USER MOD reduce.3.24.130724 H: found=0, std=0, add=1130, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 1130 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 21 GLN : amide:sc= -0.208 X(o=-4.6,f=-4.7) USER MOD Set 1.2: A 79 GLN : amide:sc= -4.37! C(o=-4.6!,f=-7.2!) USER MOD Set 2.1: A 66 MET CE :methyl -169:sc= -3.12! (180deg=-1.2) USER MOD Set 2.2: A 69 TYR OH : rot -33:sc= -1.67! USER MOD Set 3.1: A 57 THR OG1 : rot -51:sc= 0.731 USER MOD Set 3.2: A 58 ASN : amide:sc= -1.36 X(o=-0.63,f=-0.96!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -103:sc= 0.0221 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 CYS SG : rot -47:sc= -1.47! USER MOD Single : A 15 GLN : amide:sc= -0.0268 X(o=-0.027,f=-0.3) USER MOD Single : A 18 TYR OH : rot 180:sc=-0.00699 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= 0 X(o=0,f=0) USER MOD Single : A 25 ASN : amide:sc= -0.848 X(o=-0.85,f=-1.1) USER MOD Single : A 32 TYR OH : rot 90:sc= -2.6! USER MOD Single : A 33 GLN : amide:sc= -0.0212 X(o=-0.021,f=-0.076) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot -70:sc= 0.972 USER MOD Single : A 61 TYR OH : rot 130:sc= -4.82! USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot -4:sc= -0.736 USER MOD Single : A 82 LYS NZ :NH3+ -139:sc= -4.32! (180deg=-6.31!) USER MOD Single : A 90 TYR OH : rot 30:sc= -1.73! USER MOD Single : A 93 SER OG : rot -136:sc= -0.88! USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 160:sc= -0.105 (180deg=-0.557) USER MOD Single : A 105 ASN : amide:sc= -0.235 K(o=-0.23,f=-2.7!) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot -34:sc= 0.136 USER MOD Single : A 120 HIS : no HD1:sc= -4.47! C(o=-4.5!,f=-6.4!) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 ASN : amide:sc= -7.11! C(o=-7.1!,f=-10!) USER MOD Single : A 129 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0142) USER MOD Single : A 137 ASN : amide:sc= -0.455 X(o=-0.45,f=0) USER MOD Single : A 138 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0571) USER MOD Single : A 139 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 122.809 1.231 -24.993 1.00 0.00 N ATOM 2 CA MET A 1 123.639 0.900 -23.804 1.00 0.00 C ATOM 3 C MET A 1 124.142 2.164 -23.114 1.00 0.00 C ATOM 4 O MET A 1 124.401 3.176 -23.764 1.00 0.00 O ATOM 5 CB MET A 1 124.820 0.040 -24.259 1.00 0.00 C ATOM 6 CG MET A 1 125.956 0.843 -24.871 1.00 0.00 C ATOM 7 SD MET A 1 126.911 -0.106 -26.071 1.00 0.00 S ATOM 8 CE MET A 1 128.489 -0.222 -25.232 1.00 0.00 C ATOM 0 H1 MET A 1 121.803 1.105 -24.760 1.00 0.00 H new ATOM 0 H2 MET A 1 122.979 2.219 -25.271 1.00 0.00 H new ATOM 0 H3 MET A 1 123.064 0.601 -25.780 1.00 0.00 H new ATOM 0 HA MET A 1 123.031 0.353 -23.083 1.00 0.00 H new ATOM 0 HB2 MET A 1 125.201 -0.521 -23.405 1.00 0.00 H new ATOM 0 HB3 MET A 1 124.468 -0.690 -24.988 1.00 0.00 H new ATOM 0 HG2 MET A 1 125.548 1.730 -25.357 1.00 0.00 H new ATOM 0 HG3 MET A 1 126.619 1.190 -24.078 1.00 0.00 H new ATOM 0 HE1 MET A 1 129.189 -0.783 -25.850 1.00 0.00 H new ATOM 0 HE2 MET A 1 128.882 0.779 -25.056 1.00 0.00 H new ATOM 0 HE3 MET A 1 128.357 -0.733 -24.278 1.00 0.00 H new ATOM 20 N LYS A 2 124.278 2.097 -21.795 1.00 0.00 N ATOM 21 CA LYS A 2 124.751 3.236 -21.015 1.00 0.00 C ATOM 22 C LYS A 2 125.418 2.773 -19.725 1.00 0.00 C ATOM 23 O LYS A 2 125.280 1.618 -19.321 1.00 0.00 O ATOM 24 CB LYS A 2 123.588 4.177 -20.694 1.00 0.00 C ATOM 25 CG LYS A 2 122.599 4.335 -21.837 1.00 0.00 C ATOM 26 CD LYS A 2 121.411 5.194 -21.432 1.00 0.00 C ATOM 27 CE LYS A 2 120.689 5.752 -22.647 1.00 0.00 C ATOM 28 NZ LYS A 2 119.644 6.743 -22.265 1.00 0.00 N ATOM 0 H LYS A 2 124.068 1.266 -21.242 1.00 0.00 H new ATOM 0 HA LYS A 2 125.490 3.772 -21.611 1.00 0.00 H new ATOM 0 HB2 LYS A 2 123.060 3.802 -19.817 1.00 0.00 H new ATOM 0 HB3 LYS A 2 123.987 5.157 -20.432 1.00 0.00 H new ATOM 0 HG2 LYS A 2 123.100 4.786 -22.693 1.00 0.00 H new ATOM 0 HG3 LYS A 2 122.248 3.353 -22.154 1.00 0.00 H new ATOM 0 HD2 LYS A 2 120.718 4.601 -20.836 1.00 0.00 H new ATOM 0 HD3 LYS A 2 121.752 6.015 -20.801 1.00 0.00 H new ATOM 0 HE2 LYS A 2 121.411 6.224 -23.313 1.00 0.00 H new ATOM 0 HE3 LYS A 2 120.229 4.935 -23.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 119.175 7.100 -23.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 118.941 6.286 -21.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 120.086 7.535 -21.757 1.00 0.00 H new ATOM 42 N PRO A 3 126.152 3.677 -19.060 1.00 0.00 N ATOM 43 CA PRO A 3 126.849 3.371 -17.808 1.00 0.00 C ATOM 44 C PRO A 3 125.926 2.746 -16.767 1.00 0.00 C ATOM 45 O PRO A 3 126.244 1.709 -16.184 1.00 0.00 O ATOM 46 CB PRO A 3 127.335 4.744 -17.339 1.00 0.00 C ATOM 47 CG PRO A 3 127.483 5.530 -18.589 1.00 0.00 C ATOM 48 CD PRO A 3 126.363 5.075 -19.479 1.00 0.00 C ATOM 0 HA PRO A 3 127.647 2.642 -17.949 1.00 0.00 H new ATOM 0 HB2 PRO A 3 126.620 5.208 -16.660 1.00 0.00 H new ATOM 0 HB3 PRO A 3 128.281 4.669 -16.803 1.00 0.00 H new ATOM 0 HG2 PRO A 3 127.418 6.600 -18.391 1.00 0.00 H new ATOM 0 HG3 PRO A 3 128.452 5.350 -19.054 1.00 0.00 H new ATOM 0 HD2 PRO A 3 125.466 5.678 -19.339 1.00 0.00 H new ATOM 0 HD3 PRO A 3 126.632 5.144 -20.533 1.00 0.00 H new ATOM 56 N ALA A 4 124.783 3.383 -16.539 1.00 0.00 N ATOM 57 CA ALA A 4 123.814 2.889 -15.568 1.00 0.00 C ATOM 58 C ALA A 4 122.408 3.378 -15.898 1.00 0.00 C ATOM 59 O ALA A 4 122.048 4.515 -15.592 1.00 0.00 O ATOM 60 CB ALA A 4 124.209 3.319 -14.163 1.00 0.00 C ATOM 0 H ALA A 4 124.505 4.242 -17.013 1.00 0.00 H new ATOM 0 HA ALA A 4 123.812 1.800 -15.615 1.00 0.00 H new ATOM 0 HB1 ALA A 4 123.477 2.943 -13.448 1.00 0.00 H new ATOM 0 HB2 ALA A 4 125.192 2.915 -13.922 1.00 0.00 H new ATOM 0 HB3 ALA A 4 124.241 4.407 -14.111 1.00 0.00 H new ATOM 66 N ALA A 5 121.617 2.513 -16.522 1.00 0.00 N ATOM 67 CA ALA A 5 120.249 2.857 -16.893 1.00 0.00 C ATOM 68 C ALA A 5 119.277 2.516 -15.769 1.00 0.00 C ATOM 69 O ALA A 5 118.719 3.405 -15.126 1.00 0.00 O ATOM 70 CB ALA A 5 119.853 2.138 -18.174 1.00 0.00 C ATOM 0 H ALA A 5 121.899 1.568 -16.782 1.00 0.00 H new ATOM 0 HA ALA A 5 120.203 3.932 -17.066 1.00 0.00 H new ATOM 0 HB1 ALA A 5 118.830 2.404 -18.439 1.00 0.00 H new ATOM 0 HB2 ALA A 5 120.525 2.433 -18.980 1.00 0.00 H new ATOM 0 HB3 ALA A 5 119.920 1.061 -18.022 1.00 0.00 H new ATOM 76 N ARG A 6 119.079 1.222 -15.537 1.00 0.00 N ATOM 77 CA ARG A 6 118.173 0.763 -14.490 1.00 0.00 C ATOM 78 C ARG A 6 118.893 0.683 -13.148 1.00 0.00 C ATOM 79 O ARG A 6 119.911 0.003 -13.018 1.00 0.00 O ATOM 80 CB ARG A 6 117.591 -0.604 -14.854 1.00 0.00 C ATOM 81 CG ARG A 6 117.440 -1.537 -13.664 1.00 0.00 C ATOM 82 CD ARG A 6 116.544 -0.936 -12.594 1.00 0.00 C ATOM 83 NE ARG A 6 115.715 0.145 -13.120 1.00 0.00 N ATOM 84 CZ ARG A 6 114.653 -0.052 -13.895 1.00 0.00 C ATOM 85 NH1 ARG A 6 114.294 -1.282 -14.231 1.00 0.00 N ATOM 86 NH2 ARG A 6 113.949 0.984 -14.333 1.00 0.00 N ATOM 0 H ARG A 6 119.534 0.473 -16.060 1.00 0.00 H new ATOM 0 HA ARG A 6 117.360 1.484 -14.404 1.00 0.00 H new ATOM 0 HB2 ARG A 6 116.616 -0.462 -15.320 1.00 0.00 H new ATOM 0 HB3 ARG A 6 118.233 -1.077 -15.597 1.00 0.00 H new ATOM 0 HG2 ARG A 6 117.023 -2.488 -13.997 1.00 0.00 H new ATOM 0 HG3 ARG A 6 118.422 -1.750 -13.240 1.00 0.00 H new ATOM 0 HD2 ARG A 6 115.904 -1.714 -12.178 1.00 0.00 H new ATOM 0 HD3 ARG A 6 117.158 -0.557 -11.777 1.00 0.00 H new ATOM 0 HE ARG A 6 115.965 1.104 -12.879 1.00 0.00 H new ATOM 0 HH11 ARG A 6 114.833 -2.080 -13.895 1.00 0.00 H new ATOM 0 HH12 ARG A 6 113.479 -1.431 -14.826 1.00 0.00 H new ATOM 0 HH21 ARG A 6 114.223 1.932 -14.075 1.00 0.00 H new ATOM 0 HH22 ARG A 6 113.134 0.832 -14.928 1.00 0.00 H new ATOM 100 N ARG A 7 118.358 1.383 -12.153 1.00 0.00 N ATOM 101 CA ARG A 7 118.952 1.392 -10.821 1.00 0.00 C ATOM 102 C ARG A 7 118.175 0.486 -9.870 1.00 0.00 C ATOM 103 O ARG A 7 117.021 0.759 -9.542 1.00 0.00 O ATOM 104 CB ARG A 7 118.990 2.818 -10.268 1.00 0.00 C ATOM 105 CG ARG A 7 120.291 3.548 -10.557 1.00 0.00 C ATOM 106 CD ARG A 7 121.389 3.132 -9.591 1.00 0.00 C ATOM 107 NE ARG A 7 122.092 4.285 -9.034 1.00 0.00 N ATOM 108 CZ ARG A 7 123.103 4.186 -8.177 1.00 0.00 C ATOM 109 NH1 ARG A 7 123.525 2.993 -7.781 1.00 0.00 N ATOM 110 NH2 ARG A 7 123.692 5.280 -7.715 1.00 0.00 N ATOM 0 H ARG A 7 117.515 1.951 -12.244 1.00 0.00 H new ATOM 0 HA ARG A 7 119.971 1.012 -10.902 1.00 0.00 H new ATOM 0 HB2 ARG A 7 118.162 3.386 -10.693 1.00 0.00 H new ATOM 0 HB3 ARG A 7 118.833 2.785 -9.190 1.00 0.00 H new ATOM 0 HG2 ARG A 7 120.607 3.341 -11.580 1.00 0.00 H new ATOM 0 HG3 ARG A 7 120.130 4.624 -10.485 1.00 0.00 H new ATOM 0 HD2 ARG A 7 120.956 2.545 -8.781 1.00 0.00 H new ATOM 0 HD3 ARG A 7 122.101 2.487 -10.107 1.00 0.00 H new ATOM 0 HE ARG A 7 121.790 5.217 -9.318 1.00 0.00 H new ATOM 0 HH11 ARG A 7 123.074 2.149 -8.134 1.00 0.00 H new ATOM 0 HH12 ARG A 7 124.301 2.919 -7.123 1.00 0.00 H new ATOM 0 HH21 ARG A 7 123.369 6.199 -8.017 1.00 0.00 H new ATOM 0 HH22 ARG A 7 124.468 5.203 -7.057 1.00 0.00 H new ATOM 124 N ARG A 8 118.819 -0.590 -9.429 1.00 0.00 N ATOM 125 CA ARG A 8 118.189 -1.534 -8.513 1.00 0.00 C ATOM 126 C ARG A 8 118.408 -1.109 -7.065 1.00 0.00 C ATOM 127 O ARG A 8 117.506 -0.554 -6.436 1.00 0.00 O ATOM 128 CB ARG A 8 118.747 -2.942 -8.734 1.00 0.00 C ATOM 129 CG ARG A 8 118.375 -3.537 -10.083 1.00 0.00 C ATOM 130 CD ARG A 8 116.902 -3.905 -10.143 1.00 0.00 C ATOM 131 NE ARG A 8 116.702 -5.331 -10.380 1.00 0.00 N ATOM 132 CZ ARG A 8 117.024 -5.941 -11.515 1.00 0.00 C ATOM 133 NH1 ARG A 8 117.557 -5.249 -12.514 1.00 0.00 N ATOM 134 NH2 ARG A 8 116.812 -7.242 -11.655 1.00 0.00 N ATOM 0 H ARG A 8 119.775 -0.830 -9.691 1.00 0.00 H new ATOM 0 HA ARG A 8 117.118 -1.541 -8.715 1.00 0.00 H new ATOM 0 HB2 ARG A 8 119.833 -2.912 -8.646 1.00 0.00 H new ATOM 0 HB3 ARG A 8 118.381 -3.597 -7.943 1.00 0.00 H new ATOM 0 HG2 ARG A 8 118.605 -2.822 -10.873 1.00 0.00 H new ATOM 0 HG3 ARG A 8 118.980 -4.424 -10.270 1.00 0.00 H new ATOM 0 HD2 ARG A 8 116.420 -3.622 -9.207 1.00 0.00 H new ATOM 0 HD3 ARG A 8 116.418 -3.335 -10.936 1.00 0.00 H new ATOM 0 HE ARG A 8 116.292 -5.891 -9.632 1.00 0.00 H new ATOM 0 HH11 ARG A 8 117.720 -4.247 -12.411 1.00 0.00 H new ATOM 0 HH12 ARG A 8 117.804 -5.719 -13.385 1.00 0.00 H new ATOM 0 HH21 ARG A 8 116.401 -7.777 -10.890 1.00 0.00 H new ATOM 0 HH22 ARG A 8 117.060 -7.708 -12.528 1.00 0.00 H new ATOM 148 N ALA A 9 119.616 -1.375 -6.556 1.00 0.00 N ATOM 149 CA ALA A 9 119.996 -1.031 -5.183 1.00 0.00 C ATOM 150 C ALA A 9 118.784 -0.798 -4.286 1.00 0.00 C ATOM 151 O ALA A 9 118.369 -1.691 -3.546 1.00 0.00 O ATOM 152 CB ALA A 9 120.908 0.190 -5.181 1.00 0.00 C ATOM 0 H ALA A 9 120.357 -1.835 -7.085 1.00 0.00 H new ATOM 0 HA ALA A 9 120.536 -1.884 -4.771 1.00 0.00 H new ATOM 0 HB1 ALA A 9 121.184 0.436 -4.156 1.00 0.00 H new ATOM 0 HB2 ALA A 9 121.808 -0.027 -5.757 1.00 0.00 H new ATOM 0 HB3 ALA A 9 120.386 1.035 -5.629 1.00 0.00 H new ATOM 158 N ARG A 10 118.221 0.404 -4.357 1.00 0.00 N ATOM 159 CA ARG A 10 117.059 0.759 -3.550 1.00 0.00 C ATOM 160 C ARG A 10 116.141 -0.439 -3.360 1.00 0.00 C ATOM 161 O ARG A 10 116.086 -1.029 -2.280 1.00 0.00 O ATOM 162 CB ARG A 10 116.290 1.910 -4.203 1.00 0.00 C ATOM 163 CG ARG A 10 115.764 2.931 -3.208 1.00 0.00 C ATOM 164 CD ARG A 10 116.286 4.326 -3.512 1.00 0.00 C ATOM 165 NE ARG A 10 116.598 5.071 -2.296 1.00 0.00 N ATOM 166 CZ ARG A 10 116.986 6.341 -2.290 1.00 0.00 C ATOM 167 NH1 ARG A 10 117.107 7.005 -3.432 1.00 0.00 N ATOM 168 NH2 ARG A 10 117.252 6.950 -1.143 1.00 0.00 N ATOM 0 H ARG A 10 118.552 1.151 -4.967 1.00 0.00 H new ATOM 0 HA ARG A 10 117.413 1.079 -2.570 1.00 0.00 H new ATOM 0 HB2 ARG A 10 116.942 2.413 -4.917 1.00 0.00 H new ATOM 0 HB3 ARG A 10 115.453 1.502 -4.769 1.00 0.00 H new ATOM 0 HG2 ARG A 10 114.674 2.936 -3.232 1.00 0.00 H new ATOM 0 HG3 ARG A 10 116.059 2.643 -2.199 1.00 0.00 H new ATOM 0 HD2 ARG A 10 117.180 4.251 -4.131 1.00 0.00 H new ATOM 0 HD3 ARG A 10 115.542 4.873 -4.091 1.00 0.00 H new ATOM 0 HE ARG A 10 116.513 4.589 -1.401 1.00 0.00 H new ATOM 0 HH11 ARG A 10 116.902 6.540 -4.316 1.00 0.00 H new ATOM 0 HH12 ARG A 10 117.405 7.980 -3.426 1.00 0.00 H new ATOM 0 HH21 ARG A 10 117.159 6.443 -0.263 1.00 0.00 H new ATOM 0 HH22 ARG A 10 117.550 7.926 -1.141 1.00 0.00 H new ATOM 182 N GLU A 11 115.422 -0.798 -4.416 1.00 0.00 N ATOM 183 CA GLU A 11 114.508 -1.930 -4.363 1.00 0.00 C ATOM 184 C GLU A 11 115.266 -3.219 -4.065 1.00 0.00 C ATOM 185 O GLU A 11 114.757 -4.107 -3.385 1.00 0.00 O ATOM 186 CB GLU A 11 113.752 -2.063 -5.685 1.00 0.00 C ATOM 187 CG GLU A 11 113.464 -0.729 -6.357 1.00 0.00 C ATOM 188 CD GLU A 11 114.500 -0.370 -7.404 1.00 0.00 C ATOM 189 OE1 GLU A 11 114.449 -0.945 -8.512 1.00 0.00 O ATOM 190 OE2 GLU A 11 115.361 0.489 -7.117 1.00 0.00 O ATOM 0 H GLU A 11 115.454 -0.322 -5.318 1.00 0.00 H new ATOM 0 HA GLU A 11 113.791 -1.754 -3.561 1.00 0.00 H new ATOM 0 HB2 GLU A 11 114.333 -2.685 -6.365 1.00 0.00 H new ATOM 0 HB3 GLU A 11 112.810 -2.581 -5.505 1.00 0.00 H new ATOM 0 HG2 GLU A 11 112.479 -0.766 -6.823 1.00 0.00 H new ATOM 0 HG3 GLU A 11 113.430 0.055 -5.601 1.00 0.00 H new ATOM 197 N CYS A 12 116.487 -3.311 -4.576 1.00 0.00 N ATOM 198 CA CYS A 12 117.317 -4.490 -4.365 1.00 0.00 C ATOM 199 C CYS A 12 117.589 -4.707 -2.881 1.00 0.00 C ATOM 200 O CYS A 12 117.679 -5.843 -2.412 1.00 0.00 O ATOM 201 CB CYS A 12 118.639 -4.345 -5.119 1.00 0.00 C ATOM 202 SG CYS A 12 119.399 -5.918 -5.586 1.00 0.00 S ATOM 0 H CYS A 12 116.925 -2.583 -5.140 1.00 0.00 H new ATOM 0 HA CYS A 12 116.778 -5.357 -4.747 1.00 0.00 H new ATOM 0 HB2 CYS A 12 118.469 -3.755 -6.019 1.00 0.00 H new ATOM 0 HB3 CYS A 12 119.339 -3.785 -4.499 1.00 0.00 H new ATOM 0 HG CYS A 12 119.384 -6.726 -4.568 1.00 0.00 H new ATOM 208 N ALA A 13 117.721 -3.609 -2.149 1.00 0.00 N ATOM 209 CA ALA A 13 117.994 -3.671 -0.720 1.00 0.00 C ATOM 210 C ALA A 13 116.872 -4.383 0.034 1.00 0.00 C ATOM 211 O ALA A 13 117.127 -5.093 1.007 1.00 0.00 O ATOM 212 CB ALA A 13 118.204 -2.265 -0.171 1.00 0.00 C ATOM 0 H ALA A 13 117.643 -2.663 -2.522 1.00 0.00 H new ATOM 0 HA ALA A 13 118.905 -4.251 -0.572 1.00 0.00 H new ATOM 0 HB1 ALA A 13 118.408 -2.319 0.898 1.00 0.00 H new ATOM 0 HB2 ALA A 13 119.049 -1.799 -0.678 1.00 0.00 H new ATOM 0 HB3 ALA A 13 117.306 -1.671 -0.340 1.00 0.00 H new ATOM 218 N VAL A 14 115.633 -4.202 -0.415 1.00 0.00 N ATOM 219 CA VAL A 14 114.494 -4.837 0.240 1.00 0.00 C ATOM 220 C VAL A 14 114.634 -6.356 0.263 1.00 0.00 C ATOM 221 O VAL A 14 114.239 -7.007 1.230 1.00 0.00 O ATOM 222 CB VAL A 14 113.162 -4.460 -0.434 1.00 0.00 C ATOM 223 CG1 VAL A 14 113.040 -2.951 -0.566 1.00 0.00 C ATOM 224 CG2 VAL A 14 113.030 -5.132 -1.793 1.00 0.00 C ATOM 0 H VAL A 14 115.393 -3.626 -1.222 1.00 0.00 H new ATOM 0 HA VAL A 14 114.486 -4.466 1.265 1.00 0.00 H new ATOM 0 HB VAL A 14 112.349 -4.817 0.198 1.00 0.00 H new ATOM 0 HG11 VAL A 14 112.093 -2.703 -1.044 1.00 0.00 H new ATOM 0 HG12 VAL A 14 113.077 -2.495 0.423 1.00 0.00 H new ATOM 0 HG13 VAL A 14 113.863 -2.571 -1.172 1.00 0.00 H new ATOM 0 HG21 VAL A 14 112.081 -4.849 -2.248 1.00 0.00 H new ATOM 0 HG22 VAL A 14 113.850 -4.814 -2.437 1.00 0.00 H new ATOM 0 HG23 VAL A 14 113.065 -6.214 -1.669 1.00 0.00 H new ATOM 234 N GLN A 15 115.216 -6.914 -0.791 1.00 0.00 N ATOM 235 CA GLN A 15 115.420 -8.353 -0.873 1.00 0.00 C ATOM 236 C GLN A 15 116.298 -8.796 0.279 1.00 0.00 C ATOM 237 O GLN A 15 116.034 -9.802 0.935 1.00 0.00 O ATOM 238 CB GLN A 15 116.065 -8.730 -2.208 1.00 0.00 C ATOM 239 CG GLN A 15 115.352 -8.143 -3.415 1.00 0.00 C ATOM 240 CD GLN A 15 114.446 -9.146 -4.103 1.00 0.00 C ATOM 241 OE1 GLN A 15 113.896 -10.043 -3.464 1.00 0.00 O ATOM 242 NE2 GLN A 15 114.286 -8.999 -5.413 1.00 0.00 N ATOM 0 H GLN A 15 115.554 -6.392 -1.599 1.00 0.00 H new ATOM 0 HA GLN A 15 114.455 -8.857 -0.811 1.00 0.00 H new ATOM 0 HB2 GLN A 15 117.102 -8.393 -2.209 1.00 0.00 H new ATOM 0 HB3 GLN A 15 116.083 -9.816 -2.300 1.00 0.00 H new ATOM 0 HG2 GLN A 15 114.762 -7.282 -3.100 1.00 0.00 H new ATOM 0 HG3 GLN A 15 116.092 -7.779 -4.128 1.00 0.00 H new ATOM 0 HE21 GLN A 15 114.761 -8.241 -5.903 1.00 0.00 H new ATOM 0 HE22 GLN A 15 113.688 -9.644 -5.929 1.00 0.00 H new ATOM 251 N ALA A 16 117.328 -8.008 0.539 1.00 0.00 N ATOM 252 CA ALA A 16 118.234 -8.281 1.632 1.00 0.00 C ATOM 253 C ALA A 16 117.517 -8.040 2.946 1.00 0.00 C ATOM 254 O ALA A 16 117.775 -8.713 3.944 1.00 0.00 O ATOM 255 CB ALA A 16 119.460 -7.404 1.512 1.00 0.00 C ATOM 0 H ALA A 16 117.555 -7.171 0.002 1.00 0.00 H new ATOM 0 HA ALA A 16 118.558 -9.321 1.597 1.00 0.00 H new ATOM 0 HB1 ALA A 16 120.140 -7.614 2.338 1.00 0.00 H new ATOM 0 HB2 ALA A 16 119.963 -7.609 0.567 1.00 0.00 H new ATOM 0 HB3 ALA A 16 119.162 -6.356 1.544 1.00 0.00 H new ATOM 261 N LEU A 17 116.581 -7.092 2.926 1.00 0.00 N ATOM 262 CA LEU A 17 115.796 -6.790 4.107 1.00 0.00 C ATOM 263 C LEU A 17 115.036 -8.038 4.515 1.00 0.00 C ATOM 264 O LEU A 17 114.816 -8.291 5.699 1.00 0.00 O ATOM 265 CB LEU A 17 114.824 -5.640 3.832 1.00 0.00 C ATOM 266 CG LEU A 17 114.882 -4.488 4.837 1.00 0.00 C ATOM 267 CD1 LEU A 17 113.868 -3.414 4.476 1.00 0.00 C ATOM 268 CD2 LEU A 17 114.638 -5.000 6.249 1.00 0.00 C ATOM 0 H LEU A 17 116.354 -6.527 2.108 1.00 0.00 H new ATOM 0 HA LEU A 17 116.458 -6.479 4.915 1.00 0.00 H new ATOM 0 HB2 LEU A 17 115.026 -5.244 2.837 1.00 0.00 H new ATOM 0 HB3 LEU A 17 113.809 -6.038 3.817 1.00 0.00 H new ATOM 0 HG LEU A 17 115.878 -4.047 4.798 1.00 0.00 H new ATOM 0 HD11 LEU A 17 113.923 -2.603 5.202 1.00 0.00 H new ATOM 0 HD12 LEU A 17 114.087 -3.027 3.481 1.00 0.00 H new ATOM 0 HD13 LEU A 17 112.866 -3.842 4.486 1.00 0.00 H new ATOM 0 HD21 LEU A 17 114.683 -4.167 6.951 1.00 0.00 H new ATOM 0 HD22 LEU A 17 113.654 -5.467 6.302 1.00 0.00 H new ATOM 0 HD23 LEU A 17 115.402 -5.734 6.507 1.00 0.00 H new ATOM 280 N TYR A 18 114.665 -8.836 3.515 1.00 0.00 N ATOM 281 CA TYR A 18 113.959 -10.085 3.771 1.00 0.00 C ATOM 282 C TYR A 18 114.880 -11.046 4.510 1.00 0.00 C ATOM 283 O TYR A 18 114.471 -11.734 5.445 1.00 0.00 O ATOM 284 CB TYR A 18 113.499 -10.717 2.460 1.00 0.00 C ATOM 285 CG TYR A 18 113.315 -12.216 2.540 1.00 0.00 C ATOM 286 CD1 TYR A 18 114.409 -13.071 2.497 1.00 0.00 C ATOM 287 CD2 TYR A 18 112.050 -12.776 2.658 1.00 0.00 C ATOM 288 CE1 TYR A 18 114.246 -14.442 2.570 1.00 0.00 C ATOM 289 CE2 TYR A 18 111.878 -14.145 2.732 1.00 0.00 C ATOM 290 CZ TYR A 18 112.979 -14.973 2.687 1.00 0.00 C ATOM 291 OH TYR A 18 112.813 -16.338 2.761 1.00 0.00 O ATOM 0 H TYR A 18 114.841 -8.640 2.529 1.00 0.00 H new ATOM 0 HA TYR A 18 113.081 -9.875 4.383 1.00 0.00 H new ATOM 0 HB2 TYR A 18 112.557 -10.260 2.157 1.00 0.00 H new ATOM 0 HB3 TYR A 18 114.228 -10.490 1.682 1.00 0.00 H new ATOM 0 HD1 TYR A 18 115.403 -12.658 2.405 1.00 0.00 H new ATOM 0 HD2 TYR A 18 111.185 -12.130 2.693 1.00 0.00 H new ATOM 0 HE1 TYR A 18 115.107 -15.094 2.536 1.00 0.00 H new ATOM 0 HE2 TYR A 18 110.887 -14.564 2.825 1.00 0.00 H new ATOM 0 HH TYR A 18 111.859 -16.548 2.842 1.00 0.00 H new ATOM 301 N SER A 19 116.134 -11.068 4.077 1.00 0.00 N ATOM 302 CA SER A 19 117.152 -11.920 4.681 1.00 0.00 C ATOM 303 C SER A 19 117.438 -11.485 6.113 1.00 0.00 C ATOM 304 O SER A 19 117.789 -12.301 6.965 1.00 0.00 O ATOM 305 CB SER A 19 118.439 -11.878 3.855 1.00 0.00 C ATOM 306 OG SER A 19 118.216 -12.348 2.536 1.00 0.00 O ATOM 0 H SER A 19 116.474 -10.499 3.301 1.00 0.00 H new ATOM 0 HA SER A 19 116.775 -12.943 4.697 1.00 0.00 H new ATOM 0 HB2 SER A 19 118.819 -10.857 3.821 1.00 0.00 H new ATOM 0 HB3 SER A 19 119.204 -12.487 4.337 1.00 0.00 H new ATOM 0 HG SER A 19 119.054 -12.309 2.029 1.00 0.00 H new ATOM 312 N TRP A 20 117.289 -10.190 6.367 1.00 0.00 N ATOM 313 CA TRP A 20 117.534 -9.628 7.691 1.00 0.00 C ATOM 314 C TRP A 20 116.622 -10.266 8.728 1.00 0.00 C ATOM 315 O TRP A 20 117.072 -10.697 9.790 1.00 0.00 O ATOM 316 CB TRP A 20 117.288 -8.121 7.661 1.00 0.00 C ATOM 317 CG TRP A 20 117.868 -7.387 8.832 1.00 0.00 C ATOM 318 CD1 TRP A 20 118.970 -7.736 9.557 1.00 0.00 C ATOM 319 CD2 TRP A 20 117.371 -6.176 9.411 1.00 0.00 C ATOM 320 NE1 TRP A 20 119.189 -6.814 10.553 1.00 0.00 N ATOM 321 CE2 TRP A 20 118.220 -5.846 10.484 1.00 0.00 C ATOM 322 CE3 TRP A 20 116.289 -5.339 9.126 1.00 0.00 C ATOM 323 CZ2 TRP A 20 118.020 -4.712 11.270 1.00 0.00 C ATOM 324 CZ3 TRP A 20 116.091 -4.215 9.907 1.00 0.00 C ATOM 325 CH2 TRP A 20 116.953 -3.911 10.968 1.00 0.00 C ATOM 0 H TRP A 20 116.998 -9.505 5.669 1.00 0.00 H new ATOM 0 HA TRP A 20 118.569 -9.831 7.965 1.00 0.00 H new ATOM 0 HB2 TRP A 20 117.710 -7.712 6.743 1.00 0.00 H new ATOM 0 HB3 TRP A 20 116.214 -7.939 7.626 1.00 0.00 H new ATOM 0 HD1 TRP A 20 119.580 -8.608 9.375 1.00 0.00 H new ATOM 0 HE1 TRP A 20 119.949 -6.845 11.233 1.00 0.00 H new ATOM 0 HE3 TRP A 20 115.619 -5.566 8.310 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 118.684 -4.474 12.088 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 115.258 -3.561 9.695 1.00 0.00 H new ATOM 0 HH2 TRP A 20 116.772 -3.026 11.560 1.00 0.00 H new ATOM 336 N GLN A 21 115.336 -10.319 8.413 1.00 0.00 N ATOM 337 CA GLN A 21 114.350 -10.900 9.315 1.00 0.00 C ATOM 338 C GLN A 21 114.726 -12.331 9.692 1.00 0.00 C ATOM 339 O GLN A 21 114.735 -12.691 10.869 1.00 0.00 O ATOM 340 CB GLN A 21 112.964 -10.879 8.668 1.00 0.00 C ATOM 341 CG GLN A 21 112.062 -12.015 9.125 1.00 0.00 C ATOM 342 CD GLN A 21 110.606 -11.603 9.210 1.00 0.00 C ATOM 343 OE1 GLN A 21 110.281 -10.530 9.715 1.00 0.00 O ATOM 344 NE2 GLN A 21 109.719 -12.459 8.713 1.00 0.00 N ATOM 0 H GLN A 21 114.949 -9.966 7.538 1.00 0.00 H new ATOM 0 HA GLN A 21 114.331 -10.300 10.225 1.00 0.00 H new ATOM 0 HB2 GLN A 21 112.481 -9.929 8.895 1.00 0.00 H new ATOM 0 HB3 GLN A 21 113.077 -10.929 7.585 1.00 0.00 H new ATOM 0 HG2 GLN A 21 112.159 -12.852 8.434 1.00 0.00 H new ATOM 0 HG3 GLN A 21 112.394 -12.368 10.102 1.00 0.00 H new ATOM 0 HE21 GLN A 21 110.033 -13.338 8.303 1.00 0.00 H new ATOM 0 HE22 GLN A 21 108.724 -12.236 8.742 1.00 0.00 H new ATOM 353 N LEU A 22 115.029 -13.146 8.685 1.00 0.00 N ATOM 354 CA LEU A 22 115.398 -14.539 8.913 1.00 0.00 C ATOM 355 C LEU A 22 116.845 -14.667 9.386 1.00 0.00 C ATOM 356 O LEU A 22 117.127 -15.349 10.371 1.00 0.00 O ATOM 357 CB LEU A 22 115.197 -15.354 7.635 1.00 0.00 C ATOM 358 CG LEU A 22 113.760 -15.397 7.113 1.00 0.00 C ATOM 359 CD1 LEU A 22 113.739 -15.769 5.638 1.00 0.00 C ATOM 360 CD2 LEU A 22 112.928 -16.377 7.924 1.00 0.00 C ATOM 0 H LEU A 22 115.026 -12.866 7.704 1.00 0.00 H new ATOM 0 HA LEU A 22 114.750 -14.928 9.699 1.00 0.00 H new ATOM 0 HB2 LEU A 22 115.838 -14.943 6.855 1.00 0.00 H new ATOM 0 HB3 LEU A 22 115.532 -16.375 7.817 1.00 0.00 H new ATOM 0 HG LEU A 22 113.324 -14.404 7.222 1.00 0.00 H new ATOM 0 HD11 LEU A 22 112.708 -15.795 5.284 1.00 0.00 H new ATOM 0 HD12 LEU A 22 114.300 -15.029 5.068 1.00 0.00 H new ATOM 0 HD13 LEU A 22 114.193 -16.751 5.504 1.00 0.00 H new ATOM 0 HD21 LEU A 22 111.909 -16.395 7.539 1.00 0.00 H new ATOM 0 HD22 LEU A 22 113.362 -17.374 7.847 1.00 0.00 H new ATOM 0 HD23 LEU A 22 112.916 -16.066 8.969 1.00 0.00 H new ATOM 372 N SER A 23 117.758 -14.013 8.674 1.00 0.00 N ATOM 373 CA SER A 23 119.175 -14.062 9.017 1.00 0.00 C ATOM 374 C SER A 23 119.449 -13.361 10.344 1.00 0.00 C ATOM 375 O SER A 23 120.126 -13.905 11.216 1.00 0.00 O ATOM 376 CB SER A 23 120.010 -13.420 7.909 1.00 0.00 C ATOM 377 OG SER A 23 121.330 -13.936 7.900 1.00 0.00 O ATOM 0 H SER A 23 117.542 -13.443 7.856 1.00 0.00 H new ATOM 0 HA SER A 23 119.457 -15.110 9.120 1.00 0.00 H new ATOM 0 HB2 SER A 23 119.539 -13.601 6.943 1.00 0.00 H new ATOM 0 HB3 SER A 23 120.040 -12.340 8.051 1.00 0.00 H new ATOM 0 HG SER A 23 121.843 -13.511 7.181 1.00 0.00 H new ATOM 383 N GLN A 24 118.918 -12.154 10.493 1.00 0.00 N ATOM 384 CA GLN A 24 119.105 -11.381 11.716 1.00 0.00 C ATOM 385 C GLN A 24 120.555 -10.925 11.861 1.00 0.00 C ATOM 386 O GLN A 24 120.948 -10.407 12.907 1.00 0.00 O ATOM 387 CB GLN A 24 118.696 -12.211 12.934 1.00 0.00 C ATOM 388 CG GLN A 24 117.763 -11.479 13.885 1.00 0.00 C ATOM 389 CD GLN A 24 117.187 -12.388 14.951 1.00 0.00 C ATOM 390 OE1 GLN A 24 117.674 -12.427 16.081 1.00 0.00 O ATOM 391 NE2 GLN A 24 116.142 -13.128 14.597 1.00 0.00 N ATOM 0 H GLN A 24 118.354 -11.688 9.782 1.00 0.00 H new ATOM 0 HA GLN A 24 118.471 -10.496 11.655 1.00 0.00 H new ATOM 0 HB2 GLN A 24 118.210 -13.125 12.593 1.00 0.00 H new ATOM 0 HB3 GLN A 24 119.593 -12.510 13.477 1.00 0.00 H new ATOM 0 HG2 GLN A 24 118.305 -10.663 14.363 1.00 0.00 H new ATOM 0 HG3 GLN A 24 116.948 -11.031 13.316 1.00 0.00 H new ATOM 0 HE21 GLN A 24 115.770 -13.065 13.649 1.00 0.00 H new ATOM 0 HE22 GLN A 24 115.712 -13.759 15.273 1.00 0.00 H new ATOM 400 N ASN A 25 121.345 -11.117 10.810 1.00 0.00 N ATOM 401 CA ASN A 25 122.750 -10.721 10.827 1.00 0.00 C ATOM 402 C ASN A 25 122.887 -9.240 11.163 1.00 0.00 C ATOM 403 O ASN A 25 122.002 -8.654 11.786 1.00 0.00 O ATOM 404 CB ASN A 25 123.401 -11.012 9.472 1.00 0.00 C ATOM 405 CG ASN A 25 124.859 -11.405 9.604 1.00 0.00 C ATOM 406 OD1 ASN A 25 125.219 -12.229 10.445 1.00 0.00 O ATOM 407 ND2 ASN A 25 125.708 -10.813 8.772 1.00 0.00 N ATOM 0 H ASN A 25 121.037 -11.544 9.936 1.00 0.00 H new ATOM 0 HA ASN A 25 123.259 -11.301 11.597 1.00 0.00 H new ATOM 0 HB2 ASN A 25 122.855 -11.814 8.974 1.00 0.00 H new ATOM 0 HB3 ASN A 25 123.321 -10.130 8.837 1.00 0.00 H new ATOM 0 HD21 ASN A 25 126.703 -11.036 8.815 1.00 0.00 H new ATOM 0 HD22 ASN A 25 125.366 -10.136 8.090 1.00 0.00 H new ATOM 414 N ASP A 26 123.996 -8.635 10.744 1.00 0.00 N ATOM 415 CA ASP A 26 124.235 -7.219 11.003 1.00 0.00 C ATOM 416 C ASP A 26 122.977 -6.407 10.704 1.00 0.00 C ATOM 417 O ASP A 26 122.064 -6.347 11.528 1.00 0.00 O ATOM 418 CB ASP A 26 125.411 -6.714 10.165 1.00 0.00 C ATOM 419 CG ASP A 26 126.743 -7.240 10.662 1.00 0.00 C ATOM 420 OD1 ASP A 26 126.885 -7.432 11.888 1.00 0.00 O ATOM 421 OD2 ASP A 26 127.643 -7.460 9.825 1.00 0.00 O ATOM 0 H ASP A 26 124.740 -9.102 10.226 1.00 0.00 H new ATOM 0 HA ASP A 26 124.485 -7.095 12.057 1.00 0.00 H new ATOM 0 HB2 ASP A 26 125.269 -7.015 9.127 1.00 0.00 H new ATOM 0 HB3 ASP A 26 125.424 -5.624 10.182 1.00 0.00 H new ATOM 426 N ILE A 27 122.922 -5.799 9.517 1.00 0.00 N ATOM 427 CA ILE A 27 121.761 -5.011 9.116 1.00 0.00 C ATOM 428 C ILE A 27 122.124 -3.934 8.102 1.00 0.00 C ATOM 429 O ILE A 27 121.657 -3.961 6.963 1.00 0.00 O ATOM 430 CB ILE A 27 121.074 -4.341 10.324 1.00 0.00 C ATOM 431 CG1 ILE A 27 120.133 -3.231 9.853 1.00 0.00 C ATOM 432 CG2 ILE A 27 122.114 -3.787 11.286 1.00 0.00 C ATOM 433 CD1 ILE A 27 119.253 -3.632 8.689 1.00 0.00 C ATOM 0 H ILE A 27 123.666 -5.839 8.821 1.00 0.00 H new ATOM 0 HA ILE A 27 121.070 -5.717 8.656 1.00 0.00 H new ATOM 0 HB ILE A 27 120.485 -5.093 10.850 1.00 0.00 H new ATOM 0 HG12 ILE A 27 119.501 -2.925 10.686 1.00 0.00 H new ATOM 0 HG13 ILE A 27 120.725 -2.362 9.567 1.00 0.00 H new ATOM 0 HG21 ILE A 27 121.613 -3.318 12.133 1.00 0.00 H new ATOM 0 HG22 ILE A 27 122.748 -4.599 11.644 1.00 0.00 H new ATOM 0 HG23 ILE A 27 122.728 -3.047 10.772 1.00 0.00 H new ATOM 0 HD11 ILE A 27 118.613 -2.794 8.411 1.00 0.00 H new ATOM 0 HD12 ILE A 27 119.877 -3.910 7.840 1.00 0.00 H new ATOM 0 HD13 ILE A 27 118.634 -4.481 8.977 1.00 0.00 H new ATOM 445 N ALA A 28 122.950 -2.981 8.510 1.00 0.00 N ATOM 446 CA ALA A 28 123.350 -1.909 7.613 1.00 0.00 C ATOM 447 C ALA A 28 124.116 -2.468 6.424 1.00 0.00 C ATOM 448 O ALA A 28 123.769 -2.219 5.270 1.00 0.00 O ATOM 449 CB ALA A 28 124.193 -0.883 8.356 1.00 0.00 C ATOM 0 H ALA A 28 123.352 -2.929 9.446 1.00 0.00 H new ATOM 0 HA ALA A 28 122.452 -1.415 7.242 1.00 0.00 H new ATOM 0 HB1 ALA A 28 124.485 -0.087 7.671 1.00 0.00 H new ATOM 0 HB2 ALA A 28 123.613 -0.461 9.177 1.00 0.00 H new ATOM 0 HB3 ALA A 28 125.086 -1.365 8.753 1.00 0.00 H new ATOM 455 N ASP A 29 125.161 -3.229 6.720 1.00 0.00 N ATOM 456 CA ASP A 29 125.986 -3.838 5.688 1.00 0.00 C ATOM 457 C ASP A 29 125.292 -5.023 5.016 1.00 0.00 C ATOM 458 O ASP A 29 125.460 -5.245 3.820 1.00 0.00 O ATOM 459 CB ASP A 29 127.320 -4.292 6.283 1.00 0.00 C ATOM 460 CG ASP A 29 127.167 -5.489 7.201 1.00 0.00 C ATOM 461 OD1 ASP A 29 126.048 -5.702 7.713 1.00 0.00 O ATOM 462 OD2 ASP A 29 128.164 -6.211 7.406 1.00 0.00 O ATOM 0 H ASP A 29 125.458 -3.440 7.673 1.00 0.00 H new ATOM 0 HA ASP A 29 126.159 -3.080 4.924 1.00 0.00 H new ATOM 0 HB2 ASP A 29 128.008 -4.543 5.476 1.00 0.00 H new ATOM 0 HB3 ASP A 29 127.767 -3.467 6.838 1.00 0.00 H new ATOM 467 N VAL A 30 124.548 -5.806 5.799 1.00 0.00 N ATOM 468 CA VAL A 30 123.881 -7.000 5.273 1.00 0.00 C ATOM 469 C VAL A 30 122.883 -6.704 4.161 1.00 0.00 C ATOM 470 O VAL A 30 122.936 -7.326 3.099 1.00 0.00 O ATOM 471 CB VAL A 30 123.130 -7.775 6.377 1.00 0.00 C ATOM 472 CG1 VAL A 30 121.925 -6.991 6.862 1.00 0.00 C ATOM 473 CG2 VAL A 30 122.701 -9.143 5.863 1.00 0.00 C ATOM 0 H VAL A 30 124.392 -5.637 6.793 1.00 0.00 H new ATOM 0 HA VAL A 30 124.694 -7.601 4.866 1.00 0.00 H new ATOM 0 HB VAL A 30 123.808 -7.914 7.219 1.00 0.00 H new ATOM 0 HG11 VAL A 30 121.412 -7.557 7.639 1.00 0.00 H new ATOM 0 HG12 VAL A 30 122.253 -6.033 7.267 1.00 0.00 H new ATOM 0 HG13 VAL A 30 121.244 -6.819 6.029 1.00 0.00 H new ATOM 0 HG21 VAL A 30 122.173 -9.679 6.652 1.00 0.00 H new ATOM 0 HG22 VAL A 30 122.041 -9.019 5.004 1.00 0.00 H new ATOM 0 HG23 VAL A 30 123.581 -9.712 5.565 1.00 0.00 H new ATOM 483 N GLU A 31 121.959 -5.784 4.399 1.00 0.00 N ATOM 484 CA GLU A 31 120.952 -5.479 3.420 1.00 0.00 C ATOM 485 C GLU A 31 121.571 -5.109 2.078 1.00 0.00 C ATOM 486 O GLU A 31 121.239 -5.682 1.043 1.00 0.00 O ATOM 487 CB GLU A 31 120.077 -4.338 3.933 1.00 0.00 C ATOM 488 CG GLU A 31 119.289 -3.663 2.838 1.00 0.00 C ATOM 489 CD GLU A 31 117.791 -3.727 3.064 1.00 0.00 C ATOM 490 OE1 GLU A 31 117.296 -4.801 3.463 1.00 0.00 O ATOM 491 OE2 GLU A 31 117.113 -2.702 2.840 1.00 0.00 O ATOM 0 H GLU A 31 121.894 -5.243 5.261 1.00 0.00 H new ATOM 0 HA GLU A 31 120.342 -6.369 3.264 1.00 0.00 H new ATOM 0 HB2 GLU A 31 119.388 -4.725 4.684 1.00 0.00 H new ATOM 0 HB3 GLU A 31 120.706 -3.599 4.429 1.00 0.00 H new ATOM 0 HG2 GLU A 31 119.596 -2.620 2.766 1.00 0.00 H new ATOM 0 HG3 GLU A 31 119.528 -4.132 1.883 1.00 0.00 H new ATOM 498 N TYR A 32 122.460 -4.142 2.099 1.00 0.00 N ATOM 499 CA TYR A 32 123.112 -3.686 0.886 1.00 0.00 C ATOM 500 C TYR A 32 124.100 -4.710 0.330 1.00 0.00 C ATOM 501 O TYR A 32 124.411 -4.681 -0.850 1.00 0.00 O ATOM 502 CB TYR A 32 123.757 -2.327 1.116 1.00 0.00 C ATOM 503 CG TYR A 32 122.719 -1.233 1.231 1.00 0.00 C ATOM 504 CD1 TYR A 32 122.262 -0.559 0.105 1.00 0.00 C ATOM 505 CD2 TYR A 32 122.177 -0.889 2.461 1.00 0.00 C ATOM 506 CE1 TYR A 32 121.297 0.426 0.207 1.00 0.00 C ATOM 507 CE2 TYR A 32 121.218 0.097 2.567 1.00 0.00 C ATOM 508 CZ TYR A 32 120.781 0.749 1.438 1.00 0.00 C ATOM 509 OH TYR A 32 119.819 1.729 1.542 1.00 0.00 O ATOM 0 H TYR A 32 122.751 -3.652 2.945 1.00 0.00 H new ATOM 0 HA TYR A 32 122.347 -3.573 0.118 1.00 0.00 H new ATOM 0 HB2 TYR A 32 124.357 -2.357 2.025 1.00 0.00 H new ATOM 0 HB3 TYR A 32 124.435 -2.101 0.293 1.00 0.00 H new ATOM 0 HD1 TYR A 32 122.667 -0.808 -0.865 1.00 0.00 H new ATOM 0 HD2 TYR A 32 122.512 -1.402 3.351 1.00 0.00 H new ATOM 0 HE1 TYR A 32 120.950 0.939 -0.678 1.00 0.00 H new ATOM 0 HE2 TYR A 32 120.812 0.356 3.534 1.00 0.00 H new ATOM 0 HH TYR A 32 118.930 1.325 1.456 1.00 0.00 H new ATOM 519 N GLN A 33 124.600 -5.607 1.171 1.00 0.00 N ATOM 520 CA GLN A 33 125.556 -6.620 0.714 1.00 0.00 C ATOM 521 C GLN A 33 124.945 -7.525 -0.357 1.00 0.00 C ATOM 522 O GLN A 33 125.656 -8.098 -1.183 1.00 0.00 O ATOM 523 CB GLN A 33 126.041 -7.476 1.886 1.00 0.00 C ATOM 524 CG GLN A 33 125.091 -8.606 2.247 1.00 0.00 C ATOM 525 CD GLN A 33 125.608 -9.963 1.812 1.00 0.00 C ATOM 526 OE1 GLN A 33 126.729 -10.349 2.142 1.00 0.00 O ATOM 527 NE2 GLN A 33 124.791 -10.696 1.065 1.00 0.00 N ATOM 0 H GLN A 33 124.366 -5.658 2.162 1.00 0.00 H new ATOM 0 HA GLN A 33 126.403 -6.090 0.279 1.00 0.00 H new ATOM 0 HB2 GLN A 33 127.016 -7.897 1.639 1.00 0.00 H new ATOM 0 HB3 GLN A 33 126.181 -6.837 2.758 1.00 0.00 H new ATOM 0 HG2 GLN A 33 124.931 -8.611 3.325 1.00 0.00 H new ATOM 0 HG3 GLN A 33 124.122 -8.424 1.782 1.00 0.00 H new ATOM 0 HE21 GLN A 33 123.870 -10.337 0.814 1.00 0.00 H new ATOM 0 HE22 GLN A 33 125.085 -11.618 0.742 1.00 0.00 H new ATOM 536 N PHE A 34 123.627 -7.681 -0.307 1.00 0.00 N ATOM 537 CA PHE