USER MOD reduce.3.24.130724 H: found=0, std=0, add=1082, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1085 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 97 ASN : amide:sc= 0.449 K(o=1.9,f=-4.6!) USER MOD Set 1.2: A 112 TYR OH : rot 174:sc= 0.668 USER MOD Set 1.3: A 127 LYS NZ :NH3+ -170:sc= 0.802 (180deg=-0.292) USER MOD Set 2.1: A 67 CYS SG : rot -115:sc= -1.22 USER MOD Set 2.2: A 71 CYS SG : rot 95:sc= -0.824 USER MOD Set 2.3: A 98 SER OG : rot 62:sc= 1.43 USER MOD Set 3.1: A 37 TYR OH : rot 159:sc= -2.07! USER MOD Set 3.2: A 53 ASN : amide:sc= 0.324 X(o=-1.7,f=-1.6) USER MOD Set 4.1: A 11 LYS NZ :NH3+ -158:sc= 0.852 (180deg=0.589) USER MOD Set 4.2: A 46 THR OG1 : rot 3:sc= 0.858 USER MOD Single : A 10 ASN : amide:sc= -0.0106 K(o=-0.011,f=-1.1) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= -1.08 K(o=-1.1,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 164:sc= -0.0205 (180deg=-0.212) USER MOD Single : A 22 ASN : amide:sc= -1.45 X(o=-1.4,f=-1.6) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ -167:sc= -0.0243 (180deg=-0.183) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 171:sc=-0.00283 (180deg=-0.0941) USER MOD Single : A 36 HIS : no HE2:sc= 0.631 K(o=0.63,f=-5!) USER MOD Single : A 39 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0887) USER MOD Single : A 41 LYS NZ :NH3+ -162:sc= -0.0475 (180deg=-0.325) USER MOD Single : A 47 ASN : amide:sc= -2.9! K(o=-2.9!,f=-0.56) USER MOD Single : A 48 MET CE :methyl 134:sc= -2.82 (180deg=-8.24!) USER MOD Single : A 49 THR OG1 : rot 81:sc= 1.25 USER MOD Single : A 50 TYR OH : rot 180:sc= -0.0309 USER MOD Single : A 52 THR OG1 : rot -4:sc= 0.396 USER MOD Single : A 54 GLN : amide:sc= -5.18! C(o=-5.2!,f=-3.1!) USER MOD Single : A 58 TYR OH : rot 30:sc= -0.23 USER MOD Single : A 61 LYS NZ :NH3+ -164:sc= 0.812 (180deg=0.647) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 ASN : amide:sc= -0.318 X(o=-0.32,f=-0.46) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= 0.299 X(o=0.3,f=-0.076) USER MOD Single : A 90 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0374) USER MOD Single : A 92 TYR OH : rot 150:sc= 0 USER MOD Single : A 99 TYR OH : rot 15:sc= -1.71! USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ -167:sc= -0.0162 (180deg=-0.192) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.0891) USER MOD Single : A 