USER MOD reduce.3.24.130724 H: found=0, std=0, add=1130, rem=0, adj=24 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 90 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 94 LYS NZ :NH3+ 167:sc= -0.651 (180deg=-0.91) USER MOD Set 2.1: A 66 MET CE :methyl 174:sc= -3.3! (180deg=-3.68!) USER MOD Set 2.2: A 69 TYR OH : rot -90:sc= -0.141 USER MOD Set 2.3: A 82 LYS NZ :NH3+ -152:sc= -3.21 (180deg=-4.85!) USER MOD Set 3.1: A 57 THR OG1 : rot -72:sc= 1.1 USER MOD Set 3.2: A 58 ASN : amide:sc= -0.955! X(o=0.15!,f=-0.21) USER MOD Set 4.1: A 21 GLN : amide:sc= -2.85 K(o=-7.6,f=-4.8) USER MOD Set 4.2: A 79 GLN : amide:sc= -4.7! C(o=-7.6!,f=-5.4!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 CYS SG : rot -45:sc= -2.03! USER MOD Single : A 15 GLN : amide:sc= -0.286 K(o=-0.29,f=-2.4!) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -2.51 K(o=-2.5,f=-1.7!) USER MOD Single : A 25 ASN : amide:sc= -1.35 K(o=-1.3,f=-0.59) USER MOD Single : A 32 TYR OH : rot -31:sc= -1.73 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 GLN : amide:sc= -0.341 K(o=-0.34,f=-2.7!) USER MOD Single : A 41 LYS NZ :NH3+ 168:sc= -0.0267 (180deg=-0.203) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot -85:sc= 0.957 USER MOD Single : A 61 TYR OH : rot 2:sc= -2.6! 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 93 SER OG : rot -174:sc= -4.42! USER MOD Single : A 96 SER OG : rot 76:sc= 0.764 USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ -150:sc= 0.602 (180deg=0.0587) USER MOD Single : A 105 ASN : amide:sc= -0.258 X(o=-0.26,f=-0.012) USER MOD Single : A 112 LYS NZ :NH3+ 172:sc= -2.17! (180deg=-2.39!) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 120 HIS : no HD1:sc= -5.28! C(o=-5.3!,f=-8.6!) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 ASN : amide:sc= -1.94 K(o=-1.9,f=-1.2!) USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 137 ASN : amide:sc= -2.53! C(o=-2.5!,f=-5!) USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 139 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.069) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 113.048 4.910 -23.076 1.00 0.00 N ATOM 2 CA MET A 1 113.496 5.907 -22.070 1.00 0.00 C ATOM 3 C MET A 1 114.738 5.421 -21.329 1.00 0.00 C ATOM 4 O MET A 1 115.822 5.986 -21.476 1.00 0.00 O ATOM 5 CB MET A 1 112.355 6.151 -21.083 1.00 0.00 C ATOM 6 CG MET A 1 112.372 7.538 -20.462 1.00 0.00 C ATOM 7 SD MET A 1 111.111 8.625 -21.157 1.00 0.00 S ATOM 8 CE MET A 1 112.130 9.916 -21.865 1.00 0.00 C ATOM 0 H1 MET A 1 112.202 5.266 -23.565 1.00 0.00 H new ATOM 0 H2 MET A 1 113.807 4.751 -23.769 1.00 0.00 H new ATOM 0 H3 MET A 1 112.821 4.014 -22.599 1.00 0.00 H new ATOM 0 HA MET A 1 113.758 6.835 -22.578 1.00 0.00 H new ATOM 0 HB2 MET A 1 111.405 6.004 -21.596 1.00 0.00 H new ATOM 0 HB3 MET A 1 112.407 5.406 -20.289 1.00 0.00 H new ATOM 0 HG2 MET A 1 112.220 7.452 -19.386 1.00 0.00 H new ATOM 0 HG3 MET A 1 113.354 7.986 -20.610 1.00 0.00 H new ATOM 0 HE1 MET A 1 111.493 10.666 -22.334 1.00 0.00 H new ATOM 0 HE2 MET A 1 112.723 10.383 -21.079 1.00 0.00 H new ATOM 0 HE3 MET A 1 112.795 9.485 -22.614 1.00 0.00 H new ATOM 20 N LYS A 2 114.572 4.371 -20.532 1.00 0.00 N ATOM 21 CA LYS A 2 115.679 3.809 -19.767 1.00 0.00 C ATOM 22 C LYS A 2 116.107 2.460 -20.338 1.00 0.00 C ATOM 23 O LYS A 2 115.278 1.577 -20.562 1.00 0.00 O ATOM 24 CB LYS A 2 115.284 3.650 -18.298 1.00 0.00 C ATOM 25 CG LYS A 2 115.293 4.958 -17.522 1.00 0.00 C ATOM 26 CD LYS A 2 116.705 5.361 -17.128 1.00 0.00 C ATOM 27 CE LYS A 2 116.729 6.046 -15.771 1.00 0.00 C ATOM 28 NZ LYS A 2 118.119 6.339 -15.322 1.00 0.00 N ATOM 0 H LYS A 2 113.681 3.892 -20.399 1.00 0.00 H new ATOM 0 HA LYS A 2 116.521 4.497 -19.838 1.00 0.00 H new ATOM 0 HB2 LYS A 2 114.288 3.211 -18.243 1.00 0.00 H new ATOM 0 HB3 LYS A 2 115.968 2.949 -17.820 1.00 0.00 H new ATOM 0 HG2 LYS A 2 114.844 5.745 -18.128 1.00 0.00 H new ATOM 0 HG3 LYS A 2 114.679 4.856 -16.627 1.00 0.00 H new ATOM 0 HD2 LYS A 2 117.343 4.478 -17.103 1.00 0.00 H new ATOM 0 HD3 LYS A 2 117.118 6.031 -17.883 1.00 0.00 H new ATOM 0 HE2 LYS A 2 116.161 6.975 -15.823 1.00 0.00 H new ATOM 0 HE3 LYS A 2 116.236 5.411 -15.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 118.093 6.806 -14.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 118.654 5.451 -15.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 118.582 6.965 -16.011 1.00 0.00 H new ATOM 42 N PRO A 3 117.413 2.288 -20.582 1.00 0.00 N ATOM 43 CA PRO A 3 117.966 1.045 -21.131 1.00 0.00 C ATOM 44 C PRO A 3 117.728 -0.150 -20.214 1.00 0.00 C ATOM 45 O PRO A 3 118.676 -0.770 -19.729 1.00 0.00 O ATOM 46 CB PRO A 3 119.466 1.344 -21.246 1.00 0.00 C ATOM 47 CG PRO A 3 119.704 2.459 -20.292 1.00 0.00 C ATOM 48 CD PRO A 3 118.461 3.290 -20.345 1.00 0.00 C ATOM 0 HA PRO A 3 117.498 0.773 -22.077 1.00 0.00 H new ATOM 0 HB2 PRO A 3 120.065 0.470 -20.990 1.00 0.00 H new ATOM 0 HB3 PRO A 3 119.736 1.629 -22.263 1.00 0.00 H new ATOM 0 HG2 PRO A 3 119.885 2.084 -19.285 1.00 0.00 H new ATOM 0 HG3 PRO A 3 120.580 3.042 -20.577 1.00 0.00 H new ATOM 0 HD2 PRO A 3 118.298 3.834 -19.415 1.00 0.00 H new ATOM 0 HD3 PRO A 3 118.502 4.030 -21.144 1.00 0.00 H new ATOM 56 N ALA A 4 116.460 -0.468 -19.980 1.00 0.00 N ATOM 57 CA ALA A 4 116.099 -1.590 -19.121 1.00 0.00 C ATOM 58 C ALA A 4 116.342 -1.258 -17.653 1.00 0.00 C ATOM 59 O ALA A 4 116.522 -2.152 -16.827 1.00 0.00 O ATOM 60 CB ALA A 4 116.881 -2.832 -19.521 1.00 0.00 C ATOM 0 H ALA A 4 115.665 0.035 -20.373 1.00 0.00 H new ATOM 0 HA ALA A 4 115.035 -1.787 -19.249 1.00 0.00 H new ATOM 0 HB1 ALA A 4 116.602 -3.662 -18.872 1.00 0.00 H new ATOM 0 HB2 ALA A 4 116.653 -3.088 -20.556 1.00 0.00 H new ATOM 0 HB3 ALA A 4 117.949 -2.637 -19.422 1.00 0.00 H new ATOM 66 N ALA A 5 116.347 0.032 -17.335 1.00 0.00 N ATOM 67 CA ALA A 5 116.568 0.481 -15.967 1.00 0.00 C ATOM 68 C ALA A 5 115.255 0.562 -15.196 1.00 0.00 C ATOM 69 O ALA A 5 114.243 1.026 -15.722 1.00 0.00 O ATOM 70 CB ALA A 5 117.270 1.831 -15.961 1.00 0.00 C ATOM 0 H ALA A 5 116.200 0.785 -18.007 1.00 0.00 H new ATOM 0 HA ALA A 5 117.206 -0.250 -15.470 1.00 0.00 H new ATOM 0 HB1 ALA A 5 117.429 2.154 -14.932 1.00 0.00 H new ATOM 0 HB2 ALA A 5 118.232 1.743 -16.466 1.00 0.00 H new ATOM 0 HB3 ALA A 5 116.653 2.564 -16.480 1.00 0.00 H new ATOM 76 N ARG A 6 115.278 0.110 -13.947 1.00 0.00 N ATOM 77 CA ARG A 6 114.089 0.132 -13.103 1.00 0.00 C ATOM 78 C ARG A 6 114.410 -0.366 -11.698 1.00 0.00 C ATOM 79 O ARG A 6 114.011 0.245 -10.706 1.00 0.00 O ATOM 80 CB ARG A 6 112.984 -0.727 -13.722 1.00 0.00 C ATOM 81 CG ARG A 6 111.616 -0.064 -13.701 1.00 0.00 C ATOM 82 CD ARG A 6 110.508 -1.065 -13.988 1.00 0.00 C ATOM 83 NE ARG A 6 111.035 -2.387 -14.312 1.00 0.00 N ATOM 84 CZ ARG A 6 111.550 -2.704 -15.496 1.00 0.00 C ATOM 85 NH1 ARG A 6 111.606 -1.797 -16.460 1.00 0.00 N ATOM 86 NH2 ARG A 6 112.008 -3.929 -15.715 1.00 0.00 N ATOM 0 H ARG A 6 116.108 -0.276 -13.496 1.00 0.00 H new ATOM 0 HA ARG A 6 113.742 1.163 -13.032 1.00 0.00 H new ATOM 0 HB2 ARG A 6 113.250 -0.960 -14.753 1.00 0.00 H new ATOM 0 HB3 ARG A 6 112.928 -1.674 -13.186 1.00 0.00 H new ATOM 0 HG2 ARG A 6 111.449 0.397 -12.727 1.00 0.00 H new ATOM 0 HG3 ARG A 6 111.586 0.735 -14.441 1.00 0.00 H new ATOM 0 HD2 ARG A 6 109.853 -1.139 -13.120 1.00 0.00 H new ATOM 0 HD3 ARG A 6 109.899 -0.704 -14.817 1.00 0.00 H new ATOM 0 HE ARG A 6 111.007 -3.107 -13.590 1.00 0.00 H new ATOM 0 HH11 ARG A 6 111.254 -0.854 -16.294 1.00 0.00 H new ATOM 0 HH12 ARG A 6 112.001 -2.041 -17.368 1.00 0.00 H new ATOM 0 HH21 ARG A 6 111.965 -4.629 -14.975 1.00 0.00 H new ATOM 0 HH22 ARG A 6 112.403 -4.171 -16.624 1.00 0.00 H new ATOM 100 N ARG A 7 115.133 -1.479 -11.620 1.00 0.00 N ATOM 101 CA ARG A 7 115.507 -2.058 -10.336 1.00 0.00 C ATOM 102 C ARG A 7 116.992 -1.847 -10.057 1.00 0.00 C ATOM 103 O ARG A 7 117.785 -1.651 -10.977 1.00 0.00 O ATOM 104 CB ARG A 7 115.180 -3.553 -10.314 1.00 0.00 C ATOM 105 CG ARG A 7 115.401 -4.244 -11.649 1.00 0.00 C ATOM 106 CD ARG A 7 115.922 -5.660 -11.464 1.00 0.00 C ATOM 107 NE ARG A 7 117.092 -5.702 -10.592 1.00 0.00 N ATOM 108 CZ ARG A 7 117.445 -6.770 -9.884 1.00 0.00 C ATOM 109 NH1 ARG A 7 116.719 -7.879 -9.946 1.00 0.00 N ATOM 110 NH2 ARG A 7 118.523 -6.731 -9.113 1.00 0.00 N ATOM 0 H ARG A 7 115.471 -1.997 -12.431 1.00 0.00 H new ATOM 0 HA ARG A 7 114.934 -1.555 -9.557 1.00 0.00 H new ATOM 0 HB2 ARG A 7 115.794 -4.040 -9.556 1.00 0.00 H new ATOM 0 HB3 ARG A 7 114.140 -3.685 -10.014 1.00 0.00 H new ATOM 0 HG2 ARG A 7 114.464 -4.270 -12.206 1.00 0.00 H new ATOM 0 HG3 ARG A 7 116.110 -3.669 -12.244 1.00 0.00 H new ATOM 0 HD2 ARG A 7 115.134 -6.284 -11.044 1.00 0.00 H new ATOM 0 HD3 ARG A 7 116.179 -6.082 -12.436 1.00 0.00 H new ATOM 0 HE ARG A 7 117.671 -4.865 -10.522 1.00 0.00 H new ATOM 0 HH11 ARG A 7 115.889 -7.913 -10.538 1.00 0.00 H new ATOM 0 HH12 ARG A 7 116.991 -8.698 -9.402 1.00 0.00 H new ATOM 0 HH21 ARG A 7 119.083 -5.880 -9.062 1.00 0.00 H new ATOM 0 HH22 ARG A 7 118.792 -7.552 -8.571 1.00 0.00 H new ATOM 124 N ARG A 8 117.360 -1.889 -8.781 1.00 0.00 N ATOM 125 CA ARG A 8 118.750 -1.702 -8.381 1.00 0.00 C ATOM 126 C ARG A 8 118.850 -1.359 -6.898 1.00 0.00 C ATOM 127 O ARG A 8 117.858 -0.962 -6.285 1.00 0.00 O ATOM 128 CB ARG A 8 119.399 -0.597 -9.216 1.00 0.00 C ATOM 129 CG ARG A 8 120.424 -1.112 -10.214 1.00 0.00 C ATOM 130 CD ARG A 8 121.787 -1.297 -9.567 1.00 0.00 C ATOM 131 NE ARG A 8 122.849 -0.654 -10.335 1.00 0.00 N ATOM 132 CZ ARG A 8 124.101 -0.532 -9.903 1.00 0.00 C ATOM 133 NH1 ARG A 8 124.442 -1.009 -8.713 1.00 0.00 N ATOM 134 NH2 ARG A 8 125.010 0.066 -10.659 1.00 0.00 N ATOM 0 H ARG A 8 116.716 -2.051 -8.007 1.00 0.00 H new ATOM 0 HA ARG A 8 119.280 -2.639 -8.555 1.00 0.00 H new ATOM 0 HB2 ARG A 8 118.621 -0.055 -9.754 1.00 0.00 H new ATOM 0 HB3 ARG A 8 119.881 0.116 -8.548 1.00 0.00 H new ATOM 0 HG2 ARG A 8 120.085 -2.061 -10.628 1.00 0.00 H new ATOM 0 HG3 ARG A 8 120.507 -0.413 -11.046 1.00 0.00 H new ATOM 0 HD2 ARG A 8 121.768 -0.884 -8.558 1.00 0.00 H new ATOM 0 HD3 ARG A 8 122.002 -2.361 -9.472 1.00 0.00 H new ATOM 0 HE ARG A 8 122.618 -0.277 -11.254 1.00 0.00 H new ATOM 0 HH11 ARG A 8 123.744 -1.470 -8.129 1.00 0.00 H new ATOM 0 HH12 ARG A 8 125.402 -0.915 -8.382 1.00 0.00 H new ATOM 0 HH21 ARG A 8 124.750 0.434 -11.574 1.00 0.00 H new ATOM 0 HH22 ARG A 8 125.970 0.159 -10.326 1.00 0.00 H new ATOM 148 N ALA A 9 120.058 -1.519 -6.346 1.00 0.00 N ATOM 149 CA ALA A 9 120.338 -1.236 -4.933 1.00 0.00 C ATOM 150 C ALA A 9 119.070 -0.952 -4.133 1.00 0.00 C ATOM 151 O ALA A 9 118.587 -1.812 -3.394 1.00 0.00 O ATOM 152 CB ALA A 9 121.318 -0.073 -4.814 1.00 0.00 C ATOM 0 H ALA A 9 120.871 -1.849 -6.867 1.00 0.00 H new ATOM 0 HA ALA A 9 120.788 -2.132 -4.506 1.00 0.00 H new ATOM 0 HB1 ALA A 9 121.518 0.128 -3.762 1.00 0.00 H new ATOM 0 HB2 ALA A 9 122.250 -0.329 -5.318 1.00 0.00 H new ATOM 0 HB3 ALA A 9 120.887 0.815 -5.277 1.00 0.00 H new ATOM 158 N ARG A 10 118.534 0.255 -4.288 1.00 0.00 N ATOM 159 CA ARG A 10 117.324 0.656 -3.577 1.00 0.00 C ATOM 160 C ARG A 10 116.376 -0.522 -3.403 1.00 0.00 C ATOM 161 O ARG A 10 116.274 -1.096 -2.319 1.00 0.00 O ATOM 162 CB ARG A 10 116.611 1.792 -4.318 1.00 0.00 C ATOM 163 CG ARG A 10 117.117 2.021 -5.733 1.00 0.00 C ATOM 164 CD ARG A 10 118.191 3.097 -5.773 1.00 0.00 C ATOM 165 NE ARG A 10 119.013 3.006 -6.975 1.00 0.00 N ATOM 166 CZ ARG A 10 118.617 3.428 -8.171 1.00 0.00 C ATOM 167 NH1 ARG A 10 117.414 3.965 -8.323 1.00 0.00 N ATOM 168 NH2 ARG A 10 119.424 3.311 -9.219 1.00 0.00 N ATOM 0 H ARG A 10 118.919 0.974 -4.901 1.00 0.00 H new ATOM 0 HA ARG A 10 117.623 1.010 -2.590 1.00 0.00 H new ATOM 0 HB2 ARG A 10 115.544 1.574 -4.356 1.00 0.00 H new ATOM 0 HB3 ARG A 10 116.728 2.714 -3.748 1.00 0.00 H new ATOM 0 HG2 ARG A 10 117.518 1.090 -6.132 1.00 0.00 H new ATOM 0 HG3 ARG A 10 116.286 2.311 -6.375 1.00 0.00 H new ATOM 0 HD2 ARG A 10 117.721 4.080 -5.729 1.00 0.00 H new ATOM 0 HD3 ARG A 10 118.826 3.008 -4.892 1.00 0.00 H new ATOM 0 HE ARG A 10 119.943 2.596 -6.893 1.00 0.00 H new ATOM 0 HH11 ARG A 10 116.791 4.055 -7.521 1.00 0.00 H new ATOM 0 HH12 ARG A 10 117.112 4.288 -9.242 1.00 0.00 H new ATOM 0 HH21 ARG A 10 120.349 2.897 -9.106 1.00 0.00 H new ATOM 0 HH22 ARG A 10 119.119 3.635 -10.137 1.00 0.00 H new ATOM 182 N GLU A 11 115.687 -0.881 -4.478 1.00 0.00 N ATOM 183 CA GLU A 11 114.747 -1.992 -4.444 1.00 0.00 C ATOM 184 C GLU A 11 115.466 -3.297 -4.121 1.00 0.00 C ATOM 185 O GLU A 11 114.904 -4.185 -3.484 1.00 0.00 O ATOM 186 CB GLU A 11 114.022 -2.112 -5.784 1.00 0.00 C ATOM 187 CG GLU A 11 113.823 -0.780 -6.488 1.00 0.00 C ATOM 188 CD GLU A 11 112.839 -0.870 -7.638 1.00 0.00 C ATOM 189 OE1 GLU A 11 112.066 -1.850 -7.684 1.00 0.00 O ATOM 190 OE2 GLU A 11 112.841 0.040 -8.494 1.00 0.00 O ATOM 0 H GLU A 11 115.762 -0.419 -5.384 1.00 0.00 H new ATOM 0 HA GLU A 11 114.015 -1.797 -3.660 1.00 0.00 H new ATOM 0 HB2 GLU A 11 114.588 -2.777 -6.436 1.00 0.00 H new ATOM 0 HB3 GLU A 11 113.050 -2.577 -5.621 1.00 0.00 H new ATOM 0 HG2 GLU A 11 113.469 -0.042 -5.768 1.00 0.00 H new ATOM 0 HG3 GLU A 11 114.783 -0.424 -6.863 1.00 0.00 H new ATOM 197 N CYS A 12 116.715 -3.405 -4.559 1.00 0.00 N ATOM 198 CA CYS A 12 117.505 -4.605 -4.313 1.00 0.00 C ATOM 199 C CYS A 12 117.706 -4.822 -2.820 1.00 0.00 C ATOM 200 O CYS A 12 117.751 -5.957 -2.344 1.00 0.00 O ATOM 201 CB CYS A 12 118.862 -4.497 -5.013 1.00 0.00 C ATOM 202 SG CYS A 12 119.602 -6.091 -5.436 1.00 0.00 S ATOM 0 H CYS A 12 117.201 -2.678 -5.085 1.00 0.00 H new ATOM 0 HA CYS A 12 116.963 -5.460 -4.717 1.00 0.00 H new ATOM 0 HB2 CYS A 12 118.743 -3.910 -5.924 1.00 0.00 H new ATOM 0 HB3 CYS A 12 119.549 -3.949 -4.368 1.00 0.00 H new ATOM 0 HG CYS A 12 119.493 -6.902 -4.426 1.00 0.00 H new ATOM 208 N ALA A 13 117.826 -3.723 -2.086 1.00 0.00 N ATOM 209 CA ALA A 13 118.031 -3.784 -0.648 1.00 0.00 C ATOM 210 C ALA A 13 116.859 -4.468 0.054 1.00 0.00 C ATOM 211 O ALA A 13 117.050 -5.169 1.048 1.00 0.00 O ATOM 212 CB ALA A 13 118.246 -2.381 -0.093 1.00 0.00 C ATOM 0 H ALA A 13 117.784 -2.777 -2.466 1.00 0.00 H new ATOM 0 HA ALA A 13 118.922 -4.382 -0.456 1.00 0.00 H new ATOM 0 HB1 ALA A 13 118.399 -2.436 0.985 1.00 0.00 H new ATOM 0 HB2 ALA A 13 119.123 -1.935 -0.562 1.00 0.00 H new ATOM 0 HB3 ALA A 13 117.370 -1.768 -0.305 1.00 0.00 H new ATOM 218 N VAL A 14 115.647 -4.273 -0.462 1.00 0.00 N ATOM 219 CA VAL A 14 114.467 -4.885 0.140 1.00 0.00 C ATOM 220 C VAL A 14 114.582 -6.406 0.172 1.00 0.00 C ATOM 221 O VAL A 14 114.147 -7.046 1.129 1.00 0.00 O ATOM 222 CB VAL A 14 113.170 -4.485 -0.591 1.00 0.00 C ATOM 223 CG1 VAL A 14 113.072 -2.973 -0.712 1.00 0.00 C ATOM 224 CG2 VAL A 14 113.088 -5.139 -1.961 1.00 0.00 C ATOM 0 H VAL A 14 115.458 -3.703 -1.286 1.00 0.00 H new ATOM 0 HA VAL A 14 114.417 -4.510 1.162 1.00 0.00 H new ATOM 0 HB VAL A 14 112.326 -4.841 0.000 1.00 0.00 H new ATOM 0 HG11 VAL A 14 112.150 -2.708 -1.231 1.00 0.00 H new ATOM 0 HG12 VAL A 14 113.069 -2.528 0.283 1.00 0.00 H new ATOM 0 HG13 VAL A 14 113.926 -2.597 -1.275 1.00 0.00 H new ATOM 0 HG21 VAL A 14 112.163 -4.839 -2.453 1.00 0.00 H new ATOM 0 HG22 VAL A 14 113.939 -4.825 -2.566 1.00 0.00 H new ATOM 0 HG23 VAL A 14 113.103 -6.223 -1.848 1.00 0.00 H new ATOM 234 N GLN A 15 115.193 -6.979 -0.860 1.00 0.00 N ATOM 235 CA GLN A 15 115.378 -8.420 -0.922 1.00 0.00 C ATOM 236 C GLN A 15 116.239 -8.850 0.246 1.00 0.00 C ATOM 237 O GLN A 15 115.974 -9.855 0.906 1.00 0.00 O ATOM 238 CB GLN A 15 116.036 -8.825 -2.243 1.00 0.00 C ATOM 239 CG GLN A 15 115.701 -7.897 -3.399 1.00 0.00 C ATOM 240 CD GLN A 15 115.308 -8.649 -4.656 1.00 0.00 C ATOM 241 OE1 GLN A 15 114.931 -9.819 -4.601 1.00 0.00 O ATOM 242 NE2 GLN A 15 115.395 -7.978 -5.798 1.00 0.00 N ATOM 0 H GLN A 15 115.566 -6.468 -1.660 1.00 0.00 H new ATOM 0 HA GLN A 15 114.407 -8.913 -0.868 1.00 0.00 H new ATOM 0 HB2 GLN A 15 117.117 -8.848 -2.108 1.00 0.00 H new ATOM 0 HB3 GLN A 15 115.725 -9.838 -2.499 1.00 0.00 H new ATOM 0 HG2 GLN A 15 114.885 -7.237 -3.105 1.00 0.00 H new ATOM 0 HG3 GLN A 15 116.562 -7.264 -3.613 1.00 0.00 H new ATOM 0 HE21 GLN A 15 115.713 -7.009 -5.797 1.00 0.00 H new ATOM 0 HE22 GLN A 15 115.144 -8.432 -6.676 