A 34 122.904 -8.552 -1.233 1.00 0.00 C ATOM 538 C PHE A 34 123.138 -8.213 -2.709 1.00 0.00 C ATOM 539 O PHE A 34 123.441 -9.101 -3.505 1.00 0.00 O ATOM 540 CB PHE A 34 121.409 -8.480 -0.923 1.00 0.00 C ATOM 541 CG PHE A 34 120.535 -9.045 -2.004 1.00 0.00 C ATOM 542 CD1 PHE A 34 120.422 -8.398 -3.220 1.00 0.00 C ATOM 543 CD2 PHE A 34 119.823 -10.217 -1.802 1.00 0.00 C ATOM 544 CE1 PHE A 34 119.618 -8.906 -4.221 1.00 0.00 C ATOM 545 CE2 PHE A 34 119.017 -10.733 -2.799 1.00 0.00 C ATOM 546 CZ PHE A 34 118.914 -10.076 -4.011 1.00 0.00 C ATOM 0 H PHE A 34 123.029 -7.210 0.373 1.00 0.00 H new ATOM 0 HA PHE A 34 123.290 -9.560 -1.085 1.00 0.00 H new ATOM 0 HB2 PHE A 34 121.214 -9.017 0.005 1.00 0.00 H new ATOM 0 HB3 PHE A 34 121.133 -7.439 -0.753 1.00 0.00 H new ATOM 0 HD1 PHE A 34 120.970 -7.483 -3.390 1.00 0.00 H new ATOM 0 HD2 PHE A 34 119.899 -10.732 -0.856 1.00 0.00 H new ATOM 0 HE1 PHE A 34 119.540 -8.390 -5.166 1.00 0.00 H new ATOM 0 HE2 PHE A 34 118.468 -11.648 -2.632 1.00 0.00 H new ATOM 0 HZ PHE A 34 118.285 -10.476 -4.792 1.00 0.00 H new ATOM 556 N LEU A 35 122.962 -6.953 -3.085 1.00 0.00 N ATOM 557 CA LEU A 35 123.123 -6.558 -4.486 1.00 0.00 C ATOM 558 C LEU A 35 124.567 -6.712 -4.967 1.00 0.00 C ATOM 559 O LEU A 35 124.826 -6.722 -6.170 1.00 0.00 O ATOM 560 CB LEU A 35 122.587 -5.135 -4.746 1.00 0.00 C ATOM 561 CG LEU A 35 123.239 -3.995 -3.960 1.00 0.00 C ATOM 562 CD1 LEU A 35 122.294 -3.468 -2.889 1.00 0.00 C ATOM 563 CD2 LEU A 35 124.533 -4.458 -3.338 1.00 0.00 C ATOM 0 H LEU A 35 122.711 -6.193 -2.452 1.00 0.00 H new ATOM 0 HA LEU A 35 122.517 -7.246 -5.076 1.00 0.00 H new ATOM 0 HB2 LEU A 35 122.697 -4.920 -5.809 1.00 0.00 H new ATOM 0 HB3 LEU A 35 121.519 -5.130 -4.528 1.00 0.00 H new ATOM 0 HG LEU A 35 123.457 -3.183 -4.653 1.00 0.00 H new ATOM 0 HD11 LEU A 35 122.778 -2.658 -2.343 1.00 0.00 H new ATOM 0 HD12 LEU A 35 121.384 -3.095 -3.358 1.00 0.00 H new ATOM 0 HD13 LEU A 35 122.043 -4.272 -2.198 1.00 0.00 H new ATOM 0 HD21 LEU A 35 124.984 -3.636 -2.783 1.00 0.00 H new ATOM 0 HD22 LEU A 35 124.334 -5.288 -2.660 1.00 0.00 H new ATOM 0 HD23 LEU A 35 125.217 -4.785 -4.121 1.00 0.00 H new ATOM 575 N ALA A 36 125.506 -6.834 -4.030 1.00 0.00 N ATOM 576 CA ALA A 36 126.912 -6.986 -4.377 1.00 0.00 C ATOM 577 C ALA A 36 127.152 -8.292 -5.129 1.00 0.00 C ATOM 578 O ALA A 36 128.198 -8.478 -5.751 1.00 0.00 O ATOM 579 CB ALA A 36 127.775 -6.930 -3.125 1.00 0.00 C ATOM 0 H ALA A 36 125.316 -6.830 -3.028 1.00 0.00 H new ATOM 0 HA ALA A 36 127.190 -6.161 -5.033 1.00 0.00 H new ATOM 0 HB1 ALA A 36 128.823 -7.045 -3.400 1.00 0.00 H new ATOM 0 HB2 ALA A 36 127.633 -5.970 -2.628 1.00 0.00 H new ATOM 0 HB3 ALA A 36 127.487 -7.735 -2.448 1.00 0.00 H new ATOM 585 N GLU A 37 126.177 -9.191 -5.067 1.00 0.00 N ATOM 586 CA GLU A 37 126.282 -10.480 -5.742 1.00 0.00 C ATOM 587 C GLU A 37 126.261 -10.304 -7.257 1.00 0.00 C ATOM 588 O GLU A 37 126.660 -11.200 -8.001 1.00 0.00 O ATOM 589 CB GLU A 37 125.140 -11.402 -5.308 1.00 0.00 C ATOM 590 CG GLU A 37 125.232 -11.839 -3.855 1.00 0.00 C ATOM 591 CD GLU A 37 123.935 -12.434 -3.342 1.00 0.00 C ATOM 592 OE1 GLU A 37 123.155 -12.957 -4.166 1.00 0.00 O ATOM 593 OE2 GLU A 37 123.699 -12.377 -2.117 1.00 0.00 O ATOM 0 H GLU A 37 125.305 -9.052 -4.557 1.00 0.00 H new ATOM 0 HA GLU A 37 127.232 -10.933 -5.460 1.00 0.00 H new ATOM 0 HB2 GLU A 37 124.191 -10.890 -5.466 1.00 0.00 H new ATOM 0 HB3 GLU A 37 125.135 -12.286 -5.945 1.00 0.00 H new ATOM 0 HG2 GLU A 37 126.031 -12.573 -3.750 1.00 0.00 H new ATOM 0 HG3 GLU A 37 125.503 -10.982 -3.238 1.00 0.00 H new ATOM 600 N GLN A 38 125.795 -9.143 -7.707 1.00 0.00 N ATOM 601 CA GLN A 38 125.725 -8.848 -9.133 1.00 0.00 C ATOM 602 C GLN A 38 126.884 -7.954 -9.561 1.00 0.00 C ATOM 603 O GLN A 38 127.944 -7.952 -8.934 1.00 0.00 O ATOM 604 CB GLN A 38 124.394 -8.174 -9.470 1.00 0.00 C ATOM 605 CG GLN A 38 123.241 -8.629 -8.591 1.00 0.00 C ATOM 606 CD GLN A 38 121.889 -8.254 -9.162 1.00 0.00 C ATOM 607 OE1 GLN A 38 121.476 -7.096 -9.102 1.00 0.00 O ATOM 608 NE2 GLN A 38 121.189 -9.234 -9.723 1.00 0.00 N ATOM 0 H GLN A 38 125.460 -8.391 -7.104 1.00 0.00 H new ATOM 0 HA GLN A 38 125.796 -9.789 -9.678 1.00 0.00 H new ATOM 0 HB2 GLN A 38 124.509 -7.094 -9.374 1.00 0.00 H new ATOM 0 HB3 GLN A 38 124.147 -8.377 -10.512 1.00 0.00 H new ATOM 0 HG2 GLN A 38 123.290 -9.711 -8.465 1.00 0.00 H new ATOM 0 HG3 GLN A 38 123.348 -8.187 -7.600 1.00 0.00 H new ATOM 0 HE21 GLN A 38 121.569 -10.180 -9.752 1.00 0.00 H new ATOM 0 HE22 GLN A 38 120.272 -9.040 -10.125 1.00 0.00 H new ATOM 617 N ASP A 39 126.676 -7.195 -10.631 1.00 0.00 N ATOM 618 CA ASP A 39 127.705 -6.296 -11.142 1.00 0.00 C ATOM 619 C ASP A 39 127.691 -4.972 -10.387 1.00 0.00 C ATOM 620 O ASP A 39 128.624 -4.175 -10.495 1.00 0.00 O ATOM 621 CB ASP A 39 127.500 -6.046 -12.636 1.00 0.00 C ATOM 622 CG ASP A 39 127.710 -7.297 -13.467 1.00 0.00 C ATOM 623 OD1 ASP A 39 128.789 -7.914 -13.347 1.00 0.00 O ATOM 624 OD2 ASP A 39 126.795 -7.659 -14.236 1.00 0.00 O ATOM 0 H ASP A 39 125.805 -7.184 -11.161 1.00 0.00 H new ATOM 0 HA ASP A 39 128.674 -6.771 -10.992 1.00 0.00 H new ATOM 0 HB2 ASP A 39 126.492 -5.668 -12.803 1.00 0.00 H new ATOM 0 HB3 ASP A 39 128.190 -5.271 -12.970 1.00 0.00 H new ATOM 629 N VAL A 40 126.628 -4.741 -9.623 1.00 0.00 N ATOM 630 CA VAL A 40 126.495 -3.512 -8.850 1.00 0.00 C ATOM 631 C VAL A 40 127.796 -3.175 -8.129 1.00 0.00 C ATOM 632 O VAL A 40 128.062 -2.014 -7.819 1.00 0.00 O ATOM 633 CB VAL A 40 125.361 -3.619 -7.814 1.00 0.00 C ATOM 634 CG1 VAL A 40 124.136 -4.278 -8.428 1.00 0.00 C ATOM 635 CG2 VAL A 40 125.830 -4.385 -6.586 1.00 0.00 C ATOM 0 H VAL A 40 125.847 -5.389 -9.523 1.00 0.00 H new ATOM 0 HA VAL A 40 126.256 -2.718 -9.557 1.00 0.00 H new ATOM 0 HB VAL A 40 125.084 -2.612 -7.501 1.00 0.00 H new ATOM 0 HG11 VAL A 40 123.346 -4.345 -7.680 1.00 0.00 H new ATOM 0 HG12 VAL A 40 123.788 -3.683 -9.272 1.00 0.00 H new ATOM 0 HG13 VAL A 40 124.395 -5.279 -8.772 1.00 0.00 H new ATOM 0 HG21 VAL A 40 125.015 -4.450 -5.865 1.00 0.00 H new ATOM 0 HG22 VAL A 40 126.137 -5.389 -6.879 1.00 0.00 H new ATOM 0 HG23 VAL A 40 126.674 -3.865 -6.133 1.00 0.00 H new ATOM 645 N LYS A 41 128.602 -4.198 -7.866 1.00 0.00 N ATOM 646 CA LYS A 41 129.876 -4.011 -7.182 1.00 0.00 C ATOM 647 C LYS A 41 130.886 -3.320 -8.093 1.00 0.00 C ATOM 648 O LYS A 41 131.856 -2.726 -7.623 1.00 0.00 O ATOM 649 CB LYS A 41 130.430 -5.358 -6.714 1.00 0.00 C ATOM 650 CG LYS A 41 130.584 -5.460 -5.205 1.00 0.00 C ATOM 651 CD LYS A 41 132.048 -5.470 -4.795 1.00 0.00 C ATOM 652 CE LYS A 41 132.202 -5.615 -3.290 1.00 0.00 C ATOM 653 NZ LYS A 41 132.924 -6.865 -2.923 1.00 0.00 N ATOM 0 H LYS A 41 128.396 -5.165 -8.116 1.00 0.00 H new ATOM 0 HA LYS A 41 129.704 -3.376 -6.313 1.00 0.00 H new ATOM 0 HB2 LYS A 41 129.769 -6.153 -7.058 1.00 0.00 H new ATOM 0 HB3 LYS A 41 131.400 -5.525 -7.182 1.00 0.00 H new ATOM 0 HG2 LYS A 41 130.077 -4.621 -4.729 1.00 0.00 H new ATOM 0 HG3 LYS A 41 130.099 -6.369 -4.849 1.00 0.00 H new ATOM 0 HD2 LYS A 41 132.562 -6.291 -5.295 1.00 0.00 H new ATOM 0 HD3 LYS A 41 132.526 -4.547 -5.124 1.00 0.00 H new ATOM 0 HE2 LYS A 41 132.743 -4.755 -2.896 1.00 0.00 H new ATOM 0 HE3 LYS A 41 131.217 -5.614 -2.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 133.008 -6.926 -1.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 132.395 -7.688 -3.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 133.873 -6.855 -3.348 1.00 0.00 H new ATOM 667 N ASP A 42 130.652 -3.402 -9.399 1.00 0.00 N ATOM 668 CA ASP A 42 131.540 -2.785 -10.376 1.00 0.00 C ATOM 669 C ASP A 42 131.261 -1.291 -10.496 1.00 0.00 C ATOM 670 O ASP A 42 132.063 -0.542 -11.056 1.00 0.00 O ATOM 671 CB ASP A 42 131.378 -3.457 -11.741 1.00 0.00 C ATOM 672 CG ASP A 42 132.700 -3.927 -12.314 1.00 0.00 C ATOM 673 OD1 ASP A 42 133.753 -3.425 -11.867 1.00 0.00 O ATOM 674 OD2 ASP A 42 132.683 -4.796 -13.212 1.00 0.00 O ATOM 0 H ASP A 42 129.854 -3.890 -9.805 1.00 0.00 H new ATOM 0 HA ASP A 42 132.566 -2.919 -10.033 1.00 0.00 H new ATOM 0 HB2 ASP A 42 130.703 -4.308 -11.646 1.00 0.00 H new ATOM 0 HB3 ASP A 42 130.913 -2.757 -12.435 1.00 0.00 H new ATOM 679 N VAL A 43 130.119 -0.861 -9.967 1.00 0.00 N ATOM 680 CA VAL A 43 129.736 0.544 -10.015 1.00 0.00 C ATOM 681 C VAL A 43 130.066 1.250 -8.705 1.00 0.00 C ATOM 682 O VAL A 43 131.067 1.961 -8.607 1.00 0.00 O ATOM 683 CB VAL A 43 128.233 0.707 -10.310 1.00 0.00 C ATOM 684 CG1 VAL A 43 128.017 1.631 -11.498 1.00 0.00 C ATOM 685 CG2 VAL A 43 127.586 -0.648 -10.553 1.00 0.00 C ATOM 0 H VAL A 43 129.444 -1.466 -9.500 1.00 0.00 H new ATOM 0 HA VAL A 43 130.308 1.000 -10.823 1.00 0.00 H new ATOM 0 HB VAL A 43 127.758 1.159 -9.439 1.00 0.00 H new ATOM 0 HG11 VAL A 43 126.949 1.733 -11.690 1.00 0.00 H new ATOM 0 HG12 VAL A 43 128.441 2.611 -11.279 1.00 0.00 H new ATOM 0 HG13 VAL A 43 128.506 1.213 -12.378 1.00 0.00 H new ATOM 0 HG21 VAL A 43 126.524 -0.512 -10.760 1.00 0.00 H new ATOM 0 HG22 VAL A 43 128.063 -1.131 -11.406 1.00 0.00 H new ATOM 0 HG23 VAL A 43 127.706 -1.273 -9.668 1.00 0.00 H new ATOM 695 N ASP A 44 129.220 1.049 -7.700 1.00 0.00 N ATOM 696 CA ASP A 44 129.424 1.667 -6.393 1.00 0.00 C ATOM 697 C ASP A 44 128.119 1.718 -5.604 1.00 0.00 C ATOM 698 O ASP A 44 127.183 2.424 -5.979 1.00 0.00 O ATOM 699 CB ASP A 44 129.989 3.079 -6.556 1.00 0.00 C ATOM 700 CG ASP A 44 131.490 3.129 -6.348 1.00 0.00 C ATOM 701 OD1 ASP A 44 132.105 2.051 -6.204 1.00 0.00 O ATOM 702 OD2 ASP A 44 132.050 4.245 -6.329 1.00 0.00 O ATOM 0 H ASP A 44 128.387 0.464 -7.765 1.00 0.00 H new ATOM 0 HA ASP A 44 130.139 1.058 -5.839 1.00 0.00 H new ATOM 0 HB2 ASP A 44 129.751 3.450 -7.553 1.00 0.00 H new ATOM 0 HB3 ASP A 44 129.504 3.746 -5.843 1.00 0.00 H new ATOM 707 N VAL A 45 128.065 0.967 -4.509 1.00 0.00 N ATOM 708 CA VAL A 45 126.876 0.929 -3.666 1.00 0.00 C ATOM 709 C VAL A 45 127.236 1.082 -2.194 1.00 0.00 C ATOM 710 O VAL A 45 126.368 1.007 -1.323 1.00 0.00 O ATOM 711 CB VAL A 45 126.097 -0.384 -3.843 1.00 0.00 C ATOM 712 CG1 VAL A 45 124.793 -0.139 -4.584 1.00 0.00 C ATOM 713 CG2 VAL A 45 126.948 -1.417 -4.569 1.00 0.00 C ATOM 0 H VAL A 45 128.831 0.377 -4.185 1.00 0.00 H new ATOM 0 HA VAL A 45 126.250 1.765 -3.980 1.00 0.00 H new ATOM 0 HB VAL A 45 125.855 -0.776 -2.855 1.00 0.00 H new ATOM 0 HG11 VAL A 45 124.257 -1.081 -4.699 1.00 0.00 H new ATOM 0 HG12 VAL A 45 124.179 0.561 -4.018 1.00 0.00 H new ATOM 0 HG13 VAL A 45 125.007 0.279 -5.568 1.00 0.00 H new ATOM 0 HG21 VAL A 45 126.380 -2.340 -4.685 1.00 0.00 H new ATOM 0 HG22 VAL A 45 127.224 -1.035 -5.552 1.00 0.00 H new ATOM 0 HG23 VAL A 45 127.850 -1.617 -3.991 1.00 0.00 H new ATOM 723 N LEU A 46 128.517 1.298 -1.918 1.00 0.00 N ATOM 724 CA LEU A 46 128.977 1.456 -0.545 1.00 0.00 C ATOM 725 C LEU A 46 128.213 2.577 0.142 1.00 0.00 C ATOM 726 O LEU A 46 127.813 2.452 1.300 1.00 0.00 O ATOM 727 CB LEU A 46 130.478 1.750 -0.516 1.00 0.00 C ATOM 728 CG LEU A 46 131.341 0.805 -1.354 1.00 0.00 C ATOM 729 CD1 LEU A 46 132.630 1.493 -1.776 1.00 0.00 C ATOM 730 CD2 LEU A 46 131.643 -0.469 -0.579 1.00 0.00 C ATOM 0 H LEU A 46 129.251 1.367 -2.623 1.00 0.00 H new ATOM 0 HA LEU A 46 128.792 0.525 -0.010 1.00 0.00 H new ATOM 0 HB2 LEU A 46 130.639 2.770 -0.865 1.00 0.00 H new ATOM 0 HB3 LEU A 46 130.821 1.709 0.518 1.00 0.00 H new ATOM 0 HG LEU A 46 130.786 0.537 -2.253 1.00 0.00 H new ATOM 0 HD11 LEU A 46 133.231 0.806 -2.371 1.00 0.00 H new ATOM 0 HD12 LEU A 46 132.394 2.376 -2.370 1.00 0.00 H new ATOM 0 HD13 LEU A 46 133.190 1.791 -0.890 1.00 0.00 H new ATOM 0 HD21 LEU A 46 132.258 -1.130 -1.190 1.00 0.00 H new ATOM 0 HD22 LEU A 46 132.179 -0.219 0.337 1.00 0.00 H new ATOM 0 HD23 LEU A 46 130.709 -0.972 -0.328 1.00 0.00 H new ATOM 742 N TYR A 47 127.997 3.667 -0.584 1.00 0.00 N ATOM 743 CA TYR A 47 127.262 4.801 -0.045 1.00 0.00 C ATOM 744 C TYR A 47 125.841 4.384 0.315 1.00 0.00 C ATOM 745 O TYR A 47 125.306 4.788 1.347 1.00 0.00 O ATOM 746 CB TYR A 47 127.235 5.948 -1.057 1.00 0.00 C ATOM 747 CG TYR A 47 128.585 6.589 -1.282 1.00 0.00 C ATOM 748 CD1 TYR A 47 129.459 6.095 -2.243 1.00 0.00 C ATOM 749 CD2 TYR A 47 128.987 7.689 -0.534 1.00 0.00 C ATOM 750 CE1 TYR A 47 130.694 6.679 -2.452 1.00 0.00 C ATOM 751 CE2 TYR A 47 130.220 8.278 -0.737 1.00 0.00 C ATOM 752 CZ TYR A 47 131.070 7.770 -1.696 1.00 0.00 C ATOM 753 OH TYR A 47 132.299 8.353 -1.901 1.00 0.00 O ATOM 0 H TYR A 47 128.320 3.788 -1.544 1.00 0.00 H new ATOM 0 HA TYR A 47 127.767 5.145 0.858 1.00 0.00 H new ATOM 0 HB2 TYR A 47 126.857 5.573 -2.008 1.00 0.00 H new ATOM 0 HB3 TYR A 47 126.534 6.708 -0.713 1.00 0.00 H new ATOM 0 HD1 TYR A 47 129.168 5.241 -2.836 1.00 0.00 H new ATOM 0 HD2 TYR A 47 128.324 8.090 0.219 1.00 0.00 H new ATOM 0 HE1 TYR A 47 131.361 6.283 -3.203 1.00 0.00 H new ATOM 0 HE2 TYR A 47 130.517 9.133 -0.147 1.00 0.00 H new ATOM 0 HH TYR A 47 132.408 9.110 -1.288 1.00 0.00 H new ATOM 763 N PHE A 48 125.238 3.560 -0.541 1.00 0.00 N ATOM 764 CA PHE A 48 123.883 3.082 -0.306 1.00 0.00 C ATOM 765 C PHE A 48 123.809 2.297 0.996 1.00 0.00 C ATOM 766 O PHE A 48 122.784 2.294 1.671 1.00 0.00 O ATOM 767 CB PHE A 48 123.385 2.224 -1.478 1.00 0.00 C ATOM 768 CG PHE A 48 122.258 2.869 -2.233 1.00 0.00 C ATOM 769 CD1 PHE A 48 122.289 4.229 -2.498 1.00 0.00 C ATOM 770 CD2 PHE A 48 121.165 2.128 -2.668 1.00 0.00 C ATOM 771 CE1 PHE A 48 121.258 4.841 -3.181 1.00 0.00 C ATOM 772 CE2 PHE A 48 120.132 2.741 -3.353 1.00 0.00 C ATOM 773 CZ PHE A 48 120.179 4.098 -3.608 1.00 0.00 C ATOM 0 H PHE A 48 125.667 3.213 -1.399 1.00 0.00 H new ATOM 0 HA PHE A 48 123.232 3.953 -0.225 1.00 0.00 H new ATOM 0 HB2 PHE A 48 124.213 2.035 -2.161 1.00 0.00 H new ATOM 0 HB3 PHE A 48 123.056 1.256 -1.100 1.00 0.00 H new ATOM 0 HD1 PHE A 48 123.131 4.818 -2.166 1.00 0.00 H new ATOM 0 HD2 PHE A 48 121.123 1.067 -2.470 1.00 0.00 H new ATOM 0 HE1 PHE A 48 121.297 5.902 -3.381 1.00 0.00 H new ATOM 0 HE2 PHE A 48 119.287 2.158 -3.689 1.00 0.00 H new ATOM 0 HZ PHE A 48 119.371 4.576 -4.142 1.00 0.00 H new ATOM 783 N ARG A 49 124.903 1.632 1.347 1.00 0.00 N ATOM 784 CA ARG A 49 124.949 0.839 2.568 1.00 0.00 C ATOM 785 C ARG A 49 124.573 1.681 3.789 1.00 0.00 C ATOM 786 O ARG A 49 123.857 1.218 4.679 1.00 0.00 O ATOM 787 CB ARG A 49 126.346 0.246 2.758 1.00 0.00 C ATOM 788 CG ARG A 49 126.342 -1.255 3.004 1.00 0.00 C ATOM 789 CD ARG A 49 126.627 -2.031 1.727 1.00 0.00 C ATOM 790 NE ARG A 49 128.050 -2.038 1.397 1.00 0.00 N ATOM 791 CZ ARG A 49 128.545 -2.577 0.288 1.00 0.00 C ATOM 792 NH1 ARG A 49 127.735 -3.145 -0.595 1.00 0.00 N ATOM 793 NH2 ARG A 49 129.851 -2.546 0.060 1.00 0.00 N ATOM 0 H ARG A 49 125.767 1.626 0.805 1.00 0.00 H new ATOM 0 HA ARG A 49 124.223 0.032 2.472 1.00 0.00 H new ATOM 0 HB2 ARG A 49 126.945 0.459 1.873 1.00 0.00 H new ATOM 0 HB3 ARG A 49 126.831 0.742 3.599 1.00 0.00 H new ATOM 0 HG2 ARG A 49 127.091 -1.503 3.756 1.00 0.00 H new ATOM 0 HG3 ARG A 49 125.374 -1.556 3.406 1.00 0.00 H new ATOM 0 HD2 ARG A 49 126.276 -3.057 1.840 1.00 0.00 H new ATOM 0 HD3 ARG A 49 126.066 -1.591 0.903 1.00 0.00 H new ATOM 0 HE ARG A 49 128.699 -1.605 2.054 1.00 0.00 H new ATOM 0 HH11 ARG A 49 126.730 -3.169 -0.424 1.00 0.00 H new ATOM 0 HH12 ARG A 49 128.117 -3.558 -1.446 1.00 0.00 H new ATOM 0 HH21 ARG A 49 130.477 -2.108 0.736 1.00 0.00 H new ATOM 0 HH22 ARG A 49 130.230 -2.960 -0.792 1.00 0.00 H new ATOM 807 N GLU A 50 125.055 2.917 3.822 1.00 0.00 N ATOM 808 CA GLU A 50 124.777 3.824 4.933 1.00 0.00 C ATOM 809 C GLU A 50 123.278 4.063 5.115 1.00 0.00 C ATOM 810 O GLU A 50 122.816 4.325 6.226 1.00 0.00 O ATOM 811 CB GLU A 50 125.492 5.159 4.714 1.00 0.00 C ATOM 812 CG GLU A 50 126.923 5.172 5.226 1.00 0.00 C ATOM 813 CD GLU A 50 127.594 6.520 5.042 1.00 0.00 C ATOM 814 OE1 GLU A 50 126.973 7.545 5.396 1.00 0.00 O ATOM 815 OE2 GLU A 50 128.739 6.551 4.546 1.00 0.00 O ATOM 0 H GLU A 50 125.642 3.317 3.090 1.00 0.00 H new ATOM 0 HA GLU A 50 125.151 3.352 5.841 1.00 0.00 H new ATOM 0 HB2 GLU A 50 125.494 5.391 3.649 1.00 0.00 H new ATOM 0 HB3 GLU A 50 124.929 5.949 5.211 1.00 0.00 H new ATOM 0 HG2 GLU A 50 126.929 4.908 6.284 1.00 0.00 H new ATOM 0 HG3 GLU A 50 127.499 4.409 4.703 1.00 0.00 H new ATOM 822 N