYS A 112 106.608 -8.944 -6.700 1.00 0.00 O ATOM 1801 CB LYS A 112 103.861 -7.180 -7.924 1.00 0.00 C ATOM 1802 CG LYS A 112 103.637 -5.714 -8.255 1.00 0.00 C ATOM 1803 CD LYS A 112 103.092 -5.537 -9.663 1.00 0.00 C ATOM 1804 CE LYS A 112 103.498 -4.197 -10.254 1.00 0.00 C ATOM 1805 NZ LYS A 112 102.988 -4.025 -11.642 1.00 0.00 N ATOM 0 H LYS A 112 105.307 -5.393 -6.436 1.00 0.00 H new ATOM 0 HA LYS A 112 104.320 -8.159 -6.065 1.00 0.00 H new ATOM 0 HB2 LYS A 112 104.299 -7.676 -8.790 1.00 0.00 H new ATOM 0 HB3 LYS A 112 102.897 -7.654 -7.739 1.00 0.00 H new ATOM 0 HG2 LYS A 112 102.941 -5.280 -7.537 1.00 0.00 H new ATOM 0 HG3 LYS A 112 104.576 -5.170 -8.156 1.00 0.00 H new ATOM 0 HD2 LYS A 112 103.458 -6.342 -10.300 1.00 0.00 H new ATOM 0 HD3 LYS A 112 102.005 -5.614 -9.646 1.00 0.00 H new ATOM 0 HE2 LYS A 112 103.117 -3.392 -9.625 1.00 0.00 H new ATOM 0 HE3 LYS A 112 104.585 -4.114 -10.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 103.257 -3.085 -11.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 103.398 -4.758 -12.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 101.952 -4.112 -11.644 1.00 0.00 H new ATOM 1819 N SER A 113 106.749 -7.181 -8.089 1.00 0.00 N ATOM 1820 CA SER A 113 108.054 -7.562 -8.614 1.00 0.00 C ATOM 1821 C SER A 113 109.039 -7.834 -7.483 1.00 0.00 C ATOM 1822 O SER A 113 109.900 -8.709 -7.592 1.00 0.00 O ATOM 1823 CB SER A 113 108.602 -6.464 -9.527 1.00 0.00 C ATOM 1824 OG SER A 113 109.316 -7.017 -10.619 1.00 0.00 O ATOM 0 H SER A 113 106.368 -6.323 -8.487 1.00 0.00 H new ATOM 0 HA SER A 113 107.929 -8.478 -9.192 1.00 0.00 H new ATOM 0 HB2 SER A 113 107.780 -5.852 -9.899 1.00 0.00 H new ATOM 0 HB3 SER A 113 109.257 -5.806 -8.956 1.00 0.00 H new ATOM 0 HG SER A 113 109.654 -6.295 -11.188 1.00 0.00 H new ATOM 1830 N PHE A 114 108.912 -7.076 -6.400 1.00 0.00 N ATOM 1831 CA PHE A 114 109.796 -7.231 -5.251 1.00 0.00 C ATOM 1832 C PHE A 114 109.138 -8.056 -4.148 1.00 0.00 C ATOM 1833 O PHE A 114 109.758 -8.344 -3.125 1.00 0.00 O ATOM 1834 CB PHE A 114 110.198 -5.858 -4.715 1.00 0.00 C ATOM 1835 CG PHE A 114 111.025 -5.062 -5.686 1.00 0.00 C ATOM 1836 CD1 PHE A 114 111.881 -5.698 -6.570 1.00 0.00 C ATOM 1837 CD2 PHE A 114 110.940 -3.680 -5.718 1.00 0.00 C ATOM 1838 CE1 PHE A 114 112.638 -4.970 -7.469 1.00 0.00 C ATOM 1839 CE2 PHE A 114 111.694 -2.947 -6.613 1.00 0.00 C ATOM 1840 CZ PHE A 114 112.544 -3.592 -7.489 1.00 0.00 C ATOM 0 H PHE A 114 108.206 -6.348 -6.294 1.00 0.00 H new ATOM 0 HA PHE A 114 110.687 -7.766 -5.579 1.00 0.00 H new ATOM 0 HB2 PHE A 114 109.299 -5.295 -4.467 1.00 0.00 H new ATOM 0 HB3 PHE A 114 110.759 -5.987 -3.790 1.00 0.00 H new ATOM 0 HD1 PHE A 114 111.958 -6.775 -6.557 1.00 0.00 H new ATOM 0 HD2 PHE A 114 110.277 -3.170 -5.035 1.00 0.00 H new ATOM 0 HE1 PHE A 114 113.301 -5.477 -8.154 1.00 0.00 H new ATOM 0 HE2 PHE A 114 111.619 -1.870 -6.628 1.00 0.00 H new ATOM 0 HZ PHE A 114 113.135 -3.020 -8.189 1.00 0.00 H new ATOM 1850 N GLY A 115 107.880 -8.434 -4.360 1.00 0.00 N ATOM 1851 CA GLY A 115 107.170 -9.222 -3.372 1.00 0.00 C ATOM 1852 C GLY A 115 106.179 -10.180 -4.000 1.00 0.00 C ATOM 1853 O GLY A 115 