110 HIS : no HE2:sc= -0.188 K(o=-0.19,f=-1.3) USER MOD Single : A 113 ASN : amide:sc= 0 X(o=0,f=-0.0027) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 SER OG : rot 118:sc= -0.512 USER MOD Single : A 119 HIS : no HE2:sc= -1.53 K(o=-1.5,f=-4.1!) USER MOD Single : A 121 THR OG1 : rot 180:sc= -0.228 USER MOD Single : A 126 LYS NZ :NH3+ 164:sc= -0.0299 (180deg=-0.282) USER MOD Single : A 128 CYS SG : rot 180:sc= -2.8! USER MOD Single : A 129 GLN : amide:sc= -0.935 K(o=-0.94,f=0) USER MOD Single : A 130 GLN : amide:sc= -1.73! K(o=-1.7!,f=-1.1) USER MOD Single : A 133 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 138 GLN : amide:sc= -0.0359 K(o=-0.036,f=-0.67) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 9 25.953 -5.890 0.972 1.00 1.26 N ATOM 2 CA GLU A 9 24.674 -6.307 0.356 1.00 1.05 C ATOM 3 C GLU A 9 23.681 -5.155 0.388 1.00 0.90 C ATOM 4 O GLU A 9 23.635 -4.376 1.342 1.00 0.98 O ATOM 5 CB GLU A 9 24.080 -7.502 1.102 1.00 1.37 C ATOM 6 CG GLU A 9 23.686 -7.181 2.529 1.00 2.20 C ATOM 7 CD GLU A 9 22.828 -8.259 3.145 1.00 2.80 C ATOM 8 OE1 GLU A 9 21.637 -8.341 2.788 1.00 3.20 O ATOM 9 OE2 GLU A 9 23.335 -9.023 3.988 1.00 3.26 O ATOM 0 HA GLU A 9 24.871 -6.594 -0.677 1.00 1.05 H new ATOM 0 HB2 GLU A 9 23.203 -7.860 0.562 1.00 1.37 H new ATOM 0 HB3 GLU A 9 24.805 -8.316 1.107 1.00 1.37 H new ATOM 0 HG2 GLU A 9 24.585 -7.048 3.130 1.00 2.20 H new ATOM 0 HG3 GLU A 9 23.146 -6.234 2.550 1.00 2.20 H new ATOM 18 N ASN A 10 22.894 -5.041 -0.663 1.00 0.79 N ATOM 19 CA ASN A 10 21.900 -3.990 -0.745 1.00 0.66 C ATOM 20 C ASN A 10 20.616 -4.393 -0.034 1.00 0.59 C ATOM 21 O ASN A 10 19.832 -3.540 0.349 1.00 0.53 O ATOM 22 CB ASN A 10 21.617 -3.610 -2.201 1.00 0.62 C ATOM 23 CG ASN A 10 22.809 -2.955 -2.872 1.00 1.14 C ATOM 24 OD1 ASN A 10 23.634 -2.312 -2.217 1.00 1.94 O ATOM 25 ND2 ASN A 10 22.900 -3.097 -4.185 1.00 1.45 N ATOM 0 H ASN A 10 22.923 -5.662 -1.471 1.00 0.79 H new ATOM 0 HA ASN A 10 22.305 -3.113 -0.240 1.00 0.66 H new ATOM 0 HB2 ASN A 10 21.336 -4.504 -2.758 1.00 0.62 H new ATOM 0 HB3 ASN A 10 20.765 -2.931 -2.237 1.00 0.62 H new ATOM 0 HD21 ASN A 10 23.673 -2.667 -4.692 1.00 1.45 H new ATOM 0 HD22 ASN A 10 22.197 -3.637 -4.690 1.00 1.45 H new ATOM 32 N LYS A 11 20.409 -5.694 0.139 1.00 0.63 N ATOM 33 CA LYS A 11 19.219 -6.211 0.824 1.00 0.62 C ATOM 34 C LYS A 11 19.092 -5.642 2.238 1.00 0.62 C ATOM 