LEU A 51 122.528 4.000 4.022 1.00 0.00 N ATOM 823 CA LEU A 51 121.086 4.241 4.066 1.00 0.00 C ATOM 824 C LEU A 51 120.364 3.292 5.022 1.00 0.00 C ATOM 825 O LEU A 51 119.433 3.700 5.716 1.00 0.00 O ATOM 826 CB LEU A 51 120.485 4.113 2.665 1.00 0.00 C ATOM 827 CG LEU A 51 120.440 5.411 1.857 1.00 0.00 C ATOM 828 CD1 LEU A 51 120.897 5.166 0.427 1.00 0.00 C ATOM 829 CD2 LEU A 51 119.037 6.000 1.877 1.00 0.00 C ATOM 0 H LEU A 51 122.891 3.784 3.094 1.00 0.00 H new ATOM 0 HA LEU A 51 120.945 5.255 4.440 1.00 0.00 H new ATOM 0 HB2 LEU A 51 121.060 3.375 2.106 1.00 0.00 H new ATOM 0 HB3 LEU A 51 119.471 3.724 2.756 1.00 0.00 H new ATOM 0 HG LEU A 51 121.121 6.127 2.316 1.00 0.00 H new ATOM 0 HD11 LEU A 51 120.858 6.101 -0.133 1.00 0.00 H new ATOM 0 HD12 LEU A 51 121.919 4.788 0.431 1.00 0.00 H new ATOM 0 HD13 LEU A 51 120.241 4.434 -0.044 1.00 0.00 H new ATOM 0 HD21 LEU A 51 119.022 6.923 1.298 1.00 0.00 H new ATOM 0 HD22 LEU A 51 118.337 5.287 1.442 1.00 0.00 H new ATOM 0 HD23 LEU A 51 118.746 6.212 2.906 1.00 0.00 H new ATOM 841 N LEU A 52 120.783 2.030 5.063 1.00 0.00 N ATOM 842 CA LEU A 52 120.141 1.054 5.944 1.00 0.00 C ATOM 843 C LEU A 52 120.330 1.436 7.405 1.00 0.00 C ATOM 844 O LEU A 52 119.472 1.161 8.244 1.00 0.00 O ATOM 845 CB LEU A 52 120.699 -0.351 5.709 1.00 0.00 C ATOM 846 CG LEU A 52 119.835 -1.294 4.860 1.00 0.00 C ATOM 847 CD1 LEU A 52 119.205 -2.365 5.733 1.00 0.00 C ATOM 848 CD2 LEU A 52 118.751 -0.543 4.095 1.00 0.00 C ATOM 0 H LEU A 52 121.553 1.661 4.505 1.00 0.00 H new ATOM 0 HA LEU A 52 119.077 1.054 5.710 1.00 0.00 H new ATOM 0 HB2 LEU A 52 121.674 -0.256 5.230 1.00 0.00 H new ATOM 0 HB3 LEU A 52 120.865 -0.820 6.679 1.00 0.00 H new ATOM 0 HG LEU A 52 120.493 -1.763 4.128 1.00 0.00 H new ATOM 0 HD11 LEU A 52 118.596 -3.025 5.116 1.00 0.00 H new ATOM 0 HD12 LEU A 52 119.989 -2.945 6.220 1.00 0.00 H new ATOM 0 HD13 LEU A 52 118.578 -1.895 6.490 1.00 0.00 H new ATOM 0 HD21 LEU A 52 118.164 -1.249 3.508 1.00 0.00 H new ATOM 0 HD22 LEU A 52 118.099 -0.027 4.800 1.00 0.00 H new ATOM 0 HD23 LEU A 52 119.214 0.185 3.429 1.00 0.00 H new ATOM 860 N ALA A 53 121.456 2.069 7.706 1.00 0.00 N ATOM 861 CA ALA A 53 121.749 2.478 9.070 1.00 0.00 C ATOM 862 C ALA A 53 120.656 3.392 9.605 1.00 0.00 C ATOM 863 O ALA A 53 120.318 3.343 10.788 1.00 0.00 O ATOM 864 CB ALA A 53 123.101 3.173 9.136 1.00 0.00 C ATOM 0 H ALA A 53 122.178 2.309 7.026 1.00 0.00 H new ATOM 0 HA ALA A 53 121.785 1.586 9.695 1.00 0.00 H new ATOM 0 HB1 ALA A 53 123.306 3.473 10.164 1.00 0.00 H new ATOM 0 HB2 ALA A 53 123.879 2.489 8.796 1.00 0.00 H new ATOM 0 HB3 ALA A 53 123.088 4.055 8.496 1.00 0.00 H new ATOM 870 N GLY A 54 120.092 4.214 8.726 1.00 0.00 N ATOM 871 CA GLY A 54 119.037 5.116 9.141 1.00 0.00 C ATOM 872 C GLY A 54 117.855 4.373 9.722 1.00 0.00 C ATOM 873 O GLY A 54 117.288 4.787 10.733 1.00 0.00 O ATOM 0 H GLY A 54 120.346 4.271 7.740 1.00 0.00 H new ATOM 0 HA2 GLY A 54 119.427 5.814 9.882 1.00 0.00 H new ATOM 0 HA3 GLY A 54 118.709 5.708 8.287 1.00 0.00 H new ATOM 877 N VAL A 55 117.501 3.258 9.098 1.00 0.00 N ATOM 878 CA VAL A 55 116.397 2.442 9.576 1.00 0.00 C ATOM 879 C VAL A 55 116.766 1.804 10.904 1.00 0.00 C ATOM 880 O VAL A 55 115.921 1.618 11.781 1.00 0.00 O ATOM 881 CB VAL A 55 116.029 1.338 8.568 1.00 0.00 C ATOM 882 CG1 VAL A 55 114.574 0.925 8.735 1.00 0.00 C ATOM 883 CG2 VAL A 55 116.298 1.801 7.145 1.00 0.00 C ATOM 0 H VAL A 55 117.962 2.900 8.262 1.00 0.00 H new ATOM 0 HA VAL A 55 115.532 3.094 9.700 1.00 0.00 H new ATOM 0 HB VAL A 55 116.655 0.468 8.767 1.00 0.00 H new ATOM 0 HG11 VAL A 55 114.332 0.144 8.014 1.00 0.00 H new ATOM 0 HG12 VAL A 55 114.417 0.548 9.745 1.00 0.00 H new ATOM 0 HG13 VAL A 55 113.929 1.787 8.565 1.00 0.00 H new ATOM 0 HG21 VAL A 55 116.032 1.007 6.448 1.00 0.00 H new ATOM 0 HG22 VAL A 55 115.700 2.687 6.932 1.00 0.00 H new ATOM 0 HG23 VAL A 55 117.355 2.041 7.034 1.00 0.00 H new ATOM 893 N ALA A 56 118.044 1.477 11.037 1.00 0.00 N ATOM 894 CA ALA A 56 118.563 0.861 12.245 1.00 0.00 C ATOM 895 C ALA A 56 118.605 1.858 13.397 1.00 0.00 C ATOM 896 O ALA A 56 118.647 1.471 14.565 1.00 0.00 O ATOM 897 CB ALA A 56 119.945 0.294 11.974 1.00 0.00 C ATOM 0 H ALA A 56 118.745 1.631 10.313 1.00 0.00 H new ATOM 0 HA ALA A 56 117.896 0.050 12.538 1.00 0.00 H new ATOM 0 HB1 ALA A 56 120.333 -0.168 12.882 1.00 0.00 H new ATOM 0 HB2 ALA A 56 119.883 -0.454 11.184 1.00 0.00 H new ATOM 0 HB3 ALA A 56 120.613 1.097 11.661 1.00 0.00 H new ATOM 903 N THR A 57 118.599 3.145 13.059 1.00 0.00 N ATOM 904 CA THR A 57 118.641 4.197 14.067 1.00 0.00 C ATOM 905 C THR A 57 117.236 4.600 14.496 1.00 0.00 C ATOM 906 O THR A 57 116.988 4.865 15.672 1.00 0.00 O ATOM 907 CB THR A 57 119.391 5.416 13.528 1.00 0.00 C ATOM 908 OG1 THR A 57 118.581 6.144 12.623 1.00 0.00 O ATOM 909 CG2 THR A 57 120.675 5.061 12.810 1.00 0.00 C ATOM 0 H THR A 57 118.566 3.482 12.097 1.00 0.00 H new ATOM 0 HA THR A 57 119.168 3.808 14.939 1.00 0.00 H new ATOM 0 HB THR A 57 119.638 6.013 14.406 1.00 0.00 H new ATOM 0 HG1 THR A 57 118.219 5.535 11.946 1.00 0.00 H new ATOM 0 HG21 THR A 57 121.156 5.972 12.453 1.00 0.00 H new ATOM 0 HG22 THR A 57 121.344 4.542 13.496 1.00 0.00 H new ATOM 0 HG23 THR A 57 120.451 4.413 11.962 1.00 0.00 H new ATOM 917 N ASN A 58 116.318 4.648 13.536 1.00 0.00 N ATOM 918 CA ASN A 58 114.940 5.024 13.820 1.00 0.00 C ATOM 919 C ASN A 58 113.960 4.216 12.975 1.00 0.00 C ATOM 920 O ASN A 58 113.260 4.766 12.126 1.00 0.00 O ATOM 921 CB ASN A 58 114.736 6.517 13.565 1.00 0.00 C ATOM 922 CG ASN A 58 116.032 7.300 13.647 1.00 0.00 C ATOM 923 OD1 ASN A 58 116.666 7.368 14.699 1.00 0.00 O ATOM 924 ND2 ASN A 58 116.435 7.897 12.530 1.00 0.00 N ATOM 0 H ASN A 58 116.504 4.431 12.557 1.00 0.00 H new ATOM 0 HA ASN A 58 114.745 4.807 14.870 1.00 0.00 H new ATOM 0 HB2 ASN A 58 114.292 6.657 12.580 1.00 0.00 H new ATOM 0 HB3 ASN A 58 114.028 6.914 14.293 1.00 0.00 H new ATOM 0 HD21 ASN A 58 117.300 8.437 12.524 1.00 0.00 H new ATOM 0 HD22 ASN A 58 115.879 7.815 11.679 1.00 0.00 H new ATOM 931 N THR A 59 113.907 2.909 13.217 1.00 0.00 N ATOM 932 CA THR A 59 113.001 2.039 12.478 1.00 0.00 C ATOM 933 C THR A 59 111.553 2.417 12.768 1.00 0.00 C ATOM 934 O THR A 59 110.743 2.573 11.855 1.00 0.00 O ATOM 935 CB THR A 59 113.245 0.573 12.846 1.00 0.00 C ATOM 936 OG1 THR A 59 114.564 0.390 13.328 1.00 0.00 O ATOM 937 CG2 THR A 59 113.043 -0.379 11.685 1.00 0.00 C ATOM 0 H THR A 59 114.478 2.432 13.915 1.00 0.00 H new ATOM 0 HA THR A 59 113.193 2.167 11.413 1.00 0.00 H new ATOM 0 HB THR A 59 112.508 0.342 13.615 1.00 0.00 H new ATOM 0 HG1 THR A 59 115.200 0.496 12.590 1.00 0.00 H new ATOM 0 HG21 THR A 59 113.232 -1.401 12.015 1.00 0.00 H new ATOM 0 HG22 THR A 59 112.018 -0.298 11.323 1.00 0.00 H new ATOM 0 HG23 THR A 59 113.733 -0.124 10.881 1.00 0.00 H new ATOM 945 N ALA A 60 111.239 2.573 14.052 1.00 0.00 N ATOM 946 CA ALA A 60 109.893 2.942 14.473 1.00 0.00 C ATOM 947 C ALA A 60 109.487 4.281 13.868 1.00 0.00 C ATOM 948 O ALA A 60 108.306 4.534 13.631 1.00 0.00 O ATOM 949 CB ALA A 60 109.810 2.997 15.990 1.00 0.00 C ATOM 0 H ALA A 60 111.900 2.449 14.818 1.00 0.00 H new ATOM 0 HA ALA A 60 109.200 2.181 14.114 1.00 0.00 H new ATOM 0 HB1 ALA A 60 108.799 3.274 16.289 1.00 0.00 H new ATOM 0 HB2 ALA A 60 110.056 2.019 16.404 1.00 0.00 H new ATOM 0 HB3 ALA A 60 110.515 3.738 16.366 1.00 0.00 H new ATOM 955 N TYR A 61 110.477 5.126 13.606 1.00 0.00 N ATOM 956 CA TYR A 61 110.228 6.432 13.013 1.00 0.00 C ATOM 957 C TYR A 61 109.593 6.246 11.648 1.00 0.00 C ATOM 958 O TYR A 61 108.605 6.896 11.310 1.00 0.00 O ATOM 959 CB TYR A 61 111.528 7.228 12.890 1.00 0.00 C ATOM 960 CG TYR A 61 111.548 8.176 11.713 1.00 0.00 C ATOM 961 CD1 TYR A 61 110.441 8.957 11.408 1.00 0.00 C ATOM 962 CD2 TYR A 61 112.674 8.290 10.906 1.00 0.00 C ATOM 963 CE1 TYR A 61 110.453 9.825 10.333 1.00 0.00 C ATOM 964 CE2 TYR A 61 112.694 9.156 9.829 1.00 0.00 C ATOM 965 CZ TYR A 61 111.582 9.920 9.547 1.00 0.00 C ATOM 966 OH TYR A 61 111.599 10.783 8.475 1.00 0.00 O ATOM 0 H TYR A 61 111.460 4.929 13.795 1.00 0.00 H new ATOM 0 HA TYR A 61 109.551 6.993 13.657 1.00 0.00 H new ATOM 0 HB2 TYR A 61 111.684 7.797 13.807 1.00 0.00 H new ATOM 0 HB3 TYR A 61 112.363 6.533 12.800 1.00 0.00 H new ATOM 0 HD1 TYR A 61 109.555 8.885 12.022 1.00 0.00 H new ATOM 0 HD2 TYR A 61 113.547 7.693 11.124 1.00 0.00 H new ATOM 0 HE1 TYR A 61 109.583 10.425 10.110 1.00 0.00 H new ATOM 0 HE2 TYR A 61 113.577 9.234 9.211 1.00 0.00 H new ATOM 0 HH TYR A 61 112.406 11.337 8.514 1.00 0.00 H new ATOM 976 N LEU A 62 110.152 5.315 10.884 1.00 0.00 N ATOM 977 CA LEU A 62 109.625 4.993 9.573 1.00 0.00 C ATOM 978 C LEU A 62 108.245 4.382 9.742 1.00 0.00 C ATOM 979 O LEU A 62 107.377 4.510 8.878 1.00 0.00 O ATOM 980 CB LEU A 62 110.552 4.021 8.841 1.00 0.00 C ATOM 981 CG LEU A 62 111.965 4.544 8.579 1.00 0.00 C ATOM 982 CD1 LEU A 62 112.879 3.413 8.132 1.00 0.00 C ATOM 983 CD2 LEU A 62 111.938 5.653 7.538 1.00 0.00 C ATOM 0 H LEU A 62 110.972 4.772 11.155 1.00 0.00 H new ATOM 0 HA LEU A 62 109.557 5.901 8.974 1.00 0.00 H new ATOM 0 HB2 LEU A 62 110.624 3.103 9.424 1.00 0.00 H new ATOM 0 HB3 LEU A 62 110.096 3.758 7.887 1.00 0.00 H new ATOM 0 HG LEU A 62 112.358 4.955 9.509 1.00 0.00 H new ATOM 0 HD11 LEU A 62 113.880 3.804 7.950 1.00 0.00 H new ATOM 0 HD12 LEU A 62 112.923 2.651 8.911 1.00 0.00 H new ATOM 0 HD13 LEU A 62 112.490 2.972 7.214 1.00 0.00 H new ATOM 0 HD21 LEU A 62 112.952 6.013 7.364 1.00 0.00 H new ATOM 0 HD22 LEU A 62 111.525 5.267 6.606 1.00 0.00 H new ATOM 0 HD23 LEU A 62 111.318 6.474 7.897 1.00 0.00 H new ATOM 995 N ASP A 63 108.057 3.718 10.881 1.00 0.00 N ATOM 996 CA ASP A 63 106.787 3.078 11.199 1.00 0.00 C ATOM 997 C ASP A 63 105.654 4.098 11.204 1.00 0.00 C ATOM 998 O ASP A 63 104.490 3.749 11.003 1.00 0.00 O ATOM 999 CB ASP A 63 106.867 2.382 12.558 1.00 0.00 C ATOM 1000 CG ASP A 63 105.828 1.287 12.708 1.00 0.00 C ATOM 1001 OD1 ASP A 63 105.552 0.591 11.711 1.00 0.00 O ATOM 1002 OD2 ASP A 63 105.292 1.127 13.826 1.00 0.00 O ATOM 0 H ASP A 63 108.773 3.610 11.600 1.00 0.00 H new ATOM 0 HA ASP A 63 106.581 2.333 10.430 1.00 0.00 H new ATOM 0 HB2 ASP A 63 107.862 1.956 12.687 1.00 0.00 H new ATOM 0 HB3 ASP A 63 106.731 3.119 13.349 1.00 0.00 H new ATOM 1007 N GLY A 64 106.000 5.360 11.438 1.00 0.00 N ATOM 1008 CA GLY A 64 104.998 6.409 11.469 1.00 0.00 C ATOM 1009 C GLY A 64 104.263 6.540 10.150 1.00 0.00 C ATOM 1010 O GLY A 64 103.101 6.945 10.118 1.00 0.00 O ATOM 0 H GLY A 64 106.956 5.674 11.607 1.00 0.00 H new ATOM 0 HA2 GLY A 64 104.281 6.200 12.263 1.00 0.00 H new ATOM 0 HA3 GLY A 64 105.476 7.358 11.712 1.00 0.00 H new ATOM 1014 N LEU A 65 104.936 6.187 9.060 1.00 0.00 N ATOM 1015 CA LEU A 65 104.328 6.258 7.737 1.00 0.00 C ATOM 1016 C LEU A 65 103.246 5.193 7.598 1.00 0.00 C ATOM 1017 O LEU A 65 102.186 5.438 7.023 1.00 0.00 O ATOM 1018 CB LEU A 65 105.389 6.076 6.649 1.00 0.00 C ATOM 1019 CG LEU A 65 106.523 7.102 6.669 1.00 0.00 C ATOM 1020 CD1 LEU A 65 106.749 7.676 5.277 1.00 0.00 C ATOM 1021 CD2 LEU A 65 106.219 8.212 7.662 1.00 0.00 C ATOM 0 H LEU A 65 105.899 5.850 9.066 1.00 0.00 H new ATOM 0 HA LEU A 65 103.873 7.241 7.617 1.00 0.00 H new ATOM 0 HB2 LEU A 65 105.820 5.080 6.747 1.00 0.00 H new ATOM 0 HB3 LEU A 65 104.900 6.118 5.676 1.00 0.00 H new ATOM 0 HG LEU A 65 107.437 6.599 6.985 1.00 0.00 H new ATOM 0 HD11 LEU A 65 107.559 8.404 5.311 1.00 0.00 H new ATOM 0 HD12 LEU A 65 107.012 6.872 4.590 1.00 0.00 H new ATOM 0 HD13 LEU A 65 105.837 8.164 4.932 1.00 0.00 H new ATOM 0 HD21 LEU A 65 107.036 8.933 7.663 1.00 0.00 H new ATOM 0 HD22 LEU A 65 105.294 8.713 7.376 1.00 0.00 H new ATOM 0 HD23 LEU A 65 106.108 7.787 8.660 1.00 0.00 H new ATOM 1033 N MET A 66 103.523 4.013 8.143 1.00 0.00 N ATOM 1034 CA MET A 66 102.577 2.904 8.097 1.00 0.00 C ATOM 1035 C MET A 66 101.494 3.089 9.148 1.00 0.00 C ATOM 1036 O MET A 66 100.411 2.514 9.051 1.00 0.00 O ATOM 1037 CB MET A 66 103.307 1.584 8.334 1.00 0.00 C ATOM 1038 CG MET A 66 104.436 1.338 7.355 1.00 0.00 C ATOM 1039 SD MET A 66 104.419 -0.333 6.676 1.00 0.00 S ATOM 1040 CE MET A 66 105.919 -0.317 5.698 1.00 0.00 C ATOM 0 H MET A 66 104.397 3.800 8.623 1.00 0.00 H new ATOM 0 HA MET A 66 102.112 2.884 7.111 1.00 0.00 H new ATOM 0 HB2 MET A 66 103.707 1.575 9.348 1.00 0.00 H new ATOM 0 HB3 MET A 66 102.592 0.764 8.266 1.00 0.00 H new ATOM 0 HG2 MET A 66 104.367 2.058 6.539 1.00 0.00 H new ATOM 0 HG3 MET A 66 105.389 1.513 7.855 1.00 0.00 H new ATOM 0 HE1 MET A 66 105.949 -1.203 5.064 1.00 0.00 H new ATOM 0 HE2 MET A 66 105.937 0.577 5.074 1.00 0.00 H new ATOM 0 HE3 MET A 66 106.785 -0.315 6.360 1.00 0.00 H new ATOM 1050 N LYS A 67 101.808 3.898 10.152 1.00 0.00 N ATOM 1051 CA LYS A 67 100.877 4.178 11.240 1.00 0.00 C ATOM 1052 C LYS A 67 99.432 4.152 10.752 1.00 0.00 C ATOM 1053 O LYS A 67 98.599 3.429 11.294 1.00 0.00 O ATOM 1054 CB LYS A 67 101.190 5.537 11.870 1.00 0.00 C ATOM 1055 CG LYS A 67 100.076 6.068 12.758 1.00 0.00 C ATOM 1056 CD LYS A 67 100.631 6.792 13.975 1.00 0.00 C ATOM 1057 CE LYS A 67 99.709 7.913 14.424 1.00 0.00 C ATOM 1058 NZ LYS A 67 99.033 7.595 15.711 1.00 0.00 N ATOM 0 H LYS A 67 102.706 4.375 10.236 1.00 0.00 H new ATOM 0 HA LYS A 67 100.997 3.398 11.991 1.00 0.00 H new ATOM 0 HB2 LYS A 67 102.104 5.453 12.459 1.00 0.00 H new ATOM 0 HB3 LYS A 67 101.387 6.259 11.077 1.00 0.00 H new ATOM 0 HG2 LYS A 67 99.445 6.748 12.185 1.00 0.00 H new ATOM 0 HG3 LYS A 67 99.443 5.242 13.082 1.00 0.00 H new ATOM 0 HD2 LYS A 67 100.767 6.082 14.791 1.00 0.00 H new ATOM 0 HD3 LYS A 67 101.614 7.200 13.740 1.00 0.00 H new ATOM 0 HE2 LYS A 67 100.283 8.833 14.533 1.00 0.00 H new ATOM 0 HE3 LYS A 67 98.958 8.095 13.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 98.413 8.385 15.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 98.464 6.731 15.