106.565 -11.128 -4.682 1.00 0.00 O ATOM 0 H GLY A 115 107.342 -8.208 -5.197 1.00 0.00 H new ATOM 0 HA2 GLY A 115 107.888 -9.785 -2.776 1.00 0.00 H new ATOM 0 HA3 GLY A 115 106.644 -8.555 -2.689 1.00 0.00 H new ATOM 1857 N ALA A 116 104.895 -9.931 -3.767 1.00 0.00 N ATOM 1858 CA ALA A 116 103.840 -10.778 -4.312 1.00 0.00 C ATOM 1859 C ALA A 116 102.715 -9.937 -4.909 1.00 0.00 C ATOM 1860 O ALA A 116 102.467 -8.815 -4.471 1.00 0.00 O ATOM 1861 CB ALA A 116 103.294 -11.701 -3.233 1.00 0.00 C ATOM 0 H ALA A 116 104.559 -9.149 -3.204 1.00 0.00 H new ATOM 0 HA ALA A 116 104.270 -11.384 -5.110 1.00 0.00 H new ATOM 0 HB1 ALA A 116 102.507 -12.327 -3.654 1.00 0.00 H new ATOM 0 HB2 ALA A 116 104.097 -12.333 -2.854 1.00 0.00 H new ATOM 0 HB3 ALA A 116 102.886 -11.105 -2.417 1.00 0.00 H new ATOM 1867 N GLU A 117 102.036 -10.489 -5.910 1.00 0.00 N ATOM 1868 CA GLU A 117 100.937 -9.787 -6.561 1.00 0.00 C ATOM 1869 C GLU A 117 99.784 -9.561 -5.587 1.00 0.00 C ATOM 1870 O GLU A 117 99.750 -8.559 -4.875 1.00 0.00 O ATOM 1871 CB GLU A 117 100.448 -10.575 -7.778 1.00 0.00 C ATOM 1872 CG GLU A 117 99.208 -9.984 -8.427 1.00 0.00 C ATOM 1873 CD GLU A 117 98.023 -10.929 -8.387 1.00 0.00 C ATOM 1874 OE1 GLU A 117 97.954 -11.756 -7.454 1.00 0.00 O ATOM 1875 OE2 GLU A 117 97.164 -10.843 -9.290 1.00 0.00 O ATOM 0 H GLU A 117 102.227 -11.417 -6.287 1.00 0.00 H new ATOM 0 HA GLU A 117 101.304 -8.816 -6.892 1.00 0.00 H new ATOM 0 HB2 GLU A 117 101.248 -10.620 -8.517 1.00 0.00 H new ATOM 0 HB3 GLU A 117 100.236 -11.600 -7.475 1.00 0.00 H new ATOM 0 HG2 GLU A 117 98.945 -9.055 -7.921 1.00 0.00 H new ATOM 0 HG3 GLU A 117 99.431 -9.730 -9.463 1.00 0.00 H new ATOM 1882 N ASP A 118 98.843 -10.502 -5.560 1.00 0.00 N ATOM 1883 CA ASP A 118 97.688 -10.410 -4.672 1.00 0.00 C ATOM 1884 C ASP A 118 97.246 -8.960 -4.497 1.00 0.00 C ATOM 1885 O ASP A 118 96.442 -8.448 -5.275 1.00 0.00 O ATOM 1886 CB ASP A 118 98.016 -11.024 -3.310 1.00 0.00 C ATOM 1887 CG ASP A 118 97.041 -10.593 -2.233 1.00 0.00 C ATOM 1888 OD1 ASP A 118 95.847 -10.412 -2.550 1.00 0.00 O ATOM 1889 OD2 ASP A 118 97.472 -10.437 -1.070 1.00 0.00 O ATOM 0 H ASP A 118 98.858 -11.338 -6.144 1.00 0.00 H new ATOM 0 HA ASP A 118 96.868 -10.966 -5.126 1.00 0.00 H new ATOM 0 HB2 ASP A 118 98.005 -12.111 -3.392 1.00 0.00 H new ATOM 0 HB3 ASP A 118 99.026 -10.736 -3.018 1.00 0.00 H new ATOM 1894 N SER A 119 97.780 -8.303 -3.472 1.00 0.00 N ATOM 1895 CA SER A 119 97.441 -6.910 -3.198 1.00 0.00 C ATOM 1896 C SER A 119 98.451 -5.970 -3.846 1.00 0.00 C ATOM 1897 O SER A 119 99.443 -5.586 -3.226 1.00 0.00 O ATOM 1898 CB SER A 119 97.391 -6.664 -1.689 1.00 0.00 C ATOM 1899 OG SER A 119 97.806 -7.812 -0.970 1.00 0.00 O ATOM 0 H SER A 119 98.448 -8.712 -2.818 1.00 0.00 H new ATOM 0 HA SER A 119 96.458 -6.708 -3.624 1.00 0.00 H new ATOM 0 HB2 SER A 119 98.032 -5.820 -1.434 1.00 0.00 H new ATOM 0 HB3 SER A 119 96.377 -6.394 -1.395 1.00 0.00 H new ATOM 0 HG SER A 119 97.766 -7.628 -0.008 1.00 0.00 H new ATOM 1905 N HIS A 120 98.194 -5.605 -5.096 1.00 0.00 N ATOM 1906 CA HIS A 120 99.082 -4.711 -5.829 1.00 0.00 C ATOM 1907 C HIS A 120 98.686 -3.252 -5.621 1.00 0.00 