35 O LYS A 11 18.084 -5.018 2.581 1.00 0.58 O ATOM 36 CB LYS A 11 19.283 -7.737 0.892 1.00 0.71 C ATOM 37 CG LYS A 11 19.233 -8.415 -0.465 1.00 0.79 C ATOM 38 CD LYS A 11 17.804 -8.572 -0.949 1.00 1.12 C ATOM 39 CE LYS A 11 17.741 -9.222 -2.322 1.00 1.50 C ATOM 40 NZ LYS A 11 16.339 -9.405 -2.778 1.00 2.19 N ATOM 0 H LYS A 11 21.051 -6.417 -0.186 1.00 0.63 H new ATOM 0 HA LYS A 11 18.344 -5.900 0.253 1.00 0.62 H new ATOM 0 HB2 LYS A 11 20.202 -8.030 1.400 1.00 0.71 H new ATOM 0 HB3 LYS A 11 18.453 -8.099 1.499 1.00 0.71 H new ATOM 0 HG2 LYS A 11 19.802 -7.830 -1.188 1.00 0.79 H new ATOM 0 HG3 LYS A 11 19.708 -9.394 -0.403 1.00 0.79 H new ATOM 0 HD2 LYS A 11 17.243 -9.175 -0.235 1.00 1.12 H new ATOM 0 HD3 LYS A 11 17.324 -7.594 -0.987 1.00 1.12 H new ATOM 0 HE2 LYS A 11 18.281 -8.606 -3.042 1.00 1.50 H new ATOM 0 HE3 LYS A 11 18.243 -10.189 -2.290 1.00 1.50 H new ATOM 0 HZ1 LYS A 11 16.303 -10.153 -3.499 1.00 2.19 H new ATOM 0 HZ2 LYS A 11 15.743 -9.675 -1.969 1.00 2.19 H new ATOM 0 HZ3 LYS A 11 15.987 -8.515 -3.185 1.00 2.19 H new ATOM 54 N LYS A 12 20.110 -5.873 3.059 1.00 0.70 N ATOM 55 CA LYS A 12 20.148 -5.335 4.417 1.00 0.74 C ATOM 56 C LYS A 12 20.078 -3.810 4.395 1.00 0.66 C ATOM 57 O LYS A 12 19.351 -3.196 5.178 1.00 0.63 O ATOM 58 CB LYS A 12 21.426 -5.787 5.123 1.00 0.90 C ATOM 59 CG LYS A 12 21.612 -5.191 6.507 1.00 1.54 C ATOM 60 CD LYS A 12 22.929 -5.628 7.125 1.00 2.02 C ATOM 61 CE LYS A 12 23.140 -4.996 8.489 1.00 2.38 C ATOM 62 NZ LYS A 12 24.412 -5.442 9.113 1.00 2.83 N ATOM 0 H LYS A 12 20.925 -6.432 2.807 1.00 0.70 H new ATOM 0 HA LYS A 12 19.283 -5.714 4.962 1.00 0.74 H new ATOM 0 HB2 LYS A 12 21.418 -6.874 5.205 1.00 0.90 H new ATOM 0 HB3 LYS A 12 22.284 -5.520 4.506 1.00 0.90 H new ATOM 0 HG2 LYS A 12 21.581 -4.103 6.444 1.00 1.54 H new ATOM 0 HG3 LYS A 12 20.787 -5.497 7.151 1.00 1.54 H new ATOM 0 HD2 LYS A 12 22.945 -6.714 7.219 1.00 2.02 H new ATOM 0 HD3 LYS A 12 23.751 -5.353 6.464 1.00 2.02 H new ATOM 0 HE2 LYS A 12 23.145 -3.911 8.390 1.00 2.38 H new ATOM 0 HE3 LYS A 12 22.305 -5.253 9.142 1.00 2.38 H new ATOM 0 HZ1 LYS A 12 24.520 -4.989 10.043 1.00 2.83 H new ATOM 0 HZ2 LYS A 12 24.397 -6.475 9.231 1.00 2.83 H new ATOM 0 HZ3 LYS A 12 25.211 -5.175 8.503 1.00 2.83 H new ATOM 76 N GLN A 13 20.838 -3.211 3.487 1.00 0.64 N ATOM 77 CA GLN A 13 20.875 -1.770 3.336 1.00 0.59 C ATOM 78 C GLN