1.00 0.00 H new ATOM 251 N ALA A 16 117.253 -8.042 0.516 1.00 0.00 N ATOM 252 CA ALA A 16 118.149 -8.285 1.625 1.00 0.00 C ATOM 253 C ALA A 16 117.408 -8.038 2.924 1.00 0.00 C ATOM 254 O ALA A 16 117.657 -8.696 3.934 1.00 0.00 O ATOM 255 CB ALA A 16 119.358 -7.388 1.507 1.00 0.00 C ATOM 0 H ALA A 16 117.473 -7.206 -0.026 1.00 0.00 H new ATOM 0 HA ALA A 16 118.493 -9.319 1.612 1.00 0.00 H new ATOM 0 HB1 ALA A 16 120.031 -7.573 2.344 1.00 0.00 H new ATOM 0 HB2 ALA A 16 119.876 -7.597 0.571 1.00 0.00 H new ATOM 0 HB3 ALA A 16 119.040 -6.345 1.521 1.00 0.00 H new ATOM 261 N LEU A 17 116.461 -7.101 2.877 1.00 0.00 N ATOM 262 CA LEU A 17 115.649 -6.797 4.039 1.00 0.00 C ATOM 263 C LEU A 17 114.889 -8.049 4.434 1.00 0.00 C ATOM 264 O LEU A 17 114.623 -8.290 5.611 1.00 0.00 O ATOM 265 CB LEU A 17 114.678 -5.655 3.738 1.00 0.00 C ATOM 266 CG LEU A 17 114.587 -4.580 4.823 1.00 0.00 C ATOM 267 CD1 LEU A 17 113.459 -3.608 4.518 1.00 0.00 C ATOM 268 CD2 LEU A 17 114.388 -5.220 6.188 1.00 0.00 C ATOM 0 H LEU A 17 116.244 -6.546 2.049 1.00 0.00 H new ATOM 0 HA LEU A 17 116.290 -6.476 4.860 1.00 0.00 H new ATOM 0 HB2 LEU A 17 114.977 -5.181 2.803 1.00 0.00 H new ATOM 0 HB3 LEU A 17 113.685 -6.075 3.580 1.00 0.00 H new ATOM 0 HG LEU A 17 115.524 -4.023 4.837 1.00 0.00 H new ATOM 0 HD11 LEU A 17 113.410 -2.851 5.300 1.00 0.00 H new ATOM 0 HD12 LEU A 17 113.644 -3.126 3.558 1.00 0.00 H new ATOM 0 HD13 LEU A 17 112.514 -4.149 4.477 1.00 0.00 H new ATOM 0 HD21 LEU A 17 114.325 -4.442 6.949 1.00 0.00 H new ATOM 0 HD22 LEU A 17 113.466 -5.801 6.186 1.00 0.00 H new ATOM 0 HD23 LEU A 17 115.230 -5.876 6.408 1.00 0.00 H new ATOM 280 N TYR A 18 114.563 -8.859 3.427 1.00 0.00 N ATOM 281 CA TYR A 18 113.857 -10.112 3.659 1.00 0.00 C ATOM 282 C TYR A 18 114.784 -11.104 4.354 1.00 0.00 C ATOM 283 O TYR A 18 114.361 -11.870 5.220 1.00 0.00 O ATOM 284 CB TYR A 18 113.357 -10.696 2.337 1.00 0.00 C ATOM 285 CG TYR A 18 112.529 -11.950 2.503 1.00 0.00 C ATOM 286 CD1 TYR A 18 111.875 -12.219 3.698 1.00 0.00 C ATOM 287 CD2 TYR A 18 112.402 -12.863 1.465 1.00 0.00 C ATOM 288 CE1 TYR A 18 111.117 -13.365 3.855 1.00 0.00 C ATOM 289 CE2 TYR A 18 111.646 -14.011 1.612 1.00 0.00 C ATOM 290 CZ TYR A 18 111.007 -14.257 2.809 1.00 0.00 C ATOM 291 OH TYR A 18 110.253 -15.398 2.960 1.00 0.00 O ATOM 0 H TYR A 18 114.777 -8.668 2.448 1.00 0.00 H new ATOM 0 HA TYR A 18 112.996 -9.918 4.298 1.00 0.00 H new ATOM 0 HB2 TYR A 18 112.762 -9.944 1.819 1.00 0.00 H new ATOM 0 HB3 TYR A 18 114.214 -10.918 1.701 1.00 0.00 H new ATOM 0 HD1 TYR A 18 111.960 -11.522 4.518 1.00 0.00 H new ATOM 0 HD2 TYR A 18 112.902 -12.673 0.527 1.00 0.00 H new ATOM 0 HE1 TYR A 18 110.614 -13.560 4.791 1.00 0.00 H new ATOM 0 HE2 TYR A 18 111.556 -14.711 0.794 1.00 0.00 H new ATOM 0 HH TYR A 18 110.278 -15.919 2.130 1.00 0.00 H new ATOM 301 N SER A 19 116.058 -11.067 3.971 1.00 0.00 N ATOM 302 CA SER A 19 117.070 -11.942 4.551 1.00 0.00 C ATOM 303 C SER A 19 117.303 -11.587 6.016 1.00 0.00 C ATOM 304 O SER A 19 117.636 -12.446 6.831 1.00 0.00 O ATOM 305 CB SER A 19 118.380 -11.832 3.770 1.00 0.00 C ATOM 306 OG SER A 19 119.121 -13.038 3.844 1.00 0.00 O ATOM 0 H SER A 19 116.415 -10.434 3.255 1.00 0.00 H new ATOM 0 HA SER A 19 116.712 -12.970 4.492 1.00 0.00 H new ATOM 0 HB2 SER A 19 118.167 -11.596 2.727 1.00 0.00 H new ATOM 0 HB3 SER A 19 118.976 -11.010 4.167 1.00 0.00 H new ATOM 0 HG SER A 19 119.953 -12.942 3.335 1.00 0.00 H new ATOM 312 N TRP A 20 117.130 -10.310 6.337 1.00 0.00 N ATOM 313 CA TRP A 20 117.320 -9.821 7.698 1.00 0.00 C ATOM 314 C TRP A 20 116.376 -10.528 8.661 1.00 0.00 C ATOM 315 O TRP A 20 116.782 -10.973 9.735 1.00 0.00 O ATOM 316 CB TRP A 20 117.056 -8.316 7.738 1.00 0.00 C ATOM 317 CG TRP A 20 117.690 -7.613 8.900 1.00 0.00 C ATOM 318 CD1 TRP A 20 118.770 -8.026 9.625 1.00 0.00 C ATOM 319 CD2 TRP A 20 117.274 -6.367 9.470 1.00 0.00 C ATOM 320 NE1 TRP A 20 119.052 -7.111 10.612 1.00 0.00 N ATOM 321 CE2 TRP A 20 118.148 -6.083 10.537 1.00 0.00 C ATOM 322 CE3 TRP A 20 116.248 -5.463 9.179 1.00 0.00 C ATOM 323 CZ2 TRP A 20 118.024 -4.931 11.312 1.00 0.00 C ATOM 324 CZ3 TRP A 20 116.127 -4.323 9.950 1.00 0.00 C ATOM 325 CH2 TRP A 20 117.010 -4.065 11.005 1.00 0.00 C ATOM 0 H TRP A 20 116.857 -9.590 5.668 1.00 0.00 H new ATOM 0 HA TRP A 20 118.346 -10.027 8.003 1.00 0.00 H new ATOM 0 HB2 TRP A 20 117.422 -7.869 6.814 1.00 0.00 H new ATOM 0 HB3 TRP A 20 115.980 -8.148 7.769 1.00 0.00 H new ATOM 0 HD1 TRP A 20 119.322 -8.937 9.449 1.00 0.00 H new ATOM 0 HE1 TRP A 20 119.811 -7.185 11.290 1.00 0.00 H new ATOM 0 HE3 TRP A 20 115.562 -5.652 8.366 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 118.704 -4.729 12.126 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 115.337 -3.618 9.735 1.00 0.00 H new ATOM 0 HH2 TRP A 20 116.889 -3.164 11.588 1.00 0.00 H new ATOM 336 N GLN A 21 115.113 -10.625 8.268 1.00 0.00 N ATOM 337 CA GLN A 21 114.099 -11.273 9.091 1.00 0.00 C ATOM 338 C GLN A 21 114.439 -12.741 9.340 1.00 0.00 C ATOM 339 O GLN A 21 114.416 -13.208 10.479 1.00 0.00 O ATOM 340 CB GLN A 21 112.732 -11.166 8.414 1.00 0.00 C ATOM 341 CG GLN A 21 111.571 -11.530 9.323 1.00 0.00 C ATOM 342 CD GLN A 21 111.317 -13.024 9.376 1.00 0.00 C ATOM 343 OE1 GLN A 21 111.841 -13.724 10.242 1.00 0.00 O ATOM 344 NE2 GLN A 21 110.510 -13.521 8.444 1.00 0.00 N ATOM 0 H GLN A 21 114.765 -10.262 7.381 1.00 0.00 H new ATOM 0 HA GLN A 21 114.071 -10.763 10.054 1.00 0.00 H new ATOM 0 HB2 GLN A 21 112.594 -10.147 8.053 1.00 0.00 H new ATOM 0 HB3 GLN A 21 112.717 -11.818 7.541 1.00 0.00 H new ATOM 0 HG2 GLN A 21 111.774 -11.164 10.329 1.00 0.00 H new ATOM 0 HG3 GLN A 21 110.670 -11.024 8.976 1.00 0.00 H new ATOM 0 HE21 GLN A 21 110.097 -12.904 7.745 1.00 0.00 H new ATOM 0 HE22 GLN A 21 110.304 -14.520 8.428 1.00 0.00 H new ATOM 353 N LEU A 22 114.744 -13.468 8.269 1.00 0.00 N ATOM 354 CA LEU A 22 115.075 -14.886 8.376 1.00 0.00 C ATOM 355 C LEU A 22 116.508 -15.097 8.859 1.00 0.00 C ATOM 356 O LEU A 22 116.753 -15.874 9.782 1.00 0.00 O ATOM 357 CB LEU A 22 114.877 -15.576 7.025 1.00 0.00 C ATOM 358 CG LEU A 22 113.567 -15.239 6.311 1.00 0.00 C ATOM 359 CD1 LEU A 22 113.745 -15.320 4.803 1.00 0.00 C ATOM 360 CD2 LEU A 22 112.456 -16.172 6.770 1.00 0.00 C ATOM 0 H LEU A 22 114.769 -13.100 7.318 1.00 0.00 H new ATOM 0 HA LEU A 22 114.404 -15.326 9.114 1.00 0.00 H new ATOM 0 HB2 LEU A 22 115.708 -15.308 6.372 1.00 0.00 H new ATOM 0 HB3 LEU A 22 114.924 -16.655 7.175 1.00 0.00 H new ATOM 0 HG LEU A 22 113.287 -14.218 6.568 1.00 0.00 H new ATOM 0 HD11 LEU A 22 112.803 -15.077 4.312 1.00 0.00 H new ATOM 0 HD12 LEU A 22 114.511 -14.612 4.489 1.00 0.00 H new ATOM 0 HD13 LEU A 22 114.049 -16.330 4.526 1.00 0.00 H new ATOM 0 HD21 LEU A 22 111.531 -15.919 6.252 1.00 0.00 H new ATOM 0 HD22 LEU A 22 112.729 -17.202 6.542 1.00 0.00 H new ATOM 0 HD23 LEU A 22 112.311 -16.064 7.845 1.00 0.00 H new ATOM 372 N SER A 23 117.452 -14.408 8.227 1.00 0.00 N ATOM 373 CA SER A 23 118.861 -14.531 8.588 1.00 0.00 C ATOM 374 C SER A 23 119.153 -13.842 9.917 1.00 0.00 C ATOM 375 O SER A 23 119.790 -14.417 10.799 1.00 0.00 O ATOM 376 CB SER A 23 119.744 -13.936 7.490 1.00 0.00 C ATOM 377 OG SER A 23 121.080 -14.396 7.604 1.00 0.00 O ATOM 0 H SER A 23 117.268 -13.759 7.462 1.00 0.00 H new ATOM 0 HA SER A 23 119.086 -15.592 8.696 1.00 0.00 H new ATOM 0 HB2 SER A 23 119.345 -14.206 6.512 1.00 0.00 H new ATOM 0 HB3 SER A 23 119.724 -12.848 7.553 1.00 0.00 H new ATOM 0 HG SER A 23 121.624 -14.003 6.890 1.00 0.00 H new ATOM 383 N GLN A 24 118.682 -12.607 10.055 1.00 0.00 N ATOM 384 CA GLN A 24 118.895 -11.842 11.279 1.00 0.00 C ATOM 385 C GLN A 24 120.349 -11.392 11.401 1.00 0.00 C ATOM 386 O GLN A 24 120.778 -10.935 12.460 1.00 0.00 O ATOM 387 CB GLN A 24 118.503 -12.677 12.500 1.00 0.00 C ATOM 388 CG GLN A 24 117.296 -12.134 13.247 1.00 0.00 C ATOM 389 CD GLN A 24 115.993 -12.749 12.772 1.00 0.00 C ATOM 390 OE1 GLN A 24 115.031 -12.040 12.477 1.00 0.00 O ATOM 391 NE2 GLN A 24 115.956 -14.074 12.698 1.00 0.00 N ATOM 0 H GLN A 24 118.151 -12.115 9.336 1.00 0.00 H new ATOM 0 HA GLN A 24 118.265 -10.954 11.234 1.00 0.00 H new ATOM 0 HB2 GLN A 24 118.292 -13.697 12.179 1.00 0.00 H new ATOM 0 HB3 GLN A 24 119.351 -12.726 13.183 1.00 0.00 H new ATOM 0 HG2 GLN A 24 117.417 -12.325 14.313 1.00 0.00 H new ATOM 0 HG3 GLN A 24 117.251 -11.052 13.120 1.00 0.00 H new ATOM 0 HE21 GLN A 24 116.778 -14.622 12.953 1.00 0.00 H new ATOM 0 HE22 GLN A 24 115.106 -14.544 12.387 1.00 0.00 H new ATOM 400 N ASN A 25 121.101 -11.520 10.312 1.00 0.00 N ATOM 401 CA ASN A 25 122.506 -11.121 10.303 1.00 0.00 C ATOM 402 C ASN A 25 122.657 -9.682 10.784 1.00 0.00 C ATOM 403 O ASN A 25 121.731 -9.112 11.359 1.00 0.00 O ATOM 404 CB ASN A 25 123.090 -11.266 8.896 1.00 0.00 C ATOM 405 CG ASN A 25 124.555 -11.654 8.917 1.00 0.00 C ATOM 406 OD1 ASN A 25 124.914 -12.740 9.373 1.00 0.00 O ATOM 407 ND2 ASN A 25 125.409 -10.768 8.421 1.00 0.00 N ATOM 0 H ASN A 25 120.763 -11.896 9.426 1.00 0.00 H new ATOM 0 HA ASN A 25 123.053 -11.775 10.982 1.00 0.00 H new ATOM 0 HB2 ASN A 25 122.525 -12.019 8.347 1.00 0.00 H new ATOM 0 HB3 ASN A 25 122.974 -10.325 8.358 1.00 0.00 H new ATOM 0 HD21 ASN A 25 126.408 -10.975 8.407 1.00 0.00 H new ATOM 0 HD22 ASN A 25 125.067 -9.880 8.053 1.00 0.00 H new ATOM 414 N ASP A 26 123.828 -9.095 10.541 1.00 0.00 N ATOM 415 CA ASP A 26 124.086 -7.719 10.951 1.00 0.00 C ATOM 416 C ASP A 26 122.847 -6.857 10.726 1.00 0.00 C ATOM 417 O ASP A 26 121.952 -6.816 11.571 1.00 0.00 O ATOM 418 CB ASP A 26 125.277 -7.146 10.180 1.00 0.00 C ATOM 419 CG ASP A 26 126.591 -7.776 10.597 1.00 0.00 C ATOM 420 OD1 ASP A 26 126.597 -8.982 10.919 1.00 0.00 O ATOM 421 OD2 ASP A 26 127.616 -7.061 10.602 1.00 0.00 O ATOM 0 H ASP A 26 124.608 -9.549 10.065 1.00 0.00 H new ATOM 0 HA ASP A 26 124.326 -7.715 12.014 1.00 0.00 H new ATOM 0 HB2 ASP A 26 125.125 -7.303 9.112 1.00 0.00 H new ATOM 0 HB3 ASP A 26 125.326 -6.069 10.340 1.00 0.00 H new ATOM 426 N ILE A 27 122.789 -6.186 9.577 1.00 0.00 N ATOM 427 CA ILE A 27 121.643 -5.346 9.242 1.00 0.00 C ATOM 428 C ILE A 27 122.013 -4.254 8.246 1.00 0.00 C ATOM 429 O ILE A 27 121.566 -4.274 7.098 1.00 0.00 O ATOM 430 CB ILE A 27 121.022 -4.690 10.493 1.00 0.00 C ATOM 431 CG1 ILE A 27 120.154 -3.497 10.090 1.00 0.00 C ATOM 432 CG2 ILE A 27 122.110 -4.254 11.464 1.00 0.00 C ATOM 433 CD1 ILE A 27 119.224 -3.790 8.934 1.00 0.00 C ATOM 0 H ILE A 27 123.520 -6.208 8.866 1.00 0.00 H new ATOM 0 HA ILE A 27 120.908 -6.011 8.788 1.00 0.00 H new ATOM 0 HB ILE A 27 120.392 -5.425 10.993 1.00 0.00 H new ATOM 0 HG12 ILE A 27 119.563 -3.181 10.950 1.00 0.00 H new ATOM 0 HG13 ILE A 27 120.801 -2.661 9.823 1.00 0.00 H new ATOM 0 HG21 ILE A 27 121.653 -3.794 12.340 1.00 0.00 H new ATOM 0 HG22 ILE A 27 122.692 -5.123 11.773 1.00 0.00 H new ATOM 0 HG23 ILE A 27 122.766 -3.533 10.976 1.00 0.00 H new ATOM 0 HD11 ILE A 27 118.639 -2.900 8.703 1.00 0.00 H new ATOM 0 HD12 ILE A 27 119.809 -4.077 8.060 1.00 0.00 H new ATOM 0 HD13 ILE A 27 118.552 -4.605 9.205 1.00 0.00 H new ATOM 445 N ALA A 28 122.826 -3.300 8.677 1.00 0.00 N ATOM 446 CA ALA A 28 123.237 -2.221 7.796 1.00 0.00 C ATOM 447 C ALA A 28 124.033 -2.776 6.625 1.00 0.00 C ATOM 448 O ALA A 28 123.719 -2.518 5.463 1.00 0.00 O ATOM 449 CB ALA A 28 124.057 -1.193 8.561 1.00 0.00 C ATOM 0 H ALA A 28 123.209 -3.252 9.621 1.00 0.00 H new ATOM 0 HA ALA A 28 122.346 -1.727 7.408 1.00 0.00 H new ATOM 0 HB1 ALA A 28 124.357 -0.391 7.886 1.00 0.00 H new ATOM 0 HB2 ALA A 28 123.457 -0.779 9.372 1.00 0.00 H new ATOM 0 HB3 ALA A 28 124.945 -1.671 8.974 1.00 0.00 H new ATOM 455 N ASP A 29 125.064 -3.545 6.947 1.00 0.00 N ATOM 456 CA ASP A 29 125.916 -4.155 5.939 1.00 0.00 C ATOM 457 C ASP A 29 125.227 -5.324 5.235 1.00 0.00 C ATOM 458 O ASP A 29 125.424 -5.534 4.040 1.00 0.00 O ATOM 459 CB ASP A 29 127.222 -4.633 6.575 1.00 0.00 C ATOM 460 CG ASP A 29 127.984 -3.507 7.247 1.00 0.00 C ATOM 461 OD1 ASP A 29 127.401 -2.415 7.417 1.00 0.00 O ATOM 462 OD2 ASP A 29 129.163 -3.717 7.602 1.00 0.00 O ATOM 0 H ASP A 29 125.331 -3.762 7.907 1.00 0.00 H new ATOM 0 HA ASP A 29 126.127 -3.394 5.188 1.00 0.00 H new ATOM 0 HB2 ASP A 29 127.003 -5.408 7.309 1.00 0.00 H new ATOM 0 HB3 ASP A 29 127.851 -5.087 5.809 1.00 0.00 H new ATOM 467 N VAL A 30 124.451 -6.109 5.987 1.00 0.00 N ATOM 468 CA VAL A 30 123.785 -7.283 5.422 1.00 0.00 C ATOM 469 C VAL A 30 122.814 -6.946 4.298 1.00 0.00 C ATOM 470 O VAL A 30 122.893 -7.526 3.216 1.00 0.00 O ATOM 471 CB VAL A 30 123.002 -8.079 6.492 1.00 0.00 C ATOM 472 CG1 VAL A 30 121.792 -7.300 6.968 1.00 0.00 C ATOM 473 CG2 VAL A 30 122.575 -9.432 5.936 1.00 0.00 C ATOM 0 H VAL A 30 124.270 -5.954 6.979 1.00 0.00 H new ATOM 0 HA VAL A 30 124.600 -7.885 5.020 1.00 0.00 H new ATOM 0 HB VAL A 30 123.660 -8.241 7.346 1.00 0.00 H new ATOM 0 HG11 VAL A 30 121.258 -7.881 7.720 1.00 0.00 H new ATOM 0 HG12 VAL A 30 122.116 -6.354 7.403 1.00 0.00 H new ATOM 0 HG13 VAL A 30 121.131 -7.104 6.124 1.00 0.00 H new ATOM 0 HG21 VAL A 30 122.025 -9.982 6.700 1.00 0.00 H new ATOM 0 HG22 VAL A 30 121.936 -9.282 5.065 1.00 0.00 H new ATOM 0 HG23 VAL A 30 123.458 -10.001 5.645 1.00 0.00 H new ATOM 483 N GLU A 31 121.888 -6.030 4.546 1.00 0.00 N ATOM 484 CA GLU A 31 120.908 -5.684 3.554 1.00 0.00 C ATOM 485 C GLU A 31 121.568 -5.262 2.249 1.00 0.00 C ATOM 486 O GLU A 31 121.296 -5.819 1.188 1.00 0.00 O ATOM 487 CB GLU A 31 120.028 -4.561 4.090 1.00 0.00 C ATOM 488 CG GLU A 31 119.213 -3.895 3.013 1.00 0.00 C ATOM 489 CD GLU A 31 117.720 -4.020 3.241 1.00 0.00 C ATOM 490 OE1 GLU A 31 117.318 -4.817 4.115 1.00 0.00 O ATOM 491 OE2 GLU A 31 116.952 -3.323 2.545 1.00 0.00 O ATOM 0 H GLU A 31 121.804 -5.521 5.426 1.00 0.00 H new ATOM 0 HA GLU A 31 120.297 -6.562 3.344 1.00 0.00 H new ATOM 0 HB2 GLU A 31 119.358 -4.962 4.851 1.00 0.00 H new ATOM 0 HB3 GLU A 31 120.655 -3.815 4.578 1.00 0.00 H new ATOM 0 HG2 GLU A 31 119.481 -2.840 2.962 1.00 0.00 H new ATOM 0 HG3 GLU A 31 119.466 -4.335 2.048 1.00 0.00 H new ATOM 498 N TYR A 32 122.437 -4.282 2.333 1.00 0.00 N ATOM 499 CA TYR A 32 123.134 -3.791 1.163 1.00 0.00 C ATOM 500 C TYR A 32 124.167 -4.795 0.659 1.00 0.00 C ATOM 501 O TYR A 32 124.539 -4.769 -0.505 1.00 0.00 O ATOM 502 CB TYR A 32 123.747 -2.428 1.450 1.00 0.00 C ATOM 503 CG TYR A 32 122.695 -1.344 1.528 1.00 0.00 C ATOM 504 CD1 TYR A 32 122.257 -0.689 0.386 1.00 0.00 C ATOM 505 CD2 TYR A 32 122.127 -0.985 2.744 1.00 0.00 C ATOM 506 CE1 TYR A 32 121.287 0.294 0.453 1.00 0.00 C ATOM 507 CE2 TYR A 32 121.160 -0.004 2.817 1.00 0.00 C ATOM 508 CZ TYR A 32 120.743 0.631 1.670 1.00 0.00 C ATOM 509 OH TYR A 32 119.777 1.608 1.742 1.00 0.00 O ATOM 0 H TYR A 32 122.680 -3.806 3.202 1.00 0.00 H new ATOM 0 HA TYR A 32 122.411 -3.668 0.357 1.00 0.00 H new ATOM 0 HB2 TYR A 32 124.298 -2.468 2.390 1.00 0.00 H new ATOM 0 HB3 TYR A 32 124.466 -2.181 0.669 1.00 0.00 H new ATOM 0 HD1 TYR A 32 122.681 -0.952 -0.572 1.00 0.00 H new ATOM 0 HD2 TYR A 32 122.448 -1.482 3.647 1.00 0.00 H new ATOM 0 HE1 TYR A 32 120.958 0.794 -0.446 1.00 0.00 H new ATOM 0 HE2 TYR A 32 120.732 0.265 3.771 1.00 0.00 H new ATOM 0 HH TYR A 32 119.927 2.270 1.035 1.00 0.00 H new ATOM 519 N GLN A 33 124.634 -5.675 1.538 1.00 0.00 N ATOM 520 CA GLN A 33 125.630 -6.677 1.159 1.00 0.00 C ATOM 521 C GLN A 33 125.058 -7.680 0.156 1.00 0.00 C ATOM 522 O GLN A 33 125.791 -8.278 -0.631 1.00 0.00 O ATOM 523 CB GLN A 33 126.140 -7.417 2.396 1.00 0.00 C ATOM 524 CG GLN A 33 127.395 -6.807 2.998 1.00 0.00 C ATOM 525 CD GLN A 33 128.664 -7.319 2.345 1.00 0.00 C ATOM 526 OE1 GLN A 33 129.132 -6.763 1.351 1.00 0.00 O ATOM 527 NE2 GLN A 33 129.227 -8.386 2.901 1.00 0.00 N ATOM 0 H GLN A 33 124.342 -5.717 2.514 1.00 0.00 H new ATOM 0 HA GLN A 33 126.460 -6.154 0.685 1.00 0.00 H new ATOM 0 HB2 GLN A 33 125.354 -7.429 3.151 1.00 0.00 H new ATOM 0 HB3 GLN A 33 126.342 -8.455 2.130 1.00 0.00 H new ATOM 0 HG2 GLN A 33 127.351 -5.723 2.898 1.00 0.00 H new ATOM 0 HG3 GLN A 33 127.426 -7.027 4.065 1.00 0.00 H new ATOM 0 HE21 GLN A 33 128.805 -8.815 3.724 1.00 0.00 H new ATOM 0 HE22 GLN A 33 130.082 -8.777 2.504 1.00 0.00 H new ATOM 536 N PHE A 34 123.748 -7.883 0.225 