C ATOM 1908 O HIS A 120 99.440 -2.472 -5.045 1.00 0.00 O ATOM 1909 CB HIS A 120 99.064 -5.048 -7.322 1.00 0.00 C ATOM 1910 CG HIS A 120 97.705 -5.398 -7.840 1.00 0.00 C ATOM 1911 ND1 HIS A 120 96.912 -4.509 -8.536 1.00 0.00 N ATOM 1912 CD2 HIS A 120 96.997 -6.551 -7.765 1.00 0.00 C ATOM 1913 CE1 HIS A 120 95.776 -5.099 -8.865 1.00 0.00 C ATOM 1914 NE2 HIS A 120 95.803 -6.338 -8.410 1.00 0.00 N ATOM 0 H HIS A 120 97.378 -5.914 -5.624 1.00 0.00 H new ATOM 0 HA HIS A 120 100.092 -4.852 -5.443 1.00 0.00 H new ATOM 0 HB2 HIS A 120 99.449 -4.197 -7.883 1.00 0.00 H new ATOM 0 HB3 HIS A 120 99.740 -5.883 -7.506 1.00 0.00 H new ATOM 0 HD2 HIS A 120 97.313 -7.467 -7.287 1.00 0.00 H new ATOM 0 HE1 HIS A 120 94.964 -4.645 -9.413 1.00 0.00 H new ATOM 0 HE2 HIS A 120 95.058 -7.026 -8.520 1.00 0.00 H new ATOM 1923 N LYS A 121 97.502 -2.890 -6.098 1.00 0.00 N ATOM 1924 CA LYS A 121 97.014 -1.522 -5.963 1.00 0.00 C ATOM 1925 C LYS A 121 96.904 -1.118 -4.496 1.00 0.00 C ATOM 1926 O LYS A 121 97.099 0.047 -4.148 1.00 0.00 O ATOM 1927 CB LYS A 121 95.653 -1.378 -6.647 1.00 0.00 C ATOM 1928 CG LYS A 121 95.655 -0.389 -7.801 1.00 0.00 C ATOM 1929 CD LYS A 121 95.247 1.002 -7.344 1.00 0.00 C ATOM 1930 CE LYS A 121 94.532 1.765 -8.448 1.00 0.00 C ATOM 1931 NZ LYS A 121 95.188 1.572 -9.771 1.00 0.00 N ATOM 0 H LYS A 121 96.863 -3.522 -6.581 1.00 0.00 H new ATOM 0 HA LYS A 121 97.732 -0.859 -6.446 1.00 0.00 H new ATOM 0 HB2 LYS A 121 95.336 -2.353 -7.016 1.00 0.00 H new ATOM 0 HB3 LYS A 121 94.916 -1.061 -5.909 1.00 0.00 H new ATOM 0 HG2 LYS A 121 96.649 -0.350 -8.246 1.00 0.00 H new ATOM 0 HG3 LYS A 121 94.972 -0.733 -8.577 1.00 0.00 H new ATOM 0 HD2 LYS A 121 94.595 0.923 -6.474 1.00 0.00 H new ATOM 0 HD3 LYS A 121 96.131 1.557 -7.031 1.00 0.00 H new ATOM 0 HE2 LYS A 121 93.495 1.434 -8.505 1.00 0.00 H new ATOM 0 HE3 LYS A 121 94.515 2.827 -8.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 94.961 2.375 -10.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 96.218 1.515 -9.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 94.844 0.691 -10.204 1.00 0.00 H new ATOM 1945 N PHE A 122 96.591 -2.085 -3.640 1.00 0.00 N ATOM 1946 CA PHE A 122 96.448 -1.823 -2.212 1.00 0.00 C ATOM 1947 C PHE A 122 97.732 -1.243 -1.630 1.00 0.00 C ATOM 1948 O PHE A 122 97.692 -0.372 -0.760 1.00 0.00 O ATOM 1949 CB PHE A 122 96.076 -3.110 -1.472 1.00 0.00 C ATOM 1950 CG PHE A 122 95.924 -2.929 0.012 1.00 0.00 C ATOM 1951 CD1 PHE A 122 94.826 -2.263 0.532 1.00 0.00 C ATOM 1952 CD2 PHE A 122 96.878 -3.427 0.884 1.00 0.00 C ATOM 1953 CE1 PHE A 122 94.684 -2.095 1.897 1.00 0.00 C ATOM 1954 CE2 PHE A 122 96.741 -3.262 2.249 1.00 0.00 C ATOM 1955 CZ PHE A 122 95.643 -2.596 2.756 1.00 0.00 C ATOM 0 H PHE A 122 96.432 -3.056 -3.909 1.00 0.00 H new ATOM 0 HA PHE A 122 95.651 -1.091 -2.082 1.00 0.00 H new ATOM 0 HB2 PHE A 122 95.142 -3.497 -1.880 1.00 0.00 H new ATOM 0 HB3 PHE A 122 96.842 -3.862 -1.661 1.00 0.00 H new ATOM 0 HD1 PHE A 122 94.073 -1.871 -0.136 1.00 0.00 H new ATOM 0 HD2 PHE A 122 97.738 -3.950 0.493 1.00 0.00 H new ATOM 0 HE1 PHE A 122 93.825 -1.573 2.291 1.00 0.00 H new ATOM 0 HE2 PHE A 122 