A 13 19.498 -1.227 2.951 1.00 0.50 C ATOM 79 O GLN A 13 19.131 -0.118 3.329 1.00 0.49 O ATOM 80 CB GLN A 13 21.905 -1.407 2.272 1.00 0.62 C ATOM 81 CG GLN A 13 22.583 -0.080 2.516 1.00 0.90 C ATOM 82 CD GLN A 13 23.585 0.270 1.432 1.00 1.51 C ATOM 83 OE1 GLN A 13 23.806 1.441 1.131 1.00 2.07 O ATOM 84 NE2 GLN A 13 24.201 -0.743 0.841 1.00 2.26 N ATOM 0 H GLN A 13 21.443 -3.713 2.838 1.00 0.64 H new ATOM 0 HA GLN A 13 21.157 -1.319 4.287 1.00 0.59 H new ATOM 0 HB2 GLN A 13 22.662 -2.190 2.229 1.00 0.62 H new ATOM 0 HB3 GLN A 13 21.416 -1.382 1.298 1.00 0.62 H new ATOM 0 HG2 GLN A 13 21.828 0.704 2.575 1.00 0.90 H new ATOM 0 HG3 GLN A 13 23.091 -0.107 3.480 1.00 0.90 H new ATOM 0 HE21 GLN A 13 23.989 -1.701 1.120 1.00 2.26 H new ATOM 0 HE22 GLN A 13 24.887 -0.565 0.107 1.00 2.26 H new ATOM 93 N ALA A 14 18.746 -2.024 2.200 1.00 0.46 N ATOM 94 CA ALA A 14 17.398 -1.659 1.781 1.00 0.38 C ATOM 95 C ALA A 14 16.492 -1.479 2.991 1.00 0.39 C ATOM 96 O ALA A 14 15.618 -0.615 3.000 1.00 0.36 O ATOM 97 CB ALA A 14 16.836 -2.716 0.834 1.00 0.36 C ATOM 0 H ALA A 14 19.052 -2.938 1.866 1.00 0.46 H new ATOM 0 HA ALA A 14 17.443 -0.709 1.249 1.00 0.38 H new ATOM 0 HB1 ALA A 14 15.829 -2.432 0.528 1.00 0.36 H new ATOM 0 HB2 ALA A 14 17.475 -2.792 -0.046 1.00 0.36 H new ATOM 0 HB3 ALA A 14 16.803 -3.679 1.343 1.00 0.36 H new ATOM 103 N LEU A 15 16.710 -2.294 4.020 1.00 0.45 N ATOM 104 CA LEU A 15 15.966 -2.151 5.265 1.00 0.47 C ATOM 105 C LEU A 15 16.284 -0.816 5.911 1.00 0.49 C ATOM 106 O LEU A 15 15.401 -0.148 6.451 1.00 0.49 O ATOM 107 CB LEU A 15 16.294 -3.284 6.238 1.00 0.54 C ATOM 108 CG LEU A 15 15.628 -4.627 5.939 1.00 1.13 C ATOM 109 CD1 LEU A 15 16.140 -5.689 6.894 1.00 1.98 C ATOM 110 CD2 LEU A 15 14.117 -4.506 6.049 1.00 1.31 C ATOM 0 H LEU A 15 17.390 -3.054 4.016 1.00 0.45 H new ATOM 0 HA LEU A 15 14.903 -2.198 5.028 1.00 0.47 H new ATOM 0 HB2 LEU A 15 17.374 -3.429 6.247 1.00 0.54 H new ATOM 0 HB3 LEU A 15 16.006 -2.971 7.242 1.00 0.54 H new ATOM 0 HG LEU A 15 15.879 -4.920 4.920 1.00 1.13 H new ATOM 0 HD11 LEU A 15 15.658 -6.641 6.671 1.00 1.98 H new ATOM 0 HD12 LEU A 15 17.219 -5.792 6.779 1.00 1.98 H new ATOM 0 HD13 LEU A 15 15.911 -5.398 7.919 1.00 1.98 H new ATOM 0 HD21 LEU A 15 13.658 -5.471 5.833 1.00 1.31 H new ATOM 0 HD22 LEU A 15 13.849 -4.195 7.059 1.00 1.31 H new ATOM 0 HD23 LEU A 15 13.758 -3.766 5.334 1.00 