1.00 0.00 N ATOM 537 CA PHE A 34 123.056 -8.841 -0.636 1.00 0.00 C ATOM 538 C PHE A 34 123.272 -8.590 -2.130 1.00 0.00 C ATOM 539 O PHE A 34 123.603 -9.515 -2.871 1.00 0.00 O ATOM 540 CB PHE A 34 121.561 -8.811 -0.316 1.00 0.00 C ATOM 541 CG PHE A 34 120.697 -9.409 -1.387 1.00 0.00 C ATOM 542 CD1 PHE A 34 120.546 -8.765 -2.598 1.00 0.00 C ATOM 543 CD2 PHE A 34 120.031 -10.606 -1.178 1.00 0.00 C ATOM 544 CE1 PHE A 34 119.750 -9.301 -3.592 1.00 0.00 C ATOM 545 CE2 PHE A 34 119.232 -11.150 -2.166 1.00 0.00 C ATOM 546 CZ PHE A 34 119.091 -10.496 -3.376 1.00 0.00 C ATOM 0 H PHE A 34 123.135 -7.392 0.876 1.00 0.00 H new ATOM 0 HA PHE A 34 123.481 -9.823 -0.427 1.00 0.00 H new ATOM 0 HB2 PHE A 34 121.389 -9.347 0.617 1.00 0.00 H new ATOM 0 HB3 PHE A 34 121.255 -7.778 -0.151 1.00 0.00 H new ATOM 0 HD1 PHE A 34 121.057 -7.829 -2.771 1.00 0.00 H new ATOM 0 HD2 PHE A 34 120.137 -11.119 -0.234 1.00 0.00 H new ATOM 0 HE1 PHE A 34 119.643 -8.787 -4.536 1.00 0.00 H new ATOM 0 HE2 PHE A 34 118.719 -12.084 -1.993 1.00 0.00 H new ATOM 0 HZ PHE A 34 118.467 -10.918 -4.150 1.00 0.00 H new ATOM 556 N LEU A 35 123.053 -7.364 -2.583 1.00 0.00 N ATOM 557 CA LEU A 35 123.196 -7.052 -4.006 1.00 0.00 C ATOM 558 C LEU A 35 124.621 -7.297 -4.503 1.00 0.00 C ATOM 559 O LEU A 35 124.857 -7.380 -5.708 1.00 0.00 O ATOM 560 CB LEU A 35 122.722 -5.622 -4.335 1.00 0.00 C ATOM 561 CG LEU A 35 123.425 -4.476 -3.606 1.00 0.00 C ATOM 562 CD1 LEU A 35 122.516 -3.879 -2.541 1.00 0.00 C ATOM 563 CD2 LEU A 35 124.719 -4.952 -2.988 1.00 0.00 C ATOM 0 H LEU A 35 122.779 -6.575 -1.998 1.00 0.00 H new ATOM 0 HA LEU A 35 122.543 -7.739 -4.544 1.00 0.00 H new ATOM 0 HB2 LEU A 35 122.838 -5.464 -5.407 1.00 0.00 H new ATOM 0 HB3 LEU A 35 121.656 -5.559 -4.117 1.00 0.00 H new ATOM 0 HG LEU A 35 123.656 -3.700 -4.336 1.00 0.00 H new ATOM 0 HD11 LEU A 35 123.035 -3.065 -2.034 1.00 0.00 H new ATOM 0 HD12 LEU A 35 121.610 -3.495 -3.010 1.00 0.00 H new ATOM 0 HD13 LEU A 35 122.251 -4.648 -1.816 1.00 0.00 H new ATOM 0 HD21 LEU A 35 125.204 -4.122 -2.474 1.00 0.00 H new ATOM 0 HD22 LEU A 35 124.510 -5.748 -2.274 1.00 0.00 H new ATOM 0 HD23 LEU A 35 125.378 -5.330 -3.770 1.00 0.00 H new ATOM 575 N ALA A 36 125.568 -7.413 -3.575 1.00 0.00 N ATOM 576 CA ALA A 36 126.961 -7.646 -3.934 1.00 0.00 C ATOM 577 C ALA A 36 127.123 -8.965 -4.683 1.00 0.00 C ATOM 578 O ALA A 36 128.170 -9.229 -5.274 1.00 0.00 O ATOM 579 CB ALA A 36 127.836 -7.634 -2.689 1.00 0.00 C ATOM 0 H ALA A 36 125.395 -7.349 -2.572 1.00 0.00 H new ATOM 0 HA ALA A 36 127.278 -6.841 -4.597 1.00 0.00 H new ATOM 0 HB1 ALA A 36 128.874 -7.809 -2.972 1.00 0.00 H new ATOM 0 HB2 ALA A 36 127.753 -6.666 -2.195 1.00 0.00 H new ATOM 0 HB3 ALA A 36 127.509 -8.418 -2.007 1.00 0.00 H new ATOM 585 N GLU A 37 126.079 -9.789 -4.657 1.00 0.00 N ATOM 586 CA GLU A 37 126.108 -11.078 -5.338 1.00 0.00 C ATOM 587 C GLU A 37 126.395 -10.897 -6.825 1.00 0.00 C ATOM 588 O GLU A 37 127.426 -11.344 -7.328 1.00 0.00 O ATOM 589 CB GLU A 37 124.779 -11.809 -5.148 1.00 0.00 C ATOM 590 CG GLU A 37 124.703 -12.610 -3.859 1.00 0.00 C ATOM 591 CD GLU A 37 123.288 -13.037 -3.519 1.00 0.00 C ATOM 592 OE1 GLU A 37 122.344 -12.509 -4.143 1.00 0.00 O ATOM 593 OE2 GLU A 37 123.125 -13.899 -2.632 1.00 0.00 O ATOM 0 H GLU A 37 125.205 -9.587 -4.172 1.00 0.00 H new ATOM 0 HA GLU A 37 126.907 -11.676 -4.901 1.00 0.00 H new ATOM 0 HB2 GLU A 37 123.968 -11.081 -5.161 1.00 0.00 H new ATOM 0 HB3 GLU A 37 124.619 -12.479 -5.992 1.00 0.00 H new ATOM 0 HG2 GLU A 37 125.334 -13.494 -3.948 1.00 0.00 H new ATOM 0 HG3 GLU A 37 125.105 -12.013 -3.040 1.00 0.00 H new ATOM 600 N GLN A 38 125.478 -10.234 -7.522 1.00 0.00 N ATOM 601 CA GLN A 38 125.632 -9.990 -8.951 1.00 0.00 C ATOM 602 C GLN A 38 126.325 -8.653 -9.197 1.00 0.00 C ATOM 603 O GLN A 38 125.670 -7.619 -9.334 1.00 0.00 O ATOM 604 CB GLN A 38 124.269 -10.006 -9.645 1.00 0.00 C ATOM 605 CG GLN A 38 123.276 -10.967 -9.011 1.00 0.00 C ATOM 606 CD GLN A 38 122.063 -10.260 -8.441 1.00 0.00 C ATOM 607 OE1 GLN A 38 122.032 -9.033 -8.345 1.00 0.00 O ATOM 608 NE2 GLN A 38 121.053 -11.033 -8.058 1.00 0.00 N ATOM 0 H GLN A 38 124.620 -9.856 -7.120 1.00 0.00 H new ATOM 0 HA GLN A 38 126.250 -10.786 -9.367 1.00 0.00 H new ATOM 0 HB2 GLN A 38 123.850 -9.000 -9.628 1.00 0.00 H new ATOM 0 HB3 GLN A 38 124.406 -10.277 -10.692 1.00 0.00 H new ATOM 0 HG2 GLN A 38 122.952 -11.693 -9.757 1.00 0.00 H new ATOM 0 HG3 GLN A 38 123.773 -11.525 -8.218 1.00 0.00 H new ATOM 0 HE21 GLN A 38 121.121 -12.046 -8.155 1.00 0.00 H new ATOM 0 HE22 GLN A 38 120.210 -10.614 -7.667 1.00 0.00 H new ATOM 617 N ASP A 39 127.652 -8.681 -9.246 1.00 0.00 N ATOM 618 CA ASP A 39 128.434 -7.472 -9.471 1.00 0.00 C ATOM 619 C ASP A 39 127.888 -6.312 -8.633 1.00 0.00 C ATOM 620 O ASP A 39 127.765 -6.432 -7.414 1.00 0.00 O ATOM 621 CB ASP A 39 128.446 -7.118 -10.958 1.00 0.00 C ATOM 622 CG ASP A 39 128.798 -8.305 -11.833 1.00 0.00 C ATOM 623 OD1 ASP A 39 128.545 -9.452 -11.408 1.00 0.00 O ATOM 624 OD2 ASP A 39 129.328 -8.087 -12.943 1.00 0.00 O ATOM 0 H ASP A 39 128.209 -9.528 -9.133 1.00 0.00 H new ATOM 0 HA ASP A 39 129.461 -7.657 -9.156 1.00 0.00 H new ATOM 0 HB2 ASP A 39 127.466 -6.736 -11.246 1.00 0.00 H new ATOM 0 HB3 ASP A 39 129.164 -6.317 -11.132 1.00 0.00 H new ATOM 629 N VAL A 40 127.571 -5.185 -9.276 1.00 0.00 N ATOM 630 CA VAL A 40 127.057 -4.027 -8.560 1.00 0.00 C ATOM 631 C VAL A 40 127.914 -3.729 -7.336 1.00 0.00 C ATOM 632 O VAL A 40 127.460 -3.101 -6.381 1.00 0.00 O ATOM 633 CB VAL A 40 125.598 -4.234 -8.115 1.00 0.00 C ATOM 634 CG1 VAL A 40 124.737 -4.672 -9.289 1.00 0.00 C ATOM 635 CG2 VAL A 40 125.523 -5.246 -6.981 1.00 0.00 C ATOM 0 H VAL A 40 127.662 -5.055 -10.284 1.00 0.00 H new ATOM 0 HA VAL A 40 127.094 -3.184 -9.249 1.00 0.00 H new ATOM 0 HB VAL A 40 125.212 -3.283 -7.748 1.00 0.00 H new ATOM 0 HG11 VAL A 40 123.709 -4.813 -8.954 1.00 0.00 H new ATOM 0 HG12 VAL A 40 124.764 -3.907 -10.065 1.00 0.00 H new ATOM 0 HG13 VAL A 40 125.120 -5.610 -9.691 1.00 0.00 H new ATOM 0 HG21 VAL A 40 124.484 -5.379 -6.680 1.00 0.00 H new ATOM 0 HG22 VAL A 40 125.928 -6.200 -7.318 1.00 0.00 H new ATOM 0 HG23 VAL A 40 126.103 -4.885 -6.132 1.00 0.00 H new ATOM 645 N LYS A 41 129.162 -4.184 -7.380 1.00 0.00 N ATOM 646 CA LYS A 41 130.099 -3.971 -6.286 1.00 0.00 C ATOM 647 C LYS A 41 131.339 -3.246 -6.790 1.00 0.00 C ATOM 648 O LYS A 41 131.904 -2.402 -6.093 1.00 0.00 O ATOM 649 CB LYS A 41 130.491 -5.306 -5.652 1.00 0.00 C ATOM 650 CG LYS A 41 131.993 -5.529 -5.585 1.00 0.00 C ATOM 651 CD LYS A 41 132.328 -6.885 -4.985 1.00 0.00 C ATOM 652 CE LYS A 41 131.791 -8.021 -5.840 1.00 0.00 C ATOM 653 NZ LYS A 41 132.392 -8.022 -7.203 1.00 0.00 N ATOM 0 H LYS A 41 129.548 -4.705 -8.167 1.00 0.00 H new ATOM 0 HA LYS A 41 129.614 -3.355 -5.529 1.00 0.00 H new ATOM 0 HB2 LYS A 41 130.079 -5.355 -4.644 1.00 0.00 H new ATOM 0 HB3 LYS A 41 130.037 -6.117 -6.222 1.00 0.00 H new ATOM 0 HG2 LYS A 41 132.418 -5.458 -6.586 1.00 0.00 H new ATOM 0 HG3 LYS A 41 132.453 -4.742 -4.987 1.00 0.00 H new ATOM 0 HD2 LYS A 41 133.409 -6.983 -4.886 1.00 0.00 H new ATOM 0 HD3 LYS A 41 131.908 -6.954 -3.981 1.00 0.00 H new ATOM 0 HE2 LYS A 41 131.998 -8.973 -5.351 1.00 0.00 H new ATOM 0 HE3 LYS A 41 130.708 -7.934 -5.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 132.162 -8.915 -7.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 132.010 -7.225 -7.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 133.425 -7.926 -7.127 1.00 0.00 H new ATOM 667 N ASP A 42 131.750 -3.572 -8.011 1.00 0.00 N ATOM 668 CA ASP A 42 132.918 -2.943 -8.613 1.00 0.00 C ATOM 669 C ASP A 42 132.698 -1.441 -8.761 1.00 0.00 C ATOM 670 O ASP A 42 133.638 -0.684 -9.001 1.00 0.00 O ATOM 671 CB ASP A 42 133.214 -3.565 -9.979 1.00 0.00 C ATOM 672 CG ASP A 42 134.471 -3.000 -10.612 1.00 0.00 C ATOM 673 OD1 ASP A 42 134.480 -1.795 -10.941 1.00 0.00 O ATOM 674 OD2 ASP A 42 135.447 -3.762 -10.778 1.00 0.00 O ATOM 0 H ASP A 42 131.292 -4.267 -8.601 1.00 0.00 H new ATOM 0 HA ASP A 42 133.773 -3.109 -7.958 1.00 0.00 H new ATOM 0 HB2 ASP A 42 133.320 -4.644 -9.868 1.00 0.00 H new ATOM 0 HB3 ASP A 42 132.367 -3.394 -10.644 1.00 0.00 H new ATOM 679 N VAL A 43 131.445 -1.018 -8.610 1.00 0.00 N ATOM 680 CA VAL A 43 131.095 0.394 -8.722 1.00 0.00 C ATOM 681 C VAL A 43 131.343 1.125 -7.406 1.00 0.00 C ATOM 682 O VAL A 43 132.411 1.700 -7.197 1.00 0.00 O ATOM 683 CB VAL A 43 129.621 0.590 -9.140 1.00 0.00 C ATOM 684 CG1 VAL A 43 129.506 0.689 -10.654 1.00 0.00 C ATOM 685 CG2 VAL A 43 128.745 -0.536 -8.606 1.00 0.00 C ATOM 0 H VAL A 43 130.656 -1.633 -8.410 1.00 0.00 H new ATOM 0 HA VAL A 43 131.735 0.814 -9.498 1.00 0.00 H new ATOM 0 HB VAL A 43 129.267 1.524 -8.704 1.00 0.00 H new ATOM 0 HG11 VAL A 43 128.461 0.827 -10.931 1.00 0.00 H new ATOM 0 HG12 VAL A 43 130.091 1.538 -11.009 1.00 0.00 H new ATOM 0 HG13 VAL A 43 129.884 -0.227 -11.108 1.00 0.00 H new ATOM 0 HG21 VAL A 43 127.713 -0.372 -8.916 1.00 0.00 H new ATOM 0 HG22 VAL A 43 129.096 -1.489 -9.002 1.00 0.00 H new ATOM 0 HG23 VAL A 43 128.799 -0.554 -7.517 1.00 0.00 H new ATOM 695 N ASP A 44 130.352 1.100 -6.519 1.00 0.00 N ATOM 696 CA ASP A 44 130.469 1.760 -5.225 1.00 0.00 C ATOM 697 C ASP A 44 129.119 1.813 -4.515 1.00 0.00 C ATOM 698 O ASP A 44 128.414 2.820 -4.577 1.00 0.00 O ATOM 699 CB ASP A 44 131.021 3.176 -5.398 1.00 0.00 C ATOM 700 CG ASP A 44 132.232 3.436 -4.523 1.00 0.00 C ATOM 701 OD1 ASP A 44 132.608 2.533 -3.747 1.00 0.00 O ATOM 702 OD2 ASP A 44 132.803 4.543 -4.614 1.00 0.00 O ATOM 0 H ASP A 44 129.460 0.630 -6.674 1.00 0.00 H new ATOM 0 HA ASP A 44 131.159 1.180 -4.613 1.00 0.00 H new ATOM 0 HB2 ASP A 44 131.291 3.333 -6.442 1.00 0.00 H new ATOM 0 HB3 ASP A 44 130.241 3.899 -5.158 1.00 0.00 H new ATOM 707 N VAL A 45 128.767 0.724 -3.839 1.00 0.00 N ATOM 708 CA VAL A 45 127.503 0.650 -3.117 1.00 0.00 C ATOM 709 C VAL A 45 127.716 0.768 -1.614 1.00 0.00 C ATOM 710 O VAL A 45 126.766 0.677 -0.835 1.00 0.00 O ATOM 711 CB VAL A 45 126.763 -0.667 -3.400 1.00 0.00 C ATOM 712 CG1 VAL A 45 125.566 -0.425 -4.307 1.00 0.00 C ATOM 713 CG2 VAL A 45 127.707 -1.691 -4.009 1.00 0.00 C ATOM 0 H VAL A 45 129.339 -0.118 -3.776 1.00 0.00 H new ATOM 0 HA VAL A 45 126.900 1.486 -3.470 1.00 0.00 H new ATOM 0 HB VAL A 45 126.396 -1.065 -2.454 1.00 0.00 H new ATOM 0 HG11 VAL A 45 125.055 -1.369 -4.495 1.00 0.00 H new ATOM 0 HG12 VAL A 45 124.878 0.269 -3.824 1.00 0.00 H new ATOM 0 HG13 VAL A 45 125.905 -0.001 -5.252 1.00 0.00 H new ATOM 0 HG21 VAL A 45 127.164 -2.616 -4.202 1.00 0.00 H new ATOM 0 HG22 VAL A 45 128.109 -1.304 -4.945 1.00 0.00 H new ATOM 0 HG23 VAL A 45 128.526 -1.888 -3.317 1.00 0.00 H new ATOM 723 N LEU A 46 128.963 0.969 -1.207 1.00 0.00 N ATOM 724 CA LEU A 46 129.283 1.093 0.208 1.00 0.00 C ATOM 725 C LEU A 46 128.457 2.205 0.835 1.00 0.00 C ATOM 726 O LEU A 46 127.955 2.067 1.950 1.00 0.00 O ATOM 727 CB LEU A 46 130.775 1.376 0.395 1.00 0.00 C ATOM 728 CG LEU A 46 131.145 2.857 0.485 1.00 0.00 C ATOM 729 CD1 LEU A 46 130.867 3.394 1.880 1.00 0.00 C ATOM 730 CD2 LEU A 46 132.607 3.063 0.114 1.00 0.00 C ATOM 0 H LEU A 46 129.764 1.049 -1.833 1.00 0.00 H new ATOM 0 HA LEU A 46 129.043 0.152 0.703 1.00 0.00 H new ATOM 0 HB2 LEU A 46 131.113 0.877 1.303 1.00 0.00 H new ATOM 0 HB3 LEU A 46 131.321 0.930 -0.436 1.00 0.00 H new ATOM 0 HG LEU A 46 130.528 3.410 -0.223 1.00 0.00 H new ATOM 0 HD11 LEU A 46 131.137 4.449 1.924 1.00 0.00 H new ATOM 0 HD12 LEU A 46 129.807 3.280 2.109 1.00 0.00 H new ATOM 0 HD13 LEU A 46 131.457 2.838 2.608 1.00 0.00 H new ATOM 0 HD21 LEU A 46 132.854 4.122 0.183 1.00 0.00 H new ATOM 0 HD22 LEU A 46 133.239 2.497 0.799 1.00 0.00 H new ATOM 0 HD23 LEU A 46 132.776 2.717 -0.906 1.00 0.00 H new ATOM 742 N TYR A 47 128.303 3.300 0.101 1.00 0.00 N ATOM 743 CA TYR A 47 127.518 4.427 0.580 1.00 0.00 C ATOM 744 C TYR A 47 126.078 3.996 0.831 1.00 0.00 C ATOM 745 O TYR A 47 125.471 4.376 1.833 1.00 0.00 O ATOM 746 CB TYR A 47 127.554 5.572 -0.434 1.00 0.00 C ATOM 747 CG TYR A 47 127.614 6.943 0.199 1.00 0.00 C ATOM 748 CD1 TYR A 47 126.802 7.267 1.278 1.00 0.00 C ATOM 749 CD2 TYR A 47 128.484 7.914 -0.281 1.00 0.00 C ATOM 750 CE1 TYR A 47 126.854 8.519 1.861 1.00 0.00 C ATOM 751 CE2 TYR A 47 128.542 9.168 0.296 1.00 0.00 C ATOM 752 CZ TYR A 47 127.726 9.466 1.366 1.00 0.00 C ATOM 753 OH TYR A 47 127.781 10.714 1.943 1.00 0.00 O ATOM 0 H TYR A 47 128.710 3.430 -0.825 1.00 0.00 H new ATOM 0 HA TYR A 47 127.950 4.777 1.517 1.00 0.00 H new ATOM 0 HB2 TYR A 47 128.420 5.443 -1.083 1.00 0.00 H new ATOM 0 HB3 TYR A 47 126.669 5.512 -1.067 1.00 0.00 H new ATOM 0 HD1 TYR A 47 126.118 6.528 1.668 1.00 0.00 H new ATOM 0 HD2 TYR A 47 129.126 7.685 -1.119 1.00 0.00 H new ATOM 0 HE1 TYR A 47 126.215 8.754 2.700 1.00 0.00 H new ATOM 0 HE2 TYR A 47 129.224 9.911 -0.090 1.00 0.00 H new ATOM 0 HH TYR A 47 128.447 11.261 1.476 1.00 0.00 H new ATOM 763 N PHE A 48 125.539 3.188 -0.080 1.00 0.00 N ATOM 764 CA PHE A 48 124.173 2.699 0.051 1.00 0.00 C ATOM 765 C PHE A 48 124.019 1.895 1.336 1.00 0.00 C ATOM 766 O PHE A 48 122.957 1.897 1.957 1.00 0.00 O ATOM 767 CB PHE A 48 123.770 1.856 -1.166 1.00 0.00 C ATOM 768 CG PHE A 48 122.711 2.511 -2.005 1.00 0.00 C ATOM 769 CD1 PHE A 48 122.824 3.849 -2.350 1.00 0.00 C ATOM 770 CD2 PHE A 48 121.603 1.799 -2.446 1.00 0.00 C ATOM 771 CE1 PHE A 48 121.856 4.467 -3.115 1.00 0.00 C ATOM 772 CE2 PHE A 48 120.633 2.417 -3.213 1.00 0.00 C ATOM 773 CZ PHE A 48 120.759 3.750 -3.546 1.00 0.00 C ATOM 0 H PHE A 48 126.028 2.860 -0.913 1.00 0.00 H new ATOM 0 HA PHE A 48 123.506 3.560 0.097 1.00 0.00 H new ATOM 0 HB2 PHE A 48 124.651 1.671 -1.781 1.00 0.00 H new ATOM 0 HB3 PHE A 48 123.409 0.886 -0.826 1.00 0.00 H new ATOM 0 HD1 PHE A 48 123.681 4.415 -2.016 1.00 0.00 H new ATOM 0 HD2 PHE A 48 121.499 0.755 -2.188 1.00 0.00 H new ATOM 0 HE1 PHE A 48 121.957 5.510 -3.376 1.00 0.00 H new ATOM 0 HE2 PHE A 48 119.775 1.855 -3.552 1.00 0.00 H new ATOM 0 HZ PHE A 48 119.999 4.232 -4.144 1.00 0.00 H new ATOM 783 N ARG A 49 125.086 1.214 1.735 1.00 0.00 N ATOM 784 CA ARG A 49 125.065 0.413 2.955 1.00 0.00 C ATOM 785 C ARG A 49 124.685 1.270 4.163 1.00 0.00 C ATOM 786 O ARG A 49 123.911 0.844 5.022 1.00 0.00 O ATOM 787 CB ARG A 49 126.430 -0.238 3.184 1.00 0.00 C ATOM 788 CG ARG A 49 126.344 -1.693 3.615 1.00 0.00 C ATOM 789 CD ARG A 49 126.640 -2.639 2.460 1.00 0.00 C ATOM 790 NE ARG A 49 128.060 -2.660 2.123 1.00 0.00 N ATOM 791 CZ ARG A 49 128.530 -3.058 0.945 1.00 0.00 C ATOM 792 NH1 ARG A 49 127.696 -3.467 -0.001 1.00 0.00 N ATOM 793 NH2 ARG A 49 129.836 -3.050 0.713 1.00 0.00 N ATOM 0 H ARG A 49 125.975 1.199 1.234 1.00 0.00 H new ATOM 0 HA ARG A 49 124.313 -0.367 2.836 1.00 0.00 H new ATOM 0 HB2 ARG A 49 127.013 -0.173 2.265 1.00 0.00 H new ATOM 0 HB3 ARG A 49 126.970 0.326 3.944 1.00 0.00 H new ATOM 0 HG2 ARG A 49 127.050 -1.875 4.425 1.00 0.00 H new ATOM 0 HG3 ARG A 49 125.348 -1.898 4.008 1.00 0.00 H new ATOM 0 HD2 ARG A 49 126.314 -3.646 2.723 1.00 0.00 H new ATOM 0 HD3 ARG A 49 126.064 -2.336 1.586 1.00 0.00 H new ATOM 0 HE ARG A 49 128.728 -2.353 2.830 1.00 0.00 H new ATOM 0 HH11 ARG A 49 126.691 -3.477 0.174 1.00 0.00 H new ATOM 0 HH12 ARG A 49 128.059 -3.772 -0.904 1.00 0.00 H new ATOM 0 HH21 ARG A 49 130.481 -2.738 1.439 1.00 0.00 H new ATOM 0 HH22 ARG A 49 130.195 -3.356 -0.191 1.00 0.00 H new ATOM 807 N GLU A 50 125.235 2.477 4.217 1.00 0.00 N ATOM 808 CA GLU A 50 124.969 3.401 5.317 1.00 0.00 C ATOM 809 C GLU A 50 123.483 3.729 5.444 1.00 0.00 C ATOM 810 O GLU A 50 122.996 4.021 6.536 1.00 0.00 O ATOM 811 CB GLU A 50 125.768 4.692 5.124 1.00 0.00 C ATOM 812 CG GLU A 50 126.893 4.867 6.131 1.00 0.00 C ATOM 813 CD GLU A 50 128.056 5.664 5.574 1.00 0.00 C ATOM 814 OE1 GLU A 50 127.819 6.773 5.050 1.00 0.00 O ATOM 815 OE2 GLU A 50 129.204 5.178 5.659 1.00 0.00 O ATOM 0 H GLU A 50 125.872 2.842 3.509 1.00 0.00 H new ATOM 0 HA GLU A 50 125.280 2.908 6.238 1.00 0.00 H new ATOM 0 HB2 GLU A 50 126.187 4.703 4.118 1.00 0.00 H new ATOM 0 HB3 GLU A 50 125.091 5.543 5.197 1.00 0.00 H new ATOM 0 HG2 GLU A 50 126.506 5.368 7.019 1.00 0.00 H new ATOM 0 HG3 GLU A 50 127.248 3.886 6.447 1.00 0.00 H new ATOM 822 N LEU A 51 