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 99.748 7.446 16.451 1.00 0.00 H new ATOM 1072 N PRO A 68 99.115 4.946 9.716 1.00 0.00 N ATOM 1073 CA PRO A 68 97.761 5.009 9.156 1.00 0.00 C ATOM 1074 C PRO A 68 97.375 3.729 8.424 1.00 0.00 C ATOM 1075 O PRO A 68 96.201 3.360 8.380 1.00 0.00 O ATOM 1076 CB PRO A 68 97.835 6.185 8.181 1.00 0.00 C ATOM 1077 CG PRO A 68 99.271 6.269 7.797 1.00 0.00 C ATOM 1078 CD PRO A 68 100.049 5.844 9.012 1.00 0.00 C ATOM 0 HA PRO A 68 97.004 5.129 9.931 1.00 0.00 H new ATOM 0 HB2 PRO A 68 97.201 6.017 7.310 1.00 0.00 H new ATOM 0 HB3 PRO A 68 97.496 7.109 8.649 1.00 0.00 H new ATOM 0 HG2 PRO A 68 99.487 5.620 6.948 1.00 0.00 H new ATOM 0 HG3 PRO A 68 99.537 7.283 7.498 1.00 0.00 H new ATOM 0 HD2 PRO A 68 100.972 5.331 8.740 1.00 0.00 H new ATOM 0 HD3 PRO A 68 100.329 6.698 9.629 1.00 0.00 H new ATOM 1086 N TYR A 69 98.367 3.053 7.851 1.00 0.00 N ATOM 1087 CA TYR A 69 98.122 1.813 7.122 1.00 0.00 C ATOM 1088 C TYR A 69 98.937 0.660 7.705 1.00 0.00 C ATOM 1089 O TYR A 69 100.159 0.611 7.568 1.00 0.00 O ATOM 1090 CB TYR A 69 98.436 1.996 5.634 1.00 0.00 C ATOM 1091 CG TYR A 69 99.850 1.627 5.252 1.00 0.00 C ATOM 1092 CD1 TYR A 69 100.203 0.303 5.021 1.00 0.00 C ATOM 1093 CD2 TYR A 69 100.831 2.600 5.120 1.00 0.00 C ATOM 1094 CE1 TYR A 69 101.495 -0.040 4.671 1.00 0.00 C ATOM 1095 CE2 TYR A 69 102.125 2.265 4.771 1.00 0.00 C ATOM 1096 CZ TYR A 69 102.452 0.945 4.547 1.00 0.00 C ATOM 1097 OH TYR A 69 103.740 0.608 4.196 1.00 0.00 O ATOM 0 H TYR A 69 99.345 3.342 7.877 1.00 0.00 H new ATOM 0 HA TYR A 69 97.066 1.563 7.227 1.00 0.00 H new ATOM 0 HB2 TYR A 69 97.743 1.390 5.050 1.00 0.00 H new ATOM 0 HB3 TYR A 69 98.257 3.036 5.361 1.00 0.00 H new ATOM 0 HD1 TYR A 69 99.455 -0.471 5.117 1.00 0.00 H new ATOM 0 HD2 TYR A 69 100.579 3.636 5.293 1.00 0.00 H new ATOM 0 HE1 TYR A 69 101.754 -1.074 4.496 1.00 0.00 H new ATOM 0 HE2 TYR A 69 102.877 3.034 4.674 1.00 0.00 H new ATOM 0 HH TYR A 69 103.960 -0.272 4.566 1.00 0.00 H new ATOM 1107 N LEU A 70 98.247 -0.260 8.370 1.00 0.00 N ATOM 1108 CA LEU A 70 98.893 -1.410 8.986 1.00 0.00 C ATOM 1109 C LEU A 70 98.417 -2.707 8.333 1.00 0.00 C ATOM 1110 O LEU A 70 98.065 -2.724 7.154 1.00 0.00 O ATOM 1111 CB LEU A 70 98.592 -1.438 10.487 1.00 0.00 C ATOM 1112 CG LEU A 70 98.813 -0.116 11.225 1.00 0.00 C ATOM 1113 CD1 LEU A 70 100.274 0.300 11.150 1.00 0.00 C ATOM 1114 CD2 LEU A 70 97.917 0.978 10.664 1.00 0.00 C ATOM 0 H LEU A 70 97.235 -0.230 8.496 1.00 0.00 H new ATOM 0 HA LEU A 70 99.970 -1.323 8.839 1.00 0.00 H new ATOM 0 HB2 LEU A 70 97.555 -1.744 10.627 1.00 0.00 H new ATOM 0 HB3 LEU A 70 99.215 -2.202 10.951 1.00 0.00 H new ATOM 0 HG LEU A 70 98.549 -0.266 12.272 1.00 0.00 H new ATOM 0 HD11 LEU A 70 100.412 1.242 11.680 1.00 0.00 H new ATOM 0 HD12 LEU A 70 100.895 -0.469 11.609 1.00 0.00 H new ATOM 0 HD13 LEU A 70 100.564 0.425 10.107 1.00 0.00 H new ATOM 0 HD21 LEU A 70 98.094 1.907 11.206 1.00 0.00 H new ATOM 0 HD22 LEU A 70 98.141 1.126 9.608 1.00 0.00 H new ATOM 0 HD23 LEU A 70 96.873 0.686 10.776 1.00 0.00 H new ATOM 1126 N SER A 71 98.405 -3.790 9.105 1.00 0.00 N ATOM 1127 CA SER A 71 97.969 -5.085 8.598 1.00 0.00 C ATOM 1128 C SER A 71 97.845 -6.096 9.733 1.00 0.00 C ATOM 1129 O SER A 71 98.330 -7.223 9.630 1.00 0.00 O ATOM 1130 CB SER A 71 98.949 -5.601 7.545 1.00 0.00 C ATOM 1131 OG SER A 71 98.853 -4.850 6.346 1.00 0.00 O ATOM 0 H SER A 71 98.692 -3.795 10.084 1.00 0.00 H new ATOM 0 HA SER A 71 96.989 -4.957 8.138 1.00 0.00 H new ATOM 0 HB2 SER A 71 99.966 -5.545 7.932 1.00 0.00 H new ATOM 0 HB3 SER A 71 98.744 -6.651 7.337 1.00 0.00 H new ATOM 0 HG SER A 71 98.127 -4.197 6.426 1.00 0.00 H new ATOM 1137 N ARG A 72 97.196 -5.684 10.818 1.00 0.00 N ATOM 1138 CA ARG A 72 97.013 -6.554 11.975 1.00 0.00 C ATOM 1139 C ARG A 72 98.341 -6.788 12.688 1.00 0.00 C ATOM 1140 O ARG A 72 98.488 -6.467 13.868 1.00 0.00 O ATOM 1141 CB ARG A 72 96.407 -7.890 11.542 1.00 0.00 C ATOM 1142 CG ARG A 72 95.113 -7.745 10.757 1.00 0.00 C ATOM 1143 CD ARG A 72 95.329 -8.004 9.275 1.00 0.00 C ATOM 1144 NE ARG A 72 94.279 -8.846 8.708 1.00 0.00 N ATOM 1145 CZ ARG A 72 94.264 -10.171 8.807 1.00 0.00 C ATOM 1146 NH1 ARG A 72 95.238 -10.801 9.450 1.00 0.00 N ATOM 1147 NH2 ARG A 72 93.275 -10.868 8.263 1.00 0.00 N ATOM 0 H ARG A 72 96.789 -4.754 10.920 1.00 0.00 H new ATOM 0 HA ARG A 72 96.330 -6.063 12.668 1.00 0.00 H new ATOM 0 HB2 ARG A 72 97.133 -8.429 10.933 1.00 0.00 H new ATOM 0 HB3 ARG A 72 96.219 -8.498 12.427 1.00 0.00 H new ATOM 0 HG2 ARG A 72 94.371 -8.443 11.145 1.00 0.00 H new ATOM 0 HG3 ARG A 72 94.711 -6.741 10.897 1.00 0.00 H new ATOM 0 HD2 ARG A 72 95.359 -7.054 8.742 1.00 0.00 H new ATOM 0 HD3 ARG A 72 96.297 -8.483 9.128 1.00 0.00 H new ATOM 0 HE ARG A 72 93.515 -8.392 8.208 1.00 0.00 H new ATOM 0 HH11 ARG A 72 96.000 -10.268 9.869 1.00 0.00 H new ATOM 0 HH12 ARG A 72 95.225 -11.818 9.525 1.00 0.00 H new ATOM 0 HH21 ARG A 72 92.524 -10.387 7.768 1.00 0.00 H new ATOM 0 HH22 ARG A 72 93.265 -11.885 8.340 1.00 0.00 H new ATOM 1161 N LEU A 73 99.309 -7.337 11.962 1.00 0.00 N ATOM 1162 CA LEU A 73 100.630 -7.602 12.519 1.00 0.00 C ATOM 1163 C LEU A 73 101.720 -7.203 11.529 1.00 0.00 C ATOM 1164 O LEU A 73 101.916 -7.862 10.509 1.00 0.00 O ATOM 1165 CB LEU A 73 100.786 -9.081 12.896 1.00 0.00 C ATOM 1166 CG LEU A 73 99.715 -10.027 12.343 1.00 0.00 C ATOM 1167 CD1 LEU A 73 98.391 -9.818 13.061 1.00 0.00 C ATOM 1168 CD2 LEU A 73 99.549 -9.838 10.843 1.00 0.00 C ATOM 0 H LEU A 73 99.203 -7.608 10.984 1.00 0.00 H new ATOM 0 HA LEU A 73 100.734 -7.002 13.423 1.00 0.00 H new ATOM 0 HB2 LEU A 73 101.761 -9.424 12.549 1.00 0.00 H new ATOM 0 HB3 LEU A 73 100.788 -9.161 13.983 1.00 0.00 H new ATOM 0 HG LEU A 73 100.042 -11.051 12.521 1.00 0.00 H new ATOM 0 HD11 LEU A 73 97.644 -10.499 12.653 1.00 0.00 H new ATOM 0 HD12 LEU A 73 98.519 -10.015 14.125 1.00 0.00 H new ATOM 0 HD13 LEU A 73 98.059 -8.789 12.920 1.00 0.00 H new ATOM 0 HD21 LEU A 73 98.784 -10.520 10.473 1.00 0.00 H new ATOM 0 HD22 LEU A 73 99.250 -8.810 10.637 1.00 0.00 H new ATOM 0 HD23 LEU A 73 100.495 -10.048 10.343 1.00 0.00 H new ATOM 1180 N LEU A 74 102.424 -6.119 11.833 1.00 0.00 N ATOM 1181 CA LEU A 74 103.491 -5.632 10.964 1.00 0.00 C ATOM 1182 C LEU A 74 104.528 -6.722 10.708 1.00 0.00 C ATOM 1183 O LEU A 74 105.088 -6.814 9.616 1.00 0.00 O ATOM 1184 CB LEU A 74 104.164 -4.407 11.586 1.00 0.00 C ATOM 1185 CG LEU A 74 103.613 -3.058 11.121 1.00 0.00 C ATOM 1186 CD1 LEU A 74 102.475 -2.606 12.022 1.00 0.00 C ATOM 1187 CD2 LEU A 74 104.719 -2.014 11.089 1.00 0.00 C ATOM 0 H LEU A 74 102.276 -5.560 12.674 1.00 0.00 H new ATOM 0 HA LEU A 74 103.047 -5.349 10.010 1.00 0.00 H new ATOM 0 HB2 LEU A 74 104.065 -4.468 12.670 1.00 0.00 H new ATOM 0 HB3 LEU A 74 105.230 -4.444 11.361 1.00 0.00 H new ATOM 0 HG LEU A 74 103.222 -3.175 10.110 1.00 0.00 H new ATOM 0 HD11 LEU A 74 102.096 -1.645 11.675 1.00 0.00 H new ATOM 0 HD12 LEU A 74 101.673 -3.344 11.993 1.00 0.00 H new ATOM 0 HD13 LEU A 74 102.839 -2.505 13.045 1.00 0.00 H new ATOM 0 HD21 LEU A 74 104.310 -1.060 10.756 1.00 0.00 H new ATOM 0 HD22 LEU A 74 105.140 -1.899 12.088 1.00 0.00 H new ATOM 0 HD23 LEU A 74 105.501 -2.333 10.400 1.00 0.00 H new ATOM 1199 N GLU A 75 104.781 -7.540 11.723 1.00 0.00 N ATOM 1200 CA GLU A 75 105.754 -8.621 11.609 1.00 0.00 C ATOM 1201 C GLU A 75 105.246 -9.726 10.686 1.00 0.00 C ATOM 1202 O GLU A 75 106.023 -10.552 10.208 1.00 0.00 O ATOM 1203 CB GLU A 75 106.063 -9.201 12.992 1.00 0.00 C ATOM 1204 CG GLU A 75 107.527 -9.082 13.387 1.00 0.00 C ATOM 1205 CD GLU A 75 107.721 -8.311 14.677 1.00 0.00 C ATOM 1206 OE1 GLU A 75 107.237 -7.163 14.762 1.00 0.00 O ATOM 1207 OE2 GLU A 75 108.356 -8.856 15.604 1.00 0.00 O ATOM 0 H GLU A 75 104.326 -7.476 12.634 1.00 0.00 H new ATOM 0 HA GLU A 75 106.666 -8.208 11.178 1.00 0.00 H new ATOM 0 HB2 GLU A 75 105.452 -8.691 13.736 1.00 0.00 H new ATOM 0 HB3 GLU A 75 105.775 -10.252 13.009 1.00 0.00 H new ATOM 0 HG2 GLU A 75 107.952 -10.080 13.497 1.00 0.00 H new ATOM 0 HG3 GLU A 75 108.077 -8.587 12.586 1.00 0.00 H new ATOM 1214 N GLU A 76 103.939 -9.739 10.444 1.00 0.00 N ATOM 1215 CA GLU A 76 103.334 -10.749 9.580 1.00 0.00 C ATOM 1216 C GLU A 76 102.732 -10.116 8.329 1.00 0.00 C ATOM 1217 O GLU A 76 102.460 -10.805 7.345 1.00 0.00 O ATOM 1218 CB GLU A 76 102.256 -11.519 10.345 1.00 0.00 C ATOM 1219 CG GLU A 76 102.812 -12.565 11.295 1.00 0.00 C ATOM 1220 CD GLU A 76 102.374 -13.972 10.936 1.00 0.00 C ATOM 1221 OE1 GLU A 76 101.224 -14.336 11.258 1.00 0.00 O ATOM 1222 OE2 GLU A 76 103.182 -14.709 10.334 1.00 0.00 O ATOM 0 H GLU A 76 103.280 -9.064 10.832 1.00 0.00 H new ATOM 0 HA GLU A 76 104.118 -11.439 9.269 1.00 0.00 H new ATOM 0 HB2 GLU A 76 101.650 -10.812 10.911 1.00 0.00 H new ATOM 0 HB3 GLU A 76 101.593 -12.006 9.630 1.00 0.00 H new ATOM 0 HG2 GLU A 76 103.901 -12.515 11.288 1.00 0.00 H new ATOM 0 HG3 GLU A 76 102.489 -12.336 12.311 1.00 0.00 H new ATOM 1229 N LEU A 77 102.525 -8.805 8.371 1.00 0.00 N ATOM 1230 CA LEU A 77 101.954 -8.084 7.240 1.00 0.00 C ATOM 1231 C LEU A 77 102.578 -8.548 5.929 1.00 0.00 C ATOM 1232 O LEU A 77 101.957 -8.464 4.869 1.00 0.00 O ATOM 1233 CB LEU A 77 102.159 -6.577 7.411 1.00 0.00 C ATOM 1234 CG LEU A 77 101.653 -5.718 6.251 1.00 0.00 C ATOM 1235 CD1 LEU A 77 101.567 -4.257 6.665 1.00 0.00 C ATOM 1236 CD2 LEU A 77 102.557 -5.877 5.037 1.00 0.00 C ATOM 0 H LEU A 77 102.744 -8.219 9.177 1.00 0.00 H new ATOM 0 HA LEU A 77 100.885 -8.296 7.209 1.00 0.00 H new ATOM 0 HB2 LEU A 77 101.657 -6.259 8.324 1.00 0.00 H new ATOM 0 HB3 LEU A 77 103.223 -6.384 7.549 1.00 0.00 H new ATOM 0 HG LEU A 77 100.653 -6.057 5.983 1.00 0.00 H new ATOM 0 HD11 LEU A 77 101.205 -3.662 5.827 1.00 0.00 H new ATOM 0 HD12 LEU A 77 100.879 -4.157 7.505 1.00 0.00 H new ATOM 0 HD13 LEU A 77 102.555 -3.904 6.961 1.00 0.00 H new ATOM 0 HD21 LEU A 77 102.182 -5.259 4.221 1.00 0.00 H new ATOM 0 HD22 LEU A 77 103.569 -5.565 5.294 1.00 0.00 H new ATOM 0 HD23 LEU A 77 102.568 -6.922 4.726 1.00 0.00 H new ATOM 1248 N GLY A 78 103.811 -9.036 6.008 1.00 0.00 N ATOM 1249 CA GLY A 78 104.500 -9.507 4.823 1.00 0.00 C ATOM 1250 C GLY A 78 106.000 -9.587 5.021 1.00 0.00 C ATOM 1251 O GLY A 78 106.556 -8.912 5.887 1.00 0.00 O ATOM 0 H GLY A 78 104.346 -9.114 6.873 1.00 0.00 H new ATOM 0 HA2 GLY A 78 104.119 -10.492 4.552 1.00 0.00 H new ATOM 0 HA3 GLY A 78 104.281 -8.840 3.989 1.00 0.00 H new ATOM 1255 N GLN A 79 106.658 -10.417 4.218 1.00 0.00 N ATOM 1256 CA GLN A 79 108.102 -10.583 4.312 1.00 0.00 C ATOM 1257 C GLN A 79 108.827 -9.501 3.519 1.00 0.00 C ATOM 1258 O GLN A 79 109.146 -8.438 4.051 1.00 0.00 O ATOM 1259 CB GLN A 79 108.510 -11.965 3.802 1.00 0.00 C ATOM 1260 CG GLN A 79 108.746 -12.976 4.912 1.00 0.00 C ATOM 1261 CD GLN A 79 110.204 -13.058 5.324 1.00 0.00 C ATOM 1262 OE1 GLN A 79 110.868 -14.070 5.105 1.00 0.00 O ATOM 1263 NE2 GLN A 79 110.708 -11.987 5.927 1.00 0.00 N ATOM 0 H GLN A 79 106.214 -10.984 3.496 1.00 0.00 H new ATOM 0 HA GLN A 79 108.386 -10.491 5.360 1.00 0.00 H new ATOM 0 HB2 GLN A 79 107.733 -12.342 3.137 1.00 0.00 H new ATOM 0 HB3 GLN A 79 109.419 -11.871 3.208 1.00 0.00 H new ATOM 0 HG2 GLN A 79 108.142 -12.707 5.778 1.00 0.00 H new ATOM 0 HG3 GLN A 79 108.410 -13.959 4.581 1.00 0.00 H new ATOM 0 HE21 GLN A 79 110.121 -11.169 6.088 1.00 0.00 H new ATOM 0 HE22 GLN A 79 111.682 -11.983 6.229 1.00 0.00 H new ATOM 1272 N VAL A 80 109.087 -9.780 2.246 1.00 0.00 N ATOM 1273 CA VAL A 80 109.779 -8.826 1.384 1.00 0.00 C ATOM 1274 C VAL A 80 108.924 -7.594 1.120 1.00 0.00 C ATOM 1275 O VAL A 80 109.380 -6.461 1.288 1.00 0.00 O ATOM 1276 CB VAL A 80 110.165 -9.446 0.024 1.00 0.00 C ATOM 1277 CG1 VAL A 80 111.573 -10.017 0.071 1.00 0.00 C ATOM 1278 CG2 VAL A 80 109.162 -10.512 -0.393 1.00 0.00 C ATOM 0 H VAL A 80 108.831 -10.655 1.789 1.00 0.00 H new ATOM 0 HA VAL A 80 110.685 -8.542 1.919 1.00 0.00 H new ATOM 0 HB VAL A 80 110.145 -8.654 -0.725 1.00 0.00 H new ATOM 0 HG11 VAL A 80 111.823 -10.448 -0.898 1.00 0.00 H new ATOM 0 HG12 VAL A 80 112.280 -9.222 0.308 1.00 0.00 H new ATOM 0 HG13 VAL A 80 111.627 -10.790 0.837 1.00 0.00 H new ATOM 0 HG21 VAL A 80 109.457 -10.933 -1.354 1.00 0.00 H new ATOM 0 HG22 VAL A 80 109.138 -11.302 0.357 1.00 0.00 H new ATOM 0 HG23 VAL A 80 108.172 -10.065 -0.481 1.00 0.00 H new ATOM 1288 N GLU A 81 107.684 -7.817 0.700 1.00 0.00 N ATOM 1289 CA GLU A 81 106.777 -6.720 0.395 1.00 0.00 C ATOM 1290 C GLU A 81 106.663 -5.764 1.572 1.00 0.00 C ATOM 1291 O GLU A 81 106.823 -4.554 1.413 1.00 0.00 O ATOM 1292 CB GLU A 81 105.394 -7.260 0.029 1.00 0.00 C ATOM 1293 CG GLU A 81 105.354 -7.974 -1.311 1.00 0.00 C ATOM 1294 CD GLU A 81 104.974 -9.436 -1.181 1.00 0.00 C ATOM 1295 OE1 GLU A 81 103.763 -9.729 -1.089 1.00 0.00 O ATOM 1296 OE2 GLU A 81 105.886 -10.289 -1.171 1.00 0.00 O ATOM 0 H GLU A 81 107.285 -8.746 0.564 1.00 0.00 H new ATOM 0 HA GLU A 81 107.184 -6.174 -0.456 1.00 0.00 H new ATOM 0 HB2 GLU A 81 105.064 -7.948 0.808 1.00 0.00 H new ATOM 0 HB3 GLU A 81 104.683 -6.434 0.012 1.00 0.00 H new ATOM 0 HG2 GLU A 81 104.639 -7.473 -1.964 1.00 0.00 H new ATOM 0 HG3 GLU A 81 106.331 -7.897 -1.789 1.00 0.00 H new ATOM 1303 N LYS A 82 106.413 -6.305 2.757 1.00 0.00 N ATOM 1304 CA LYS A 82 106.299 -5.475 3.945 1.00 0.00 C ATOM 1305 C LYS A 82 107.569 -4.661 4.121 1.00 0.00 C ATOM 1306 O LYS A 82 107.521 -3.475 4.446 1.00 0.00 O ATOM 1307 CB LYS A 82 106.049 -6.334 5.185 1.00 0.00 C ATOM 1308 CG LYS A 82 105.697 -5.525 6.424 1.00 0.00 C ATOM 1309 CD LYS A 82 106.943 -5.020 7.136 1.00 0.00 C ATOM 1310 CE LYS A 82 106.733 -3.627 7.711 1.00 0.00 C ATOM 1311 NZ LYS A 82 105.819 -3.645 8.887 1.00 0.00 N ATOM 0 H LYS A 82 106.287 -7.304 2.919 1.00 0.00 H new ATOM 0 HA LYS A 82 105.451 -4.801 3.821 1.00 0.00 H new ATOM 0 HB2 LYS A 82 105.239 -7.033 4.975 1.00 0.00 H new ATOM 0 HB3 LYS A 82 106.939 -6.929 5.390 1.00 0.00 H new ATOM 0 HG2 LYS A 82 105.071 -4.679 6.141 1.00 0.00 H new ATOM 0 HG3 LYS A 82 105.111 -6.141 7.107 1.00 0.00 H new ATOM 0 HD2 LYS A 82 107.209 -5.709 7.938 1.00 0.00 H new ATOM 0 HD3 LYS A 82 107.780 -5.004 6.438 1.00 0.00 H new ATOM 0 HE2 LYS A 82 107.695 -3.206 8.005 1.00 0.00 H new ATOM 0 HE3 LYS A 82 106.322 -2.974 6.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 105.174 -2.831 8.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 105.266 -4.526 8.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 106.378 -3.591 9.762 1.00 0.00 H new ATOM 1325 N ALA A 83 108.707 -5.301 3.878 1.00 0.00 N ATOM 1326 CA ALA A 83 109.987 -4.628 3.981 1.00 0.00 C ATOM 1327 C ALA A 83 110.154 -3.650 2.827 1.00 0.00 C ATOM 1328 O ALA A 83 110.712 -2.564 2.986 1.00 0.00 O ATOM 1329 CB ALA A 83 111.123 -5.641 3.993 1.00 0.00 C ATOM 0 H ALA A 83 108.765 -6.283 3.609 1.00 0.00 H new ATOM 0 HA ALA A 83 110.018 -4.072 4.918 1.00 0.00 H new ATOM 0 HB1 ALA A 83 112.076 -5.118 4.071 1.00 0.00 H new ATOM 0 HB2 ALA A 83 111.005 -6.310 4.846 1.00 0.00 H new ATOM 0 HB3 ALA A 83 111.102 -6.222 3.071 1.00 0.00 H new ATOM 1335 N VAL A 84 109.651 -4.051 1.662 1.00 0.00 N ATOM 1336 CA VAL A 84 109.739 -3.232 0.463 1.00 0.00 C ATOM 1337 C VAL A 84 109.108 -1.870 0.686 1.00 0.00 C ATOM 1338 O VAL A 84 109.688 -0.839 0.344 1.00 0.00 O ATOM 1339 CB VAL A 84 109.044 -3.923 -0.723 1.00 0.00 C ATOM 1340 CG1 VAL A 84 108.034 -2.988 -1.372 1.00 0.00 C ATOM 1341 CG2 VAL A 84 110.070 -4.405 -1.735 1.00 0.00 C ATOM 0 H VAL A 84 109.176 -4.944 1.526 1.00 0.00 H new ATOM 0 HA VAL A 84 110.797 -3.101 0.235 1.00 0.00 H new ATOM 0 HB VAL A 84 108.504 -4.793 -0.348 1.00 0.00 H new ATOM 0 HG11 VAL A 84 107.554 -3.495 -2.208 1.00 0.00 H new ATOM 0 HG12 VAL A 84 107.279 -2.702 -0.639 1.00 0.00 H new ATOM 0 HG13 VAL A 84 108.545 -2.096 -1.734 1.00 0.00 H new ATOM 0 HG21 VAL A 84 109.560 -4.891 -2.567 1.00 0.00 H new ATOM 0 HG22 VAL A 84 110.642 -3.555 -2.107 1.00 0.00 H new ATOM 0 HG23 VAL A 84 110.745 -5.115 -1.258 1.00 0.00 H new ATOM 1351 N LEU A 85 107.921 -1.871 1.267 1.00 0.00 N ATOM 1352 CA LEU A 85 107.214 -0.636 1.546 1.00 0.00 C ATOM 1353 C LEU A 85 107.916 0.152 2.646 1.00 0.00 C ATOM 1354 O LEU A 85 107.889 1.383 2.651 1.00 0.00 O ATOM 1355 CB LEU A 85 105.769 -0.931 1.954 1.00 0.00 C ATOM 1356 CG LEU A 85 104.813 -1.216 0.795 1.00 0.00 C ATOM 1357 CD1 LEU A 85 103.621 -2.028 1.274 1.00 0.00 C ATOM 1358 CD2 LEU A 85 104.353 0.085 0.153 1.00 0.00 C ATOM 0 H LEU A 85 107.427 -2.716 1.555 1.00 0.00 H new ATOM 0 HA LEU A 85 107.210 -0.034 0.637 1.00 0.00 H new ATOM 0 HB2 LEU A 85 105.766 -1.789 2.627 1.00 0.00 H new ATOM 0 HB3 LEU A 85 105.387 -0.081 2.519 1.00 0.00 H new ATOM 0 HG LEU A 85 105.345 -1.800 0.044 1.00 0.00 H new ATOM 0 HD11 LEU A 85 102.952 -2.221 0.436 1.00 0.00 H new ATOM 0 HD12 LEU A 85 103.968 -2.975 1.687 1.00 0.00 H new ATOM 0 HD13 LEU A 85 103.087 -1.471 2.044 1.00 0.00 H new ATOM 0 HD21 LEU A 85 103.673 -0.136 -0.670 1.00 0.00 H new ATOM 0 HD22 LEU A 85 103.838 0.695 0.895 1.00 0.00 H new ATOM 0 HD23 LEU A 85 105.218 0.629 -0.227 1.00 0.00 H new ATOM 1370 N ARG A 86 108.545 -0.561 3.579 1.00 0.00 N ATOM 1371 CA ARG A 86 109.234 0.093 4.685 1.00 0.00 C ATOM 1372 C ARG A 86 110.308 1.033 4.167 1.00 0.00 C ATOM 1373 O ARG A 86 110.382 2.192 4.576 1.00 0.00 O ATOM 1374 CB ARG A 86 109.854 -0.950 5.615 1.00 0.00 C ATOM 1375 CG ARG A 86 110.502 -0.351 6.854 1.00 0.00 C ATOM 1376 CD ARG A 86 111.871 -0.957 7.115 1.00 0.00 C ATOM 1377 NE ARG A 86 111.785 -2.363 7.497 1.00 0.00 N ATOM 1378 CZ ARG A 86 111.386 -2.778 8.695 1.00 0.00 C ATOM 1379 NH1 ARG A 86 111.038 -1.895 9.623 1.00 0.00 N ATOM 1380 NH2 ARG A 86 111.335 -4.075 8.969 1.00 0.00 N ATOM 0 H ARG A 86 108.591 -1.580 3.590 1.00 0.00 H new ATOM 0 HA ARG A 86 108.504 0.677 5.245 1.00 0.00 H new ATOM 0 HB2 ARG A 86 109.082 -1.655 5.923 1.00 0.00 H new ATOM 0 HB3 ARG A 86 110.602 -1.519 5.063 1.00 0.00 H new ATOM 0 HG2 ARG A 86 110.598 0.728 6.730 1.00 0.00 H new ATOM 0 HG3 ARG A 86 109.859 -0.517 7.718 1.00 0.00 H new ATOM 0 HD2 ARG A 86 112.486 -0.862 6.220 1.00 0.00 H new ATOM 0 HD3 ARG A 86 112.370 -0.397 7.906 1.00 0.00 H new ATOM 0 HE ARG A 86 112.046 -3.066 6.806 1.00 0.00 H new ATOM 0 HH11 ARG A 86 111.077 -0.897 9.417 1.00 0.00 H new ATOM 0 HH12 ARG A 86 110.732 -2.215 10.542 1.00 0.00 H new ATOM 0 HH21 ARG A 86 111.602 -4.757 8.259 1.00 0.00 H new ATOM 0 HH22 ARG A 86 111.028 -4.390 9.889 1.00 0.00 H new ATOM 1394 N ILE A 87 111.126 0.540 3.251 1.00 0.00 N ATOM 1395 CA ILE A 87 112.176 1.355 2.672 1.00 