1.31 H new ATOM 122 N LYS A 16 17.549 -0.427 5.836 1.00 0.51 N ATOM 123 CA LYS A 16 17.995 0.842 6.386 1.00 0.54 C ATOM 124 C LYS A 16 17.371 1.992 5.603 1.00 0.48 C ATOM 125 O LYS A 16 16.899 2.969 6.184 1.00 0.49 O ATOM 126 CB LYS A 16 19.523 0.928 6.342 1.00 0.62 C ATOM 127 CG LYS A 16 20.100 2.086 7.140 1.00 0.79 C ATOM 128 CD LYS A 16 19.831 1.926 8.628 1.00 1.64 C ATOM 129 CE LYS A 16 20.449 3.058 9.430 1.00 1.89 C ATOM 130 NZ LYS A 16 20.203 2.902 10.887 1.00 2.88 N ATOM 0 H LYS A 16 18.287 -0.977 5.397 1.00 0.51 H new ATOM 0 HA LYS A 16 17.677 0.913 7.426 1.00 0.54 H new ATOM 0 HB2 LYS A 16 19.940 -0.005 6.721 1.00 0.62 H new ATOM 0 HB3 LYS A 16 19.842 1.021 5.304 1.00 0.62 H new ATOM 0 HG2 LYS A 16 21.175 2.148 6.968 1.00 0.79 H new ATOM 0 HG3 LYS A 16 19.666 3.023 6.789 1.00 0.79 H new ATOM 0 HD2 LYS A 16 18.756 1.899 8.804 1.00 1.64 H new ATOM 0 HD3 LYS A 16 20.234 0.973 8.971 1.00 1.64 H new ATOM 0 HE2 LYS A 16 21.523 3.091 9.244 1.00 1.89 H new ATOM 0 HE3 LYS A 16 20.038 4.009 9.092 1.00 1.89 H new ATOM 0 HZ1 LYS A 16 20.640 3.694 11.400 1.00 2.88 H new ATOM 0 HZ2 LYS A 16 19.179 2.896 11.067 1.00 2.88 H new ATOM 0 HZ3 LYS A 16 20.617 2.006 11.215 1.00 2.88 H new ATOM 144 N GLU A 17 17.360 1.860 4.281 1.00 0.42 N ATOM 145 CA GLU A 17 16.734 2.848 3.415 1.00 0.38 C ATOM 146 C GLU A 17 15.231 2.945 3.667 1.00 0.35 C ATOM 147 O GLU A 17 14.665 4.034 3.619 1.00 0.34 O ATOM 148 CB GLU A 17 17.022 2.527 1.946 1.00 0.35 C ATOM 149 CG GLU A 17 18.455 2.811 1.538 1.00 0.39 C ATOM 150 CD GLU A 17 18.933 4.178 2.000 1.00 0.42 C ATOM 151 OE1 GLU A 17 18.356 5.201 1.568 1.00 0.39 O ATOM 152 OE2 GLU A 17 19.894 4.237 2.796 1.00 0.54 O ATOM 0 H GLU A 17 17.780 1.074 3.785 1.00 0.42 H new ATOM 0 HA GLU A 17 17.166 3.821 3.650 1.00 0.38 H new ATOM 0 HB2 GLU A 17 16.801 1.476 1.761 1.00 0.35 H new ATOM 0 HB3 GLU A 17 16.350 3.110 1.316 1.00 0.35 H new ATOM 0 HG2 GLU A 17 19.107 2.042 1.954 1.00 0.39 H new ATOM 0 HG3 GLU A 17 18.540 2.748 0.453 1.00 0.39 H new ATOM 159 N LYS A 18 14.580 1.820 3.957 1.00 0.34 N ATOM 160 CA LYS A 18 13.157 1.856 4.277 1.00 0.34 C ATOM 161 C LYS A 18 12.939 2.581 5.599 1.00 0.40 C ATOM 162 O LYS A 18 11.979 3.328 5.751 1.00 0.41 O ATOM 163 CB LYS A 18 12.542 0.456 4.355 1.00 0.34 C ATOM 164 CG LYS A 18 11.016 0.490 4.401 1.00 0.33 C ATOM 165 CD LYS A 18 10.403 -0.868 4.716 1.00 0.36 C ATOM 