122.771 3.705 4.324 1.00 0.00 N ATOM 823 CA LEU A 51 121.346 4.029 4.317 1.00 0.00 C ATOM 824 C LEU A 51 120.543 3.121 5.249 1.00 0.00 C ATOM 825 O LEU A 51 119.618 3.580 5.920 1.00 0.00 O ATOM 826 CB LEU A 51 120.787 3.930 2.896 1.00 0.00 C ATOM 827 CG LEU A 51 120.780 5.243 2.111 1.00 0.00 C ATOM 828 CD1 LEU A 51 120.801 4.971 0.615 1.00 0.00 C ATOM 829 CD2 LEU A 51 119.565 6.079 2.486 1.00 0.00 C ATOM 0 H LEU A 51 123.154 3.465 3.410 1.00 0.00 H new ATOM 0 HA LEU A 51 121.248 5.051 4.682 1.00 0.00 H new ATOM 0 HB2 LEU A 51 121.372 3.196 2.342 1.00 0.00 H new ATOM 0 HB3 LEU A 51 119.767 3.550 2.949 1.00 0.00 H new ATOM 0 HG LEU A 51 121.678 5.804 2.369 1.00 0.00 H new ATOM 0 HD11 LEU A 51 120.796 5.917 0.073 1.00 0.00 H new ATOM 0 HD12 LEU A 51 121.701 4.411 0.360 1.00 0.00 H new ATOM 0 HD13 LEU A 51 119.921 4.389 0.339 1.00 0.00 H new ATOM 0 HD21 LEU A 51 119.575 7.010 1.919 1.00 0.00 H new ATOM 0 HD22 LEU A 51 118.656 5.523 2.256 1.00 0.00 H new ATOM 0 HD23 LEU A 51 119.593 6.303 3.552 1.00 0.00 H new ATOM 841 N LEU A 52 120.890 1.838 5.295 1.00 0.00 N ATOM 842 CA LEU A 52 120.172 0.896 6.154 1.00 0.00 C ATOM 843 C LEU A 52 120.342 1.266 7.620 1.00 0.00 C ATOM 844 O LEU A 52 119.448 1.035 8.435 1.00 0.00 O ATOM 845 CB LEU A 52 120.655 -0.540 5.923 1.00 0.00 C ATOM 846 CG LEU A 52 119.760 -1.432 5.047 1.00 0.00 C ATOM 847 CD1 LEU A 52 119.183 -2.572 5.870 1.00 0.00 C ATOM 848 CD2 LEU A 52 118.634 -0.643 4.387 1.00 0.00 C ATOM 0 H LEU A 52 121.653 1.429 4.756 1.00 0.00 H new ATOM 0 HA LEU A 52 119.115 0.954 5.894 1.00 0.00 H new ATOM 0 HB2 LEU A 52 121.645 -0.498 5.468 1.00 0.00 H new ATOM 0 HB3 LEU A 52 120.771 -1.021 6.894 1.00 0.00 H new ATOM 0 HG LEU A 52 120.387 -1.838 4.253 1.00 0.00 H new ATOM 0 HD11 LEU A 52 118.552 -3.195 5.236 1.00 0.00 H new ATOM 0 HD12 LEU A 52 119.995 -3.174 6.277 1.00 0.00 H new ATOM 0 HD13 LEU A 52 118.588 -2.166 6.688 1.00 0.00 H new ATOM 0 HD21 LEU A 52 118.028 -1.314 3.778 1.00 0.00 H new ATOM 0 HD22 LEU A 52 118.010 -0.187 5.156 1.00 0.00 H new ATOM 0 HD23 LEU A 52 119.058 0.137 3.755 1.00 0.00 H new ATOM 860 N ALA A 53 121.490 1.841 7.952 1.00 0.00 N ATOM 861 CA ALA A 53 121.761 2.237 9.325 1.00 0.00 C ATOM 862 C ALA A 53 120.693 3.200 9.821 1.00 0.00 C ATOM 863 O ALA A 53 120.285 3.144 10.982 1.00 0.00 O ATOM 864 CB ALA A 53 123.140 2.870 9.431 1.00 0.00 C ATOM 0 H ALA A 53 122.243 2.042 7.294 1.00 0.00 H new ATOM 0 HA ALA A 53 121.740 1.347 9.953 1.00 0.00 H new ATOM 0 HB1 ALA A 53 123.328 3.161 10.464 1.00 0.00 H new ATOM 0 HB2 ALA A 53 123.896 2.152 9.113 1.00 0.00 H new ATOM 0 HB3 ALA A 53 123.186 3.752 8.792 1.00 0.00 H new ATOM 870 N GLY A 54 120.224 4.070 8.931 1.00 0.00 N ATOM 871 CA GLY A 54 119.196 5.019 9.307 1.00 0.00 C ATOM 872 C GLY A 54 117.941 4.323 9.786 1.00 0.00 C ATOM 873 O GLY A 54 117.323 4.742 10.765 1.00 0.00 O ATOM 0 H GLY A 54 120.536 4.133 7.962 1.00 0.00 H new ATOM 0 HA2 GLY A 54 119.573 5.672 10.094 1.00 0.00 H new ATOM 0 HA3 GLY A 54 118.957 5.654 8.454 1.00 0.00 H new ATOM 877 N VAL A 55 117.582 3.240 9.109 1.00 0.00 N ATOM 878 CA VAL A 55 116.411 2.462 9.482 1.00 0.00 C ATOM 879 C VAL A 55 116.651 1.774 10.815 1.00 0.00 C ATOM 880 O VAL A 55 115.733 1.593 11.614 1.00 0.00 O ATOM 881 CB VAL A 55 116.075 1.401 8.418 1.00 0.00 C ATOM 882 CG1 VAL A 55 114.672 0.854 8.633 1.00 0.00 C ATOM 883 CG2 VAL A 55 116.218 1.982 7.018 1.00 0.00 C ATOM 0 H VAL A 55 118.086 2.881 8.298 1.00 0.00 H new ATOM 0 HA VAL A 55 115.568 3.149 9.561 1.00 0.00 H new ATOM 0 HB VAL A 55 116.782 0.577 8.519 1.00 0.00 H new ATOM 0 HG11 VAL A 55 114.453 0.106 7.872 1.00 0.00 H new ATOM 0 HG12 VAL A 55 114.607 0.397 9.620 1.00 0.00 H new ATOM 0 HG13 VAL A 55 113.950 1.667 8.561 1.00 0.00 H new ATOM 0 HG21 VAL A 55 115.976 1.217 6.280 1.00 0.00 H new ATOM 0 HG22 VAL A 55 115.537 2.825 6.903 1.00 0.00 H new ATOM 0 HG23 VAL A 55 117.243 2.320 6.867 1.00 0.00 H new ATOM 893 N ALA A 56 117.904 1.395 11.039 1.00 0.00 N ATOM 894 CA ALA A 56 118.299 0.722 12.265 1.00 0.00 C ATOM 895 C ALA A 56 118.265 1.677 13.453 1.00 0.00 C ATOM 896 O ALA A 56 118.185 1.250 14.605 1.00 0.00 O ATOM 897 CB ALA A 56 119.687 0.129 12.094 1.00 0.00 C ATOM 0 H ALA A 56 118.668 1.545 10.380 1.00 0.00 H new ATOM 0 HA ALA A 56 117.589 -0.079 12.468 1.00 0.00 H new ATOM 0 HB1 ALA A 56 119.983 -0.376 13.014 1.00 0.00 H new ATOM 0 HB2 ALA A 56 119.678 -0.588 11.273 1.00 0.00 H new ATOM 0 HB3 ALA A 56 120.398 0.925 11.872 1.00 0.00 H new ATOM 903 N THR A 57 118.324 2.974 13.164 1.00 0.00 N ATOM 904 CA THR A 57 118.298 3.990 14.209 1.00 0.00 C ATOM 905 C THR A 57 117.030 4.831 14.110 1.00 0.00 C ATOM 906 O THR A 57 116.688 5.569 15.033 1.00 0.00 O ATOM 907 CB THR A 57 119.530 4.890 14.107 1.00 0.00 C ATOM 908 OG1 THR A 57 119.870 5.124 12.752 1.00 0.00 O ATOM 909 CG2 THR A 57 120.750 4.315 14.794 1.00 0.00 C ATOM 0 H THR A 57 118.390 3.345 12.216 1.00 0.00 H new ATOM 0 HA THR A 57 118.307 3.485 15.175 1.00 0.00 H new ATOM 0 HB THR A 57 119.253 5.816 14.610 1.00 0.00 H new ATOM 0 HG1 THR A 57 120.251 4.308 12.365 1.00 0.00 H new ATOM 0 HG21 THR A 57 121.588 5.003 14.684 1.00 0.00 H new ATOM 0 HG22 THR A 57 120.537 4.170 15.853 1.00 0.00 H new ATOM 0 HG23 THR A 57 121.005 3.357 14.341 1.00 0.00 H new ATOM 917 N ASN A 58 116.337 4.709 12.983 1.00 0.00 N ATOM 918 CA ASN A 58 115.104 5.453 12.759 1.00 0.00 C ATOM 919 C ASN A 58 114.046 4.567 12.113 1.00 0.00 C ATOM 920 O ASN A 58 113.281 5.017 11.261 1.00 0.00 O ATOM 921 CB ASN A 58 115.375 6.672 11.876 1.00 0.00 C ATOM 922 CG ASN A 58 116.671 7.371 12.235 1.00 0.00 C ATOM 923 OD1 ASN A 58 116.724 8.163 13.176 1.00 0.00 O ATOM 924 ND2 ASN A 58 117.728 7.080 11.485 1.00 0.00 N ATOM 0 H ASN A 58 116.609 4.101 12.210 1.00 0.00 H new ATOM 0 HA ASN A 58 114.729 5.789 13.726 1.00 0.00 H new ATOM 0 HB2 ASN A 58 115.411 6.360 10.832 1.00 0.00 H new ATOM 0 HB3 ASN A 58 114.548 7.376 11.970 1.00 0.00 H new ATOM 0 HD21 ASN A 58 118.628 7.519 11.680 1.00 0.00 H new ATOM 0 HD22 ASN A 58 117.640 6.418 10.714 1.00 0.00 H new ATOM 931 N THR A 59 114.003 3.305 12.526 1.00 0.00 N ATOM 932 CA THR A 59 113.031 2.363 11.985 1.00 0.00 C ATOM 933 C THR A 59 111.614 2.801 12.339 1.00 0.00 C ATOM 934 O THR A 59 110.735 2.857 11.477 1.00 0.00 O ATOM 935 CB THR A 59 113.287 0.951 12.521 1.00 0.00 C ATOM 936 OG1 THR A 59 114.392 0.940 13.407 1.00 0.00 O ATOM 937 CG2 THR A 59 113.563 -0.064 11.432 1.00 0.00 C ATOM 0 H THR A 59 114.627 2.912 13.231 1.00 0.00 H new ATOM 0 HA THR A 59 113.140 2.350 10.900 1.00 0.00 H new ATOM 0 HB THR A 59 112.367 0.669 13.034 1.00 0.00 H new ATOM 0 HG1 THR A 59 115.222 0.844 12.894 1.00 0.00 H new ATOM 0 HG21 THR A 59 113.735 -1.042 11.881 1.00 0.00 H new ATOM 0 HG22 THR A 59 112.706 -0.119 10.760 1.00 0.00 H new ATOM 0 HG23 THR A 59 114.446 0.237 10.869 1.00 0.00 H new ATOM 945 N ALA A 60 111.403 3.121 13.611 1.00 0.00 N ATOM 946 CA ALA A 60 110.097 3.561 14.083 1.00 0.00 C ATOM 947 C ALA A 60 109.649 4.816 13.348 1.00 0.00 C ATOM 948 O ALA A 60 108.455 5.049 13.165 1.00 0.00 O ATOM 949 CB ALA A 60 110.133 3.809 15.583 1.00 0.00 C ATOM 0 H ALA A 60 112.121 3.084 14.334 1.00 0.00 H new ATOM 0 HA ALA A 60 109.376 2.771 13.876 1.00 0.00 H new ATOM 0 HB1 ALA A 60 109.150 4.137 15.921 1.00 0.00 H new ATOM 0 HB2 ALA A 60 110.405 2.887 16.098 1.00 0.00 H new ATOM 0 HB3 ALA A 60 110.870 4.580 15.807 1.00 0.00 H new ATOM 955 N TYR A 61 110.616 5.616 12.909 1.00 0.00 N ATOM 956 CA TYR A 61 110.316 6.840 12.181 1.00 0.00 C ATOM 957 C TYR A 61 109.551 6.489 10.921 1.00 0.00 C ATOM 958 O TYR A 61 108.524 7.094 10.610 1.00 0.00 O ATOM 959 CB TYR A 61 111.604 7.588 11.834 1.00 0.00 C ATOM 960 CG TYR A 61 111.450 8.580 10.704 1.00 0.00 C ATOM 961 CD1 TYR A 61 110.358 9.437 10.649 1.00 0.00 C ATOM 962 CD2 TYR A 61 112.401 8.663 9.696 1.00 0.00 C ATOM 963 CE1 TYR A 61 110.217 10.349 9.619 1.00 0.00 C ATOM 964 CE2 TYR A 61 112.269 9.572 8.662 1.00 0.00 C ATOM 965 CZ TYR A 61 111.176 10.413 8.629 1.00 0.00 C ATOM 966 OH TYR A 61 111.041 11.322 7.606 1.00 0.00 O ATOM 0 H TYR A 61 111.611 5.438 13.045 1.00 0.00 H new ATOM 0 HA TYR A 61 109.707 7.493 12.806 1.00 0.00 H new ATOM 0 HB2 TYR A 61 111.957 8.114 12.721 1.00 0.00 H new ATOM 0 HB3 TYR A 61 112.373 6.863 11.566 1.00 0.00 H new ATOM 0 HD1 TYR A 61 109.607 9.390 11.423 1.00 0.00 H new ATOM 0 HD2 TYR A 61 113.258 8.007 9.720 1.00 0.00 H new ATOM 0 HE1 TYR A 61 109.361 11.007 9.590 1.00 0.00 H new ATOM 0 HE2 TYR A 61 113.017 9.623 7.885 1.00 0.00 H new ATOM 0 HH TYR A 61 110.232 11.857 7.748 1.00 0.00 H new ATOM 976 N LEU A 62 110.036 5.473 10.223 1.00 0.00 N ATOM 977 CA LEU A 62 109.376 4.996 9.025 1.00 0.00 C ATOM 978 C LEU A 62 108.066 4.333 9.424 1.00 0.00 C ATOM 979 O LEU A 62 107.089 4.341 8.674 1.00 0.00 O ATOM 980 CB LEU A 62 110.266 4.001 8.274 1.00 0.00 C ATOM 981 CG LEU A 62 111.711 4.453 8.051 1.00 0.00 C ATOM 982 CD1 LEU A 62 112.493 3.385 7.301 1.00 0.00 C ATOM 983 CD2 LEU A 62 111.749 5.771 7.293 1.00 0.00 C ATOM 0 H LEU A 62 110.886 4.965 10.469 1.00 0.00 H new ATOM 0 HA LEU A 62 109.181 5.837 8.359 1.00 0.00 H new ATOM 0 HB2 LEU A 62 110.278 3.061 8.826 1.00 0.00 H new ATOM 0 HB3 LEU A 62 109.814 3.795 7.304 1.00 0.00 H new ATOM 0 HG LEU A 62 112.178 4.604 9.025 1.00 0.00 H new ATOM 0 HD11 LEU A 62 113.518 3.723 7.151 1.00 0.00 H new ATOM 0 HD12 LEU A 62 112.496 2.462 7.881 1.00 0.00 H new ATOM 0 HD13 LEU A 62 112.025 3.204 6.333 1.00 0.00 H new ATOM 0 HD21 LEU A 62 112.785 6.076 7.144 1.00 0.00 H new ATOM 0 HD22 LEU A 62 111.264 5.648 6.324 1.00 0.00 H new ATOM 0 HD23 LEU A 62 111.225 6.536 7.866 1.00 0.00 H new ATOM 995 N ASP A 63 108.063 3.763 10.629 1.00 0.00 N ATOM 996 CA ASP A 63 106.886 3.088 11.162 1.00 0.00 C ATOM 997 C ASP A 63 105.732 4.065 11.346 1.00 0.00 C ATOM 998 O ASP A 63 104.566 3.668 11.361 1.00 0.00 O ATOM 999 CB ASP A 63 107.218 2.416 12.496 1.00 0.00 C ATOM 1000 CG ASP A 63 106.109 1.500 12.974 1.00 0.00 C ATOM 1001 OD1 ASP A 63 105.485 0.829 12.124 1.00 0.00 O ATOM 1002 OD2 ASP A 63 105.863 1.452 14.198 1.00 0.00 O ATOM 0 H ASP A 63 108.868 3.757 11.255 1.00 0.00 H new ATOM 0 HA ASP A 63 106.581 2.327 10.444 1.00 0.00 H new ATOM 0 HB2 ASP A 63 108.139 1.843 12.391 1.00 0.00 H new ATOM 0 HB3 ASP A 63 107.403 3.182 13.249 1.00 0.00 H new ATOM 1007 N GLY A 64 106.063 5.341 11.499 1.00 0.00 N ATOM 1008 CA GLY A 64 105.043 6.352 11.695 1.00 0.00 C ATOM 1009 C GLY A 64 104.071 6.439 10.533 1.00 0.00 C ATOM 1010 O GLY A 64 102.891 6.730 10.730 1.00 0.00 O ATOM 0 H GLY A 64 107.020 5.694 11.491 1.00 0.00 H new ATOM 0 HA2 GLY A 64 104.491 6.132 12.609 1.00 0.00 H new ATOM 0 HA3 GLY A 64 105.521 7.321 11.836 1.00 0.00 H new ATOM 1014 N LEU A 65 104.556 6.185 9.321 1.00 0.00 N ATOM 1015 CA LEU A 65 103.698 6.240 8.142 1.00 0.00 C ATOM 1016 C LEU A 65 103.250 4.844 7.719 1.00 0.00 C ATOM 1017 O LEU A 65 102.330 4.697 6.915 1.00 0.00 O ATOM 1018 CB LEU A 65 104.403 6.939 6.978 1.00 0.00 C ATOM 1019 CG LEU A 65 105.926 6.816 6.947 1.00 0.00 C ATOM 1020 CD1 LEU A 65 106.456 7.214 5.576 1.00 0.00 C ATOM 1021 CD2 LEU A 65 106.552 7.675 8.036 1.00 0.00 C ATOM 0 H LEU A 65 105.528 5.942 9.130 1.00 0.00 H new ATOM 0 HA LEU A 65 102.815 6.820 8.411 1.00 0.00 H new ATOM 0 HB2 LEU A 65 104.007 6.538 6.045 1.00 0.00 H new ATOM 0 HB3 LEU A 65 104.144 7.997 7.005 1.00 0.00 H new ATOM 0 HG LEU A 65 106.198 5.777 7.135 1.00 0.00 H new ATOM 0 HD11 LEU A 65 107.542 7.123 5.565 1.00 0.00 H new ATOM 0 HD12 LEU A 65 106.029 6.559 4.817 1.00 0.00 H new ATOM 0 HD13 LEU A 65 106.177 8.246 5.363 1.00 0.00 H new ATOM 0 HD21 LEU A 65 107.637 7.575 7.999 1.00 0.00 H new ATOM 0 HD22 LEU A 65 106.278 8.718 7.879 1.00 0.00 H new ATOM 0 HD23 LEU A 65 106.190 7.348 9.011 1.00 0.00 H new ATOM 1033 N MET A 66 103.902 3.822 8.264 1.00 0.00 N ATOM 1034 CA MET A 66 103.562 2.444 7.938 1.00 0.00 C ATOM 1035 C MET A 66 102.417 1.947 8.815 1.00 0.00 C ATOM 1036 O MET A 66 101.546 1.205 8.359 1.00 0.00 O ATOM 1037 CB MET A 66 104.785 1.541 8.111 1.00 0.00 C ATOM 1038 CG MET A 66 104.443 0.134 8.567 1.00 0.00 C ATOM 1039 SD MET A 66 103.297 -0.700 7.452 1.00 0.00 S ATOM 1040 CE MET A 66 104.435 -1.409 6.265 1.00 0.00 C ATOM 0 H MET A 66 104.667 3.923 8.932 1.00 0.00 H new ATOM 0 HA MET A 66 103.240 2.409 6.897 1.00 0.00 H new ATOM 0 HB2 MET A 66 105.322 1.486 7.164 1.00 0.00 H new ATOM 0 HB3 MET A 66 105.461 1.994 8.836 1.00 0.00 H new ATOM 0 HG2 MET A 66 105.359 -0.451 8.644 1.00 0.00 H new ATOM 0 HG3 MET A 66 104.007 0.176 9.565 1.00 0.00 H new ATOM 0 HE1 MET A 66 103.887 -2.045 5.571 1.00 0.00 H new ATOM 0 HE2 MET A 66 104.929 -0.610 5.712 1.00 0.00 H new ATOM 0 HE3 MET A 66 105.183 -2.004 6.789 1.00 0.00 H new ATOM 1050 N LYS A 67 102.424 2.365 10.076 1.00 0.00 N ATOM 1051 CA LYS A 67 101.387 1.970 11.022 1.00 0.00 C ATOM 1052 C LYS A 67 100.007 1.987 10.370 1.00 0.00 C ATOM 1053 O LYS A 67 99.308 0.973 10.352 1.00 0.00 O ATOM 1054 CB LYS A 67 101.399 2.899 12.237 1.00 0.00 C ATOM 1055 CG LYS A 67 100.220 2.691 13.173 1.00 0.00 C ATOM 1056 CD LYS A 67 100.665 2.620 14.625 1.00 0.00 C ATOM 1057 CE LYS A 67 100.839 4.007 15.222 1.00 0.00 C ATOM 1058 NZ LYS A 67 102.022 4.080 16.126 1.00 0.00 N ATOM 0 H LYS A 67 103.138 2.979 10.467 1.00 0.00 H new ATOM 0 HA LYS A 67 101.599 0.951 11.345 1.00 0.00 H new ATOM 0 HB2 LYS A 67 102.324 2.746 12.792 1.00 0.00 H new ATOM 0 HB3 LYS A 67 101.401 3.933 11.893 1.00 0.00 H new ATOM 0 HG2 LYS A 67 99.508 3.507 13.049 1.00 0.00 H new ATOM 0 HG3 LYS A 67 99.700 1.771 12.906 1.00 0.00 H new ATOM 0 HD2 LYS A 67 99.930 2.062 15.205 1.00 0.00 H new ATOM 0 HD3 LYS A 67 101.605 2.073 14.692 1.00 0.00 H new ATOM 0 HE2 LYS A 67 100.950 4.736 14.419 1.00 0.00 H new ATOM 0 HE3 LYS A 67 99.941 4.278 15.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 102.105 5.042 16.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 101.905 3.403 16.