0.00 C ATOM 1396 C ILE A 87 111.577 2.538 1.927 1.00 0.00 C ATOM 1397 O ILE A 87 112.148 3.630 1.908 1.00 0.00 O ATOM 1398 CB ILE A 87 113.061 0.541 1.706 1.00 0.00 C ATOM 1399 CG1 ILE A 87 112.213 -0.076 0.590 1.00 0.00 C ATOM 1400 CG2 ILE A 87 113.815 -0.542 2.462 1.00 0.00 C ATOM 1401 CD1 ILE A 87 112.927 -0.149 -0.743 1.00 0.00 C ATOM 0 H ILE A 87 111.082 -0.415 2.896 1.00 0.00 H new ATOM 0 HA ILE A 87 112.799 1.712 3.492 1.00 0.00 H new ATOM 0 HB ILE A 87 113.787 1.216 1.252 1.00 0.00 H new ATOM 0 HG12 ILE A 87 111.912 -1.081 0.887 1.00 0.00 H new ATOM 0 HG13 ILE A 87 111.301 0.509 0.473 1.00 0.00 H new ATOM 0 HG21 ILE A 87 114.435 -1.107 1.766 1.00 0.00 H new ATOM 0 HG22 ILE A 87 114.448 -0.082 3.221 1.00 0.00 H new ATOM 0 HG23 ILE A 87 113.103 -1.214 2.942 1.00 0.00 H new ATOM 0 HD11 ILE A 87 112.266 -0.597 -1.486 1.00 0.00 H new ATOM 0 HD12 ILE A 87 113.204 0.855 -1.063 1.00 0.00 H new ATOM 0 HD13 ILE A 87 113.825 -0.759 -0.642 1.00 0.00 H new ATOM 1413 N ALA A 88 110.410 2.319 1.325 1.00 0.00 N ATOM 1414 CA ALA A 88 109.732 3.368 0.583 1.00 0.00 C ATOM 1415 C ALA A 88 109.426 4.553 1.481 1.00 0.00 C ATOM 1416 O ALA A 88 109.517 5.706 1.059 1.00 0.00 O ATOM 1417 CB ALA A 88 108.453 2.831 -0.043 1.00 0.00 C ATOM 0 H ALA A 88 109.919 1.425 1.339 1.00 0.00 H new ATOM 0 HA ALA A 88 110.395 3.707 -0.213 1.00 0.00 H new ATOM 0 HB1 ALA A 88 107.956 3.628 -0.596 1.00 0.00 H new ATOM 0 HB2 ALA A 88 108.696 2.015 -0.723 1.00 0.00 H new ATOM 0 HB3 ALA A 88 107.790 2.465 0.741 1.00 0.00 H new ATOM 1423 N LEU A 89 109.074 4.264 2.725 1.00 0.00 N ATOM 1424 CA LEU A 89 108.760 5.311 3.680 1.00 0.00 C ATOM 1425 C LEU A 89 109.973 6.203 3.913 1.00 0.00 C ATOM 1426 O LEU A 89 109.852 7.428 3.990 1.00 0.00 O ATOM 1427 CB LEU A 89 108.294 4.701 5.004 1.00 0.00 C ATOM 1428 CG LEU A 89 107.292 3.550 4.877 1.00 0.00 C ATOM 1429 CD1 LEU A 89 106.934 2.999 6.251 1.00 0.00 C ATOM 1430 CD2 LEU A 89 106.042 4.010 4.141 1.00 0.00 C ATOM 0 H LEU A 89 108.999 3.316 3.094 1.00 0.00 H new ATOM 0 HA LEU A 89 107.954 5.919 3.270 1.00 0.00 H new ATOM 0 HB2 LEU A 89 109.168 4.342 5.547 1.00 0.00 H new ATOM 0 HB3 LEU A 89 107.844 5.488 5.609 1.00 0.00 H new ATOM 0 HG LEU A 89 107.756 2.751 4.298 1.00 0.00 H new ATOM 0 HD11 LEU A 89 106.221 2.182 6.141 1.00 0.00 H new ATOM 0 HD12 LEU A 89 107.835 2.631 6.741 1.00 0.00 H new ATOM 0 HD13 LEU A 89 106.489 3.790 6.855 1.00 0.00 H new ATOM 0 HD21 LEU A 89 105.341 3.179 4.060 1.00 0.00 H new ATOM 0 HD22 LEU A 89 105.575 4.826 4.692 1.00 0.00 H new ATOM 0 HD23 LEU A 89 106.313 4.354 3.143 1.00 0.00 H new ATOM 1442 N TYR A 90 111.146 5.587 4.011 1.00 0.00 N ATOM 1443 CA TYR A 90 112.373 6.336 4.233 1.00 0.00 C ATOM 1444 C TYR A 90 112.674 7.241 3.047 1.00 0.00 C ATOM 1445 O TYR A 90 113.286 8.299 3.199 1.00 0.00 O ATOM 1446 CB TYR A 90 113.547 5.386 4.484 1.00 0.00 C ATOM 1447 CG TYR A 90 114.626 5.950 5.389 1.00 0.00 C ATOM 1448 CD1 TYR A 90 114.476 7.181 6.026 1.00 0.00 C ATOM 1449 CD2 TYR A 90 115.803 5.243 5.607 1.00 0.00 C ATOM 1450 CE1 TYR A 90 115.465 7.683 6.851 1.00 0.00 C ATOM 1451 CE2 TYR A 90 116.796 5.742 6.430 1.00 0.00 C ATOM 1452 CZ TYR A 90 116.621 6.960 7.049 1.00 0.00 C ATOM 1453 OH TYR A 90 117.608 7.458 7.870 1.00 0.00 O ATOM 0 H TYR A 90 111.271 4.577 3.940 1.00 0.00 H new ATOM 0 HA TYR A 90 112.234 6.958 5.117 1.00 0.00 H new ATOM 0 HB2 TYR A 90 113.166 4.465 4.924 1.00 0.00 H new ATOM 0 HB3 TYR A 90 113.995 5.120 3.526 1.00 0.00 H new ATOM 0 HD1 TYR A 90 113.572 7.752 5.872 1.00 0.00 H new ATOM 0 HD2 TYR A 90 115.944 4.287 5.125 1.00 0.00 H new ATOM 0 HE1 TYR A 90 115.332 8.638 7.338 1.00 0.00 H new ATOM 0 HE2 TYR A 90 117.704 5.179 6.587 1.00 0.00 H new ATOM 0 HH TYR A 90 117.203 8.015 8.567 1.00 0.00 H new ATOM 1463 N GLU A 91 112.244 6.817 1.866 1.00 0.00 N ATOM 1464 CA GLU A 91 112.471 7.587 0.651 1.00 0.00 C ATOM 1465 C GLU A 91 111.955 9.013 0.805 1.00 0.00 C ATOM 1466 O GLU A 91 112.588 9.963 0.345 1.00 0.00 O ATOM 1467 CB GLU A 91 111.791 6.911 -0.540 1.00 0.00 C ATOM 1468 CG GLU A 91 112.766 6.418 -1.597 1.00 0.00 C ATOM 1469 CD GLU A 91 113.141 7.497 -2.594 1.00 0.00 C ATOM 1470 OE1 GLU A 91 113.831 8.459 -2.196 1.00 0.00 O ATOM 1471 OE2 GLU A 91 112.743 7.380 -3.772 1.00 0.00 O ATOM 0 H GLU A 91 111.736 5.944 1.724 1.00 0.00 H new ATOM 0 HA GLU A 91 113.545 7.627 0.472 1.00 0.00 H new ATOM 0 HB2 GLU A 91 111.201 6.068 -0.181 1.00 0.00 H new ATOM 0 HB3 GLU A 91 111.096 7.614 -0.998 1.00 0.00 H new ATOM 0 HG2 GLU A 91 113.669 6.050 -1.110 1.00 0.00 H new ATOM 0 HG3 GLU A 91 112.324 5.575 -2.129 1.00 0.00 H new ATOM 1478 N LEU A 92 110.802 9.158 1.450 1.00 0.00 N ATOM 1479 CA LEU A 92 110.208 10.474 1.655 1.00 0.00 C ATOM 1480 C LEU A 92 111.015 11.294 2.657 1.00 0.00 C ATOM 1481 O LEU A 92 110.930 12.522 2.681 1.00 0.00 O ATOM 1482 CB LEU A 92 108.762 10.328 2.126 1.00 0.00 C ATOM 1483 CG LEU A 92 107.946 9.288 1.361 1.00 0.00 C ATOM 1484 CD1 LEU A 92 107.424 8.218 2.306 1.00 0.00 C ATOM 1485 CD2 LEU A 92 106.800 9.952 0.616 1.00 0.00 C ATOM 0 H LEU A 92 110.262 8.384 1.838 1.00 0.00 H new ATOM 0 HA LEU A 92 110.220 11.005 0.703 1.00 0.00 H new ATOM 0 HB2 LEU A 92 108.763 10.064 3.183 1.00 0.00 H new ATOM 0 HB3 LEU A 92 108.266 11.295 2.040 1.00 0.00 H new ATOM 0 HG LEU A 92 108.597 8.809 0.630 1.00 0.00 H new ATOM 0 HD11 LEU A 92 106.845 7.486 1.743 1.00 0.00 H new ATOM 0 HD12 LEU A 92 108.263 7.721 2.792 1.00 0.00 H new ATOM 0 HD13 LEU A 92 106.789 8.679 3.062 1.00 0.00 H new ATOM 0 HD21 LEU A 92 106.230 9.196 0.077 1.00 0.00 H new ATOM 0 HD22 LEU A 92 106.148 10.459 1.328 1.00 0.00 H new ATOM 0 HD23 LEU A 92 107.199 10.679 -0.092 1.00 0.00 H new ATOM 1497 N SER A 93 111.791 10.608 3.490 1.00 0.00 N ATOM 1498 CA SER A 93 112.606 11.272 4.499 1.00 0.00 C ATOM 1499 C SER A 93 113.840 11.924 3.879 1.00 0.00 C ATOM 1500 O SER A 93 114.158 13.075 4.175 1.00 0.00 O ATOM 1501 CB SER A 93 113.029 10.274 5.576 1.00 0.00 C ATOM 1502 OG SER A 93 114.438 10.254 5.730 1.00 0.00 O ATOM 0 H SER A 93 111.872 9.591 3.485 1.00 0.00 H new ATOM 0 HA SER A 93 112.001 12.057 4.952 1.00 0.00 H new ATOM 0 HB2 SER A 93 112.560 10.538 6.524 1.00 0.00 H new ATOM 0 HB3 SER A 93 112.675 9.278 5.312 1.00 0.00 H new ATOM 0 HG SER A 93 114.746 9.327 5.804 1.00 0.00 H new ATOM 1508 N LYS A 94 114.537 11.178 3.028 1.00 0.00 N ATOM 1509 CA LYS A 94 115.742 11.686 2.382 1.00 0.00 C ATOM 1510 C LYS A 94 115.561 11.797 0.871 1.00 0.00 C ATOM 1511 O LYS A 94 116.527 11.696 0.114 1.00 0.00 O ATOM 1512 CB LYS A 94 116.933 10.779 2.698 1.00 0.00 C ATOM 1513 CG LYS A 94 116.885 10.176 4.092 1.00 0.00 C ATOM 1514 CD LYS A 94 117.207 11.210 5.158 1.00 0.00 C ATOM 1515 CE LYS A 94 117.350 10.569 6.530 1.00 0.00 C ATOM 1516 NZ LYS A 94 117.642 11.576 7.587 1.00 0.00 N ATOM 0 H LYS A 94 114.289 10.223 2.770 1.00 0.00 H new ATOM 0 HA LYS A 94 115.933 12.685 2.774 1.00 0.00 H new ATOM 0 HB2 LYS A 94 116.971 9.974 1.964 1.00 0.00 H new ATOM 0 HB3 LYS A 94 117.854 11.352 2.590 1.00 0.00 H new ATOM 0 HG2 LYS A 94 115.895 9.759 4.275 1.00 0.00 H new ATOM 0 HG3 LYS A 94 117.595 9.351 4.157 1.00 0.00 H new ATOM 0 HD2 LYS A 94 118.131 11.726 4.898 1.00 0.00 H new ATOM 0 HD3 LYS A 94 116.419 11.962 5.187 1.00 0.00 H new ATOM 0 HE2 LYS A 94 116.432 10.037 6.779 1.00 0.00 H new ATOM 0 HE3 LYS A 94 118.150 9.829 6.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 117.732 11.098 8.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 118.531 12.066 7.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 116.867 12.268 7.631 1.00 0.00 H new ATOM 1530 N ARG A 95 114.323 12.010 0.436 1.00 0.00 N ATOM 1531 CA ARG A 95 114.031 12.139 -0.987 1.00 0.00 C ATOM 1532 C ARG A 95 114.729 13.363 -1.572 1.00 0.00 C ATOM 1533 O ARG A 95 115.431 14.085 -0.864 1.00 0.00 O ATOM 1534 CB ARG A 95 112.522 12.240 -1.218 1.00 0.00 C ATOM 1535 CG ARG A 95 111.793 13.027 -0.142 1.00 0.00 C ATOM 1536 CD ARG A 95 112.470 14.360 0.129 1.00 0.00 C ATOM 1537 NE ARG A 95 111.781 15.124 1.166 1.00 0.00 N ATOM 1538 CZ ARG A 95 112.225 16.281 1.646 1.00 0.00 C ATOM 1539 NH1 ARG A 95 113.353 16.803 1.185 1.00 0.00 N ATOM 1540 NH2 ARG A 95 111.542 16.916 2.589 1.00 0.00 N ATOM 0 H ARG A 95 113.510 12.097 1.045 1.00 0.00 H new ATOM 0 HA ARG A 95 114.406 11.248 -1.491 1.00 0.00 H new ATOM 0 HB2 ARG A 95 112.342 12.710 -2.185 1.00 0.00 H new ATOM 0 HB3 ARG A 95 112.103 11.235 -1.268 1.00 0.00 H new ATOM 0 HG2 ARG A 95 110.762 13.198 -0.451 1.00 0.00 H new ATOM 0 HG3 ARG A 95 111.758 12.442 0.777 1.00 0.00 H new ATOM 0 HD2 ARG A 95 113.503 14.187 0.432 1.00 0.00 H new ATOM 0 HD3 ARG A 95 112.501 14.944 -0.791 1.00 0.00 H new ATOM 0 HE ARG A 95 110.911 14.749 1.543 1.00 0.00 H new ATOM 0 HH11 ARG A 95 113.882 16.317 0.461 1.00 0.00 H new ATOM 0 HH12 ARG A 95 113.692 17.691 1.554 1.00 0.00 H new ATOM 0 HH21 ARG A 95 110.674 16.516 2.947 1.00 0.00 H new ATOM 0 HH22 ARG A 95 111.884 17.804 2.956 1.00 0.00 H new ATOM 1554 N SER A 96 114.532 13.591 -2.866 1.00 0.00 N ATOM 1555 CA SER A 96 115.143 14.729 -3.542 1.00 0.00 C ATOM 1556 C SER A 96 114.077 15.650 -4.127 1.00 0.00 C ATOM 1557 O SER A 96 113.538 15.386 -5.202 1.00 0.00 O ATOM 1558 CB SER A 96 116.083 14.249 -4.649 1.00 0.00 C ATOM 1559 OG SER A 96 117.438 14.343 -4.245 1.00 0.00 O ATOM 0 H SER A 96 113.954 13.003 -3.467 1.00 0.00 H new ATOM 0 HA SER A 96 115.719 15.290 -2.806 1.00 0.00 H new ATOM 0 HB2 SER A 96 115.848 13.216 -4.907 1.00 0.00 H new ATOM 0 HB3 SER A 96 115.926 14.846 -5.548 1.00 0.00 H new ATOM 0 HG SER A 96 118.018 14.029 -4.970 1.00 0.00 H new ATOM 1565 N ASP A 97 113.777 16.730 -3.413 1.00 0.00 N ATOM 1566 CA ASP A 97 112.773 17.687 -3.863 1.00 0.00 C ATOM 1567 C ASP A 97 111.611 16.972 -4.543 1.00 0.00 C ATOM 1568 O ASP A 97 111.075 17.447 -5.545 1.00 0.00 O ATOM 1569 CB ASP A 97 113.397 18.699 -4.825 1.00 0.00 C ATOM 1570 CG ASP A 97 114.761 19.174 -4.362 1.00 0.00 C ATOM 1571 OD1 ASP A 97 114.816 20.009 -3.436 1.00 0.00 O ATOM 1572 OD2 ASP A 97 115.774 18.709 -4.926 1.00 0.00 O ATOM 0 H ASP A 97 114.214 16.964 -2.522 1.00 0.00 H new ATOM 0 HA ASP A 97 112.392 18.216 -2.989 1.00 0.00 H new ATOM 0 HB2 ASP A 97 113.489 18.248 -5.813 1.00 0.00 H new ATOM 0 HB3 ASP A 97 112.732 19.557 -4.927 1.00 0.00 H new ATOM 1577 N VAL A 98 111.227 15.824 -3.992 1.00 0.00 N ATOM 1578 CA VAL A 98 110.131 15.038 -4.545 1.00 0.00 C ATOM 1579 C VAL A 98 108.820 15.339 -3.828 1.00 0.00 C ATOM 1580 O VAL A 98 108.782 15.470 -2.605 1.00 0.00 O ATOM 1581 CB VAL A 98 110.420 13.529 -4.444 1.00 0.00 C ATOM 1582 CG1 VAL A 98 110.003 12.994 -3.084 1.00 0.00 C ATOM 1583 CG2 VAL A 98 109.713 12.777 -5.560 1.00 0.00 C ATOM 0 H VAL A 98 111.660 15.418 -3.162 1.00 0.00 H new ATOM 0 HA VAL A 98 110.040 15.317 -5.595 1.00 0.00 H new ATOM 0 HB VAL A 98 111.493 13.375 -4.554 1.00 0.00 H new ATOM 0 HG11 VAL A 98 110.215 11.926 -3.032 1.00 0.00 H new ATOM 0 HG12 VAL A 98 110.559 13.513 -2.303 1.00 0.00 H new ATOM 0 HG13 VAL A 98 108.935 13.159 -2.940 1.00 0.00 H new ATOM 0 HG21 VAL A 98 109.928 11.712 -5.474 1.00 0.00 H new ATOM 0 HG22 VAL A 98 108.638 12.938 -5.483 1.00 0.00 H new ATOM 0 HG23 VAL A 98 110.066 13.141 -6.525 1.00 0.00 H new ATOM 1593 N PRO A 99 107.721 15.451 -4.590 1.00 0.00 N ATOM 1594 CA PRO A 99 106.394 15.735 -4.032 1.00 0.00 C ATOM 1595 C PRO A 99 105.858 14.575 -3.199 1.00 0.00 C ATOM 1596 O PRO A 99 104.833 14.701 -2.533 1.00 0.00 O ATOM 1597 CB PRO A 99 105.524 15.950 -5.272 1.00 0.00 C ATOM 1598 CG PRO A 99 106.218 15.201 -6.356 1.00 0.00 C ATOM 1599 CD PRO A 99 107.686 15.305 -6.055 1.00 0.00 C ATOM 0 HA PRO A 99 106.410 16.589 -3.355 1.00 0.00 H new ATOM 0 HB2 PRO A 99 104.513 15.574 -5.116 1.00 0.00 H new ATOM 0 HB3 PRO A 99 105.437 17.009 -5.516 1.00 0.00 H new ATOM 0 HG2 PRO A 99 105.897 14.160 -6.378 1.00 0.00 H new ATOM 0 HG3 PRO A 99 105.989 15.626 -7.333 1.00 0.00 H new ATOM 0 HD2 PRO A 99 108.228 14.418 -6.384 1.00 0.00 H new ATOM 0 HD3 PRO A 99 108.140 16.160 -6.556 1.00 0.00 H new ATOM 1607 N TYR A 100 106.561 13.449 -3.245 1.00 0.00 N ATOM 1608 CA TYR A 100 106.166 12.258 -2.498 1.00 0.00 C ATOM 1609 C TYR A 100 105.212 11.392 -3.313 1.00 0.00 C ATOM 1610 O TYR A 100 105.241 10.165 -3.217 1.00 0.00 O ATOM 1611 CB TYR A 100 105.537 12.647 -1.147 1.00 0.00 C ATOM 1612 CG TYR A 100 104.019 12.566 -1.086 1.00 0.00 C ATOM 1613 CD1 TYR A 100 103.346 11.368 -1.306 1.00 0.00 C ATOM 1614 CD2 TYR A 100 103.260 13.694 -0.793 1.00 0.00 C ATOM 1615 CE1 TYR A 100 101.967 11.299 -1.241 1.00 0.00 C ATOM 1616 CE2 TYR A 100 101.882 13.632 -0.724 1.00 0.00 C ATOM 1617 CZ TYR A 100 101.240 12.433 -0.950 1.00 0.00 C ATOM 1618 OH TYR A 100 99.867 12.368 -0.883 1.00 0.00 O ATOM 0 H TYR A 100 107.412 13.335 -3.795 1.00 0.00 H new ATOM 0 HA TYR A 100 107.063 11.671 -2.300 1.00 0.00 H new ATOM 0 HB2 TYR A 100 105.950 11.999 -0.374 1.00 0.00 H new ATOM 0 HB3 TYR A 100 105.840 13.666 -0.905 1.00 0.00 H new ATOM 0 HD1 TYR A 100 103.911 10.476 -1.532 1.00 0.00 H new ATOM 0 HD2 TYR A 100 103.758 14.636 -0.616 1.00 0.00 H new ATOM 0 HE1 TYR A 100 101.462 10.361 -1.417 1.00 0.00 H new ATOM 0 HE2 TYR A 100 101.310 14.519 -0.494 1.00 0.00 H new ATOM 0 HH TYR A 100 99.508 13.254 -0.667 1.00 0.00 H new ATOM 1628 N LYS A 101 104.365 12.033 -4.111 1.00 0.00 N ATOM 1629 CA LYS A 101 103.399 11.312 -4.933 1.00 0.00 C ATOM 1630 C LYS A 101 104.097 10.329 -5.867 1.00 0.00 C ATOM 1631 O LYS A 101 103.631 9.207 -6.062 1.00 0.00 O ATOM 1632 CB LYS A 101 102.559 12.297 -5.747 1.00 0.00 C ATOM 1633 CG LYS A 101 101.129 12.435 -5.249 1.00 0.00 C ATOM 1634 CD LYS A 101 100.128 11.972 -6.296 1.00 0.00 C ATOM 1635 CE LYS A 101 98.704 12.331 -5.903 1.00 0.00 C ATOM 1636 NZ LYS A 101 98.519 13.802 -5.765 1.00 0.00 N ATOM 0 H LYS A 101 104.327 13.048 -4.206 1.00 0.00 H new ATOM 0 HA LYS A 101 102.746 10.747 -4.268 1.00 0.00 H new ATOM 0 HB2 LYS A 101 103.039 13.276 -5.724 1.00 0.00 H new ATOM 0 HB3 LYS A 101 102.543 11.974 -6.788 1.00 0.00 H new ATOM 0 HG2 LYS A 101 101.002 11.850 -4.338 1.00 0.00 H new ATOM 0 HG3 LYS A 101 100.931 13.475 -4.990 1.00 0.00 H new ATOM 0 HD2 LYS A 101 100.367 12.428 -7.257 1.00 0.00 H new ATOM 0 HD3 LYS A 101 100.209 10.893 -6.427 1.00 0.00 H new ATOM 0 HE2 LYS A 101 98.013 11.947 -6.653 1.00 0.00 H new ATOM 0 HE3 LYS A 101 98.454 11.844 -4.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 97.507 14.033 -5.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 98.882 14.112 -4.