166 CE LYS A 18 10.631 -1.278 6.160 1.00 0.50 C ATOM 167 NZ LYS A 18 9.910 -0.391 7.114 1.00 0.80 N ATOM 0 H LYS A 18 15.004 0.893 3.977 1.00 0.34 H new ATOM 0 HA LYS A 18 12.659 2.391 3.468 1.00 0.34 H new ATOM 0 HB2 LYS A 18 12.863 -0.127 3.492 1.00 0.34 H new ATOM 0 HB3 LYS A 18 12.918 -0.054 5.242 1.00 0.34 H new ATOM 0 HG2 LYS A 18 10.696 1.211 5.153 1.00 0.33 H new ATOM 0 HG3 LYS A 18 10.636 0.841 3.441 1.00 0.33 H new ATOM 0 HD2 LYS A 18 9.332 -0.838 4.513 1.00 0.36 H new ATOM 0 HD3 LYS A 18 10.831 -1.621 4.054 1.00 0.36 H new ATOM 0 HE2 LYS A 18 10.300 -2.307 6.301 1.00 0.50 H new ATOM 0 HE3 LYS A 18 11.698 -1.254 6.379 1.00 0.50 H new ATOM 0 HZ1 LYS A 18 9.864 -0.849 8.047 1.00 0.80 H new ATOM 0 HZ2 LYS A 18 10.416 0.514 7.197 1.00 0.80 H new ATOM 0 HZ3 LYS A 18 8.946 -0.218 6.766 1.00 0.80 H new ATOM 181 N GLU A 19 13.839 2.355 6.550 1.00 0.46 N ATOM 182 CA GLU A 19 13.784 3.041 7.836 1.00 0.52 C ATOM 183 C GLU A 19 14.002 4.536 7.652 1.00 0.50 C ATOM 184 O GLU A 19 13.314 5.351 8.258 1.00 0.53 O ATOM 185 CB GLU A 19 14.835 2.484 8.795 1.00 0.58 C ATOM 186 CG GLU A 19 14.598 1.039 9.208 1.00 0.63 C ATOM 187 CD GLU A 19 15.619 0.556 10.216 1.00 1.32 C ATOM 188 OE1 GLU A 19 15.789 1.225 11.258 1.00 1.29 O ATOM 189 OE2 GLU A 19 16.265 -0.483 9.973 1.00 2.32 O ATOM 0 H GLU A 19 14.616 1.701 6.454 1.00 0.46 H new ATOM 0 HA GLU A 19 12.795 2.873 8.263 1.00 0.52 H new ATOM 0 HB2 GLU A 19 15.816 2.560 8.325 1.00 0.58 H new ATOM 0 HB3 GLU A 19 14.861 3.106 9.689 1.00 0.58 H new ATOM 0 HG2 GLU A 19 13.598 0.944 9.632 1.00 0.63 H new ATOM 0 HG3 GLU A 19 14.632 0.401 8.325 1.00 0.63 H new ATOM 196 N LEU A 20 14.966 4.882 6.813 1.00 0.47 N ATOM 197 CA LEU A 20 15.250 6.274 6.491 1.00 0.46 C ATOM 198 C LEU A 20 14.067 6.914 5.773 1.00 0.43 C ATOM 199 O LEU A 20 13.701 8.058 6.049 1.00 0.45 O ATOM 200 CB LEU A 20 16.510 6.364 5.625 1.00 0.45 C ATOM 201 CG LEU A 20 17.804 6.695 6.370 1.00 0.53 C ATOM 202 CD1 LEU A 20 17.720 8.081 6.983 1.00 0.58 C ATOM 203 CD2 LEU A 20 18.095 5.652 7.439 1.00 0.60 C ATOM 0 H LEU A 20 15.571 4.212 6.338 1.00 0.47 H new ATOM 0 HA LEU A 20 15.419 6.818 7.420 1.00 0.46 H new ATOM 0 HB2 LEU A 20 16.643 5.413 5.109 1.00 0.45 H new ATOM 0 HB3 LEU A 20 16.349 7.123 4.859 1.00 0.45 H new ATOM 0 HG LEU A 20 18.625 6.682 5.654 1.00 0.53 H new ATOM 0 HD11 LEU A 20 18.648 8.303 7.510 1.00 0.58 H new