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 102.883 3.846 15.591 1.00 0.00 H new ATOM 1072 N PRO A 68 99.593 3.144 9.827 1.00 0.00 N ATOM 1073 CA PRO A 68 98.302 3.300 9.179 1.00 0.00 C ATOM 1074 C PRO A 68 97.799 2.008 8.541 1.00 0.00 C ATOM 1075 O PRO A 68 96.621 1.671 8.648 1.00 0.00 O ATOM 1076 CB PRO A 68 98.596 4.354 8.115 1.00 0.00 C ATOM 1077 CG PRO A 68 99.726 5.175 8.660 1.00 0.00 C ATOM 1078 CD PRO A 68 100.350 4.401 9.801 1.00 0.00 C ATOM 0 HA PRO A 68 97.514 3.576 9.880 1.00 0.00 H new ATOM 0 HB2 PRO A 68 98.871 3.889 7.168 1.00 0.00 H new ATOM 0 HB3 PRO A 68 97.719 4.973 7.924 1.00 0.00 H new ATOM 0 HG2 PRO A 68 100.465 5.372 7.883 1.00 0.00 H new ATOM 0 HG3 PRO A 68 99.363 6.142 9.008 1.00 0.00 H new ATOM 0 HD2 PRO A 68 101.412 4.225 9.631 1.00 0.00 H new ATOM 0 HD3 PRO A 68 100.263 4.940 10.745 1.00 0.00 H new ATOM 1086 N TYR A 69 98.698 1.286 7.880 1.00 0.00 N ATOM 1087 CA TYR A 69 98.335 0.031 7.231 1.00 0.00 C ATOM 1088 C TYR A 69 99.126 -1.135 7.813 1.00 0.00 C ATOM 1089 O TYR A 69 100.088 -1.609 7.211 1.00 0.00 O ATOM 1090 CB TYR A 69 98.574 0.122 5.725 1.00 0.00 C ATOM 1091 CG TYR A 69 100.008 0.411 5.366 1.00 0.00 C ATOM 1092 CD1 TYR A 69 100.509 1.702 5.431 1.00 0.00 C ATOM 1093 CD2 TYR A 69 100.862 -0.608 4.970 1.00 0.00 C ATOM 1094 CE1 TYR A 69 101.822 1.972 5.108 1.00 0.00 C ATOM 1095 CE2 TYR A 69 102.179 -0.347 4.647 1.00 0.00 C ATOM 1096 CZ TYR A 69 102.654 0.945 4.717 1.00 0.00 C ATOM 1097 OH TYR A 69 103.966 1.210 4.396 1.00 0.00 O ATOM 0 H TYR A 69 99.679 1.547 7.780 1.00 0.00 H new ATOM 0 HA TYR A 69 97.275 -0.147 7.414 1.00 0.00 H new ATOM 0 HB2 TYR A 69 98.272 -0.816 5.259 1.00 0.00 H new ATOM 0 HB3 TYR A 69 97.938 0.904 5.310 1.00 0.00 H new ATOM 0 HD1 TYR A 69 99.861 2.509 5.739 1.00 0.00 H new ATOM 0 HD2 TYR A 69 100.491 -1.621 4.913 1.00 0.00 H new ATOM 0 HE1 TYR A 69 102.197 2.983 5.161 1.00 0.00 H new ATOM 0 HE2 TYR A 69 102.833 -1.150 4.341 1.00 0.00 H new ATOM 0 HH TYR A 69 104.035 1.410 3.439 1.00 0.00 H new ATOM 1107 N LEU A 70 98.711 -1.595 8.990 1.00 0.00 N ATOM 1108 CA LEU A 70 99.379 -2.708 9.654 1.00 0.00 C ATOM 1109 C LEU A 70 98.547 -3.983 9.545 1.00 0.00 C ATOM 1110 O LEU A 70 99.091 -5.086 9.480 1.00 0.00 O ATOM 1111 CB LEU A 70 99.631 -2.374 11.125 1.00 0.00 C ATOM 1112 CG LEU A 70 100.712 -1.320 11.376 1.00 0.00 C ATOM 1113 CD1 LEU A 70 101.622 -1.750 12.516 1.00 0.00 C ATOM 1114 CD2 LEU A 70 101.519 -1.073 10.111 1.00 0.00 C ATOM 0 H LEU A 70 97.916 -1.214 9.503 1.00 0.00 H new ATOM 0 HA LEU A 70 100.335 -2.875 9.158 1.00 0.00 H new ATOM 0 HB2 LEU A 70 98.697 -2.027 11.568 1.00 0.00 H new ATOM 0 HB3 LEU A 70 99.910 -3.289 11.647 1.00 0.00 H new ATOM 0 HG LEU A 70 100.225 -0.387 11.660 1.00 0.00 H new ATOM 0 HD11 LEU A 70 102.384 -0.988 12.680 1.00 0.00 H new ATOM 0 HD12 LEU A 70 101.033 -1.875 13.424 1.00 0.00 H new ATOM 0 HD13 LEU A 70 102.102 -2.695 12.262 1.00 0.00 H new ATOM 0 HD21 LEU A 70 102.283 -0.321 10.308 1.00 0.00 H new ATOM 0 HD22 LEU A 70 101.996 -2.001 9.797 1.00 0.00 H new ATOM 0 HD23 LEU A 70 100.857 -0.720 9.320 1.00 0.00 H new ATOM 1126 N SER A 71 97.228 -3.823 9.525 1.00 0.00 N ATOM 1127 CA SER A 71 96.322 -4.961 9.422 1.00 0.00 C ATOM 1128 C SER A 71 96.276 -5.740 10.733 1.00 0.00 C ATOM 1129 O SER A 71 95.217 -5.881 11.346 1.00 0.00 O ATOM 1130 CB SER A 71 96.757 -5.884 8.283 1.00 0.00 C ATOM 1131 OG SER A 71 95.780 -5.925 7.258 1.00 0.00 O ATOM 0 H SER A 71 96.763 -2.917 9.579 1.00 0.00 H new ATOM 0 HA SER A 71 95.323 -4.580 9.211 1.00 0.00 H new ATOM 0 HB2 SER A 71 97.705 -5.538 7.872 1.00 0.00 H new ATOM 0 HB3 SER A 71 96.925 -6.889 8.670 1.00 0.00 H new ATOM 0 HG SER A 71 96.083 -6.520 6.541 1.00 0.00 H new ATOM 1137 N ARG A 72 97.430 -6.243 11.157 1.00 0.00 N ATOM 1138 CA ARG A 72 97.521 -7.008 12.396 1.00 0.00 C ATOM 1139 C ARG A 72 98.958 -7.044 12.907 1.00 0.00 C ATOM 1140 O ARG A 72 99.230 -6.682 14.052 1.00 0.00 O ATOM 1141 CB ARG A 72 97.009 -8.432 12.179 1.00 0.00 C ATOM 1142 CG ARG A 72 96.701 -8.753 10.725 1.00 0.00 C ATOM 1143 CD ARG A 72 96.843 -10.239 10.440 1.00 0.00 C ATOM 1144 NE ARG A 72 95.548 -10.907 10.359 1.00 0.00 N ATOM 1145 CZ ARG A 72 94.842 -11.278 11.422 1.00 0.00 C ATOM 1146 NH1 ARG A 72 95.308 -11.048 12.642 1.00 0.00 N ATOM 1147 NH2 ARG A 72 93.672 -11.881 11.267 1.00 0.00 N ATOM 0 H ARG A 72 98.315 -6.135 10.662 1.00 0.00 H new ATOM 0 HA ARG A 72 96.900 -6.517 13.145 1.00 0.00 H new ATOM 0 HB2 ARG A 72 97.754 -9.137 12.548 1.00 0.00 H new ATOM 0 HB3 ARG A 72 96.108 -8.580 12.774 1.00 0.00 H new ATOM 0 HG2 ARG A 72 95.687 -8.431 10.487 1.00 0.00 H new ATOM 0 HG3 ARG A 72 97.374 -8.191 10.077 1.00 0.00 H new ATOM 0 HD2 ARG A 72 97.382 -10.378 9.503 1.00 0.00 H new ATOM 0 HD3 ARG A 72 97.442 -10.703 11.224 1.00 0.00 H new ATOM 0 HE ARG A 72 95.163 -11.100 9.434 1.00 0.00 H new ATOM 0 HH11 ARG A 72 96.209 -10.586 12.765 1.00 0.00 H new ATOM 0 HH12 ARG A 72 94.765 -11.333 13.457 1.00 0.00 H new ATOM 0 HH21 ARG A 72 93.311 -12.061 10.330 1.00 0.00 H new ATOM 0 HH22 ARG A 72 93.132 -12.165 12.085 1.00 0.00 H new ATOM 1161 N LEU A 73 99.874 -7.482 12.049 1.00 0.00 N ATOM 1162 CA LEU A 73 101.284 -7.563 12.412 1.00 0.00 C ATOM 1163 C LEU A 73 102.171 -7.242 11.214 1.00 0.00 C ATOM 1164 O LEU A 73 101.805 -7.502 10.069 1.00 0.00 O ATOM 1165 CB LEU A 73 101.616 -8.957 12.949 1.00 0.00 C ATOM 1166 CG LEU A 73 100.915 -9.331 14.255 1.00 0.00 C ATOM 1167 CD1 LEU A 73 99.672 -10.162 13.976 1.00 0.00 C ATOM 1168 CD2 LEU A 73 101.867 -10.084 15.173 1.00 0.00 C ATOM 0 H LEU A 73 99.665 -7.786 11.098 1.00 0.00 H new ATOM 0 HA LEU A 73 101.476 -6.827 13.193 1.00 0.00 H new ATOM 0 HB2 LEU A 73 101.354 -9.694 12.190 1.00 0.00 H new ATOM 0 HB3 LEU A 73 102.693 -9.024 13.100 1.00 0.00 H new ATOM 0 HG LEU A 73 100.607 -8.413 14.756 1.00 0.00 H new ATOM 0 HD11 LEU A 73 99.187 -10.418 14.918 1.00 0.00 H new ATOM 0 HD12 LEU A 73 98.982 -9.588 13.357 1.00 0.00 H new ATOM 0 HD13 LEU A 73 99.955 -11.076 13.453 1.00 0.00 H new ATOM 0 HD21 LEU A 73 101.352 -10.343 16.098 1.00 0.00 H new ATOM 0 HD22 LEU A 73 102.205 -10.995 14.679 1.00 0.00 H new ATOM 0 HD23 LEU A 73 102.727 -9.454 15.400 1.00 0.00 H new ATOM 1180 N LEU A 74 103.340 -6.673 11.488 1.00 0.00 N ATOM 1181 CA LEU A 74 104.282 -6.315 10.433 1.00 0.00 C ATOM 1182 C LEU A 74 104.876 -7.561 9.787 1.00 0.00 C ATOM 1183 O LEU A 74 104.953 -7.661 8.562 1.00 0.00 O ATOM 1184 CB LEU A 74 105.399 -5.435 10.997 1.00 0.00 C ATOM 1185 CG LEU A 74 104.932 -4.309 11.921 1.00 0.00 C ATOM 1186 CD1 LEU A 74 105.918 -4.113 13.063 1.00 0.00 C ATOM 1187 CD2 LEU A 74 104.757 -3.017 11.139 1.00 0.00 C ATOM 0 H LEU A 74 103.658 -6.450 12.431 1.00 0.00 H new ATOM 0 HA LEU A 74 103.740 -5.757 9.669 1.00 0.00 H new ATOM 0 HB2 LEU A 74 106.098 -6.068 11.545 1.00 0.00 H new ATOM 0 HB3 LEU A 74 105.950 -4.997 10.165 1.00 0.00 H new ATOM 0 HG LEU A 74 103.967 -4.588 12.344 1.00 0.00 H new ATOM 0 HD11 LEU A 74 105.570 -3.308 13.710 1.00 0.00 H new ATOM 0 HD12 LEU A 74 105.995 -5.035 13.640 1.00 0.00 H new ATOM 0 HD13 LEU A 74 106.897 -3.855 12.658 1.00 0.00 H new ATOM 0 HD21 LEU A 74 104.424 -2.227 11.812 1.00 0.00 H new ATOM 0 HD22 LEU A 74 105.708 -2.733 10.688 1.00 0.00 H new ATOM 0 HD23 LEU A 74 104.013 -3.164 10.356 1.00 0.00 H new ATOM 1199 N GLU A 75 105.297 -8.509 10.617 1.00 0.00 N ATOM 1200 CA GLU A 75 105.886 -9.750 10.126 1.00 0.00 C ATOM 1201 C GLU A 75 104.878 -10.541 9.299 1.00 0.00 C ATOM 1202 O GLU A 75 105.204 -11.053 8.229 1.00 0.00 O ATOM 1203 CB GLU A 75 106.382 -10.601 11.297 1.00 0.00 C ATOM 1204 CG GLU A 75 107.754 -11.214 11.064 1.00 0.00 C ATOM 1205 CD GLU A 75 108.734 -10.888 12.173 1.00 0.00 C ATOM 1206 OE1 GLU A 75 108.313 -10.863 13.350 1.00 0.00 O ATOM 1207 OE2 GLU A 75 109.923 -10.657 11.866 1.00 0.00 O ATOM 0 H GLU A 75 105.241 -8.442 11.633 1.00 0.00 H new ATOM 0 HA GLU A 75 106.731 -9.494 9.487 1.00 0.00 H new ATOM 0 HB2 GLU A 75 106.416 -9.984 12.195 1.00 0.00 H new ATOM 0 HB3 GLU A 75 105.664 -11.399 11.486 1.00 0.00 H new ATOM 0 HG2 GLU A 75 107.655 -12.296 10.979 1.00 0.00 H new ATOM 0 HG3 GLU A 75 108.152 -10.855 10.115 1.00 0.00 H new ATOM 1214 N GLU A 76 103.652 -10.636 9.803 1.00 0.00 N ATOM 1215 CA GLU A 76 102.596 -11.366 9.111 1.00 0.00 C ATOM 1216 C GLU A 76 102.490 -10.921 7.655 1.00 0.00 C ATOM 1217 O GLU A 76 102.606 -11.734 6.737 1.00 0.00 O ATOM 1218 CB GLU A 76 101.255 -11.157 9.818 1.00 0.00 C ATOM 1219 CG GLU A 76 100.985 -12.170 10.919 1.00 0.00 C ATOM 1220 CD GLU A 76 100.030 -13.264 10.482 1.00 0.00 C ATOM 1221 OE1 GLU A 76 99.712 -13.328 9.276 1.00 0.00 O ATOM 1222 OE2 GLU A 76 99.600 -14.056 11.346 1.00 0.00 O ATOM 0 H GLU A 76 103.365 -10.217 10.688 1.00 0.00 H new ATOM 0 HA GLU A 76 102.849 -12.426 9.131 1.00 0.00 H new ATOM 0 HB2 GLU A 76 101.231 -10.154 10.244 1.00 0.00 H new ATOM 0 HB3 GLU A 76 100.453 -11.210 9.082 1.00 0.00 H new ATOM 0 HG2 GLU A 76 101.927 -12.619 11.234 1.00 0.00 H new ATOM 0 HG3 GLU A 76 100.571 -11.657 11.787 1.00 0.00 H new ATOM 1229 N LEU A 77 102.270 -9.626 7.451 1.00 0.00 N ATOM 1230 CA LEU A 77 102.149 -9.074 6.107 1.00 0.00 C ATOM 1231 C LEU A 77 103.314 -9.518 5.228 1.00 0.00 C ATOM 1232 O LEU A 77 104.348 -9.964 5.728 1.00 0.00 O ATOM 1233 CB LEU A 77 102.093 -7.547 6.166 1.00 0.00 C ATOM 1234 CG LEU A 77 101.449 -6.875 4.952 1.00 0.00 C ATOM 1235 CD1 LEU A 77 100.211 -6.095 5.367 1.00 0.00 C ATOM 1236 CD2 LEU A 77 102.449 -5.960 4.259 1.00 0.00 C ATOM 0 H LEU A 77 102.172 -8.940 8.199 1.00 0.00 H new ATOM 0 HA LEU A 77 101.224 -9.449 5.668 1.00 0.00 H new ATOM 0 HB2 LEU A 77 101.542 -7.253 7.059 1.00 0.00 H new ATOM 0 HB3 LEU A 77 103.108 -7.165 6.277 1.00 0.00 H new ATOM 0 HG LEU A 77 101.146 -7.651 4.249 1.00 0.00 H new ATOM 0 HD11 LEU A 77 99.767 -5.624 4.490 1.00 0.00 H new ATOM 0 HD12 LEU A 77 99.488 -6.774 5.820 1.00 0.00 H new ATOM 0 HD13 LEU A 77 100.490 -5.327 6.089 1.00 0.00 H new ATOM 0 HD21 LEU A 77 101.975 -5.490 3.397 1.00 0.00 H new ATOM 0 HD22 LEU A 77 102.781 -5.190 4.956 1.00 0.00 H new ATOM 0 HD23 LEU A 77 103.307 -6.544 3.927 1.00 0.00 H new ATOM 1248 N GLY A 78 103.140 -9.395 3.916 1.00 0.00 N ATOM 1249 CA GLY A 78 104.186 -9.787 2.989 1.00 0.00 C ATOM 1250 C GLY A 78 105.573 -9.478 3.516 1.00 0.00 C ATOM 1251 O GLY A 78 105.920 -8.316 3.724 1.00 0.00 O ATOM 0 H GLY A 78 102.294 -9.031 3.478 1.00 0.00 H new ATOM 0 HA2 GLY A 78 104.107 -10.855 2.787 1.00 0.00 H new ATOM 0 HA3 GLY A 78 104.038 -9.272 2.040 1.00 0.00 H new ATOM 1255 N GLN A 79 106.368 -10.522 3.734 1.00 0.00 N ATOM 1256 CA GLN A 79 107.724 -10.357 4.243 1.00 0.00 C ATOM 1257 C GLN A 79 108.491 -9.314 3.436 1.00 0.00 C ATOM 1258 O GLN A 79 108.762 -8.216 3.924 1.00 0.00 O ATOM 1259 CB GLN A 79 108.466 -11.693 4.210 1.00 0.00 C ATOM 1260 CG GLN A 79 108.141 -12.597 5.388 1.00 0.00 C ATOM 1261 CD GLN A 79 108.184 -11.863 6.714 1.00 0.00 C ATOM 1262 OE1 GLN A 79 107.279 -11.995 7.539 1.00 0.00 O ATOM 1263 NE2 GLN A 79 109.238 -11.084 6.927 1.00 0.00 N ATOM 0 H GLN A 79 106.096 -11.490 3.566 1.00 0.00 H new ATOM 0 HA GLN A 79 107.658 -10.009 5.274 1.00 0.00 H new ATOM 0 HB2 GLN A 79 108.220 -12.213 3.284 1.00 0.00 H new ATOM 0 HB3 GLN A 79 109.539 -11.503 4.193 1.00 0.00 H new ATOM 0 HG2 GLN A 79 107.150 -13.029 5.248 1.00 0.00 H new ATOM 0 HG3 GLN A 79 108.849 -13.425 5.412 1.00 0.00 H new ATOM 0 HE21 GLN A 79 109.965 -11.004 6.216 1.00 0.00 H new ATOM 0 HE22 GLN A 79 109.321 -10.566 7.802 1.00 0.00 H new ATOM 1272 N VAL A 80 108.843 -9.662 2.202 1.00 0.00 N ATOM 1273 CA VAL A 80 109.584 -8.749 1.338 1.00 0.00 C ATOM 1274 C VAL A 80 108.799 -7.471 1.076 1.00 0.00 C ATOM 1275 O VAL A 80 109.314 -6.367 1.253 1.00 0.00 O ATOM 1276 CB VAL A 80 109.921 -9.396 -0.022 1.00 0.00 C ATOM 1277 CG1 VAL A 80 111.272 -10.091 0.030 1.00 0.00 C ATOM 1278 CG2 VAL A 80 108.827 -10.366 -0.445 1.00 0.00 C ATOM 0 H VAL A 80 108.628 -10.565 1.779 1.00 0.00 H new ATOM 0 HA VAL A 80 110.507 -8.513 1.867 1.00 0.00 H new ATOM 0 HB VAL A 80 109.978 -8.605 -0.769 1.00 0.00 H new ATOM 0 HG11 VAL A 80 111.488 -10.540 -0.940 1.00 0.00 H new ATOM 0 HG12 VAL A 80 112.046 -9.364 0.274 1.00 0.00 H new ATOM 0 HG13 VAL A 80 111.252 -10.869 0.793 1.00 0.00 H new ATOM 0 HG21 VAL A 80 109.086 -10.810 -1.406 1.00 0.00 H new ATOM 0 HG22 VAL A 80 108.729 -11.153 0.303 1.00 0.00 H new ATOM 0 HG23 VAL A 80 107.882 -9.831 -0.535 1.00 0.00 H new ATOM 1288 N GLU A 81 107.548 -7.626 0.656 1.00 0.00 N ATOM 1289 CA GLU A 81 106.701 -6.481 0.359 1.00 0.00 C ATOM 1290 C GLU A 81 106.633 -5.537 1.548 1.00 0.00 C ATOM 1291 O GLU A 81 106.847 -4.333 1.406 1.00 0.00 O ATOM 1292 CB GLU A 81 105.293 -6.947 -0.018 1.00 0.00 C ATOM 1293 CG GLU A 81 104.770 -6.327 -1.302 1.00 0.00 C ATOM 1294 CD GLU A 81 103.545 -7.041 -1.838 1.00 0.00 C ATOM 1295 OE1 GLU A 81 103.708 -8.098 -2.484 1.00 0.00 O ATOM 1296 OE2 GLU A 81 102.422 -6.544 -1.611 1.00 0.00 O ATOM 0 H GLU A 81 107.101 -8.532 0.514 1.00 0.00 H new ATOM 0 HA GLU A 81 107.137 -5.945 -0.484 1.00 0.00 H new ATOM 0 HB2 GLU A 81 105.294 -8.032 -0.123 1.00 0.00 H new ATOM 0 HB3 GLU A 81 104.610 -6.706 0.796 1.00 0.00 H new ATOM 0 HG2 GLU A 81 104.526 -5.280 -1.122 1.00 0.00 H new ATOM 0 HG3 GLU A 81 105.556 -6.346 -2.057 1.00 0.00 H new ATOM 1303 N LYS A 82 106.359 -6.084 2.724 1.00 0.00 N ATOM 1304 CA LYS A 82 106.284 -5.271 3.928 1.00 0.00 C ATOM 1305 C LYS A 82 107.591 -4.520 4.119 1.00 0.00 C ATOM 1306 O LYS A 82 107.598 -3.339 4.469 1.00 0.00 O ATOM 1307 CB LYS A 82 105.995 -6.143 5.151 1.00 0.00 C ATOM 1308 CG LYS A 82 105.954 -5.365 6.457 1.00 0.00 C ATOM 1309 CD LYS A 82 107.349 -5.149 7.023 1.00 0.00 C ATOM 1310 CE LYS A 82 107.535 -3.723 7.516 1.00 0.00 C ATOM 1311 NZ LYS A 82 106.532 -3.359 8.555 1.00 0.00 N ATOM 0 H LYS A 82 106.186 -7.079 2.869 1.00 0.00 H new ATOM 0 HA LYS A 82 105.469 -4.555 3.818 1.00 0.00 H new ATOM 0 HB2 LYS A 82 105.040 -6.649 5.009 1.00 0.00 H new ATOM 0 HB3 LYS A 82 106.758 -6.918 5.223 1.00 0.00 H new ATOM 0 HG2 LYS A 82 105.474 -4.400 6.292 1.00 0.00 H new ATOM 0 HG3 LYS A 82 105.345 -5.904 7.183 1.00 0.00 H new ATOM 0 HD2 LYS A 82 107.521 -5.845 7.844 1.00 0.00 H new ATOM 0 HD3 LYS A 82 108.092 -5.370 6.257 1.00 0.00 H new ATOM 0 HE2 LYS A 82 108.539 -3.608 7.925 1.00 0.00 H new ATOM 0 HE3 LYS A 82 107.453 -3.035 6.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 106.361 -2.333 8.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 105.641 -3.863 8.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 106.892 -3.626 9.494 1.00 0.00 H new ATOM 1325 N ALA A 83 108.698 -5.207 3.862 1.00 0.00 N ATOM 1326 CA ALA A 83 110.010 -4.597 3.979 1.00 0.00 C ATOM 1327 C ALA A 83 110.225 -3.602 2.849 1.00 0.00 C ATOM 1328 O ALA A 83 110.847 -2.554 3.030 1.00 0.00 O ATOM 1329 CB ALA A 83 111.095 -5.663 3.965 1.00 0.00 C ATOM 0 H ALA A 83 108.710 -6.185 3.572 1.00 0.00 H new ATOM 0 HA ALA A 83 110.066 -4.065 4.929 1.00 0.00 H new ATOM 0 HB1 ALA A 83 112.072 -5.189 4.054 1.00 0.00 H new ATOM 0 HB2 ALA A 83 110.946 -6.345 4.802 1.00 0.00 H new ATOM 0 HB3 ALA A 83 111.046 -6.220 3.029 1.00 0.00 H new ATOM 1335 N VAL A 84 109.695 -3.945 1.678 1.00 0.00 N ATOM 1336 CA VAL A 84 109.824 -3.103 0.499 1.00 0.00 C ATOM 1337 C VAL A 84 109.261 -1.716 0.752 1.00 0.00 C ATOM 1338 O VAL A 84 109.888 -0.709 0.426 1.00 0.00 O ATOM 1339 CB VAL A 84 109.098 -3.728 -0.704 1.00 0.00 C ATOM 1340 CG1 VAL A 84 107.923 -2.860 -1.132 1.00 0.00 C ATOM 1341 CG2 VAL A 84 110.067 -3.944 -1.855 1.00 0.00 C ATOM 0 H VAL A 84 109.170 -4.806 1.523 1.00 0.00 H new ATOM 0 HA VAL A 84 110.888 -3.021 0.276 1.00 0.00 H new ATOM 0 HB VAL A 84 108.705 -4.700 -0.406 1.00 0.00 H new ATOM 0 HG11 VAL A 84 107.423 -3.320 -1.984 1.00 0.00 H new ATOM 0 HG12 VAL A 84 107.219 -2.767 -0.305 1.00 0.00 H new ATOM 0 HG13 VAL A 84 108.285 -1.871 -1.414 1.00 0.00 H new ATOM 0 HG21 VAL A 84 109.537 -4.387 -2.698 1.00 0.00 H new ATOM 0 HG22 VAL A 84 110.493 -2.987 -2.156 1.00 0.00 H new ATOM 0 HG23 VAL A 84 110.866 -4.613 -1.537 1.00 0.00 H new ATOM 1351 N LEU A 85 108.076 -1.671 1.339 1.00 0.00 N ATOM 1352 CA LEU A 85 107.432 -0.407 1.642 1.00 0.00 C ATOM 1353 C LEU A 85 108.220 0.361 2.693 1.00 0.00 C ATOM 1354 O LEU A 85 108.253 1.592 2.680 1.00 0.00 O ATOM 1355 CB LEU A 85 106.002 -0.642 2.135 1.00 0.00 C ATOM 1356 CG LEU A 85 105.122 -1.479 1.206 1.00 0.00 C ATOM 1357 CD1 LEU A 85 104.067 -2.228 2.006 1.00 0.00 C ATOM 1358 CD2 LEU A 85 104.470 -0.596 0.153 1.00 0.00 C ATOM 0 H LEU A 85 107.542 -2.495 1.614 1.00 0.00 H new ATOM 0 HA LEU A 85 107.401 0.185 0.727 1.00 0.00 H new ATOM 0 HB2 LEU A 85 106.046 -1.133 3.107 1.00 0.00 H new ATOM 0 HB3 LEU A 85 105.524 0.326 2.288 1.00 0.00 H new ATOM 0 HG LEU A 85 105.751 -2.210 0.698 1.00 0.00 H new ATOM 0 HD11 LEU A 85 103.449 -2.819 1.330 1.00 0.00 H new ATOM 0 HD12 LEU A 85 104.555 -2.889 2.723 1.00 0.00 H new ATOM 0 HD13 LEU A 85 103.440 -1.514 2.540 1.00 0.00 H new ATOM 0 HD21 LEU A 85 103.847 -1.208 -0.500 1.00 0.00 H new ATOM 0 HD22 LEU A 85 103.853 0.158 0.642 1.00 0.00 H new ATOM 0 HD23 LEU A 85 105.242 -0.104 -0.439 1.00 0.00 H new ATOM 1370 N ARG A 86 108.865 -0.367 3.603 1.00 0.00 N ATOM 1371 CA ARG A 86 109.636 0.264 4.664 1.00 0.00 C ATOM 1372 C ARG A 86 110.706 1.170 4.078 1.00 0.00 C ATOM 1373 O ARG A 86 110.846 2.323 4.485 1.00 0.00 O ATOM 1374 CB ARG A 86 110.282 -0.797 5.557 1.00 0.00 C ATOM 1375 CG ARG A 86 109.934 -0.649 7.029 1.00 0.00 C ATOM 1376 CD ARG A 86 110.778 -1.569 7.895 1.00 0.00 C ATOM 1377 NE ARG A 86 110.203 -1.750 9.225 1.00 0.00 N ATOM 1378 CZ ARG A 86 110.848 -2.327 10.233 1.00 0.00 C ATOM 1379 NH1 ARG A 86 112.084 -2.775 10.062 1.00 0.00 N ATOM 1380 NH2 ARG A 86 110.258 -2.455 11.414 1.00 0.00 N ATOM 0 H ARG A 86 108.867 -1.387 3.624 1.00 0.00 H new ATOM 0 HA ARG A 86 108.958 0.867 5.267 1.00 0.00 H new ATOM 0 HB2 ARG A 86 109.971 -1.785 5.216 1.00 0.00 H new ATOM 0 HB3 ARG A 86 111.365 -0.746 5.442 1.00 0.00 H new ATOM 0 HG2 ARG A 86 110.087 0.385 7.338 1.00 0.00 H new ATOM 0 HG3 ARG A 86 108.878 -0.874 7.179 1.00 0.00 H new ATOM 0 HD2 ARG A 86 110.874 -2.539 7.407 1.00 0.00 H new ATOM 0 HD3 ARG A 86 111.783 -1.158 7.988 1.00 0.00 H new ATOM 0 HE ARG A 86 109.254 -1.415 9.389 1.00 0.00 H new ATOM 0 HH11 ARG A 86 112.541 -2.677 9.155 1.00 0.00 H new ATOM 0 HH12 ARG A 86 112.578 -3.218 10.837 1.00 0.00 H new ATOM 0 HH21 ARG A 86 109.308 -2.110 11.549 1.00 0.00 H new ATOM 0 HH22 ARG A 86 110.755 -2.898 12.187 1.00 0.00 H new ATOM 1394 N ILE A 87 111.444 0.658 3.106 1.00 0.00 N ATOM 1395 CA ILE A 87 112.478 