97.492 -3.654 2.919 1.00 0.00 H new ATOM 0 HZ PHE A 122 95.534 -2.467 3.823 1.00 0.00 H new ATOM 1965 N VAL A 123 98.869 -1.719 -2.120 1.00 0.00 N ATOM 1966 CA VAL A 123 100.159 -1.235 -1.653 1.00 0.00 C ATOM 1967 C VAL A 123 100.364 0.227 -2.040 1.00 0.00 C ATOM 1968 O VAL A 123 100.942 1.006 -1.284 1.00 0.00 O ATOM 1969 CB VAL A 123 101.330 -2.092 -2.183 1.00 0.00 C ATOM 1970 CG1 VAL A 123 101.522 -1.915 -3.679 1.00 0.00 C ATOM 1971 CG2 VAL A 123 102.610 -1.755 -1.436 1.00 0.00 C ATOM 0 H VAL A 123 98.923 -2.439 -2.840 1.00 0.00 H new ATOM 0 HA VAL A 123 100.152 -1.319 -0.566 1.00 0.00 H new ATOM 0 HB VAL A 123 101.083 -3.139 -2.007 1.00 0.00 H new ATOM 0 HG11 VAL A 123 102.354 -2.533 -4.015 1.00 0.00 H new ATOM 0 HG12 VAL A 123 100.613 -2.216 -4.201 1.00 0.00 H new ATOM 0 HG13 VAL A 123 101.736 -0.869 -3.897 1.00 0.00 H new ATOM 0 HG21 VAL A 123 103.427 -2.366 -1.820 1.00 0.00 H new ATOM 0 HG22 VAL A 123 102.848 -0.701 -1.579 1.00 0.00 H new ATOM 0 HG23 VAL A 123 102.475 -1.956 -0.373 1.00 0.00 H new ATOM 1981 N ASN A 124 99.892 0.595 -3.225 1.00 0.00 N ATOM 1982 CA ASN A 124 100.032 1.961 -3.712 1.00 0.00 C ATOM 1983 C ASN A 124 99.448 2.959 -2.719 1.00 0.00 C ATOM 1984 O ASN A 124 100.081 3.964 -2.386 1.00 0.00 O ATOM 1985 CB ASN A 124 99.330 2.107 -5.062 1.00 0.00 C ATOM 1986 CG ASN A 124 99.858 3.274 -5.871 1.00 0.00 C ATOM 1987 OD1 ASN A 124 100.951 3.212 -6.434 1.00 0.00 O ATOM 1988 ND2 ASN A 124 99.081 4.348 -5.931 1.00 0.00 N ATOM 0 H ASN A 124 99.409 -0.034 -3.866 1.00 0.00 H new ATOM 0 HA ASN A 124 101.095 2.173 -3.828 1.00 0.00 H new ATOM 0 HB2 ASN A 124 99.455 1.187 -5.634 1.00 0.00 H new ATOM 0 HB3 ASN A 124 98.260 2.238 -4.899 1.00 0.00 H new ATOM 0 HD21 ASN A 124 99.382 5.167 -6.460 1.00 0.00 H new ATOM 0 HD22 ASN A 124 98.182 4.355 -5.448 1.00 0.00 H new ATOM 1995 N GLY A 125 98.241 2.676 -2.248 1.00 0.00 N ATOM 1996 CA GLY A 125 97.591 3.567 -1.310 1.00 0.00 C ATOM 1997 C GLY A 125 98.379 3.748 -0.031 1.00 0.00 C ATOM 1998 O GLY A 125 98.371 4.831 0.555 1.00 0.00 O ATOM 0 H GLY A 125 97.702 1.847 -2.499 1.00 0.00 H new ATOM 0 HA2 GLY A 125 97.444 4.539 -1.781 1.00 0.00 H new ATOM 0 HA3 GLY A 125 96.602 3.176 -1.070 1.00 0.00 H new ATOM 2002 N VAL A 126 99.077 2.703 0.403 1.00 0.00 N ATOM 2003 CA VAL A 126 99.871 2.796 1.621 1.00 0.00 C ATOM 2004 C VAL A 126 100.897 3.907 1.495 1.00 0.00 C ATOM 2005 O VAL A 126 101.108 4.682 2.428 1.00 0.00 O ATOM 2006 CB VAL A 126 100.612 1.486 1.945 1.00 0.00 C ATOM 2007 CG1 VAL A 126 99.855 0.279 1.411 1.00 0.00 C ATOM 2008 CG2 VAL A 126 102.035 1.540 1.399 1.00 0.00 C ATOM 0 H VAL A 126 99.109 1.796 -0.063 1.00 0.00 H new ATOM 0 HA VAL A 126 99.171 3.005 2.430 1.00 0.00 H new ATOM 0 HB VAL A 126 100.666 1.376 3.028 1.00 0.00 H new ATOM 0 HG11 VAL A 126 100.403 -0.631 1.655 1.00 0.00 H new ATOM 0 HG12 VAL A 126 98.865 0.240 1.866 1.00 0.00 H new ATOM 0 HG13 VAL A 126 99.754 0.362 0.329 1.00 0.00 H new ATOM 0 HG21 VAL A 126 102.550 0.609 1.634 1.00 0.00 H new ATOM 0 HG22 VAL A 126 102.005 1.676 0.318 1.00 0.00 H new ATOM 0 HG23 VAL A 126 102.568 2.374 1.855 1.00 0.00 H new ATOM 2018 N LEU A 127 101.531 3.984 