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 99.038 14.290 -6.523 1.00 0.00 H new ATOM 1650 N VAL A 102 105.216 10.755 -6.442 1.00 0.00 N ATOM 1651 CA VAL A 102 105.974 9.907 -7.354 1.00 0.00 C ATOM 1652 C VAL A 102 106.442 8.631 -6.664 1.00 0.00 C ATOM 1653 O VAL A 102 106.508 7.568 -7.280 1.00 0.00 O ATOM 1654 CB VAL A 102 107.201 10.644 -7.916 1.00 0.00 C ATOM 1655 CG1 VAL A 102 106.817 12.031 -8.410 1.00 0.00 C ATOM 1656 CG2 VAL A 102 108.299 10.728 -6.867 1.00 0.00 C ATOM 0 H VAL A 102 105.618 11.681 -6.293 1.00 0.00 H new ATOM 0 HA VAL A 102 105.302 9.650 -8.173 1.00 0.00 H new ATOM 0 HB VAL A 102 107.583 10.077 -8.765 1.00 0.00 H new ATOM 0 HG11 VAL A 102 107.700 12.535 -8.803 1.00 0.00 H new ATOM 0 HG12 VAL A 102 106.069 11.942 -9.198 1.00 0.00 H new ATOM 0 HG13 VAL A 102 106.407 12.611 -7.583 1.00 0.00 H new ATOM 0 HG21 VAL A 102 109.160 11.253 -7.282 1.00 0.00 H new ATOM 0 HG22 VAL A 102 107.930 11.269 -5.996 1.00 0.00 H new ATOM 0 HG23 VAL A 102 108.596 9.722 -6.570 1.00 0.00 H new ATOM 1666 N ALA A 103 106.771 8.746 -5.382 1.00 0.00 N ATOM 1667 CA ALA A 103 107.240 7.604 -4.607 1.00 0.00 C ATOM 1668 C ALA A 103 106.183 6.507 -4.542 1.00 0.00 C ATOM 1669 O ALA A 103 106.508 5.320 -4.517 1.00 0.00 O ATOM 1670 CB ALA A 103 107.633 8.044 -3.205 1.00 0.00 C ATOM 0 H ALA A 103 106.721 9.619 -4.857 1.00 0.00 H new ATOM 0 HA ALA A 103 108.117 7.195 -5.108 1.00 0.00 H new ATOM 0 HB1 ALA A 103 107.981 7.181 -2.637 1.00 0.00 H new ATOM 0 HB2 ALA A 103 108.431 8.784 -3.266 1.00 0.00 H new ATOM 0 HB3 ALA A 103 106.769 8.482 -2.706 1.00 0.00 H new ATOM 1676 N ILE A 104 104.917 6.910 -4.509 1.00 0.00 N ATOM 1677 CA ILE A 104 103.814 5.958 -4.442 1.00 0.00 C ATOM 1678 C ILE A 104 103.835 5.004 -5.628 1.00 0.00 C ATOM 1679 O ILE A 104 103.427 3.848 -5.517 1.00 0.00 O ATOM 1680 CB ILE A 104 102.455 6.680 -4.400 1.00 0.00 C ATOM 1681 CG1 ILE A 104 102.218 7.282 -3.014 1.00 0.00 C ATOM 1682 CG2 ILE A 104 101.332 5.722 -4.769 1.00 0.00 C ATOM 1683 CD1 ILE A 104 103.480 7.792 -2.355 1.00 0.00 C ATOM 0 H ILE A 104 104.629 7.888 -4.528 1.00 0.00 H new ATOM 0 HA ILE A 104 103.944 5.387 -3.522 1.00 0.00 H new ATOM 0 HB ILE A 104 102.467 7.489 -5.130 1.00 0.00 H new ATOM 0 HG12 ILE A 104 101.505 8.102 -3.100 1.00 0.00 H new ATOM 0 HG13 ILE A 104 101.761 6.528 -2.372 1.00 0.00 H new ATOM 0 HG21 ILE A 104 100.378 6.249 -4.734 1.00 0.00 H new ATOM 0 HG22 ILE A 104 101.498 5.337 -5.775 1.00 0.00 H new ATOM 0 HG23 ILE A 104 101.314 4.893 -4.062 1.00 0.00 H new ATOM 0 HD11 ILE A 104 103.238 8.205 -1.376 1.00 0.00 H new ATOM 0 HD12 ILE A 104 104.187 6.970 -2.237 1.00 0.00 H new ATOM 0 HD13 ILE A 104 103.926 8.569 -2.976 1.00 0.00 H new ATOM 1695 N ASN A 105 104.315 5.496 -6.762 1.00 0.00 N ATOM 1696 CA ASN A 105 104.392 4.690 -7.974 1.00 0.00 C ATOM 1697 C ASN A 105 105.290 3.473 -7.768 1.00 0.00 C ATOM 1698 O ASN A 105 105.096 2.432 -8.397 1.00 0.00 O ATOM 1699 CB ASN A 105 104.916 5.532 -9.139 1.00 0.00 C ATOM 1700 CG ASN A 105 104.189 5.243 -10.436 1.00 0.00 C ATOM 1701 OD1 ASN A 105 103.130 4.615 -10.441 1.00 0.00 O ATOM 1702 ND2 ASN A 105 104.754 5.701 -11.548 1.00 0.00 N ATOM 0 H ASN A 105 104.658 6.451 -6.869 1.00 0.00 H new ATOM 0 HA ASN A 105 103.387 4.340 -8.209 1.00 0.00 H new ATOM 0 HB2 ASN A 105 104.811 6.589 -8.895 1.00 0.00 H new ATOM 0 HB3 ASN A 105 105.981 5.340 -9.272 1.00 0.00 H new ATOM 0 HD21 ASN A 105 104.309 5.537 -12.451 1.00 0.00 H new ATOM 0 HD22 ASN A 105 105.632 6.217 -11.499 1.00 0.00 H new ATOM 1709 N GLU A 106 106.279 3.613 -6.891 1.00 0.00 N ATOM 1710 CA GLU A 106 107.212 2.528 -6.608 1.00 0.00 C ATOM 1711 C GLU A 106 106.552 1.420 -5.790 1.00 0.00 C ATOM 1712 O GLU A 106 106.901 0.248 -5.923 1.00 0.00 O ATOM 1713 CB GLU A 106 108.437 3.063 -5.864 1.00 0.00 C ATOM 1714 CG GLU A 106 109.072 4.273 -6.530 1.00 0.00 C ATOM 1715 CD GLU A 106 109.171 4.124 -8.036 1.00 0.00 C ATOM 1716 OE1 GLU A 106 109.380 2.988 -8.508 1.00 0.00 O ATOM 1717 OE2 GLU A 106 109.039 5.146 -8.743 1.00 0.00 O ATOM 0 H GLU A 106 106.455 4.468 -6.364 1.00 0.00 H new ATOM 0 HA GLU A 106 107.524 2.104 -7.562 1.00 0.00 H new ATOM 0 HB2 GLU A 106 108.147 3.329 -4.847 1.00 0.00 H new ATOM 0 HB3 GLU A 106 109.180 2.269 -5.787 1.00 0.00 H new ATOM 0 HG2 GLU A 106 108.487 5.162 -6.294 1.00 0.00 H new ATOM 0 HG3 GLU A 106 110.069 4.429 -6.118 1.00 0.00 H new ATOM 1724 N ALA A 107 105.596 1.795 -4.946 1.00 0.00 N ATOM 1725 CA ALA A 107 104.894 0.829 -4.114 1.00 0.00 C ATOM 1726 C ALA A 107 104.495 -0.391 -4.930 1.00 0.00 C ATOM 1727 O ALA A 107 105.044 -1.479 -4.754 1.00 0.00 O ATOM 1728 CB ALA A 107 103.669 1.470 -3.484 1.00 0.00 C ATOM 0 H ALA A 107 105.291 2.760 -4.822 1.00 0.00 H new ATOM 0 HA ALA A 107 105.566 0.504 -3.319 1.00 0.00 H new ATOM 0 HB1 ALA A 107 103.153 0.737 -2.864 1.00 0.00 H new ATOM 0 HB2 ALA A 107 103.977 2.314 -2.867 1.00 0.00 H new ATOM 0 HB3 ALA A 107 102.997 1.819 -4.268 1.00 0.00 H new ATOM 1734 N ILE A 108 103.534 -0.200 -5.828 1.00 0.00 N ATOM 1735 CA ILE A 108 103.056 -1.284 -6.672 1.00 0.00 C ATOM 1736 C ILE A 108 104.208 -2.011 -7.354 1.00 0.00 C ATOM 1737 O ILE A 108 104.143 -3.219 -7.580 1.00 0.00 O ATOM 1738 CB ILE A 108 102.071 -0.788 -7.748 1.00 0.00 C ATOM 1739 CG1 ILE A 108 101.210 0.356 -7.204 1.00 0.00 C ATOM 1740 CG2 ILE A 108 101.195 -1.938 -8.224 1.00 0.00 C ATOM 1741 CD1 ILE A 108 100.023 0.688 -8.083 1.00 0.00 C ATOM 0 H ILE A 108 103.073 0.695 -5.988 1.00 0.00 H new ATOM 0 HA ILE A 108 102.534 -1.975 -6.010 1.00 0.00 H new ATOM 0 HB ILE A 108 102.642 -0.410 -8.596 1.00 0.00 H new ATOM 0 HG12 ILE A 108 100.852 0.090 -6.209 1.00 0.00 H new ATOM 0 HG13 ILE A 108 101.830 1.246 -7.093 1.00 0.00 H new ATOM 0 HG21 ILE A 108 100.502 -1.577 -8.984 1.00 0.00 H new ATOM 0 HG22 ILE A 108 101.822 -2.722 -8.648 1.00 0.00 H new ATOM 0 HG23 ILE A 108 100.632 -2.339 -7.381 1.00 0.00 H new ATOM 0 HD11 ILE A 108 99.458 1.507 -7.637 1.00 0.00 H new ATOM 0 HD12 ILE A 108 100.374 0.985 -9.071 1.00 0.00 H new ATOM 0 HD13 ILE A 108 99.381 -0.188 -8.174 1.00 0.00 H new ATOM 1753 N GLU A 109 105.262 -1.272 -7.678 1.00 0.00 N ATOM 1754 CA GLU A 109 106.423 -1.859 -8.332 1.00 0.00 C ATOM 1755 C GLU A 109 107.107 -2.861 -7.410 1.00 0.00 C ATOM 1756 O GLU A 109 107.399 -3.990 -7.807 1.00 0.00 O ATOM 1757 CB GLU A 109 107.412 -0.766 -8.742 1.00 0.00 C ATOM 1758 CG GLU A 109 107.320 -0.380 -10.209 1.00 0.00 C ATOM 1759 CD GLU A 109 106.359 0.767 -10.451 1.00 0.00 C ATOM 1760 OE1 GLU A 109 106.800 1.934 -10.383 1.00 0.00 O ATOM 1761 OE2 GLU A 109 105.167 0.500 -10.707 1.00 0.00 O ATOM 0 H GLU A 109 105.336 -0.270 -7.499 1.00 0.00 H new ATOM 0 HA GLU A 109 106.084 -2.382 -9.226 1.00 0.00 H new ATOM 0 HB2 GLU A 109 107.236 0.119 -8.131 1.00 0.00 H new ATOM 0 HB3 GLU A 109 108.425 -1.106 -8.527 1.00 0.00 H new ATOM 0 HG2 GLU A 109 108.310 -0.102 -10.570 1.00 0.00 H new ATOM 0 HG3 GLU A 109 107.000 -1.246 -10.789 1.00 0.00 H new ATOM 1768 N LEU A 110 107.349 -2.440 -6.175 1.00 0.00 N ATOM 1769 CA LEU A 110 107.994 -3.295 -5.187 1.00 0.00 C ATOM 1770 C LEU A 110 107.008 -4.312 -4.617 1.00 0.00 C ATOM 1771 O LEU A 110 107.354 -5.099 -3.737 1.00 0.00 O ATOM 1772 CB LEU A 110 108.582 -2.444 -4.063 1.00 0.00 C ATOM 1773 CG LEU A 110 109.478 -1.292 -4.523 1.00 0.00 C ATOM 1774 CD1 LEU A 110 110.744 -1.232 -3.682 1.00 0.00 C ATOM 1775 CD2 LEU A 110 109.822 -1.440 -5.997 1.00 0.00 C ATOM 0 H LEU A 110 107.108 -1.510 -5.833 1.00 0.00 H new ATOM 0 HA LEU A 110 108.798 -3.841 -5.680 1.00 0.00 H new ATOM 0 HB2 LEU A 110 107.763 -2.033 -3.472 1.00 0.00 H new ATOM 0 HB3 LEU A 110 109.159 -3.091 -3.402 1.00 0.00 H new ATOM 0 HG LEU A 110 108.933 -0.358 -4.390 1.00 0.00 H new ATOM 0 HD11 LEU A 110 111.369 -0.407 -4.024 1.00 0.00 H new ATOM 0 HD12 LEU A 110 110.479 -1.078 -2.636 1.00 0.00 H new ATOM 0 HD13 LEU A 110 111.293 -2.168 -3.783 1.00 0.00 H new ATOM 0 HD21 LEU A 110 110.460 -0.612 -6.307 1.00 0.00 H new ATOM 0 HD22 LEU A 110 110.348 -2.382 -6.155 1.00 0.00 H new ATOM 0 HD23 LEU A 110 108.906 -1.432 -6.587 1.00 0.00 H new ATOM 1787 N ALA A 111 105.780 -4.291 -5.129 1.00 0.00 N ATOM 1788 CA ALA A 111 104.748 -5.214 -4.675 1.00 0.00 C ATOM 1789 C ALA A 111 104.252 -6.090 -5.821 1.00 0.00 C ATOM 1790 O ALA A 111 103.349 -6.907 -5.641 1.00 0.00 O ATOM 1791 CB ALA A 111 103.586 -4.447 -4.057 1.00 0.00 C ATOM 0 H ALA A 111 105.477 -3.645 -5.858 1.00 0.00 H new ATOM 0 HA ALA A 111 105.186 -5.863 -3.917 1.00 0.00 H new ATOM 0 HB1 ALA A 111 102.823 -5.150 -3.723 1.00 0.00 H new ATOM 0 HB2 ALA A 111 103.944 -3.868 -3.206 1.00 0.00 H new ATOM 0 HB3 ALA A 111 103.158 -3.774 -4.800 1.00 0.00 H new ATOM 1797 N LYS A 112 104.843 -5.915 -6.999 1.00 0.00 N ATOM 1798 CA LYS A 112 104.450 -6.692 -8.170 1.00 0.00 C ATOM 1799 C LYS A 112 105.588 -7.595 -8.638 1.00 0.00 C ATOM 1800 O LYS A 112 105.360 -8.588 -9.328 1.00 0.00 O ATOM 1801 CB LYS A 112 104.022 -5.762 -9.306 1.00 0.00 C ATOM 1802 CG LYS A 112 102.546 -5.399 -9.269 1.00 0.00 C ATOM 1803 CD LYS A 112 102.160 -4.512 -10.442 1.00 0.00 C ATOM 1804 CE LYS A 112 100.658 -4.516 -10.671 1.00 0.00 C ATOM 1805 NZ LYS A 112 100.314 -4.355 -12.112 1.00 0.00 N ATOM 0 H LYS A 112 105.593 -5.245 -7.168 1.00 0.00 H new ATOM 0 HA LYS A 112 103.607 -7.322 -7.887 1.00 0.00 H new ATOM 0 HB2 LYS A 112 104.614 -4.848 -9.259 1.00 0.00 H new ATOM 0 HB3 LYS A 112 104.247 -6.239 -10.260 1.00 0.00 H new ATOM 0 HG2 LYS A 112 101.946 -6.309 -9.287 1.00 0.00 H new ATOM 0 HG3 LYS A 112 102.320 -4.886 -8.334 1.00 0.00 H new ATOM 0 HD2 LYS A 112 102.498 -3.493 -10.256 1.00 0.00 H new ATOM 0 HD3 LYS A 112 102.668 -4.857 -11.343 1.00 0.00 H new ATOM 0 HE2 LYS A 112 100.237 -5.450 -10.300 1.00 0.00 H new ATOM 0 HE3 LYS A 112 100.201 -3.710 -10.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 99.280 -4.363 -12.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 100.694 -3.452 -12.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 100.728 -5.138 -12.657 1.00 0.00 H new ATOM 1819 N SER A 113 106.813 -7.242 -8.260 1.00 0.00 N ATOM 1820 CA SER A 113 107.983 -8.024 -8.645 1.00 0.00 C ATOM 1821 C SER A 113 108.840 -8.362 -7.429 1.00 0.00 C ATOM 1822 O SER A 113 109.424 -9.443 -7.351 1.00 0.00 O ATOM 1823 CB SER A 113 108.817 -7.256 -9.673 1.00 0.00 C ATOM 1824 OG SER A 113 109.571 -8.142 -10.482 1.00 0.00 O ATOM 0 H SER A 113 107.021 -6.422 -7.689 1.00 0.00 H new ATOM 0 HA SER A 113 107.635 -8.956 -9.090 1.00 0.00 H new ATOM 0 HB2 SER A 113 108.161 -6.654 -10.301 1.00 0.00 H new ATOM 0 HB3 SER A 113 109.488 -6.567 -9.160 1.00 0.00 H new ATOM 0 HG SER A 113 110.094 -7.627 -11.131 1.00 0.00 H new ATOM 1830 N PHE A 114 108.913 -7.431 -6.484 1.00 0.00 N ATOM 1831 CA PHE A 114 109.701 -7.630 -5.274 1.00 0.00 C ATOM 1832 C PHE A 114 108.909 -8.398 -4.222 1.00 0.00 C ATOM 1833 O PHE A 114 109.329 -8.505 -3.070 1.00 0.00 O ATOM 1834 CB PHE A 114 110.151 -6.283 -4.709 1.00 0.00 C ATOM 1835 CG PHE A 114 111.083 -5.538 -5.619 1.00 0.00 C ATOM 1836 CD1 PHE A 114 110.603 -4.905 -6.754 1.00 0.00 C ATOM 1837 CD2 PHE A 114 112.440 -5.473 -5.342 1.00 0.00 C ATOM 1838 CE1 PHE A 114 111.458 -4.219 -7.596 1.00 0.00 C ATOM 1839 CE2 PHE A 114 113.299 -4.789 -6.180 1.00 0.00 C ATOM 1840 CZ PHE A 114 112.808 -4.162 -7.309 1.00 0.00 C ATOM 0 H PHE A 114 108.436 -6.531 -6.533 1.00 0.00 H new ATOM 0 HA PHE A 114 110.579 -8.219 -5.537 1.00 0.00 H new ATOM 0 HB2 PHE A 114 109.273 -5.666 -4.516 1.00 0.00 H new ATOM 0 HB3 PHE A 114 110.643 -6.445 -3.750 1.00 0.00 H new ATOM 0 HD1 PHE A 114 109.549 -4.948 -6.984 1.00 0.00 H new ATOM 0 HD2 PHE A 114 112.830 -5.962 -4.462 1.00 0.00 H new ATOM 0 HE1 PHE A 114 111.071 -3.728 -8.477 1.00 0.00 H new ATOM 0 HE2 PHE A 114 114.354 -4.744 -5.953 1.00 0.00 H new ATOM 0 HZ PHE A 114 113.479 -3.628 -7.966 1.00 0.00 H new ATOM 1850 N GLY A 115 107.761 -8.933 -4.625 1.00 0.00 N ATOM 1851 CA GLY A 115 106.930 -9.684 -3.704 1.00 0.00 C ATOM 1852 C GLY A 115 105.452 -9.526 -3.996 1.00 0.00 C ATOM 1853 O GLY A 115 104.883 -8.452 -3.795 1.00 0.00 O ATOM 0 H GLY A 115 107.392 -8.860 -5.573 1.00 0.00 H new ATOM 0 HA2 GLY A 115 107.197 -10.740 -3.757 1.00 0.00 H new ATOM 0 HA3 GLY A 115 107.133 -9.355 -2.685 1.00 0.00 H new ATOM 1857 N ALA A 116 104.826 -10.597 -4.470 1.00 0.00 N ATOM 1858 CA ALA A 116 103.404 -10.572 -4.788 1.00 0.00 C ATOM 1859 C ALA A 116 102.561 -10.781 -3.535 1.00 0.00 C ATOM 1860 O ALA A 116 102.752 -11.751 -2.802 1.00 0.00 O ATOM 1861 CB ALA A 116 103.074 -11.629 -5.830 1.00 0.00 C ATOM 0 H ALA A 116 105.281 -11.493 -4.642 1.00 0.00 H new ATOM 0 HA ALA A 116 103.166 -9.590 -5.198 1.00 0.00 H new ATOM 0 HB1 ALA A 116 102.008 -11.597 -6.056 1.00 0.00 H new ATOM 0 HB2 ALA A 116 103.644 -11.434 -6.739 1.00 0.00 H new ATOM 0 HB3 ALA A 116 103.333 -12.615 -5.443 1.00 0.00 H new ATOM 1867 N GLU A 117 101.628 -9.867 -3.297 1.00 0.00 N ATOM 1868 CA GLU A 117 100.755 -9.951 -2.133 1.00 0.00 C ATOM 1869 C GLU A 117 99.407 -10.556 -2.509 1.00 0.00 C ATOM 1870 O GLU A 117 99.174 -11.749 -2.318 1.00 0.00 O ATOM 1871 CB GLU A 117 100.552 -8.564 -1.517 1.00 0.00 C ATOM 1872 CG GLU A 117 100.812 -7.419 -2.484 1.00 0.00 C ATOM 1873 CD GLU A 117 100.633 -6.059 -1.837 1.00 0.00 C ATOM 1874 OE1 GLU A 117 101.118 -5.875 -0.702 1.00 0.00 O ATOM 1875 OE2 GLU A 117 100.010 -5.181 -2.468 1.00 0.00 O ATOM 0 H GLU A 117 101.457 -9.059 -3.895 1.00 0.00 H new ATOM 0 HA GLU A 117 101.233 -10.599 -1.398 1.00 0.00 H new ATOM 0 HB2 GLU A 117 99.530 -8.488 -1.145 1.00 0.00 H new ATOM 0 HB3 GLU A 117 101.213 -8.458 -0.657 1.00 0.00 H new ATOM 0 HG2 GLU A 117 101.826 -7.501 -2.875 1.00 0.00 H new ATOM 0 HG3 GLU A 117 100.135 -7.505 -3.334 1.00 0.00 H new ATOM 1882 N ASP A 118 98.524 -9.723 -3.046 1.00 0.00 N ATOM 1883 CA ASP A 118 97.196 -10.168 -3.453 1.00 0.00 C ATOM 1884 C ASP A 118 96.346 -8.981 -3.892 1.00 0.00 C ATOM 1885 O ASP A 118 95.141 -8.939 -3.640 1.00 0.00 O ATOM 1886 CB ASP A 118 96.508 -10.907 -2.304 1.00 0.00 C ATOM 1887 CG ASP A 118 97.071 -10.526 -0.949 1.00 0.00 C ATOM 1888 OD1 ASP A 118 97.470 -9.354 -0.780 1.00 0.00 O ATOM 1889 OD2 ASP A 118 97.114 -11.400 -0.057 1.00 0.00 O ATOM 0 H ASP A 118 98.704 -8.733 -3.210 1.00 0.00 H new ATOM 0 HA ASP A 118 97.306 -10.850 -4.296 1.00 0.00 H new ATOM 0 HB2 ASP A 118 95.440 -10.690 -2.324 1.00 0.00 H new ATOM 0 HB3 ASP A 118 96.617 -11.982 -2.450 1.00 0.00 H new ATOM 1894 N SER A 119 96.984 -8.017 -4.545 1.00 0.00 N ATOM 1895 CA SER A 119 96.292 -6.824 -5.017 1.00 0.00 C ATOM 1896 C SER A 119 97.186 -6.013 -5.947 1.00 0.00 C ATOM 1897 O SER A 119 96.812 -5.711 -7.080 1.00 0.00 O ATOM 1898 CB SER A 119 95.860 -5.961 -3.832 1.00 0.00 C ATOM 1899 OG SER A 119 95.253 -6.747 -2.821 1.00 0.00 O ATOM 0 H SER A 119 97.981 -8.038 -4.760 1.00 0.00 H new ATOM 0 HA SER A 119 95.408 -7.140 -5.572 1.00 0.00 H new ATOM 0 HB2 SER A 119 96.726 -5.442 -3.422 1.00 0.00 H new ATOM 0 HB3 SER A 119 95.161 -5.196 -4.171 1.00 0.00 H new ATOM 0 HG SER A 119 94.760 -7.487 -3.234 1.00 0.00 H new ATOM 1905 N HIS A 120 98.371 -5.665 -5.458 1.00 0.00 N ATOM 1906 CA HIS A 120 99.325 -4.888 -6.241 1.00 0.00 C ATOM 1907 C HIS A 120 99.039 -3.394 -6.121 1.00 0.00 C ATOM 1908 O HIS A 120 99.786 -2.661 -5.476 1.00 0.00 O ATOM 1909 CB HIS A 120 99.279 -5.311 -7.710 1.00 0.00 C ATOM 1910 CG HIS A 120 99.049 -6.777 -7.906 1.00 0.00 C ATOM 1911 ND1 HIS A 120 99.262 -7.712 -6.915 1.00 0.00 N ATOM 1912 CD2 HIS A 120 98.621 -7.471 -8.987 1.00 0.00 C ATOM 1913 CE1 HIS A 120 98.976 -8.916 -7.378 1.00 0.00 C ATOM 1914 NE2 HIS A 120 98.584 -8.797 -8.633 1.00 0.00 N ATOM 0 H HIS A 120 98.694 -5.909 -4.522 1.00 0.00 H new ATOM 0 HA HIS A 120 100.322 -5.082 -5.846 1.00 0.00 H new ATOM 0 HB2 HIS A 120 98.487 -4.757 -8.214 1.00 0.00 H new ATOM 0 HB3 HIS A 120 100.217 -5.032 -8.189 1.00 0.00 H new ATOM 0 HD2 HIS A 120 98.358 -7.058 -9.949 1.00 0.00 H new ATOM 0 HE1 HIS A 120 99.050 -9.840 -6.824 1.00 0.00 H new ATOM 0 HE2 HIS A 120 98.300 -9.565 -9.241 1.00 0.00 H new ATOM 1923 N LYS A 121 97.955 -2.950 -6.747 1.00 0.00 N ATOM 1924 CA LYS A 121 97.575 -1.542 -6.710 1.00 0.00 C ATOM 1925 C LYS A 121 97.284 -1.086 -5.283 1.00 0.00 C ATOM 1926 O LYS A 121 97.516 0.070 -4.931 1.00 0.00 O ATOM 1927 CB LYS A 121 96.350 -1.302 -7.594 1.00 0.00 C ATOM 1928 CG LYS A 121 96.578 -1.646 -9.057 1.00 0.00 C ATOM 1929 CD LYS A 121 95.268 -1.706 -9.826 1.00 0.00 C ATOM 1930 CE LYS A 121 94.917 -3.131 -10.217 1.00 0.00 C ATOM 1931 NZ LYS A 121 94.514 -3.232 -11.647 1.00 0.00 N ATOM 0 H LYS A 121 97.324 -3.544 -7.286 1.00 0.00 H new ATOM 0 HA LYS A 121 98.413 -0.958 -7.090 1.00 0.00 H new ATOM 0 HB2 LYS A 121 95.518 -1.895 -7.216 1.00 0.00 H new ATOM 0 HB3 LYS A 121 96.056 -0.255 -7.517 1.00 0.00 H new ATOM 0 HG2 LYS A 121 97.233 -0.901 -9.509 1.00 0.00 H new ATOM 0 HG3 LYS A 121 97.089 -2.606 -9.131 1.00 0.00 H new ATOM 0 HD2 LYS A 121 94.467 -1.287 -9.216 1.00 0.00 H new ATOM 0 HD3 LYS A 121 95.342 -1.090 -10.722 1.00 0.00 H new ATOM 0 HE2 LYS A 121 95.774 -3.779 -10.035 1.00 0.00 H new ATOM 0 HE3 LYS A 121 94.105 -3.491 -9.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 94.283 -4.220 -11.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 93.680 -2.634 -11.