1.446 2.464 1.00 0.00 C ATOM 1396 C ILE A 87 111.856 2.606 1.698 1.00 0.00 C ATOM 1397 O ILE A 87 112.420 3.701 1.644 1.00 0.00 O ATOM 1398 CB ILE A 87 113.330 0.596 1.499 1.00 0.00 C ATOM 1399 CG1 ILE A 87 112.453 -0.045 0.422 1.00 0.00 C ATOM 1400 CG2 ILE A 87 114.093 -0.472 2.270 1.00 0.00 C ATOM 1401 CD1 ILE A 87 113.142 -0.174 -0.919 1.00 0.00 C ATOM 0 H ILE A 87 111.346 -0.292 2.748 1.00 0.00 H new ATOM 0 HA ILE A 87 113.130 1.827 3.250 1.00 0.00 H new ATOM 0 HB ILE A 87 114.048 1.251 1.007 1.00 0.00 H new ATOM 0 HG12 ILE A 87 112.142 -1.034 0.759 1.00 0.00 H new ATOM 0 HG13 ILE A 87 111.547 0.549 0.301 1.00 0.00 H new ATOM 0 HG21 ILE A 87 114.690 -1.065 1.577 1.00 0.00 H new ATOM 0 HG22 ILE A 87 114.749 0.004 2.999 1.00 0.00 H new ATOM 0 HG23 ILE A 87 113.387 -1.121 2.787 1.00 0.00 H new ATOM 0 HD11 ILE A 87 112.462 -0.636 -1.634 1.00 0.00 H new ATOM 0 HD12 ILE A 87 113.428 0.815 -1.277 1.00 0.00 H new ATOM 0 HD13 ILE A 87 114.033 -0.793 -0.812 1.00 0.00 H new ATOM 1413 N ALA A 88 110.678 2.367 1.128 1.00 0.00 N ATOM 1414 CA ALA A 88 109.977 3.397 0.377 1.00 0.00 C ATOM 1415 C ALA A 88 109.609 4.551 1.289 1.00 0.00 C ATOM 1416 O ALA A 88 109.534 5.702 0.860 1.00 0.00 O ATOM 1417 CB ALA A 88 108.735 2.821 -0.284 1.00 0.00 C ATOM 0 H ALA A 88 110.192 1.471 1.173 1.00 0.00 H new ATOM 0 HA ALA A 88 110.639 3.770 -0.405 1.00 0.00 H new ATOM 0 HB1 ALA A 88 108.223 3.605 -0.842 1.00 0.00 H new ATOM 0 HB2 ALA A 88 109.023 2.021 -0.965 1.00 0.00 H new ATOM 0 HB3 ALA A 88 108.067 2.424 0.480 1.00 0.00 H new ATOM 1423 N LEU A 89 109.394 4.232 2.556 1.00 0.00 N ATOM 1424 CA LEU A 89 109.038 5.235 3.540 1.00 0.00 C ATOM 1425 C LEU A 89 110.145 6.270 3.662 1.00 0.00 C ATOM 1426 O LEU A 89 109.884 7.473 3.705 1.00 0.00 O ATOM 1427 CB LEU A 89 108.784 4.568 4.892 1.00 0.00 C ATOM 1428 CG LEU A 89 107.633 3.560 4.908 1.00 0.00 C ATOM 1429 CD1 LEU A 89 107.176 3.293 6.332 1.00 0.00 C ATOM 1430 CD2 LEU A 89 106.473 4.059 4.058 1.00 0.00 C ATOM 0 H LEU A 89 109.461 3.283 2.925 1.00 0.00 H new ATOM 0 HA LEU A 89 108.127 5.740 3.218 1.00 0.00 H new ATOM 0 HB2 LEU A 89 109.696 4.061 5.207 1.00 0.00 H new ATOM 0 HB3 LEU A 89 108.579 5.343 5.630 1.00 0.00 H new ATOM 0 HG LEU A 89 107.992 2.623 4.482 1.00 0.00 H new ATOM 0 HD11 LEU A 89 106.357 2.574 6.322 1.00 0.00 H new ATOM 0 HD12 LEU A 89 108.007 2.889 6.911 1.00 0.00 H new ATOM 0 HD13 LEU A 89 106.836 4.224 6.786 1.00 0.00 H new ATOM 0 HD21 LEU A 89 105.664 3.329 4.082 1.00 0.00 H new ATOM 0 HD22 LEU A 89 106.115 5.010 4.453 1.00 0.00 H new ATOM 0 HD23 LEU A 89 106.808 4.196 3.030 1.00 0.00 H new ATOM 1442 N TYR A 90 111.387 5.803 3.691 1.00 0.00 N ATOM 1443 CA TYR A 90 112.520 6.706 3.791 1.00 0.00 C ATOM 1444 C TYR A 90 112.655 7.520 2.514 1.00 0.00 C ATOM 1445 O TYR A 90 113.140 8.651 2.530 1.00 0.00 O ATOM 1446 CB TYR A 90 113.811 5.937 4.072 1.00 0.00 C ATOM 1447 CG TYR A 90 114.697 6.601 5.105 1.00 0.00 C ATOM 1448 CD1 TYR A 90 114.492 7.924 5.487 1.00 0.00 C ATOM 1449 CD2 TYR A 90 115.741 5.903 5.700 1.00 0.00 C ATOM 1450 CE1 TYR A 90 115.302 8.528 6.428 1.00 0.00 C ATOM 1451 CE2 TYR A 90 116.555 6.502 6.644 1.00 0.00 C ATOM 1452 CZ TYR A 90 116.331 7.814 7.003 1.00 0.00 C ATOM 1453 OH TYR A 90 117.140 8.413 7.942 1.00 0.00 O ATOM 0 H TYR A 90 111.631 4.814 3.647 1.00 0.00 H new ATOM 0 HA TYR A 90 112.344 7.385 4.626 1.00 0.00 H new ATOM 0 HB2 TYR A 90 113.559 4.933 4.412 1.00 0.00 H new ATOM 0 HB3 TYR A 90 114.369 5.828 3.142 1.00 0.00 H new ATOM 0 HD1 TYR A 90 113.686 8.487 5.040 1.00 0.00 H new ATOM 0 HD2 TYR A 90 115.920 4.875 5.420 1.00 0.00 H new ATOM 0 HE1 TYR A 90 115.130 9.556 6.712 1.00 0.00 H new ATOM 0 HE2 TYR A 90 117.362 5.945 7.097 1.00 0.00 H new ATOM 0 HH TYR A 90 117.815 7.772 8.249 1.00 0.00 H new ATOM 1463 N GLU A 91 112.216 6.934 1.405 1.00 0.00 N ATOM 1464 CA GLU A 91 112.280 7.601 0.115 1.00 0.00 C ATOM 1465 C GLU A 91 111.607 8.966 0.181 1.00 0.00 C ATOM 1466 O GLU A 91 112.042 9.913 -0.469 1.00 0.00 O ATOM 1467 CB GLU A 91 111.614 6.742 -0.962 1.00 0.00 C ATOM 1468 CG GLU A 91 110.441 7.426 -1.646 1.00 0.00 C ATOM 1469 CD GLU A 91 110.880 8.516 -2.604 1.00 0.00 C ATOM 1470 OE1 GLU A 91 112.051 8.488 -3.039 1.00 0.00 O ATOM 1471 OE2 GLU A 91 110.054 9.398 -2.919 1.00 0.00 O ATOM 0 H GLU A 91 111.812 5.998 1.376 1.00 0.00 H new ATOM 0 HA GLU A 91 113.329 7.742 -0.144 1.00 0.00 H new ATOM 0 HB2 GLU A 91 112.357 6.476 -1.714 1.00 0.00 H new ATOM 0 HB3 GLU A 91 111.269 5.812 -0.511 1.00 0.00 H new ATOM 0 HG2 GLU A 91 109.858 6.682 -2.190 1.00 0.00 H new ATOM 0 HG3 GLU A 91 109.784 7.855 -0.890 1.00 0.00 H new ATOM 1478 N LEU A 92 110.541 9.058 0.970 1.00 0.00 N ATOM 1479 CA LEU A 92 109.809 10.311 1.114 1.00 0.00 C ATOM 1480 C LEU A 92 110.629 11.345 1.881 1.00 0.00 C ATOM 1481 O LEU A 92 110.437 12.549 1.716 1.00 0.00 O ATOM 1482 CB LEU A 92 108.478 10.066 1.828 1.00 0.00 C ATOM 1483 CG LEU A 92 107.657 8.897 1.280 1.00 0.00 C ATOM 1484 CD1 LEU A 92 107.022 8.112 2.417 1.00 0.00 C ATOM 1485 CD2 LEU A 92 106.593 9.401 0.318 1.00 0.00 C ATOM 0 H LEU A 92 110.166 8.283 1.517 1.00 0.00 H new ATOM 0 HA LEU A 92 109.615 10.703 0.116 1.00 0.00 H new ATOM 0 HB2 LEU A 92 108.677 9.887 2.885 1.00 0.00 H new ATOM 0 HB3 LEU A 92 107.877 10.973 1.766 1.00 0.00 H new ATOM 0 HG LEU A 92 108.326 8.230 0.735 1.00 0.00 H new ATOM 0 HD11 LEU A 92 106.442 7.285 2.008 1.00 0.00 H new ATOM 0 HD12 LEU A 92 107.803 7.721 3.069 1.00 0.00 H new ATOM 0 HD13 LEU A 92 106.366 8.767 2.989 1.00 0.00 H new ATOM 0 HD21 LEU A 92 106.018 8.557 -0.063 1.00 0.00 H new ATOM 0 HD22 LEU A 92 105.927 10.088 0.840 1.00 0.00 H new ATOM 0 HD23 LEU A 92 107.070 9.919 -0.513 1.00 0.00 H new ATOM 1497 N SER A 93 111.533 10.866 2.731 1.00 0.00 N ATOM 1498 CA SER A 93 112.370 11.749 3.535 1.00 0.00 C ATOM 1499 C SER A 93 113.478 12.386 2.701 1.00 0.00 C ATOM 1500 O SER A 93 113.709 13.592 2.779 1.00 0.00 O ATOM 1501 CB SER A 93 112.983 10.975 4.703 1.00 0.00 C ATOM 1502 OG SER A 93 114.220 10.392 4.335 1.00 0.00 O ATOM 0 H SER A 93 111.704 9.872 2.880 1.00 0.00 H new ATOM 0 HA SER A 93 111.734 12.547 3.919 1.00 0.00 H new ATOM 0 HB2 SER A 93 113.131 11.645 5.550 1.00 0.00 H new ATOM 0 HB3 SER A 93 112.293 10.197 5.029 1.00 0.00 H new ATOM 0 HG SER A 93 114.542 9.821 5.064 1.00 0.00 H new ATOM 1508 N LYS A 94 114.167 11.568 1.914 1.00 0.00 N ATOM 1509 CA LYS A 94 115.258 12.055 1.080 1.00 0.00 C ATOM 1510 C LYS A 94 114.854 12.099 -0.391 1.00 0.00 C ATOM 1511 O LYS A 94 115.177 13.050 -1.102 1.00 0.00 O ATOM 1512 CB LYS A 94 116.493 11.170 1.260 1.00 0.00 C ATOM 1513 CG LYS A 94 116.625 10.593 2.662 1.00 0.00 C ATOM 1514 CD LYS A 94 116.560 11.682 3.722 1.00 0.00 C ATOM 1515 CE LYS A 94 116.825 11.122 5.111 1.00 0.00 C ATOM 1516 NZ LYS A 94 117.759 9.963 5.075 1.00 0.00 N ATOM 0 H LYS A 94 113.990 10.567 1.836 1.00 0.00 H new ATOM 0 HA LYS A 94 115.495 13.071 1.395 1.00 0.00 H new ATOM 0 HB2 LYS A 94 116.452 10.352 0.541 1.00 0.00 H new ATOM 0 HB3 LYS A 94 117.385 11.753 1.030 1.00 0.00 H new ATOM 0 HG2 LYS A 94 115.829 9.868 2.835 1.00 0.00 H new ATOM 0 HG3 LYS A 94 117.570 10.056 2.748 1.00 0.00 H new ATOM 0 HD2 LYS A 94 117.292 12.457 3.495 1.00 0.00 H new ATOM 0 HD3 LYS A 94 115.578 12.155 3.700 1.00 0.00 H new ATOM 0 HE2 LYS A 94 117.243 11.905 5.744 1.00 0.00 H new ATOM 0 HE3 LYS A 94 115.883 10.814 5.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 118.086 9.750 6.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 117.268 9.133 4.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 118.577 10.195 4.475 1.00 0.00 H new ATOM 1530 N ARG A 95 114.149 11.063 -0.837 1.00 0.00 N ATOM 1531 CA ARG A 95 113.696 10.972 -2.224 1.00 0.00 C ATOM 1532 C ARG A 95 114.687 11.635 -3.177 1.00 0.00 C ATOM 1533 O ARG A 95 115.605 10.987 -3.680 1.00 0.00 O ATOM 1534 CB ARG A 95 112.306 11.600 -2.386 1.00 0.00 C ATOM 1535 CG ARG A 95 111.832 12.399 -1.178 1.00 0.00 C ATOM 1536 CD ARG A 95 112.214 13.866 -1.290 1.00 0.00 C ATOM 1537 NE ARG A 95 111.635 14.662 -0.213 1.00 0.00 N ATOM 1538 CZ ARG A 95 112.044 15.887 0.099 1.00 0.00 C ATOM 1539 NH1 ARG A 95 113.032 16.453 -0.579 1.00 0.00 N ATOM 1540 NH2 ARG A 95 111.463 16.549 1.091 1.00 0.00 N ATOM 0 H ARG A 95 113.877 10.270 -0.255 1.00 0.00 H new ATOM 0 HA ARG A 95 113.634 9.914 -2.479 1.00 0.00 H new ATOM 0 HB2 ARG A 95 112.315 12.254 -3.258 1.00 0.00 H new ATOM 0 HB3 ARG A 95 111.584 10.809 -2.589 1.00 0.00 H new ATOM 0 HG2 ARG A 95 110.750 12.311 -1.085 1.00 0.00 H new ATOM 0 HG3 ARG A 95 112.265 11.978 -0.271 1.00 0.00 H new ATOM 0 HD2 ARG A 95 113.300 13.961 -1.269 1.00 0.00 H new ATOM 0 HD3 ARG A 95 111.879 14.256 -2.251 1.00 0.00 H new ATOM 0 HE ARG A 95 110.874 14.255 0.331 1.00 0.00 H new ATOM 0 HH11 ARG A 95 113.481 15.948 -1.343 1.00 0.00 H new ATOM 0 HH12 ARG A 95 113.343 17.394 -0.337 1.00 0.00 H new ATOM 0 HH21 ARG A 95 110.702 16.118 1.615 1.00 0.00 H new ATOM 0 HH22 ARG A 95 111.778 17.489 1.330 1.00 0.00 H new ATOM 1554 N SER A 96 114.498 12.930 -3.422 1.00 0.00 N ATOM 1555 CA SER A 96 115.377 13.677 -4.316 1.00 0.00 C ATOM 1556 C SER A 96 114.684 14.932 -4.836 1.00 0.00 C ATOM 1557 O SER A 96 114.631 15.168 -6.044 1.00 0.00 O ATOM 1558 CB SER A 96 115.812 12.797 -5.490 1.00 0.00 C ATOM 1559 OG SER A 96 117.127 12.305 -5.301 1.00 0.00 O ATOM 0 H SER A 96 113.744 13.483 -3.014 1.00 0.00 H new ATOM 0 HA SER A 96 116.259 13.978 -3.750 1.00 0.00 H new ATOM 0 HB2 SER A 96 115.120 11.962 -5.598 1.00 0.00 H new ATOM 0 HB3 SER A 96 115.765 13.371 -6.415 1.00 0.00 H new ATOM 0 HG SER A 96 117.114 11.583 -4.638 1.00 0.00 H new ATOM 1565 N ASP A 97 114.154 15.733 -3.919 1.00 0.00 N ATOM 1566 CA ASP A 97 113.464 16.964 -4.285 1.00 0.00 C ATOM 1567 C ASP A 97 112.008 16.684 -4.649 1.00 0.00 C ATOM 1568 O ASP A 97 111.205 17.607 -4.789 1.00 0.00 O ATOM 1569 CB ASP A 97 114.173 17.643 -5.458 1.00 0.00 C ATOM 1570 CG ASP A 97 113.836 19.116 -5.564 1.00 0.00 C ATOM 1571 OD1 ASP A 97 113.933 19.823 -4.538 1.00 0.00 O ATOM 1572 OD2 ASP A 97 113.474 19.565 -6.672 1.00 0.00 O ATOM 0 H ASP A 97 114.189 15.552 -2.916 1.00 0.00 H new ATOM 0 HA ASP A 97 113.483 17.631 -3.423 1.00 0.00 H new ATOM 0 HB2 ASP A 97 115.251 17.527 -5.343 1.00 0.00 H new ATOM 0 HB3 ASP A 97 113.895 17.142 -6.386 1.00 0.00 H new ATOM 1577 N VAL A 98 111.676 15.407 -4.801 1.00 0.00 N ATOM 1578 CA VAL A 98 110.319 15.004 -5.148 1.00 0.00 C ATOM 1579 C VAL A 98 109.380 15.153 -3.954 1.00 0.00 C ATOM 1580 O VAL A 98 109.786 14.971 -2.806 1.00 0.00 O ATOM 1581 CB VAL A 98 110.274 13.545 -5.638 1.00 0.00 C ATOM 1582 CG1 VAL A 98 109.272 12.739 -4.827 1.00 0.00 C ATOM 1583 CG2 VAL A 98 109.940 13.488 -7.121 1.00 0.00 C ATOM 0 H VAL A 98 112.330 14.632 -4.689 1.00 0.00 H new ATOM 0 HA VAL A 98 109.990 15.661 -5.953 1.00 0.00 H new ATOM 0 HB VAL A 98 111.260 13.104 -5.495 1.00 0.00 H new ATOM 0 HG11 VAL A 98 109.255 11.711 -5.188 1.00 0.00 H new ATOM 0 HG12 VAL A 98 109.562 12.750 -3.776 1.00 0.00 H new ATOM 0 HG13 VAL A 98 108.280 13.178 -4.934 1.00 0.00 H new ATOM 0 HG21 VAL A 98 109.913 12.449 -7.448 1.00 0.00 H new ATOM 0 HG22 VAL A 98 108.967 13.948 -7.293 1.00 0.00 H new ATOM 0 HG23 VAL A 98 110.701 14.027 -7.686 1.00 0.00 H new ATOM 1593 N PRO A 99 108.107 15.482 -4.215 1.00 0.00 N ATOM 1594 CA PRO A 99 107.102 15.654 -3.162 1.00 0.00 C ATOM 1595 C PRO A 99 106.895 14.376 -2.355 1.00 0.00 C ATOM 1596 O PRO A 99 107.538 14.172 -1.326 1.00 0.00 O ATOM 1597 CB PRO A 99 105.824 16.020 -3.929 1.00 0.00 C ATOM 1598 CG PRO A 99 106.069 15.572 -5.330 1.00 0.00 C ATOM 1599 CD PRO A 99 107.547 15.710 -5.555 1.00 0.00 C ATOM 0 HA PRO A 99 107.400 16.410 -2.435 1.00 0.00 H new ATOM 0 HB2 PRO A 99 104.953 15.523 -3.503 1.00 0.00 H new ATOM 0 HB3 PRO A 99 105.632 17.092 -3.886 1.00 0.00 H new ATOM 0 HG2 PRO A 99 105.747 14.540 -5.472 1.00 0.00 H new ATOM 0 HG3 PRO A 99 105.508 16.181 -6.038 1.00 0.00 H new ATOM 0 HD2 PRO A 99 107.916 14.980 -6.276 1.00 0.00 H new ATOM 0 HD3 PRO A 99 107.807 16.697 -5.939 1.00 0.00 H new ATOM 1607 N TYR A 100 106.003 13.514 -2.831 1.00 0.00 N ATOM 1608 CA TYR A 100 105.723 12.254 -2.154 1.00 0.00 C ATOM 1609 C TYR A 100 104.754 11.405 -2.968 1.00 0.00 C ATOM 1610 O TYR A 100 104.862 10.180 -3.001 1.00 0.00 O ATOM 1611 CB TYR A 100 105.158 12.510 -0.752 1.00 0.00 C ATOM 1612 CG TYR A 100 103.721 12.989 -0.737 1.00 0.00 C ATOM 1613 CD1 TYR A 100 102.690 12.178 -1.197 1.00 0.00 C ATOM 1614 CD2 TYR A 100 103.395 14.252 -0.257 1.00 0.00 C ATOM 1615 CE1 TYR A 100 101.381 12.610 -1.180 1.00 0.00 C ATOM 1616 CE2 TYR A 100 102.085 14.691 -0.238 1.00 0.00 C ATOM 1617 CZ TYR A 100 101.082 13.867 -0.700 1.00 0.00 C ATOM 1618 OH TYR A 100 99.777 14.301 -0.684 1.00 0.00 O ATOM 0 H TYR A 100 105.462 13.665 -3.682 1.00 0.00 H new ATOM 0 HA TYR A 100 106.661 11.707 -2.057 1.00 0.00 H new ATOM 0 HB2 TYR A 100 105.228 11.590 -0.171 1.00 0.00 H new ATOM 0 HB3 TYR A 100 105.781 13.251 -0.252 1.00 0.00 H new ATOM 0 HD1 TYR A 100 102.918 11.192 -1.574 1.00 0.00 H new ATOM 0 HD2 TYR A 100 104.178 14.901 0.107 1.00 0.00 H new ATOM 0 HE1 TYR A 100 100.593 11.966 -1.541 1.00 0.00 H new ATOM 0 HE2 TYR A 100 101.848 15.676 0.137 1.00 0.00 H new ATOM 0 HH TYR A 100 99.738 15.208 -0.314 1.00 0.00 H new ATOM 1628 N LYS A 101 103.807 12.066 -3.628 1.00 0.00 N ATOM 1629 CA LYS A 101 102.819 11.370 -4.443 1.00 0.00 C ATOM 1630 C LYS A 101 103.499 10.546 -5.530 1.00 0.00 C ATOM 1631 O LYS A 101 103.058 9.444 -5.855 1.00 0.00 O ATOM 1632 CB LYS A 101 101.851 12.371 -5.075 1.00 0.00 C ATOM 1633 CG LYS A 101 100.495 12.420 -4.392 1.00 0.00 C ATOM 1634 CD LYS A 101 99.368 12.130 -5.371 1.00 0.00 C ATOM 1635 CE LYS A 101 98.150 11.558 -4.664 1.00 0.00 C ATOM 1636 NZ LYS A 101 97.902 10.139 -5.043 1.00 0.00 N ATOM 0 H LYS A 101 103.704 13.081 -3.614 1.00 0.00 H new ATOM 0 HA LYS A 101 102.259 10.695 -3.796 1.00 0.00 H new ATOM 0 HB2 LYS A 101 102.299 13.364 -5.047 1.00 0.00 H new ATOM 0 HB3 LYS A 101 101.711 12.115 -6.125 1.00 0.00 H new ATOM 0 HG2 LYS A 101 100.469 11.694 -3.580 1.00 0.00 H new ATOM 0 HG3 LYS A 101 100.347 13.403 -3.945 1.00 0.00 H new ATOM 0 HD2 LYS A 101 99.091 13.047 -5.891 1.00 0.00 H new ATOM 0 HD3 LYS A 101 99.714 11.427 -6.128 1.00 0.00 H new ATOM 0 HE2 LYS A 101 98.291 11.626 -3.585 1.00 0.00 H new ATOM 0 HE3 LYS A 101 97.273 12.158 -4.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 96.883 9.938 -4.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 98.236 9.976 -6.