0.330 1.00 0.00 N ATOM 2019 CA LEU A 127 102.529 5.008 0.086 1.00 0.00 C ATOM 2020 C LEU A 127 101.871 6.375 -0.007 1.00 0.00 C ATOM 2021 O LEU A 127 102.465 7.389 0.357 1.00 0.00 O ATOM 2022 CB LEU A 127 103.317 4.702 -1.189 1.00 0.00 C ATOM 2023 CG LEU A 127 104.826 4.535 -0.994 1.00 0.00 C ATOM 2024 CD1 LEU A 127 105.564 4.804 -2.293 1.00 0.00 C ATOM 2025 CD2 LEU A 127 105.331 5.458 0.104 1.00 0.00 C ATOM 0 H LEU A 127 101.370 3.351 -0.454 1.00 0.00 H new ATOM 0 HA LEU A 127 103.227 5.016 0.923 1.00 0.00 H new ATOM 0 HB2 LEU A 127 102.920 3.789 -1.633 1.00 0.00 H new ATOM 0 HB3 LEU A 127 103.145 5.505 -1.906 1.00 0.00 H new ATOM 0 HG LEU A 127 105.019 3.505 -0.693 1.00 0.00 H new ATOM 0 HD11 LEU A 127 106.635 4.681 -2.135 1.00 0.00 H new ATOM 0 HD12 LEU A 127 105.226 4.102 -3.055 1.00 0.00 H new ATOM 0 HD13 LEU A 127 105.361 5.823 -2.623 1.00 0.00 H new ATOM 0 HD21 LEU A 127 106.406 5.324 0.227 1.00 0.00 H new ATOM 0 HD22 LEU A 127 105.123 6.493 -0.167 1.00 0.00 H new ATOM 0 HD23 LEU A 127 104.826 5.220 1.040 1.00 0.00 H new ATOM 2037 N ASP A 128 100.632 6.394 -0.490 1.00 0.00 N ATOM 2038 CA ASP A 128 99.887 7.638 -0.622 1.00 0.00 C ATOM 2039 C ASP A 128 99.678 8.273 0.745 1.00 0.00 C ATOM 2040 O ASP A 128 99.869 9.474 0.919 1.00 0.00 O ATOM 2041 CB ASP A 128 98.537 7.383 -1.294 1.00 0.00 C ATOM 2042 CG ASP A 128 97.955 8.636 -1.918 1.00 0.00 C ATOM 2043 OD1 ASP A 128 98.638 9.251 -2.763 1.00 0.00 O ATOM 2044 OD2 ASP A 128 96.815 9.003 -1.561 1.00 0.00 O ATOM 0 H ASP A 128 100.125 5.563 -0.795 1.00 0.00 H new ATOM 0 HA ASP A 128 100.463 8.322 -1.245 1.00 0.00 H new ATOM 0 HB2 ASP A 128 98.656 6.619 -2.063 1.00 0.00 H new ATOM 0 HB3 ASP A 128 97.837 6.988 -0.558 1.00 0.00 H new ATOM 2049 N LYS A 129 99.288 7.451 1.714 1.00 0.00 N ATOM 2050 CA LYS A 129 99.062 7.926 3.072 1.00 0.00 C ATOM 2051 C LYS A 129 100.384 8.121 3.809 1.00 0.00 C ATOM 2052 O LYS A 129 100.572 9.112 4.515 1.00 0.00 O ATOM 2053 CB LYS A 129 98.178 6.942 3.840 1.00 0.00 C ATOM 2054 CG LYS A 129 97.083 6.315 2.991 1.00 0.00 C ATOM 2055 CD LYS A 129 95.744 6.998 3.218 1.00 0.00 C ATOM 2056 CE LYS A 129 94.749 6.646 2.124 1.00 0.00 C ATOM 2057 NZ LYS A 129 93.381 7.144 2.436 1.00 0.00 N ATOM 0 H LYS A 129 99.122 6.453 1.583 1.00 0.00 H new ATOM 0 HA LYS A 129 98.555 8.889 3.012 1.00 0.00 H new ATOM 0 HB2 LYS A 129 98.804 6.151 4.253 1.00 0.00 H new ATOM 0 HB3 LYS A 129 97.721 7.460 4.683 1.00 0.00 H new ATOM 0 HG2 LYS A 129 97.354 6.383 1.937 1.00 0.00 H new ATOM 0 HG3 LYS A 129 96.997 5.255 3.230 1.00 0.00 H new ATOM 0 HD2 LYS A 129 95.342 6.701 4.187 1.00 0.00 H new ATOM 0 HD3 LYS A 129 95.886 8.078 3.249 1.00 0.00 H new ATOM 0 HE2 LYS A 129 95.084 7.072 1.178 1.00 0.00 H new ATOM 0 HE3 LYS A 129 94.721 5.564 1.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 92.733 6.884 1.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 93.051 6.718 3.