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 95.297 -2.913 -12.252 1.00 0.00 H new ATOM 1945 N PHE A 122 96.770 -2.000 -4.465 1.00 0.00 N ATOM 1946 CA PHE A 122 96.441 -1.685 -3.079 1.00 0.00 C ATOM 1947 C PHE A 122 97.673 -1.205 -2.319 1.00 0.00 C ATOM 1948 O PHE A 122 97.577 -0.351 -1.438 1.00 0.00 O ATOM 1949 CB PHE A 122 95.846 -2.910 -2.383 1.00 0.00 C ATOM 1950 CG PHE A 122 96.433 -3.175 -1.026 1.00 0.00 C ATOM 1951 CD1 PHE A 122 97.557 -3.973 -0.887 1.00 0.00 C ATOM 1952 CD2 PHE A 122 95.862 -2.623 0.110 1.00 0.00 C ATOM 1953 CE1 PHE A 122 98.100 -4.218 0.360 1.00 0.00 C ATOM 1954 CE2 PHE A 122 96.401 -2.866 1.360 1.00 0.00 C ATOM 1955 CZ PHE A 122 97.521 -3.664 1.485 1.00 0.00 C ATOM 0 H PHE A 122 96.573 -2.963 -4.738 1.00 0.00 H new ATOM 0 HA PHE A 122 95.704 -0.882 -3.083 1.00 0.00 H new ATOM 0 HB2 PHE A 122 94.769 -2.774 -2.283 1.00 0.00 H new ATOM 0 HB3 PHE A 122 95.999 -3.786 -3.013 1.00 0.00 H new ATOM 0 HD1 PHE A 122 98.014 -4.409 -1.763 1.00 0.00 H new ATOM 0 HD2 PHE A 122 94.987 -1.997 0.018 1.00 0.00 H new ATOM 0 HE1 PHE A 122 98.976 -4.842 0.455 1.00 0.00 H new ATOM 0 HE2 PHE A 122 95.946 -2.432 2.238 1.00 0.00 H new ATOM 0 HZ PHE A 122 97.943 -3.855 2.461 1.00 0.00 H new ATOM 1965 N VAL A 123 98.831 -1.754 -2.667 1.00 0.00 N ATOM 1966 CA VAL A 123 100.079 -1.374 -2.019 1.00 0.00 C ATOM 1967 C VAL A 123 100.412 0.092 -2.284 1.00 0.00 C ATOM 1968 O VAL A 123 100.924 0.790 -1.410 1.00 0.00 O ATOM 1969 CB VAL A 123 101.259 -2.264 -2.459 1.00 0.00 C ATOM 1970 CG1 VAL A 123 101.678 -1.959 -3.887 1.00 0.00 C ATOM 1971 CG2 VAL A 123 102.434 -2.084 -1.513 1.00 0.00 C ATOM 0 H VAL A 123 98.931 -2.463 -3.394 1.00 0.00 H new ATOM 0 HA VAL A 123 99.929 -1.519 -0.949 1.00 0.00 H new ATOM 0 HB VAL A 123 100.930 -3.302 -2.422 1.00 0.00 H new ATOM 0 HG11 VAL A 123 102.512 -2.603 -4.167 1.00 0.00 H new ATOM 0 HG12 VAL A 123 100.839 -2.139 -4.559 1.00 0.00 H new ATOM 0 HG13 VAL A 123 101.985 -0.916 -3.961 1.00 0.00 H new ATOM 0 HG21 VAL A 123 103.260 -2.718 -1.835 1.00 0.00 H new ATOM 0 HG22 VAL A 123 102.752 -1.041 -1.522 1.00 0.00 H new ATOM 0 HG23 VAL A 123 102.134 -2.364 -0.503 1.00 0.00 H new ATOM 1981 N ASN A 124 100.127 0.552 -3.497 1.00 0.00 N ATOM 1982 CA ASN A 124 100.404 1.932 -3.876 1.00 0.00 C ATOM 1983 C ASN A 124 99.722 2.912 -2.927 1.00 0.00 C ATOM 1984 O ASN A 124 100.306 3.928 -2.544 1.00 0.00 O ATOM 1985 CB ASN A 124 99.939 2.189 -5.310 1.00 0.00 C ATOM 1986 CG ASN A 124 99.088 3.438 -5.428 1.00 0.00 C ATOM 1987 OD1 ASN A 124 98.053 3.563 -4.774 1.00 0.00 O ATOM 1988 ND2 ASN A 124 99.521 4.371 -6.268 1.00 0.00 N ATOM 0 H ASN A 124 99.704 -0.011 -4.235 1.00 0.00 H new ATOM 0 HA ASN A 124 101.481 2.088 -3.813 1.00 0.00 H new ATOM 0 HB2 ASN A 124 100.809 2.283 -5.960 1.00 0.00 H new ATOM 0 HB3 ASN A 124 99.369 1.330 -5.663 1.00 0.00 H new ATOM 0 HD21 ASN A 124 98.990 5.233 -6.391 1.00 0.00 H new ATOM 0 HD22 ASN A 124 100.385 4.226 -6.790 1.00 0.00 H new ATOM 1995 N GLY A 125 98.489 2.601 -2.547 1.00 0.00 N ATOM 1996 CA GLY A 125 97.753 3.474 -1.653 1.00 0.00 C ATOM 1997 C GLY A 125 98.442 3.650 -0.317 1.00 0.00 C ATOM 1998 O GLY A 125 98.380 4.725 0.279 1.00 0.00 O ATOM 0 H GLY A 125 97.987 1.763 -2.841 1.00 0.00 H new ATOM 0 HA2 GLY A 125 97.627 4.449 -2.124 1.00 0.00 H new ATOM 0 HA3 GLY A 125 96.755 3.066 -1.492 1.00 0.00 H new ATOM 2002 N VAL A 126 99.113 2.605 0.152 1.00 0.00 N ATOM 2003 CA VAL A 126 99.819 2.676 1.423 1.00 0.00 C ATOM 2004 C VAL A 126 100.850 3.794 1.398 1.00 0.00 C ATOM 2005 O VAL A 126 101.011 4.526 2.373 1.00 0.00 O ATOM 2006 CB VAL A 126 100.541 1.357 1.763 1.00 0.00 C ATOM 2007 CG1 VAL A 126 99.796 0.163 1.186 1.00 0.00 C ATOM 2008 CG2 VAL A 126 101.982 1.399 1.267 1.00 0.00 C ATOM 0 H VAL A 126 99.182 1.706 -0.325 1.00 0.00 H new ATOM 0 HA VAL A 126 99.065 2.869 2.186 1.00 0.00 H new ATOM 0 HB VAL A 126 100.556 1.242 2.847 1.00 0.00 H new ATOM 0 HG11 VAL A 126 100.327 -0.755 1.440 1.00 0.00 H new ATOM 0 HG12 VAL A 126 98.789 0.127 1.602 1.00 0.00 H new ATOM 0 HG13 VAL A 126 99.738 0.260 0.102 1.00 0.00 H new ATOM 0 HG21 VAL A 126 102.479 0.461 1.514 1.00 0.00 H new ATOM 0 HG22 VAL A 126 101.991 1.541 0.186 1.00 0.00 H new ATOM 0 HG23 VAL A 126 102.508 2.225 1.746 1.00 0.00 H new ATOM 2018 N LEU A 127 101.545 3.921 0.273 1.00 0.00 N ATOM 2019 CA LEU A 127 102.559 4.953 0.124 1.00 0.00 C ATOM 2020 C LEU A 127 101.920 6.333 0.068 1.00 0.00 C ATOM 2021 O LEU A 127 102.510 7.320 0.506 1.00 0.00 O ATOM 2022 CB LEU A 127 103.402 4.703 -1.126 1.00 0.00 C ATOM 2023 CG LEU A 127 104.901 4.535 -0.865 1.00 0.00 C ATOM 2024 CD1 LEU A 127 105.697 4.782 -2.136 1.00 0.00 C ATOM 2025 CD2 LEU A 127 105.357 5.477 0.239 1.00 0.00 C ATOM 0 H LEU A 127 101.424 3.324 -0.545 1.00 0.00 H new ATOM 0 HA LEU A 127 103.214 4.914 0.995 1.00 0.00 H new ATOM 0 HB2 LEU A 127 103.031 3.807 -1.624 1.00 0.00 H new ATOM 0 HB3 LEU A 127 103.258 5.534 -1.816 1.00 0.00 H new ATOM 0 HG LEU A 127 105.080 3.510 -0.542 1.00 0.00 H new ATOM 0 HD11 LEU A 127 106.760 4.658 -1.929 1.00 0.00 H new ATOM 0 HD12 LEU A 127 105.390 4.069 -2.902 1.00 0.00 H new ATOM 0 HD13 LEU A 127 105.512 5.796 -2.490 1.00 0.00 H new ATOM 0 HD21 LEU A 127 106.425 5.345 0.412 1.00 0.00 H new ATOM 0 HD22 LEU A 127 105.162 6.507 -0.059 1.00 0.00 H new ATOM 0 HD23 LEU A 127 104.811 5.255 1.156 1.00 0.00 H new ATOM 2037 N ASP A 128 100.706 6.398 -0.473 1.00 0.00 N ATOM 2038 CA ASP A 128 99.994 7.663 -0.579 1.00 0.00 C ATOM 2039 C ASP A 128 99.723 8.235 0.805 1.00 0.00 C ATOM 2040 O ASP A 128 99.942 9.418 1.052 1.00 0.00 O ATOM 2041 CB ASP A 128 98.677 7.474 -1.334 1.00 0.00 C ATOM 2042 CG ASP A 128 98.515 8.467 -2.470 1.00 0.00 C ATOM 2043 OD1 ASP A 128 99.544 8.943 -2.994 1.00 0.00 O ATOM 2044 OD2 ASP A 128 97.359 8.767 -2.834 1.00 0.00 O ATOM 0 H ASP A 128 100.199 5.593 -0.842 1.00 0.00 H new ATOM 0 HA ASP A 128 100.618 8.363 -1.134 1.00 0.00 H new ATOM 0 HB2 ASP A 128 98.631 6.460 -1.732 1.00 0.00 H new ATOM 0 HB3 ASP A 128 97.844 7.582 -0.639 1.00 0.00 H new ATOM 2049 N LYS A 129 99.250 7.383 1.707 1.00 0.00 N ATOM 2050 CA LYS A 129 98.960 7.780 3.062 1.00 0.00 C ATOM 2051 C LYS A 129 100.239 7.847 3.898 1.00 0.00 C ATOM 2052 O LYS A 129 100.424 8.768 4.694 1.00 0.00 O ATOM 2053 CB LYS A 129 97.971 6.793 3.669 1.00 0.00 C ATOM 2054 CG LYS A 129 97.845 6.940 5.160 1.00 0.00 C ATOM 2055 CD LYS A 129 96.498 7.522 5.557 1.00 0.00 C ATOM 2056 CE LYS A 129 96.657 8.820 6.332 1.00 0.00 C ATOM 2057 NZ LYS A 129 95.642 8.952 7.412 1.00 0.00 N ATOM 0 H LYS A 129 99.060 6.400 1.511 1.00 0.00 H new ATOM 0 HA LYS A 129 98.520 8.777 3.056 1.00 0.00 H new ATOM 0 HB2 LYS A 129 96.993 6.937 3.210 1.00 0.00 H new ATOM 0 HB3 LYS A 129 98.287 5.777 3.434 1.00 0.00 H new ATOM 0 HG2 LYS A 129 97.975 5.967 5.634 1.00 0.00 H new ATOM 0 HG3 LYS A 129 98.643 7.584 5.531 1.00 0.00 H new ATOM 0 HD2 LYS A 129 95.901 7.702 4.663 1.00 0.00 H new ATOM 0 HD3 LYS A 129 95.953 6.799 6.164 1.00 0.00 H new ATOM 0 HE2 LYS A 129 97.656 8.863 6.766 1.00 0.00 H new ATOM 0 HE3 LYS A 129 96.570 9.664 5.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 95.847 9.799 7.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 94.695 9.039 6.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 95.673 8.110 8.022 1.00 0.00 H new ATOM 2071 N ALA A 130 101.105 6.850 3.728 1.00 0.00 N ATOM 2072 CA ALA A 130 102.356 6.772 4.479 1.00 0.00 C ATOM 2073 C ALA A 130 103.377 7.818 4.031 1.00 0.00 C ATOM 2074 O ALA A 130 104.271 8.184 4.794 1.00 0.00 O ATOM 2075 CB ALA A 130 102.947 5.377 4.349 1.00 0.00 C ATOM 0 H ALA A 130 100.962 6.081 3.073 1.00 0.00 H new ATOM 0 HA ALA A 130 102.122 6.982 5.523 1.00 0.00 H new ATOM 0 HB1 ALA A 130 103.880 5.323 4.910 1.00 0.00 H new ATOM 0 HB2 ALA A 130 102.243 4.645 4.744 1.00 0.00 H new ATOM 0 HB3 ALA A 130 103.143 5.161 3.299 1.00 0.00 H new ATOM 2081 N ALA A 131 103.259 8.280 2.792 1.00 0.00 N ATOM 2082 CA ALA A 131 104.198 9.261 2.254 1.00 0.00 C ATOM 2083 C ALA A 131 104.104 10.607 2.971 1.00 0.00 C ATOM 2084 O ALA A 131 105.062 11.053 3.602 1.00 0.00 O ATOM 2085 CB ALA A 131 103.979 9.438 0.761 1.00 0.00 C ATOM 0 H ALA A 131 102.527 7.994 2.142 1.00 0.00 H new ATOM 0 HA ALA A 131 105.203 8.875 2.426 1.00 0.00 H new ATOM 0 HB1 ALA A 131 104.686 10.172 0.374 1.00 0.00 H new ATOM 0 HB2 ALA A 131 104.132 8.485 0.255 1.00 0.00 H new ATOM 0 HB3 ALA A 131 102.961 9.784 0.581 1.00 0.00 H new ATOM 2091 N PRO A 132 102.947 11.277 2.876 1.00 0.00 N ATOM 2092 CA PRO A 132 102.723 12.587 3.507 1.00 0.00 C ATOM 2093 C PRO A 132 102.776 12.526 5.031 1.00 0.00 C ATOM 2094 O PRO A 132 101.842 12.950 5.713 1.00 0.00 O ATOM 2095 CB PRO A 132 101.319 12.970 3.036 1.00 0.00 C ATOM 2096 CG PRO A 132 100.672 11.670 2.709 1.00 0.00 C ATOM 2097 CD PRO A 132 101.765 10.817 2.138 1.00 0.00 C ATOM 0 HA PRO A 132 103.495 13.305 3.231 1.00 0.00 H new ATOM 0 HB2 PRO A 132 100.771 13.503 3.813 1.00 0.00 H new ATOM 0 HB3 PRO A 132 101.357 13.625 2.166 1.00 0.00 H new ATOM 0 HG2 PRO A 132 100.239 11.211 3.598 1.00 0.00 H new ATOM 0 HG3 PRO A 132 99.862 11.803 1.992 1.00 0.00 H new ATOM 0 HD2 PRO A 132 101.576 9.755 2.297 1.00 0.00 H new ATOM 0 HD3 PRO A 132 101.875 10.964 1.064 1.00 0.00 H new ATOM 2105 N VAL A 133 103.879 12.009 5.556 1.00 0.00 N ATOM 2106 CA VAL A 133 104.073 11.902 6.996 1.00 0.00 C ATOM 2107 C VAL A 133 105.527 12.184 7.353 1.00 0.00 C ATOM 2108 O VAL A 133 105.824 13.109 8.109 1.00 0.00 O ATOM 2109 CB VAL A 133 103.678 10.510 7.520 1.00 0.00 C ATOM 2110 CG1 VAL A 133 104.329 10.242 8.869 1.00 0.00 C ATOM 2111 CG2 VAL A 133 102.165 10.386 7.617 1.00 0.00 C ATOM 0 H VAL A 133 104.658 11.655 5.001 1.00 0.00 H new ATOM 0 HA VAL A 133 103.427 12.641 7.469 1.00 0.00 H new ATOM 0 HB VAL A 133 104.037 9.761 6.814 1.00 0.00 H new ATOM 0 HG11 VAL A 133 104.038 9.253 9.223 1.00 0.00 H new ATOM 0 HG12 VAL A 133 105.413 10.286 8.765 1.00 0.00 H new ATOM 0 HG13 VAL A 133 104.003 10.995 9.586 1.00 0.00 H new ATOM 0 HG21 VAL A 133 101.904 9.395 7.989 1.00 0.00 H new ATOM 0 HG22 VAL A 133 101.781 11.143 8.301 1.00 0.00 H new ATOM 0 HG23 VAL A 133 101.724 10.531 6.631 1.00 0.00 H new ATOM 2121 N ILE A 134 106.433 11.392 6.786 1.00 0.00 N ATOM 2122 CA ILE A 134 107.855 11.564 7.021 1.00 0.00 C ATOM 2123 C ILE A 134 108.306 12.936 6.535 1.00 0.00 C ATOM 2124 O ILE A 134 109.342 13.452 6.957 1.00 0.00 O ATOM 2125 CB ILE A 134 108.663 10.475 6.294 1.00 0.00 C ATOM 2126 CG1 ILE A 134 109.551 9.726 7.281 1.00 0.00 C ATOM 2127 CG2 ILE A 134 109.498 11.089 5.181 1.00 0.00 C ATOM 2128 CD1 ILE A 134 109.170 8.275 7.464 1.00 0.00 C ATOM 0 H ILE A 134 106.201 10.622 6.158 1.00 0.00 H new ATOM 0 HA ILE A 134 108.033 11.481 8.093 1.00 0.00 H new ATOM 0 HB ILE A 134 107.967 9.764 5.849 1.00 0.00 H new ATOM 0 HG12 ILE A 134 110.585 9.780 6.939 1.00 0.00 H new ATOM 0 HG13 ILE A 134 109.508 10.228 8.248 1.00 0.00 H new ATOM 0 HG21 ILE A 134 110.064 10.306 4.676 1.00 0.00 H new ATOM 0 HG22 ILE A 134 108.842 11.582 4.464 1.00 0.00 H new ATOM 0 HG23 ILE A 134 110.188 11.819 5.604 1.00 0.00 H new ATOM 0 HD11 ILE A 134 109.847 7.809 8.180 1.00 0.00 H new ATOM 0 HD12 ILE A 134 108.147 8.211 7.836 1.00 0.00 H new ATOM 0 HD13 ILE A 134 109.241 7.757 6.508 1.00 0.00 H new ATOM 2140 N ARG A 135 107.510 13.519 5.645 1.00 0.00 N ATOM 2141 CA ARG A 135 107.801 14.834 5.090 1.00 0.00 C ATOM 2142 C ARG A 135 106.509 15.611 4.859 1.00 0.00 C ATOM 2143 O ARG A 135 105.774 15.348 3.906 1.00 0.00 O ATOM 2144 CB ARG A 135 108.573 14.701 3.775 1.00 0.00 C ATOM 2145 CG ARG A 135 107.920 13.757 2.779 1.00 0.00 C ATOM 2146 CD ARG A 135 107.336 14.510 1.595 1.00 0.00 C ATOM 2147 NE ARG A 135 108.278 15.480 1.043 1.00 0.00 N ATOM 2148 CZ ARG A 135 108.037 16.205 -0.043 1.00 0.00 C ATOM 2149 NH1 ARG A 135 106.887 16.071 -0.690 1.00 0.00 N ATOM 2150 NH2 ARG A 135 108.944 17.065 -0.484 1.00 0.00 N ATOM 0 H ARG A 135 106.652 13.097 5.291 1.00 0.00 H new ATOM 0 HA ARG A 135 108.417 15.379 5.805 1.00 0.00 H new ATOM 0 HB2 ARG A 135 108.670 15.686 3.319 1.00 0.00 H new ATOM 0 HB3 ARG A 135 109.582 14.348 3.990 1.00 0.00 H new ATOM 0 HG2 ARG A 135 108.656 13.035 2.425 1.00 0.00 H new ATOM 0 HG3 ARG A 135 107.132 13.191 3.276 1.00 0.00 H new ATOM 0 HD2 ARG A 135 107.051 13.800 0.819 1.00 0.00 H new ATOM 0 HD3 ARG A 135 106.427 15.024 1.906 1.00 0.00 H new ATOM 0 HE ARG A 135 109.171 15.608 1.518 1.00 0.00 H new ATOM 0 HH11 ARG A 135 106.186 15.410 -0.353 1.00 0.00 H new ATOM 0 HH12 ARG A 135 106.703 16.629 -1.524 1.00 0.00 H new ATOM 0 HH21 ARG A 135 109.829 17.171 0.011 1.00 0.00 H new ATOM 0 HH22 ARG A 135 108.757 17.621 -1.318 1.00 0.00 H new ATOM 2164 N PRO A 136 106.217 16.580 5.737 1.00 0.00 N ATOM 2165 CA PRO A 136 105.008 17.405 5.646 1.00 0.00 C ATOM 2166 C PRO A 136 105.114 18.478 4.568 1.00 0.00 C ATOM 2167 O PRO A 136 104.762 19.635 4.793 1.00 0.00 O ATOM 2168 CB PRO A 136 104.927 18.047 7.030 1.00 0.00 C ATOM 2169 CG PRO A 136 106.344 18.135 7.484 1.00 0.00 C ATOM 2170 CD PRO A 136 107.047 16.939 6.895 1.00 0.00 C ATOM 0 HA PRO A 136 104.130 16.819 5.374 1.00 0.00 H new ATOM 0 HB2 PRO A 136 104.463 19.032 6.984 1.00 0.00 H new ATOM 0 HB3 PRO A 136 104.328 17.444 7.713 1.00 0.00 H new ATOM 0 HG2 PRO A 136 106.805 19.063 7.146 1.00 0.00 H new ATOM 0 HG3 PRO A 136 106.406 18.126 8.572 1.00 0.00 H new ATOM 0 HD2 PRO A 136 108.067 17.181 6.596 1.00 0.00 H new ATOM 0 HD3 PRO A 136 107.111 16.120 7.611 1.00 0.00 H new ATOM 2178 N ASN A 137 105.600 18.083 3.398 1.00 0.00 N ATOM 2179 CA ASN A 137 105.752 19.009 2.283 1.00 0.00 C ATOM 2180 C ASN A 137 104.583 18.886 1.311 1.00 0.00 C ATOM 2181 O ASN A 137 104.753 19.022 0.099 1.00 0.00 O ATOM 2182 CB ASN A 137 107.070 18.749 1.551 1.00 0.00 C ATOM 2183 CG ASN A 137 107.711 20.026 1.043 1.00 0.00 C ATOM 2184 OD1 ASN A 137 108.931 20.182 1.087 1.00 0.00 O ATOM 2185 ND2 ASN A 137 106.889 20.948 0.557 1.00 0.00 N ATOM 0 H ASN A 137 105.896 17.128 3.197 1.00 0.00 H new ATOM 0 HA ASN A 137 105.763 20.022 2.684 1.00 0.00 H new ATOM 0 HB2 ASN A 137 107.762 18.241 2.223 1.00 0.00 H new ATOM 0 HB3 ASN A 137 106.890 18.077 0.712 1.00 0.00 H new ATOM 0 HD21 ASN A 137 107.263 21.828 0.201 1.00 0.00 H new ATOM 0 HD22 ASN A 137 105.884 20.777 0.540 1.00 0.00 H new ATOM 2192 N LYS A 138 103.397 18.628 1.850 1.00 0.00 N ATOM 2193 CA LYS A 138 102.199 18.487 1.031 1.00 0.00 C ATOM 2194 C LYS A 138 101.991 19.716 0.154 1.00 0.00 C ATOM 2195 O LYS A 138 101.221 20.613 0.498 1.00 0.00 O ATOM 2196 CB LYS A 138 100.973 18.265 1.918 1.00 0.00 C ATOM 2197 CG LYS A 138 101.186 17.217 2.998 1.00 0.00 C ATOM 2198 CD LYS A 138 100.645 17.683 4.340 1.00 0.00 C ATOM 2199 CE LYS A 138 101.195 19.049 4.718 1.00 0.00 C ATOM 2200 NZ LYS A 138 101.690 19.079 6.121 1.00 0.00 N ATOM 0 H LYS A 138 103.239 18.512 2.851 1.00 0.00 H new ATOM 0 HA LYS A 138 102.332 17.620 0.384 1.00 0.00 H new ATOM 0 HB2 LYS A 138 100.699 19.209 2.389 1.00 0.00 H new ATOM 0 HB3 LYS A 138 100.132 17.965 1.293 1.00 0.00 H new ATOM 0 HG2 LYS A 138 100.693 16.289 2.708 1.00 0.00 H new ATOM 0 HG3 LYS A 138 102.250 16.998 3.089 1.00 0.00 H new ATOM 0 HD2 LYS A 138 99.557 17.726 4.300 1.00 0.00 H new ATOM 0 HD3 LYS A 138 100.907 16.958 5.111 1.00 0.00 H new ATOM 0 HE2 LYS A 138 102.007 19.313 4.041 1.00 0.00 H new ATOM 0 HE3 LYS A 138 100.417 19.801 4.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 102.178 19.980 6.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 100.886 18.986 6.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 102.352 18.291 6.272 1.00 0.00 H new ATOM 2214 N LYS A 139 102.683 19.753 -0.980 1.00 0.00 N ATOM 2215 CA LYS A 139 102.574 20.874 -1.906 1.00 0.00 C ATOM 2216 C LYS A 139 101.500 20.609 -2.958 1.00 0.00 C ATOM 2217 O LYS A 139 101.663 21.084 -4.101 1.00 0.00 O ATOM 2218 CB LYS A 139 103.919 21.132 -2.588 1.00 0.00 C ATOM 2219 CG LYS A 139 104.256 20.120 -3.671 1.00 0.00 C ATOM 2220 CD LYS A 139 104.439 20.791 -5.022 1.00 0.00 C ATOM 2221 CE LYS A 139 105.128 19.869 -6.014 1.00 0.00 C ATOM 2222 NZ LYS A 139 104.232 19.501 -7.146 1.00 0.00 N ATOM 2223 OXT LYS A 139 100.506 19.928 -2.628 1.00 0.00 O ATOM 0 H LYS A 139 103.325 19.019 -1.280 1.00 0.00 H new ATOM 0 HA LYS A 139 102.288 21.758 -1.335 1.00 0.00 H new ATOM 0 HB2 LYS A 139 103.909 22.130 -3.026 1.00 0.00 H new ATOM 0 HB3 LYS A 139 104.707 21.122 -1.835 1.00 0.00 H new ATOM 0 HG2 LYS A 139 105.168 19.587 -3.402 1.00 0.00 H new ATOM 0 HG3 LYS A 139 103.461 19.378 -3.737 1.00 0.00 H new ATOM 0 HD2 LYS A 139 103.467 21.089 -5.416 1.00 0.00 H new ATOM 0 HD3 LYS A 139 105.027 21.701 -4.901 1.00 0.00 H new ATOM 0 HE2 LYS A 139 106.022 20.357 -6.403 1.00 0.00 H new ATOM 0 HE3 LYS A 139 105.456 18.964 -5.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 139 104.740 18.871 -7.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 139 103.391 19.013 -6.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 139 103.939 20.362 -7.651 1.00 0.00 H new TER 2237 LYS A 139