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 98.414 9.511 -4.391 1.00 0.00 H new ATOM 1650 N VAL A 102 104.577 11.086 -6.088 1.00 0.00 N ATOM 1651 CA VAL A 102 105.318 10.395 -7.136 1.00 0.00 C ATOM 1652 C VAL A 102 105.943 9.110 -6.606 1.00 0.00 C ATOM 1653 O VAL A 102 106.031 8.109 -7.317 1.00 0.00 O ATOM 1654 CB VAL A 102 106.427 11.288 -7.718 1.00 0.00 C ATOM 1655 CG1 VAL A 102 107.458 11.627 -6.654 1.00 0.00 C ATOM 1656 CG2 VAL A 102 107.084 10.614 -8.913 1.00 0.00 C ATOM 0 H VAL A 102 104.956 11.998 -5.833 1.00 0.00 H new ATOM 0 HA VAL A 102 104.605 10.153 -7.924 1.00 0.00 H new ATOM 0 HB VAL A 102 105.974 12.219 -8.059 1.00 0.00 H new ATOM 0 HG11 VAL A 102 108.233 12.259 -7.087 1.00 0.00 H new ATOM 0 HG12 VAL A 102 106.974 12.157 -5.834 1.00 0.00 H new ATOM 0 HG13 VAL A 102 107.908 10.708 -6.277 1.00 0.00 H new ATOM 0 HG21 VAL A 102 107.866 11.261 -9.311 1.00 0.00 H new ATOM 0 HG22 VAL A 102 107.522 9.666 -8.601 1.00 0.00 H new ATOM 0 HG23 VAL A 102 106.336 10.432 -9.685 1.00 0.00 H new ATOM 1666 N ALA A 103 106.374 9.146 -5.349 1.00 0.00 N ATOM 1667 CA ALA A 103 106.993 7.986 -4.719 1.00 0.00 C ATOM 1668 C ALA A 103 105.990 6.849 -4.555 1.00 0.00 C ATOM 1669 O ALA A 103 106.370 5.680 -4.481 1.00 0.00 O ATOM 1670 CB ALA A 103 107.578 8.372 -3.369 1.00 0.00 C ATOM 0 H ALA A 103 106.306 9.966 -4.747 1.00 0.00 H new ATOM 0 HA ALA A 103 107.796 7.636 -5.367 1.00 0.00 H new ATOM 0 HB1 ALA A 103 108.037 7.498 -2.908 1.00 0.00 H new ATOM 0 HB2 ALA A 103 108.331 9.147 -3.507 1.00 0.00 H new ATOM 0 HB3 ALA A 103 106.785 8.748 -2.723 1.00 0.00 H new ATOM 1676 N ILE A 104 104.710 7.198 -4.499 1.00 0.00 N ATOM 1677 CA ILE A 104 103.653 6.210 -4.343 1.00 0.00 C ATOM 1678 C ILE A 104 103.670 5.212 -5.489 1.00 0.00 C ATOM 1679 O ILE A 104 103.310 4.046 -5.322 1.00 0.00 O ATOM 1680 CB ILE A 104 102.269 6.880 -4.275 1.00 0.00 C ATOM 1681 CG1 ILE A 104 101.961 7.330 -2.846 1.00 0.00 C ATOM 1682 CG2 ILE A 104 101.195 5.927 -4.779 1.00 0.00 C ATOM 1683 CD1 ILE A 104 103.126 7.996 -2.144 1.00 0.00 C ATOM 0 H ILE A 104 104.380 8.161 -4.560 1.00 0.00 H new ATOM 0 HA ILE A 104 103.838 5.685 -3.406 1.00 0.00 H new ATOM 0 HB ILE A 104 102.278 7.761 -4.917 1.00 0.00 H new ATOM 0 HG12 ILE A 104 101.120 8.023 -2.868 1.00 0.00 H new ATOM 0 HG13 ILE A 104 101.646 6.464 -2.263 1.00 0.00 H new ATOM 0 HG21 ILE A 104 100.222 6.414 -4.725 1.00 0.00 H new ATOM 0 HG22 ILE A 104 101.407 5.654 -5.813 1.00 0.00 H new ATOM 0 HG23 ILE A 104 101.186 5.029 -4.161 1.00 0.00 H new ATOM 0 HD11 ILE A 104 102.827 8.285 -1.137 1.00 0.00 H new ATOM 0 HD12 ILE A 104 103.963 7.300 -2.088 1.00 0.00 H new ATOM 0 HD13 ILE A 104 103.428 8.883 -2.701 1.00 0.00 H new ATOM 1695 N ASN A 105 104.097 5.680 -6.652 1.00 0.00 N ATOM 1696 CA ASN A 105 104.169 4.835 -7.838 1.00 0.00 C ATOM 1697 C ASN A 105 105.164 3.693 -7.634 1.00 0.00 C ATOM 1698 O ASN A 105 105.017 2.618 -8.213 1.00 0.00 O ATOM 1699 CB ASN A 105 104.569 5.665 -9.058 1.00 0.00 C ATOM 1700 CG ASN A 105 104.292 4.946 -10.364 1.00 0.00 C ATOM 1701 OD1 ASN A 105 105.174 4.811 -11.211 1.00 0.00 O ATOM 1702 ND2 ASN A 105 103.060 4.481 -10.533 1.00 0.00 N ATOM 0 H ASN A 105 104.400 6.642 -6.802 1.00 0.00 H new ATOM 0 HA ASN A 105 103.182 4.406 -8.008 1.00 0.00 H new ATOM 0 HB2 ASN A 105 104.026 6.610 -9.045 1.00 0.00 H new ATOM 0 HB3 ASN A 105 105.630 5.906 -8.998 1.00 0.00 H new ATOM 0 HD21 ASN A 105 102.814 3.989 -11.392 1.00 0.00 H new ATOM 0 HD22 ASN A 105 102.360 4.616 -9.804 1.00 0.00 H new ATOM 1709 N GLU A 106 106.179 3.942 -6.814 1.00 0.00 N ATOM 1710 CA GLU A 106 107.207 2.942 -6.538 1.00 0.00 C ATOM 1711 C GLU A 106 106.649 1.770 -5.733 1.00 0.00 C ATOM 1712 O GLU A 106 107.126 0.641 -5.855 1.00 0.00 O ATOM 1713 CB GLU A 106 108.375 3.580 -5.784 1.00 0.00 C ATOM 1714 CG GLU A 106 109.346 4.326 -6.684 1.00 0.00 C ATOM 1715 CD GLU A 106 110.775 4.263 -6.179 1.00 0.00 C ATOM 1716 OE1 GLU A 106 111.308 3.141 -6.047 1.00 0.00 O ATOM 1717 OE2 GLU A 106 111.359 5.335 -5.918 1.00 0.00 O ATOM 0 H GLU A 106 106.313 4.829 -6.328 1.00 0.00 H new ATOM 0 HA GLU A 106 107.559 2.557 -7.495 1.00 0.00 H new ATOM 0 HB2 GLU A 106 107.981 4.270 -5.038 1.00 0.00 H new ATOM 0 HB3 GLU A 106 108.916 2.803 -5.245 1.00 0.00 H new ATOM 0 HG2 GLU A 106 109.301 3.906 -7.689 1.00 0.00 H new ATOM 0 HG3 GLU A 106 109.037 5.369 -6.760 1.00 0.00 H new ATOM 1724 N ALA A 107 105.635 2.037 -4.915 1.00 0.00 N ATOM 1725 CA ALA A 107 105.021 0.998 -4.103 1.00 0.00 C ATOM 1726 C ALA A 107 104.773 -0.245 -4.941 1.00 0.00 C ATOM 1727 O ALA A 107 105.528 -1.217 -4.877 1.00 0.00 O ATOM 1728 CB ALA A 107 103.718 1.501 -3.505 1.00 0.00 C ATOM 0 H ALA A 107 105.224 2.963 -4.799 1.00 0.00 H new ATOM 0 HA ALA A 107 105.700 0.740 -3.290 1.00 0.00 H new ATOM 0 HB1 ALA A 107 103.268 0.714 -2.899 1.00 0.00 H new ATOM 0 HB2 ALA A 107 103.917 2.371 -2.880 1.00 0.00 H new ATOM 0 HB3 ALA A 107 103.033 1.779 -4.306 1.00 0.00 H new ATOM 1734 N ILE A 108 103.707 -0.197 -5.729 1.00 0.00 N ATOM 1735 CA ILE A 108 103.339 -1.308 -6.588 1.00 0.00 C ATOM 1736 C ILE A 108 104.559 -1.929 -7.258 1.00 0.00 C ATOM 1737 O ILE A 108 104.587 -3.129 -7.525 1.00 0.00 O ATOM 1738 CB ILE A 108 102.340 -0.874 -7.677 1.00 0.00 C ATOM 1739 CG1 ILE A 108 101.307 0.093 -7.096 1.00 0.00 C ATOM 1740 CG2 ILE A 108 101.655 -2.091 -8.281 1.00 0.00 C ATOM 1741 CD1 ILE A 108 100.113 0.316 -7.998 1.00 0.00 C ATOM 0 H ILE A 108 103.081 0.606 -5.789 1.00 0.00 H new ATOM 0 HA ILE A 108 102.868 -2.051 -5.944 1.00 0.00 H new ATOM 0 HB ILE A 108 102.886 -0.359 -8.467 1.00 0.00 H new ATOM 0 HG12 ILE A 108 100.961 -0.292 -6.137 1.00 0.00 H new ATOM 0 HG13 ILE A 108 101.788 1.051 -6.900 1.00 0.00 H new ATOM 0 HG21 ILE A 108 100.952 -1.769 -9.049 1.00 0.00 H new ATOM 0 HG22 ILE A 108 102.404 -2.746 -8.726 1.00 0.00 H new ATOM 0 HG23 ILE A 108 101.118 -2.631 -7.501 1.00 0.00 H new ATOM 0 HD11 ILE A 108 99.422 1.012 -7.522 1.00 0.00 H new ATOM 0 HD12 ILE A 108 100.448 0.730 -8.949 1.00 0.00 H new ATOM 0 HD13 ILE A 108 99.607 -0.633 -8.174 1.00 0.00 H new ATOM 1753 N GLU A 109 105.561 -1.105 -7.532 1.00 0.00 N ATOM 1754 CA GLU A 109 106.778 -1.579 -8.179 1.00 0.00 C ATOM 1755 C GLU A 109 107.437 -2.689 -7.367 1.00 0.00 C ATOM 1756 O GLU A 109 107.574 -3.820 -7.836 1.00 0.00 O ATOM 1757 CB GLU A 109 107.759 -0.423 -8.373 1.00 0.00 C ATOM 1758 CG GLU A 109 108.324 -0.334 -9.781 1.00 0.00 C ATOM 1759 CD GLU A 109 109.800 0.011 -9.796 1.00 0.00 C ATOM 1760 OE1 GLU A 109 110.244 0.759 -8.900 1.00 0.00 O ATOM 1761 OE2 GLU A 109 110.513 -0.466 -10.704 1.00 0.00 O ATOM 0 H GLU A 109 105.556 -0.108 -7.317 1.00 0.00 H new ATOM 0 HA GLU A 109 106.504 -1.984 -9.153 1.00 0.00 H new ATOM 0 HB2 GLU A 109 107.256 0.514 -8.133 1.00 0.00 H new ATOM 0 HB3 GLU A 109 108.582 -0.533 -7.667 1.00 0.00 H new ATOM 0 HG2 GLU A 109 108.172 -1.286 -10.290 1.00 0.00 H new ATOM 0 HG3 GLU A 109 107.773 0.420 -10.343 1.00 0.00 H new ATOM 1768 N LEU A 110 107.841 -2.358 -6.146 1.00 0.00 N ATOM 1769 CA LEU A 110 108.494 -3.321 -5.267 1.00 0.00 C ATOM 1770 C LEU A 110 107.484 -4.257 -4.610 1.00 0.00 C ATOM 1771 O LEU A 110 107.829 -5.028 -3.715 1.00 0.00 O ATOM 1772 CB LEU A 110 109.308 -2.587 -4.200 1.00 0.00 C ATOM 1773 CG LEU A 110 109.669 -1.142 -4.544 1.00 0.00 C ATOM 1774 CD1 LEU A 110 110.575 -0.548 -3.476 1.00 0.00 C ATOM 1775 CD2 LEU A 110 110.335 -1.070 -5.909 1.00 0.00 C ATOM 0 H LEU A 110 107.728 -1.428 -5.742 1.00 0.00 H new ATOM 0 HA LEU A 110 109.162 -3.931 -5.875 1.00 0.00 H new ATOM 0 HB2 LEU A 110 108.745 -2.593 -3.267 1.00 0.00 H new ATOM 0 HB3 LEU A 110 110.228 -3.143 -4.020 1.00 0.00 H new ATOM 0 HG LEU A 110 108.750 -0.557 -4.578 1.00 0.00 H new ATOM 0 HD11 LEU A 110 110.821 0.481 -3.739 1.00 0.00 H new ATOM 0 HD12 LEU A 110 110.063 -0.564 -2.514 1.00 0.00 H new ATOM 0 HD13 LEU A 110 111.491 -1.134 -3.409 1.00 0.00 H new ATOM 0 HD21 LEU A 110 110.585 -0.034 -6.138 1.00 0.00 H new ATOM 0 HD22 LEU A 110 111.245 -1.670 -5.902 1.00 0.00 H new ATOM 0 HD23 LEU A 110 109.653 -1.454 -6.667 1.00 0.00 H new ATOM 1787 N ALA A 111 106.238 -4.195 -5.063 1.00 0.00 N ATOM 1788 CA ALA A 111 105.190 -5.047 -4.523 1.00 0.00 C ATOM 1789 C ALA A 111 104.534 -5.870 -5.626 1.00 0.00 C ATOM 1790 O ALA A 111 103.626 -6.660 -5.365 1.00 0.00 O ATOM 1791 CB ALA A 111 104.151 -4.211 -3.794 1.00 0.00 C ATOM 0 H ALA A 111 105.930 -3.564 -5.803 1.00 0.00 H new ATOM 0 HA ALA A 111 105.645 -5.736 -3.812 1.00 0.00 H new ATOM 0 HB1 ALA A 111 103.374 -4.863 -3.396 1.00 0.00 H new ATOM 0 HB2 ALA A 111 104.627 -3.672 -2.975 1.00 0.00 H new ATOM 0 HB3 ALA A 111 103.706 -3.498 -4.488 1.00 0.00 H new ATOM 1797 N LYS A 112 104.997 -5.685 -6.862 1.00 0.00 N ATOM 1798 CA LYS A 112 104.445 -6.420 -7.995 1.00 0.00 C ATOM 1799 C LYS A 112 105.521 -7.252 -8.686 1.00 0.00 C ATOM 1800 O LYS A 112 105.220 -8.245 -9.349 1.00 0.00 O ATOM 1801 CB LYS A 112 103.802 -5.459 -8.996 1.00 0.00 C ATOM 1802 CG LYS A 112 104.760 -4.971 -10.067 1.00 0.00 C ATOM 1803 CD LYS A 112 104.119 -3.909 -10.947 1.00 0.00 C ATOM 1804 CE LYS A 112 104.638 -2.520 -10.614 1.00 0.00 C ATOM 1805 NZ LYS A 112 105.954 -2.251 -11.257 1.00 0.00 N ATOM 0 H LYS A 112 105.747 -5.037 -7.101 1.00 0.00 H new ATOM 0 HA LYS A 112 103.680 -7.097 -7.613 1.00 0.00 H new ATOM 0 HB2 LYS A 112 102.958 -5.956 -9.474 1.00 0.00 H new ATOM 0 HB3 LYS A 112 103.403 -4.599 -8.458 1.00 0.00 H new ATOM 0 HG2 LYS A 112 105.655 -4.564 -9.597 1.00 0.00 H new ATOM 0 HG3 LYS A 112 105.078 -5.812 -10.683 1.00 0.00 H new ATOM 0 HD2 LYS A 112 104.322 -4.132 -11.994 1.00 0.00 H new ATOM 0 HD3 LYS A 112 103.037 -3.934 -10.819 1.00 0.00 H new ATOM 0 HE2 LYS A 112 103.914 -1.774 -10.942 1.00 0.00 H new ATOM 0 HE3 LYS A 112 104.734 -2.418 -9.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 106.210 -1.252 -11.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 106.681 -2.857 -10.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 105.891 -2.455 -12.275 1.00 0.00 H new ATOM 1819 N SER A 113 106.777 -6.844 -8.527 1.00 0.00 N ATOM 1820 CA SER A 113 107.893 -7.555 -9.138 1.00 0.00 C ATOM 1821 C SER A 113 108.879 -8.043 -8.080 1.00 0.00 C ATOM 1822 O SER A 113 109.687 -8.936 -8.337 1.00 0.00 O ATOM 1823 CB SER A 113 108.612 -6.653 -10.143 1.00 0.00 C ATOM 1824 OG SER A 113 108.970 -7.371 -11.310 1.00 0.00 O ATOM 0 H SER A 113 107.046 -6.026 -7.981 1.00 0.00 H new ATOM 0 HA SER A 113 107.492 -8.424 -9.660 1.00 0.00 H new ATOM 0 HB2 SER A 113 107.967 -5.816 -10.411 1.00 0.00 H new ATOM 0 HB3 SER A 113 109.506 -6.232 -9.683 1.00 0.00 H new ATOM 0 HG SER A 113 109.426 -6.771 -11.936 1.00 0.00 H new ATOM 1830 N PHE A 114 108.811 -7.451 -6.892 1.00 0.00 N ATOM 1831 CA PHE A 114 109.702 -7.825 -5.799 1.00 0.00 C ATOM 1832 C PHE A 114 109.008 -8.775 -4.826 1.00 0.00 C ATOM 1833 O PHE A 114 109.660 -9.565 -4.144 1.00 0.00 O ATOM 1834 CB PHE A 114 110.180 -6.576 -5.059 1.00 0.00 C ATOM 1835 CG PHE A 114 111.179 -5.767 -5.836 1.00 0.00 C ATOM 1836 CD1 PHE A 114 110.826 -5.181 -7.041 1.00 0.00 C ATOM 1837 CD2 PHE A 114 112.470 -5.594 -5.363 1.00 0.00 C ATOM 1838 CE1 PHE A 114 111.741 -4.437 -7.759 1.00 0.00 C ATOM 1839 CE2 PHE A 114 113.390 -4.851 -6.078 1.00 0.00 C ATOM 1840 CZ PHE A 114 113.025 -4.272 -7.278 1.00 0.00 C ATOM 0 H PHE A 114 108.148 -6.711 -6.661 1.00 0.00 H new ATOM 0 HA PHE A 114 110.563 -8.341 -6.225 1.00 0.00 H new ATOM 0 HB2 PHE A 114 109.319 -5.949 -4.826 1.00 0.00 H new ATOM 0 HB3 PHE A 114 110.625 -6.873 -4.109 1.00 0.00 H new ATOM 0 HD1 PHE A 114 109.824 -5.308 -7.423 1.00 0.00 H new ATOM 0 HD2 PHE A 114 112.760 -6.045 -4.425 1.00 0.00 H new ATOM 0 HE1 PHE A 114 111.453 -3.984 -8.696 1.00 0.00 H new ATOM 0 HE2 PHE A 114 114.393 -4.723 -5.699 1.00 0.00 H new ATOM 0 HZ PHE A 114 113.742 -3.691 -7.839 1.00 0.00 H new ATOM 1850 N GLY A 115 107.683 -8.693 -4.769 1.00 0.00 N ATOM 1851 CA GLY A 115 106.925 -9.550 -3.876 1.00 0.00 C ATOM 1852 C GLY A 115 105.942 -10.435 -4.618 1.00 0.00 C ATOM 1853 O GLY A 115 106.340 -11.371 -5.312 1.00 0.00 O ATOM 0 H GLY A 115 107.121 -8.049 -5.325 1.00 0.00 H new ATOM 0 HA2 GLY A 115 107.613 -10.174 -3.306 1.00 0.00 H new ATOM 0 HA3 GLY A 115 106.384 -8.934 -3.158 1.00 0.00 H new ATOM 1857 N ALA A 116 104.655 -10.139 -4.471 1.00 0.00 N ATOM 1858 CA ALA A 116 103.612 -10.915 -5.132 1.00 0.00 C ATOM 1859 C ALA A 116 102.804 -10.044 -6.087 1.00 0.00 C ATOM 1860 O ALA A 116 102.978 -8.827 -6.133 1.00 0.00 O ATOM 1861 CB ALA A 116 102.699 -11.557 -4.098 1.00 0.00 C ATOM 0 H ALA A 116 104.309 -9.368 -3.900 1.00 0.00 H new ATOM 0 HA ALA A 116 104.091 -11.701 -5.716 1.00 0.00 H new ATOM 0 HB1 ALA A 116 101.925 -12.133 -4.604 1.00 0.00 H new ATOM 0 HB2 ALA A 116 103.283 -12.218 -3.457 1.00 0.00 H new ATOM 0 HB3 ALA A 116 102.234 -10.780 -3.491 1.00 0.00 H new ATOM 1867 N GLU A 117 101.918 -10.678 -6.850 1.00 0.00 N ATOM 1868 CA GLU A 117 101.082 -9.961 -7.806 1.00 0.00 C ATOM 1869 C GLU A 117 99.649 -9.847 -7.298 1.00 0.00 C ATOM 1870 O GLU A 117 99.021 -8.794 -7.413 1.00 0.00 O ATOM 1871 CB GLU A 117 101.100 -10.670 -9.162 1.00 0.00 C ATOM 1872 CG GLU A 117 100.966 -9.723 -10.342 1.00 0.00 C ATOM 1873 CD GLU A 117 100.161 -10.318 -11.481 1.00 0.00 C ATOM 1874 OE1 GLU A 117 98.972 -10.633 -11.264 1.00 0.00 O ATOM 1875 OE2 GLU A 117 100.719 -10.469 -12.587 1.00 0.00 O ATOM 0 H GLU A 117 101.761 -11.686 -6.824 1.00 0.00 H new ATOM 0 HA GLU A 117 101.487 -8.956 -7.923 1.00 0.00 H new ATOM 0 HB2 GLU A 117 102.031 -11.229 -9.259 1.00 0.00 H new ATOM 0 HB3 GLU A 117 100.287 -11.396 -9.195 1.00 0.00 H new ATOM 0 HG2 GLU A 117 100.491 -8.800 -10.010 1.00 0.00 H new ATOM 0 HG3 GLU A 117 101.959 -9.458 -10.704 1.00 0.00 H new ATOM 1882 N ASP A 118 99.137 -10.937 -6.735 1.00 0.00 N ATOM 1883 CA ASP A 118 97.777 -10.961 -6.209 1.00 0.00 C ATOM 1884 C ASP A 118 97.411 -9.616 -5.587 1.00 0.00 C ATOM 1885 O ASP A 118 96.436 -8.980 -5.989 1.00 0.00 O ATOM 1886 CB ASP A 118 97.630 -12.073 -5.169 1.00 0.00 C ATOM 1887 CG ASP A 118 96.301 -12.793 -5.276 1.00 0.00 C ATOM 1888 OD1 ASP A 118 95.568 -12.547 -6.257 1.00 0.00 O ATOM 1889 OD2 ASP A 118 95.991 -13.605 -4.378 1.00 0.00 O ATOM 0 H ASP A 118 99.644 -11.816 -6.631 1.00 0.00 H new ATOM 0 HA ASP A 118 97.096 -11.156 -7.038 1.00 0.00 H new ATOM 0 HB2 ASP A 118 98.440 -12.792 -5.293 1.00 0.00 H new ATOM 0 HB3 ASP A 118 97.730 -11.648 -4.170 1.00 0.00 H new ATOM 1894 N SER A 119 98.199 -9.189 -4.607 1.00 0.00 N ATOM 1895 CA SER A 119 97.959 -7.919 -3.931 1.00 0.00 C ATOM 1896 C SER A 119 99.136 -6.969 -4.130 1.00 0.00 C ATOM 1897 O SER A 119 100.101 -6.993 -3.367 1.00 0.00 O ATOM 1898 CB SER A 119 97.721 -8.149 -2.437 1.00 0.00 C ATOM 1899 OG SER A 119 97.684 -9.532 -2.132 1.00 0.00 O ATOM 0 H SER A 119 99.010 -9.703 -4.263 1.00 0.00 H new ATOM 0 HA SER A 119 97.069 -7.465 -4.367 1.00 0.00 H new ATOM 0 HB2 SER A 119 98.512 -7.668 -1.862 1.00 0.00 H new ATOM 0 HB3 SER A 119 96.782 -7.683 -2.140 1.00 0.00 H new ATOM 0 HG SER A 119 97.532 -9.651 -1.171 1.00 0.00 H new ATOM 1905 N HIS A 120 99.047 -6.134 -5.160 1.00 0.00 N ATOM 1906 CA HIS A 120 100.107 -5.177 -5.458 1.00 0.00 C ATOM 1907 C HIS A 120 99.567 -3.751 -5.477 1.00 0.00 C ATOM 1908 O HIS A 120 100.212 -2.828 -4.981 1.00 0.00 O ATOM 1909 CB HIS A 120 100.756 -5.506 -6.805 1.00 0.00 C ATOM 1910 CG HIS A 120 99.830 -5.349 -7.971 1.00 0.00 C ATOM 1911 ND1 HIS A 120 99.309 -4.133 -8.362 1.00 0.00 N ATOM 1912 CD2 HIS A 120 99.331 -6.263 -8.837 1.00 0.00 C ATOM 1913 CE1 HIS A 120 98.530 -4.307 -9.414 1.00 0.00 C ATOM 1914 NE2 HIS A 120 98.528 -5.591 -9.723 1.00 0.00 N ATOM 0 H HIS A 120 98.254 -6.100 -5.801 1.00 0.00 H new ATOM 0 HA HIS A 120 100.858 -5.250 -4.671 1.00 0.00 H new ATOM 0 HB2 HIS A 120 101.621 -4.859 -6.949 1.00 0.00 H new ATOM 0 HB3 HIS A 120 101.125 -6.531 -6.780 1.00 0.00 H new ATOM 0 HD2 HIS A 120 99.529 -7.325 -8.831 1.00 0.00 H new ATOM 0 HE1 HIS A 120 97.987 -3.531 -9.933 1.00 0.00 H new ATOM 0 HE2 HIS A 120 98.013 -6.014 -10.495 1.00 0.00 H new ATOM 1923 N LYS A 121 98.382 -3.577 -6.052 1.00 0.00 N ATOM 1924 CA LYS A 121 97.760 -2.260 -6.136 1.00 0.00 C ATOM 1925 C LYS A 121 97.533 -1.672 -4.747 1.00 0.00 C ATOM 1926 O LYS A 121 97.699 -0.470 -4.536 1.00 0.00 O ATOM 1927 CB LYS A 121 96.431 -2.349 -6.887 1.00 0.00 C ATOM 1928 CG LYS A 121 96.498 -1.816 -8.308 1.00 0.00 C ATOM 1929 CD LYS A 121 96.073 -0.358 -8.376 1.00 0.00 C ATOM 1930 CE LYS A 121 96.345 0.238 -9.747 1.00 0.00 C ATOM 1931 NZ LYS A 121 96.540 1.713 -9.685 1.00 0.00 N ATOM 0 H LYS A 121 97.833 -4.330 -6.466 1.00 0.00 H new ATOM 0 HA LYS A 121 98.436 -1.602 -6.681 1.00 0.00 H new ATOM 0 HB2 LYS A 121 96.107 -3.389 -6.913 1.00 0.00 H new ATOM 0 HB3 LYS A 121 95.673 -1.793 -6.335 1.00 0.00 H new ATOM 0 HG2 LYS A 121 97.514 -1.918 -8.689 1.00 0.00 H new ATOM 0 HG3 LYS A 121 95.854 -2.414 -8.953 1.00 0.00 H new ATOM 0 HD2 LYS A 121 95.010 -0.277 -8.147 1.00 0.00 H new ATOM 0 HD3 LYS A 121 96.607 0.214 -7.617 1.00 0.00 H new ATOM 0 HE2 LYS A 121 97.233 -0.227 -10.175 1.00 0.00 H new ATOM 0 HE3 LYS A 121 95.513 0.010 -10.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 96.723 2.079 -10.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 95.684 2.161 -9.