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 93.403 8.179 2.535 1.00 0.00 H new ATOM 2071 N ALA A 130 101.296 7.163 3.648 1.00 0.00 N ATOM 2072 CA ALA A 130 102.596 7.225 4.306 1.00 0.00 C ATOM 2073 C ALA A 130 103.499 8.290 3.688 1.00 0.00 C ATOM 2074 O ALA A 130 104.362 8.848 4.362 1.00 0.00 O ATOM 2075 CB ALA A 130 103.274 5.866 4.245 1.00 0.00 C ATOM 0 H ALA A 130 101.157 6.336 3.067 1.00 0.00 H new ATOM 0 HA ALA A 130 102.426 7.503 5.346 1.00 0.00 H new ATOM 0 HB1 ALA A 130 104.244 5.921 4.739 1.00 0.00 H new ATOM 0 HB2 ALA A 130 102.652 5.126 4.749 1.00 0.00 H new ATOM 0 HB3 ALA A 130 103.413 5.575 3.204 1.00 0.00 H new ATOM 2081 N ALA A 131 103.310 8.555 2.402 1.00 0.00 N ATOM 2082 CA ALA A 131 104.128 9.533 1.695 1.00 0.00 C ATOM 2083 C ALA A 131 104.111 10.898 2.374 1.00 0.00 C ATOM 2084 O ALA A 131 105.132 11.372 2.872 1.00 0.00 O ATOM 2085 CB ALA A 131 103.664 9.661 0.253 1.00 0.00 C ATOM 0 H ALA A 131 102.597 8.106 1.827 1.00 0.00 H new ATOM 0 HA ALA A 131 105.156 9.171 1.716 1.00 0.00 H new ATOM 0 HB1 ALA A 131 104.283 10.394 -0.265 1.00 0.00 H new ATOM 0 HB2 ALA A 131 103.753 8.695 -0.245 1.00 0.00 H new ATOM 0 HB3 ALA A 131 102.624 9.985 0.233 1.00 0.00 H new ATOM 2091 N PRO A 132 102.944 11.549 2.389 1.00 0.00 N ATOM 2092 CA PRO A 132 102.769 12.877 2.989 1.00 0.00 C ATOM 2093 C PRO A 132 103.171 12.931 4.462 1.00 0.00 C ATOM 2094 O PRO A 132 103.263 14.011 5.045 1.00 0.00 O ATOM 2095 CB PRO A 132 101.266 13.150 2.832 1.00 0.00 C ATOM 2096 CG PRO A 132 100.655 11.819 2.548 1.00 0.00 C ATOM 2097 CD PRO A 132 101.698 11.045 1.805 1.00 0.00 C ATOM 0 HA PRO A 132 103.407 13.617 2.505 1.00 0.00 H new ATOM 0 HB2 PRO A 132 100.849 13.590 3.738 1.00 0.00 H new ATOM 0 HB3 PRO A 132 101.076 13.852 2.020 1.00 0.00 H new ATOM 0 HG2 PRO A 132 100.375 11.312 3.471 1.00 0.00 H new ATOM 0 HG3 PRO A 132 99.747 11.924 1.954 1.00 0.00 H new ATOM 0 HD2 PRO A 132 101.587 9.971 1.951 1.00 0.00 H new ATOM 0 HD3 PRO A 132 101.650 11.227 0.731 1.00 0.00 H new ATOM 2105 N VAL A 133 103.409 11.770 5.065 1.00 0.00 N ATOM 2106 CA VAL A 133 103.798 11.711 6.467 1.00 0.00 C ATOM 2107 C VAL A 133 105.187 12.305 6.682 1.00 0.00 C ATOM 2108 O VAL A 133 105.363 13.216 7.492 1.00 0.00 O ATOM 2109 CB VAL A 133 103.781 10.268 6.997 1.00 0.00 C ATOM 2110 CG1 VAL A 133 104.479 10.190 8.343 1.00 0.00 C ATOM 2111 CG2 VAL A 133 102.354 9.751 7.096 1.00 0.00 C ATOM 0 H VAL A 133 103.339 10.862 4.606 1.00 0.00 H new ATOM 0 HA VAL A 133 103.066 12.300 7.020 1.00 0.00 H new ATOM 0 HB VAL A 133 104.322 9.634 6.294 1.00 0.00 H new ATOM 0 HG11 VAL A 133 104.458 9.162 8.705 1.00 0.00 H new ATOM 0 HG12 VAL A 133 105.513 10.516 8.236 1.00 0.00 H new ATOM 0 HG13 VAL A 133 103.967 10.836 9.056 1.00 0.00 H new ATOM 0 HG21 VAL A 133 102.363 8.728 7.473 1.00 0.00 H new ATOM 0 HG22 VAL A 133 101.784 10.384 7.777 1.00 0.00 H new ATOM 0 HG23 VAL A 133 101.891 9.770 6.109 1.00 0.00 H new ATOM 2121 N ILE A 134 106.175 11.789 5.952 1.00 0.00 N ATOM 2122 CA ILE A 134 107.543 12.281 6.070 1.00 0.00 C ATOM 2123 C ILE A 134 107.624 13.753 5.682 1.00 0.00 C ATOM 2124 O ILE A 134 108.330 14.536 6.316 1.00 0.00 O ATOM 2125 CB ILE A 134 108.520 11.477 5.186 1.00 0.00 C ATOM 2126 CG1 ILE A 134 109.259 10.426 6.019 1.00 0.00 C ATOM 2127 CG2 ILE A 134 109.508 12.415 4.511 1.00 0.00 C ATOM 2128 CD1 ILE A 134 108.444 9.182 6.277 1.00 0.00 C ATOM 0 H ILE A 134 