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 97.350 1.931 -9.070 1.00 0.00 H new ATOM 1945 N PHE A 122 97.153 -2.526 -3.802 1.00 0.00 N ATOM 1946 CA PHE A 122 96.899 -2.088 -2.434 1.00 0.00 C ATOM 1947 C PHE A 122 98.144 -1.449 -1.828 1.00 0.00 C ATOM 1948 O PHE A 122 98.049 -0.518 -1.029 1.00 0.00 O ATOM 1949 CB PHE A 122 96.448 -3.270 -1.574 1.00 0.00 C ATOM 1950 CG PHE A 122 95.287 -4.025 -2.155 1.00 0.00 C ATOM 1951 CD1 PHE A 122 95.493 -5.018 -3.099 1.00 0.00 C ATOM 1952 CD2 PHE A 122 93.991 -3.741 -1.757 1.00 0.00 C ATOM 1953 CE1 PHE A 122 94.426 -5.714 -3.635 1.00 0.00 C ATOM 1954 CE2 PHE A 122 92.920 -4.433 -2.290 1.00 0.00 C ATOM 1955 CZ PHE A 122 93.138 -5.421 -3.230 1.00 0.00 C ATOM 0 H PHE A 122 97.014 -3.524 -3.958 1.00 0.00 H new ATOM 0 HA PHE A 122 96.105 -1.342 -2.459 1.00 0.00 H new ATOM 0 HB2 PHE A 122 97.286 -3.954 -1.442 1.00 0.00 H new ATOM 0 HB3 PHE A 122 96.175 -2.905 -0.584 1.00 0.00 H new ATOM 0 HD1 PHE A 122 96.498 -5.251 -3.419 1.00 0.00 H new ATOM 0 HD2 PHE A 122 93.815 -2.970 -1.022 1.00 0.00 H new ATOM 0 HE1 PHE A 122 94.599 -6.486 -4.370 1.00 0.00 H new ATOM 0 HE2 PHE A 122 91.914 -4.202 -1.972 1.00 0.00 H new ATOM 0 HZ PHE A 122 92.303 -5.964 -3.648 1.00 0.00 H new ATOM 1965 N VAL A 123 99.310 -1.954 -2.214 1.00 0.00 N ATOM 1966 CA VAL A 123 100.571 -1.429 -1.709 1.00 0.00 C ATOM 1967 C VAL A 123 100.732 0.048 -2.053 1.00 0.00 C ATOM 1968 O VAL A 123 101.234 0.832 -1.251 1.00 0.00 O ATOM 1969 CB VAL A 123 101.779 -2.216 -2.253 1.00 0.00 C ATOM 1970 CG1 VAL A 123 101.468 -3.702 -2.310 1.00 0.00 C ATOM 1971 CG2 VAL A 123 102.202 -1.700 -3.620 1.00 0.00 C ATOM 0 H VAL A 123 99.407 -2.725 -2.874 1.00 0.00 H new ATOM 0 HA VAL A 123 100.543 -1.543 -0.625 1.00 0.00 H new ATOM 0 HB VAL A 123 102.613 -2.065 -1.568 1.00 0.00 H new ATOM 0 HG11 VAL A 123 102.333 -4.240 -2.697 1.00 0.00 H new ATOM 0 HG12 VAL A 123 101.234 -4.063 -1.309 1.00 0.00 H new ATOM 0 HG13 VAL A 123 100.614 -3.870 -2.966 1.00 0.00 H new ATOM 0 HG21 VAL A 123 103.056 -2.275 -3.978 1.00 0.00 H new ATOM 0 HG22 VAL A 123 101.374 -1.806 -4.321 1.00 0.00 H new ATOM 0 HG23 VAL A 123 102.479 -0.649 -3.542 1.00 0.00 H new ATOM 1981 N ASN A 124 100.310 0.422 -3.251 1.00 0.00 N ATOM 1982 CA ASN A 124 100.417 1.806 -3.694 1.00 0.00 C ATOM 1983 C ASN A 124 99.718 2.743 -2.718 1.00 0.00 C ATOM 1984 O ASN A 124 100.255 3.792 -2.356 1.00 0.00 O ATOM 1985 CB ASN A 124 99.812 1.964 -5.091 1.00 0.00 C ATOM 1986 CG ASN A 124 98.442 2.613 -5.059 1.00 0.00 C ATOM 1987 OD1 ASN A 124 97.452 1.982 -4.689 1.00 0.00 O ATOM 1988 ND2 ASN A 124 98.379 3.880 -5.448 1.00 0.00 N ATOM 0 H ASN A 124 99.891 -0.210 -3.933 1.00 0.00 H new ATOM 0 HA ASN A 124 101.474 2.070 -3.731 1.00 0.00 H new ATOM 0 HB2 ASN A 124 100.481 2.564 -5.708 1.00 0.00 H new ATOM 0 HB3 ASN A 124 99.736 0.985 -5.564 1.00 0.00 H new ATOM 0 HD21 ASN A 124 97.484 4.370 -5.448 1.00 0.00 H new ATOM 0 HD22 ASN A 124 99.225 4.364 -5.747 1.00 0.00 H new ATOM 1995 N GLY A 125 98.522 2.360 -2.289 1.00 0.00 N ATOM 1996 CA GLY A 125 97.771 3.184 -1.366 1.00 0.00 C ATOM 1997 C GLY A 125 98.498 3.404 -0.056 1.00 0.00 C ATOM 1998 O GLY A 125 98.397 4.476 0.540 1.00 0.00 O ATOM 0 H GLY A 125 98.060 1.493 -2.565 1.00 0.00 H new ATOM 0 HA2 GLY A 125 97.567 4.149 -1.830 1.00 0.00 H new ATOM 0 HA3 GLY A 125 96.807 2.715 -1.168 1.00 0.00 H new ATOM 2002 N VAL A 126 99.248 2.402 0.392 1.00 0.00 N ATOM 2003 CA VAL A 126 99.993 2.528 1.636 1.00 0.00 C ATOM 2004 C VAL A 126 100.950 3.705 1.558 1.00 0.00 C ATOM 2005 O VAL A 126 101.096 4.468 2.514 1.00 0.00 O ATOM 2006 CB VAL A 126 100.809 1.265 1.964 1.00 0.00 C ATOM 2007 CG1 VAL A 126 100.133 0.017 1.414 1.00 0.00 C ATOM 2008 CG2 VAL A 126 102.232 1.408 1.434 1.00 0.00 C ATOM 0 H VAL A 126 99.354 1.505 -0.082 1.00 0.00 H new ATOM 0 HA VAL A 126 99.255 2.679 2.424 1.00 0.00 H new ATOM 0 HB VAL A 126 100.858 1.154 3.047 1.00 0.00 H new ATOM 0 HG11 VAL A 126 100.732 -0.860 1.661 1.00 0.00 H new ATOM 0 HG12 VAL A 126 99.142 -0.085 1.856 1.00 0.00 H new ATOM 0 HG13 VAL A 126 100.041 0.100 0.331 1.00 0.00 H new ATOM 0 HG21 VAL A 126 102.801 0.509 1.671 1.00 0.00 H new ATOM 0 HG22 VAL A 126 102.206 1.546 0.353 1.00 0.00 H new ATOM 0 HG23 VAL A 126 102.708 2.272 1.898 1.00 0.00 H new ATOM 2018 N LEU A 127 101.600 3.848 0.410 1.00 0.00 N ATOM 2019 CA LEU A 127 102.541 4.934 0.205 1.00 0.00 C ATOM 2020 C LEU A 127 101.812 6.268 0.127 1.00 0.00 C ATOM 2021 O LEU A 127 102.350 7.301 0.522 1.00 0.00 O ATOM 2022 CB LEU A 127 103.367 4.701 -1.058 1.00 0.00 C ATOM 2023 CG LEU A 127 104.881 4.649 -0.839 1.00 0.00 C ATOM 2024 CD1 LEU A 127 105.620 4.954 -2.131 1.00 0.00 C ATOM 2025 CD2 LEU A 127 105.297 5.623 0.253 1.00 0.00 C ATOM 0 H LEU A 127 101.491 3.225 -0.390 1.00 0.00 H new ATOM 0 HA LEU A 127 103.219 4.962 1.058 1.00 0.00 H new ATOM 0 HB2 LEU A 127 103.049 3.764 -1.515 1.00 0.00 H new ATOM 0 HB3 LEU A 127 103.145 5.495 -1.771 1.00 0.00 H new ATOM 0 HG LEU A 127 105.145 3.640 -0.521 1.00 0.00 H new ATOM 0 HD11 LEU A 127 106.695 4.912 -1.954 1.00 0.00 H new ATOM 0 HD12 LEU A 127 105.348 4.219 -2.888 1.00 0.00 H new ATOM 0 HD13 LEU A 127 105.348 5.951 -2.479 1.00 0.00 H new ATOM 0 HD21 LEU A 127 106.377 5.572 0.394 1.00 0.00 H new ATOM 0 HD22 LEU A 127 105.017 6.636 -0.037 1.00 0.00 H new ATOM 0 HD23 LEU A 127 104.796 5.360 1.185 1.00 0.00 H new ATOM 2037 N ASP A 128 100.582 6.240 -0.382 1.00 0.00 N ATOM 2038 CA ASP A 128 99.790 7.457 -0.500 1.00 0.00 C ATOM 2039 C ASP A 128 99.548 8.050 0.879 1.00 0.00 C ATOM 2040 O ASP A 128 99.723 9.248 1.092 1.00 0.00 O ATOM 2041 CB ASP A 128 98.455 7.163 -1.189 1.00 0.00 C ATOM 2042 CG ASP A 128 98.112 8.193 -2.247 1.00 0.00 C ATOM 2043 OD1 ASP A 128 99.008 8.976 -2.627 1.00 0.00 O ATOM 2044 OD2 ASP A 128 96.947 8.217 -2.696 1.00 0.00 O ATOM 0 H ASP A 128 100.118 5.395 -0.716 1.00 0.00 H new ATOM 0 HA ASP A 128 100.340 8.176 -1.107 1.00 0.00 H new ATOM 0 HB2 ASP A 128 98.496 6.175 -1.647 1.00 0.00 H new ATOM 0 HB3 ASP A 128 97.662 7.135 -0.442 1.00 0.00 H new ATOM 2049 N LYS A 129 99.164 7.193 1.817 1.00 0.00 N ATOM 2050 CA LYS A 129 98.923 7.616 3.188 1.00 0.00 C ATOM 2051 C LYS A 129 100.244 7.778 3.932 1.00 0.00 C ATOM 2052 O LYS A 129 100.433 8.727 4.692 1.00 0.00 O ATOM 2053 CB LYS A 129 98.034 6.602 3.911 1.00 0.00 C ATOM 2054 CG LYS A 129 96.883 6.088 3.063 1.00 0.00 C ATOM 2055 CD LYS A 129 96.267 7.199 2.228 1.00 0.00 C ATOM 2056 CE LYS A 129 94.755 7.070 2.158 1.00 0.00 C ATOM 2057 NZ LYS A 129 94.080 8.397 2.209 1.00 0.00 N ATOM 0 H LYS A 129 99.013 6.198 1.651 1.00 0.00 H new ATOM 0 HA LYS A 129 98.411 8.578 3.167 1.00 0.00 H new ATOM 0 HB2 LYS A 129 98.645 5.757 4.229 1.00 0.00 H new ATOM 0 HB3 LYS A 129 97.632 7.062 4.813 1.00 0.00 H new ATOM 0 HG2 LYS A 129 97.239 5.293 2.407 1.00 0.00 H new ATOM 0 HG3 LYS A 129 96.121 5.651 3.708 1.00 0.00 H new ATOM 0 HD2 LYS A 129 96.531 8.166 2.656 1.00 0.00 H new ATOM 0 HD3 LYS A 129 96.683 7.172 1.221 1.00 0.00 H new ATOM 0 HE2 LYS A 129 94.477 6.557 1.238 1.00 0.00 H new ATOM 0 HE3 LYS A 129 94.405 6.453 2.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 93.050 8.265 2.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 94.324 8.877 3.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 94.394 8.977 1.405 1.00 0.00 H new ATOM 2071 N ALA A 130 101.152 6.829 3.711 1.00 0.00 N ATOM 2072 CA ALA A 130 102.458 6.838 4.359 1.00 0.00 C ATOM 2073 C ALA A 130 103.365 7.940 3.813 1.00 0.00 C ATOM 2074 O ALA A 130 104.295 8.378 4.490 1.00 0.00 O ATOM 2075 CB ALA A 130 103.126 5.482 4.194 1.00 0.00 C ATOM 0 H ALA A 130 101.003 6.039 3.083 1.00 0.00 H new ATOM 0 HA ALA A 130 102.299 7.044 5.418 1.00 0.00 H new ATOM 0 HB1 ALA A 130 104.101 5.495 4.680 1.00 0.00 H new ATOM 0 HB2 ALA A 130 102.504 4.712 4.650 1.00 0.00 H new ATOM 0 HB3 ALA A 130 103.252 5.265 3.133 1.00 0.00 H new ATOM 2081 N ALA A 131 103.104 8.372 2.586 1.00 0.00 N ATOM 2082 CA ALA A 131 103.915 9.408 1.954 1.00 0.00 C ATOM 2083 C ALA A 131 103.855 10.719 2.728 1.00 0.00 C ATOM 2084 O ALA A 131 104.853 11.173 3.288 1.00 0.00 O ATOM 2085 CB ALA A 131 103.465 9.621 0.519 1.00 0.00 C ATOM 0 H ALA A 131 102.339 8.023 2.009 1.00 0.00 H new ATOM 0 HA ALA A 131 104.951 9.070 1.958 1.00 0.00 H new ATOM 0 HB1 ALA A 131 104.077 10.396 0.057 1.00 0.00 H new ATOM 0 HB2 ALA A 131 103.575 8.691 -0.039 1.00 0.00 H new ATOM 0 HB3 ALA A 131 102.420 9.929 0.507 1.00 0.00 H new ATOM 2091 N PRO A 132 102.673 11.342 2.762 1.00 0.00 N ATOM 2092 CA PRO A 132 102.452 12.615 3.461 1.00 0.00 C ATOM 2093 C PRO A 132 102.542 12.477 4.978 1.00 0.00 C ATOM 2094 O PRO A 132 101.635 12.881 5.706 1.00 0.00 O ATOM 2095 CB PRO A 132 101.034 12.999 3.037 1.00 0.00 C ATOM 2096 CG PRO A 132 100.379 11.700 2.717 1.00 0.00 C ATOM 2097 CD PRO A 132 101.451 10.848 2.111 1.00 0.00 C ATOM 0 HA PRO A 132 103.208 13.358 3.207 1.00 0.00 H new ATOM 0 HB2 PRO A 132 100.509 13.523 3.835 1.00 0.00 H new ATOM 0 HB3 PRO A 132 101.044 13.663 2.173 1.00 0.00 H new ATOM 0 HG2 PRO A 132 99.970 11.236 3.614 1.00 0.00 H new ATOM 0 HG3 PRO A 132 99.550 11.839 2.023 1.00 0.00 H new ATOM 0 HD2 PRO A 132 101.287 9.789 2.311 1.00 0.00 H new ATOM 0 HD3 PRO A 132 101.495 10.964 1.028 1.00 0.00 H new ATOM 2105 N VAL A 133 103.650 11.916 5.446 1.00 0.00 N ATOM 2106 CA VAL A 133 103.882 11.731 6.871 1.00 0.00 C ATOM 2107 C VAL A 133 105.345 12.000 7.200 1.00 0.00 C ATOM 2108 O VAL A 133 105.659 12.790 8.089 1.00 0.00 O ATOM 2109 CB VAL A 133 103.510 10.311 7.329 1.00 0.00 C ATOM 2110 CG1 VAL A 133 104.470 9.829 8.405 1.00 0.00 C ATOM 2111 CG2 VAL A 133 102.074 10.271 7.829 1.00 0.00 C ATOM 0 H VAL A 133 104.408 11.579 4.852 1.00 0.00 H new ATOM 0 HA VAL A 133 103.244 12.438 7.402 1.00 0.00 H new ATOM 0 HB VAL A 133 103.592 9.640 6.474 1.00 0.00 H new ATOM 0 HG11 VAL A 133 104.191 8.822 8.717 1.00 0.00 H new ATOM 0 HG12 VAL A 133 105.485 9.818 8.008 1.00 0.00 H new ATOM 0 HG13 VAL A 133 104.423 10.501 9.262 1.00 0.00 H new ATOM 0 HG21 VAL A 133 101.828 9.258 8.149 1.00 0.00 H new ATOM 0 HG22 VAL A 133 101.963 10.955 8.671 1.00 0.00 H new ATOM 0 HG23 VAL A 133 101.401 10.571 7.026 1.00 0.00 H new ATOM 2121 N ILE A 134 106.236 11.354 6.452 1.00 0.00 N ATOM 2122 CA ILE A 134 107.665 11.541 6.636 1.00 0.00 C ATOM 2123 C ILE A 134 108.024 12.997 6.370 1.00 0.00 C ATOM 2124 O ILE A 134 109.025 13.512 6.869 1.00 0.00 O ATOM 2125 CB ILE A 134 108.466 10.647 5.671 1.00 0.00 C ATOM 2126 CG1 ILE A 134 109.336 9.653 6.440 1.00 0.00 C ATOM 2127 CG2 ILE A 134 109.321 11.503 4.751 1.00 0.00 C ATOM 2128 CD1 ILE A 134 109.095 8.214 6.049 1.00 0.00 C ATOM 0 H ILE A 134 105.989 10.696 5.713 1.00 0.00 H new ATOM 0 HA ILE A 134 107.917 11.268 7.661 1.00 0.00 H new ATOM 0 HB ILE A 134 107.760 10.078 5.066 1.00 0.00 H new ATOM 0 HG12 ILE A 134 110.385 9.896 6.273 1.00 0.00 H new ATOM 0 HG13 ILE A 134 109.148 9.768 7.508 1.00 0.00 H new ATOM 0 HG21 ILE A 134 109.883 10.860 4.073 1.00 0.00 H new ATOM 0 HG22 ILE A 134 108.680 12.168 4.172 1.00 0.00 H new ATOM 0 HG23 ILE A 134 110.015 12.096 5.347 1.00 0.00 H new ATOM 0 HD11 ILE A 134 109.746 7.564 6.634 1.00 0.00 H new ATOM 0 HD12 ILE A 134 108.054 7.954 6.242 1.00 0.00 H new ATOM 0 HD13 ILE A 134 109.311 8.084 4.989 1.00 0.00 H new ATOM 2140 N ARG A 135 107.182 13.648 5.574 1.00 0.00 N ATOM 2141 CA ARG A 135 107.368 15.044 5.216 1.00 0.00 C ATOM 2142 C ARG A 135 106.645 15.951 6.205 1.00 0.00 C ATOM 2143 O ARG A 135 105.870 15.484 7.040 1.00 0.00 O ATOM 2144 CB ARG A 135 106.830 15.289 3.805 1.00 0.00 C ATOM 2145 CG ARG A 135 107.895 15.238 2.724 1.00 0.00 C ATOM 2146 CD ARG A 135 107.271 15.221 1.338 1.00 0.00 C ATOM 2147 NE ARG A 135 107.256 16.548 0.726 1.00 0.00 N ATOM 2148 CZ ARG A 135 108.238 17.025 -0.032 1.00 0.00 C ATOM 2149 NH1 ARG A 135 109.318 16.292 -0.265 1.00 0.00 N ATOM 2150 NH2 ARG A 135 108.143 18.239 -0.556 1.00 0.00 N ATOM 0 H ARG A 135 106.353 13.221 5.161 1.00 0.00 H new ATOM 0 HA ARG A 135 108.433 15.273 5.246 1.00 0.00 H new ATOM 0 HB2 ARG A 135 106.065 14.544 3.584 1.00 0.00 H new ATOM 0 HB3 ARG A 135 106.343 16.264 3.776 1.00 0.00 H new ATOM 0 HG2 ARG A 135 108.554 16.101 2.818 1.00 0.00 H new ATOM 0 HG3 ARG A 135 108.512 14.349 2.859 1.00 0.00 H new ATOM 0 HD2 ARG A 135 107.826 14.534 0.699 1.00 0.00 H new ATOM 0 HD3 ARG A 135 106.251 14.841 1.404 1.00 0.00 H new ATOM 0 HE ARG A 135 106.444 17.143 0.890 1.00 0.00 H new ATOM 0 HH11 ARG A 135 109.397 15.358 0.138 1.00 0.00 H new ATOM 0 HH12 ARG A 135 110.069 16.662 -0.847 1.00 0.00 H new ATOM 0 HH21 ARG A 135 107.316 18.808 -0.378 1.00 0.00 H new ATOM 0 HH22 ARG A 135 108.897 18.604 -1.138 1.00 0.00 H new ATOM 2164 N PRO A 136 106.884 17.265 6.115 1.00 0.00 N ATOM 2165 CA PRO A 136 106.251 18.250 6.995 1.00 0.00 C ATOM 2166 C PRO A 136 104.729 18.123 7.006 1.00 0.00 C ATOM 2167 O PRO A 136 104.062 18.654 7.894 1.00 0.00 O ATOM 2168 CB PRO A 136 106.672 19.602 6.400 1.00 0.00 C ATOM 2169 CG PRO A 136 107.231 19.289 5.050 1.00 0.00 C ATOM 2170 CD PRO A 136 107.785 17.899 5.149 1.00 0.00 C ATOM 0 HA PRO A 136 106.558 18.118 8.033 1.00 0.00 H new ATOM 0 HB2 PRO A 136 105.821 20.279 6.325 1.00 0.00 H new ATOM 0 HB3 PRO A 136 107.415 20.093 7.028 1.00 0.00 H new ATOM 0 HG2 PRO A 136 106.458 19.348 4.284 1.00 0.00 H new ATOM 0 HG3 PRO A 136 108.009 20.001 4.774 1.00 0.00 H new ATOM 0 HD2 PRO A 136 107.772 17.388 4.186 1.00 0.00 H new ATOM 0 HD3 PRO A 136 108.818 17.898 5.497 1.00 0.00 H new ATOM 2178 N ASN A 137 104.183 17.418 6.016 1.00 0.00 N ATOM 2179 CA ASN A 137 102.741 17.226 5.920 1.00 0.00 C ATOM 2180 C ASN A 137 102.336 16.863 4.494 1.00 0.00 C ATOM 2181 O ASN A 137 102.281 15.687 4.133 1.00 0.00 O ATOM 2182 CB ASN A 137 102.005 18.490 6.364 1.00 0.00 C ATOM 2183 CG ASN A 137 101.504 18.398 7.792 1.00 0.00 C ATOM 2184 OD1 ASN A 137 101.712 17.391 8.470 1.00 0.00 O ATOM 2185 ND2 ASN A 137 100.838 19.449 8.255 1.00 0.00 N ATOM 0 H ASN A 137 104.719 16.972 5.271 1.00 0.00 H new ATOM 0 HA ASN A 137 102.465 16.403 6.580 1.00 0.00 H new ATOM 0 HB2 ASN A 137 102.672 19.347 6.271 1.00 0.00 H new ATOM 0 HB3 ASN A 137 101.162 18.669 5.697 1.00 0.00 H new ATOM 0 HD21 ASN A 137 100.475 19.443 9.208 1.00 0.00 H new ATOM 0 HD22 ASN A 137 100.689 20.262 7.657 1.00 0.00 H new ATOM 2192 N LYS A 138 102.052 17.881 3.689 1.00 0.00 N ATOM 2193 CA LYS A 138 101.650 17.671 2.303 1.00 0.00 C ATOM 2194 C LYS A 138 101.632 18.990 1.536 1.00 0.00 C ATOM 2195 O LYS A 138 100.851 19.889 1.847 1.00 0.00 O ATOM 2196 CB LYS A 138 100.269 17.016 2.243 1.00 0.00 C ATOM 2197 CG LYS A 138 99.174 17.844 2.895 1.00 0.00 C ATOM 2198 CD LYS A 138 98.674 17.195 4.177 1.00 0.00 C ATOM 2199 CE LYS A 138 97.158 17.255 4.276 1.00 0.00 C ATOM 2200 NZ LYS A 138 96.577 15.948 4.687 1.00 0.00 N ATOM 0 H LYS A 138 102.093 18.860 3.972 1.00 0.00 H new ATOM 0 HA LYS A 138 102.379 17.009 1.837 1.00 0.00 H new ATOM 0 HB2 LYS A 138 100.006 16.837 1.200 1.00 0.00 H new ATOM 0 HB3 LYS A 138 100.316 16.043 2.731 1.00 0.00 H new ATOM 0 HG2 LYS A 138 99.553 18.842 3.115 1.00 0.00 H new ATOM 0 HG3 LYS A 138 98.344 17.964 2.199 1.00 0.00 H new ATOM 0 HD2 LYS A 138 99.001 16.156 4.212 1.00 0.00 H new ATOM 0 HD3 LYS A 138 99.116 17.698 5.037 1.00 0.00 H new ATOM 0 HE2 LYS A 138 96.871 18.022 4.995 1.00 0.00 H new ATOM 0 HE3 LYS A 138 96.743 17.550 3.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 95.542 16.030 4.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 96.829 15.221 3.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 96.954 15.678 5.618 1.00 0.00 H new ATOM 2214 N LYS A 139 102.498 19.098 0.534 1.00 0.00 N ATOM 2215 CA LYS A 139 102.582 20.307 -0.277 1.00 0.00 C ATOM 2216 C LYS A 139 101.193 20.777 -0.696 1.00 0.00 C ATOM 2217 O LYS A 139 101.078 21.920 -1.188 1.00 0.00 O ATOM 2218 CB LYS A 139 103.444 20.058 -1.515 1.00 0.00 C ATOM 2219 CG LYS A 139 104.755 20.826 -1.508 1.00 0.00 C ATOM 2220 CD LYS A 139 104.554 22.275 -1.923 1.00 0.00 C ATOM 2221 CE LYS A 139 105.774 22.822 -2.645 1.00 0.00 C ATOM 2222 NZ LYS A 139 107.006 22.714 -1.815 1.00 0.00 N ATOM 2223 OXT LYS A 139 100.230 19.998 -0.531 1.00 0.00 O ATOM 0 H LYS A 139 103.152 18.363 0.264 1.00 0.00 H new ATOM 0 HA LYS A 139 103.044 21.088 0.327 1.00 0.00 H new ATOM 0 HB2 LYS A 139 103.658 18.992 -1.590 1.00 0.00 H new ATOM 0 HB3 LYS A 139 102.876 20.333 -2.404 1.00 0.00 H new ATOM 0 HG2 LYS A 139 105.194 20.790 -0.511 1.00 0.00 H new ATOM 0 HG3 LYS A 139 105.462 20.347 -2.185 1.00 0.00 H new ATOM 0 HD2 LYS A 139 103.681 22.351 -2.572 1.00 0.00 H new ATOM 0 HD3 LYS A 139 104.349 22.882 -1.041 1.00 0.00 H new ATOM 0 HE2 LYS A 139 105.917 22.279 -3.579 1.00 0.00 H new ATOM 0 HE3 LYS A 139 105.603 23.866 -2.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 139 107.790 23.203 -2.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 139 106.839 23.152 -0.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 139 107.251 21.712 -1.686 1.00 0.00 H new TER 2237 LYS A 139