106.053 11.034 5.277 1.00 0.00 H new ATOM 0 HA ILE A 134 107.832 12.158 7.114 1.00 0.00 H new ATOM 0 HB ILE A 134 107.948 10.960 4.416 1.00 0.00 H new ATOM 0 HG12 ILE A 134 110.179 10.148 5.506 1.00 0.00 H new ATOM 0 HG13 ILE A 134 109.547 10.867 6.973 1.00 0.00 H new ATOM 0 HG21 ILE A 134 110.192 11.837 3.890 1.00 0.00 H new ATOM 0 HG22 ILE A 134 108.966 13.127 3.888 1.00 0.00 H new ATOM 0 HG23 ILE A 134 110.075 12.954 5.270 1.00 0.00 H new ATOM 0 HD11 ILE A 134 109.029 8.481 6.872 1.00 0.00 H new ATOM 0 HD12 ILE A 134 107.536 9.448 6.818 1.00 0.00 H new ATOM 0 HD13 ILE A 134 108.178 8.718 5.327 1.00 0.00 H new ATOM 2140 N ARG A 135 106.892 14.122 4.636 1.00 0.00 N ATOM 2141 CA ARG A 135 106.874 15.498 4.160 1.00 0.00 C ATOM 2142 C ARG A 135 106.288 16.430 5.215 1.00 0.00 C ATOM 2143 O ARG A 135 105.739 15.982 6.221 1.00 0.00 O ATOM 2144 CB ARG A 135 106.063 15.596 2.867 1.00 0.00 C ATOM 2145 CG ARG A 135 106.917 15.780 1.624 1.00 0.00 C ATOM 2146 CD ARG A 135 106.074 16.178 0.423 1.00 0.00 C ATOM 2147 NE ARG A 135 105.148 17.262 0.738 1.00 0.00 N ATOM 2148 CZ ARG A 135 105.516 18.533 0.857 1.00 0.00 C ATOM 2149 NH1 ARG A 135 106.786 18.877 0.688 1.00 0.00 N ATOM 2150 NH2 ARG A 135 104.616 19.462 1.146 1.00 0.00 N ATOM 0 H ARG A 135 106.302 13.484 4.101 1.00 0.00 H new ATOM 0 HA ARG A 135 107.901 15.805 3.963 1.00 0.00 H new ATOM 0 HB2 ARG A 135 105.464 14.693 2.755 1.00 0.00 H new ATOM 0 HB3 ARG A 135 105.368 16.432 2.947 1.00 0.00 H new ATOM 0 HG2 ARG A 135 107.672 16.544 1.810 1.00 0.00 H new ATOM 0 HG3 ARG A 135 107.448 14.854 1.406 1.00 0.00 H new ATOM 0 HD2 ARG A 135 106.728 16.486 -0.393 1.00 0.00 H new ATOM 0 HD3 ARG A 135 105.512 15.312 0.072 1.00 0.00 H new ATOM 0 HE ARG A 135 104.164 17.031 0.874 1.00 0.00 H new ATOM 0 HH11 ARG A 135 107.482 18.165 0.466 1.00 0.00 H new ATOM 0 HH12 ARG A 135 107.066 19.853 0.780 1.00 0.00 H new ATOM 0 HH21 ARG A 135 103.639 19.202 1.278 1.00 0.00 H new ATOM 0 HH22 ARG A 135 104.901 20.437 1.237 1.00 0.00 H new ATOM 2164 N PRO A 136 106.397 17.745 4.989 1.00 0.00 N ATOM 2165 CA PRO A 136 105.877 18.759 5.914 1.00 0.00 C ATOM 2166 C PRO A 136 104.372 18.633 6.121 1.00 0.00 C ATOM 2167 O PRO A 136 103.825 19.143 7.099 1.00 0.00 O ATOM 2168 CB PRO A 136 106.212 20.088 5.223 1.00 0.00 C ATOM 2169 CG PRO A 136 106.460 19.735 3.796 1.00 0.00 C ATOM 2170 CD PRO A 136 107.033 18.348 3.811 1.00 0.00 C ATOM 0 HA PRO A 136 106.313 18.662 6.908 1.00 0.00 H new ATOM 0 HB2 PRO A 136 105.390 20.798 5.316 1.00 0.00 H new ATOM 0 HB3 PRO A 136 107.089 20.555 5.671 1.00 0.00 H new ATOM 0 HG2 PRO A 136 105.536 19.770 3.218 1.00 0.00 H new ATOM 0 HG3 PRO A 136 107.152 20.439 3.334 1.00 0.00 H new ATOM 0 HD2 PRO A 136 106.794 17.802 2.898 1.00 0.00 H new ATOM 0 HD3 PRO A 136 108.119 18.360 3.900 1.00 0.00 H new ATOM 2178 N ASN A 137 103.707 17.949 5.195 1.00 0.00 N ATOM 2179 CA ASN A 137 102.263 17.755 5.277 1.00 0.00 C ATOM 2180 C ASN A 137 101.750 16.974 4.072 1.00 0.00 C ATOM 2181 O ASN A 137 102.532 16.448 3.281 1.00 0.00 O ATOM 2182 CB ASN A 137 101.551 19.106 5.366 1.00 0.00 C ATOM 2183 CG ASN A 137 102.367 20.231 4.762 1.00 0.00 C ATOM 2184 OD1 ASN A 137 102.504 20.329 3.543 1.00 0.00 O ATOM 2185 ND2 ASN A 137 102.915 21.088 5.615 1.00 0.00 N ATOM 0 H ASN A 137 104.145 17.520 4.380 1.00 0.00 H new ATOM 0 HA ASN A 137 102.049 17.179 6.177 1.00 0.00 H new ATOM 0 HB2 ASN A 137 100.591 19.042 4.854 1.00 0.00 H new ATOM 0 HB3 ASN A 137 101.340 19.334 6.411 1.00 0.00 H new ATOM 0 HD21 ASN A 137 103.476 21.866 5.267 1.00 0.00 H new ATOM 0 HD22 ASN A 137 102.775 20.969 6.618 1.00 0.00 H new ATOM 2192 N LYS A 138 100.430 16.903 3.938 1.00 0.00 N ATOM 2193 CA LYS A 138 99.811 16.186 2.829 1.00 0.00 C ATOM 2194 C LYS A 138 99.218 17.159 1.816 1.00 0.00 C ATOM 2195 O LYS A 138 98.233 17.842 2.098 1.00 0.00 O ATOM 2196 CB LYS A 138 98.721 15.244 3.346 1.00 0.00 C ATOM 2197 CG LYS A 138 97.798 15.885 4.369 1.00 0.00 C ATOM 2198 CD LYS A 138 98.410 15.866 5.761 1.00 0.00 C ATOM 2199 CE LYS A 138 97.640 14.945 6.694 1.00 0.00 C ATOM 2200 NZ LYS A 138 96.479 15.635 7.321 1.00 0.00 N ATOM 0 H LYS A 138 99.768 17.333 4.584 1.00 0.00 H new ATOM 0 HA LYS A 138 100.584 15.598 2.334 1.00 0.00 H new ATOM 0 HB2 LYS A 138 98.127 14.892 2.503 1.00 0.00 H new ATOM 0 HB3 LYS A 138 99.191 14.368 3.792 1.00 0.00 H new ATOM 0 HG2 LYS A 138 97.588 16.914 4.077 1.00 0.00 H new ATOM 0 HG3 LYS A 138 96.845 15.356 4.382 1.00 0.00 H new ATOM 0 HD2 LYS A 138 99.448 15.539 5.699 1.00 0.00 H new ATOM 0 HD3 LYS A 138 98.418 16.876 6.170 1.00 0.00 H new ATOM 0 HE2 LYS A 138 97.289 14.076 6.138 1.00 0.00 H new ATOM 0 HE3 LYS A 138 98.307 14.577 7.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 95.980 14.974 7.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 96.816 16.450 7.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 95.829 15.964 6.579 1.00 0.00 H new ATOM 2214 N LYS A 139 99.823 17.218 0.634 1.00 0.00 N ATOM 2215 CA LYS A 139 99.354 18.108 -0.422 1.00 0.00 C ATOM 2216 C LYS A 139 98.377 17.387 -1.346 1.00 0.00 C ATOM 2217 O LYS A 139 97.814 18.050 -2.243 1.00 0.00 O ATOM 2218 CB LYS A 139 100.537 18.644 -1.229 1.00 0.00 C ATOM 2219 CG LYS A 139 101.592 19.332 -0.378 1.00 0.00 C ATOM 2220 CD LYS A 139 101.978 20.684 -0.956 1.00 0.00 C ATOM 2221 CE LYS A 139 103.410 20.681 -1.469 1.00 0.00 C ATOM 2222 NZ LYS A 139 103.467 20.603 -2.954 1.00 0.00 N ATOM 2223 OXT LYS A 139 98.186 16.166 -1.168 1.00 0.00 O ATOM 0 H LYS A 139 100.639 16.660 0.383 1.00 0.00 H new ATOM 0 HA LYS A 139 98.834 18.944 0.046 1.00 0.00 H new ATOM 0 HB2 LYS A 139 101.000 17.819 -1.771 1.00 0.00 H new ATOM 0 HB3 LYS A 139 100.168 19.348 -1.975 1.00 0.00 H new ATOM 0 HG2 LYS A 139 101.215 19.463 0.636 1.00 0.00 H new ATOM 0 HG3 LYS A 139 102.476 18.698 -0.310 1.00 0.00 H new ATOM 0 HD2 LYS A 139 101.299 20.941 -1.769 1.00 0.00 H new ATOM 0 HD3 LYS A 139 101.865 21.453 -0.192 1.00 0.00 H new ATOM 0 HE2 LYS A 139 103.918 21.585 -1.133 1.00 0.00 H new ATOM 0 HE3 LYS A 139 103.948 19.835 -1.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 139 104.460 20.603 -3.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 139 103.005 19.728 -3.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 139 102.976 21.423 -3.364 1.00 0.00 H new TER 2237 LYS A 139