ATOM 0 HD12 LEU A 20 17.565 8.818 6.195 1.00 0.58 H new ATOM 0 HD13 LEU A 20 16.887 8.119 7.685 1.00 0.58 H new ATOM 0 HD21 LEU A 20 19.020 5.909 7.955 1.00 0.60 H new ATOM 0 HD22 LEU A 20 17.274 5.627 8.156 1.00 0.60 H new ATOM 0 HD23 LEU A 20 18.200 4.672 6.973 1.00 0.60 H new ATOM 215 N GLY A 21 13.483 6.168 4.847 1.00 0.39 N ATOM 216 CA GLY A 21 12.293 6.623 4.160 1.00 0.37 C ATOM 217 C GLY A 21 11.137 6.817 5.113 1.00 0.40 C ATOM 218 O GLY A 21 10.501 7.864 5.123 1.00 0.41 O ATOM 0 H GLY A 21 13.816 5.248 4.558 1.00 0.39 H new ATOM 0 HA2 GLY A 21 12.505 7.562 3.649 1.00 0.37 H new ATOM 0 HA3 GLY A 21 12.016 5.899 3.394 1.00 0.37 H new ATOM 222 N ASN A 22 10.895 5.814 5.940 1.00 0.43 N ATOM 223 CA ASN A 22 9.778 5.833 6.876 1.00 0.47 C ATOM 224 C ASN A 22 9.976 6.916 7.932 1.00 0.53 C ATOM 225 O ASN A 22 9.021 7.532 8.396 1.00 0.56 O ATOM 226 CB ASN A 22 9.635 4.457 7.535 1.00 0.52 C ATOM 227 CG ASN A 22 8.412 4.339 8.428 1.00 0.59 C ATOM 228 OD1 ASN A 22 7.406 5.024 8.235 1.00 1.27 O ATOM 229 ND2 ASN A 22 8.488 3.448 9.404 1.00 1.23 N ATOM 0 H ASN A 22 11.462 4.967 5.984 1.00 0.43 H new ATOM 0 HA ASN A 22 8.863 6.062 6.329 1.00 0.47 H new ATOM 0 HB2 ASN A 22 9.583 3.694 6.758 1.00 0.52 H new ATOM 0 HB3 ASN A 22 10.528 4.251 8.125 1.00 0.52 H new ATOM 0 HD21 ASN A 22 7.695 3.309 10.030 1.00 1.23 H new ATOM 0 HD22 ASN A 22 9.340 2.901 9.530 1.00 1.23 H new ATOM 236 N ASP A 23 11.228 7.152 8.291 1.00 0.54 N ATOM 237 CA ASP A 23 11.569 8.174 9.272 1.00 0.59 C ATOM 238 C ASP A 23 11.211 9.560 8.747 1.00 0.58 C ATOM 239 O ASP A 23 10.625 10.375 9.460 1.00 0.62 O ATOM 240 CB ASP A 23 13.057 8.103 9.600 1.00 0.61 C ATOM 241 CG ASP A 23 13.412 8.875 10.852 1.00 0.74 C ATOM 242 OD1 ASP A 23 12.989 8.452 11.954 1.00 0.93 O ATOM 243 OD2 ASP A 23 14.124 9.892 10.752 1.00 0.79 O ATOM 0 H ASP A 23 12.031 6.647 7.916 1.00 0.54 H new ATOM 0 HA ASP A 23 10.995 7.992 10.181 1.00 0.59 H new ATOM 0 HB2 ASP A 23 13.349 7.060 9.725 1.00 0.61 H new ATOM 0 HB3 ASP A 23 13.630 8.496 8.760 1.00 0.61 H new ATOM 248 N ALA A 24 11.558 9.809 7.491 1.00 0.53 N ATOM 249 CA ALA A 24 11.198 11.050 6.815 1.00 0.53 C ATOM 250 C ALA A 24 9.686 11.120 6.637 1.00 0.53 C ATOM 251 O ALA A 24 9.065 12.169 6.814 1.00 0.58 O ATOM 252 CB ALA A 24 11.906 11.117 5.474 1.00 0.49 C ATOM 0 H ALA A 24 12.094 9.161 6.914 1.00 0.53 H new ATOM 0 HA ALA A 24 11.511 11.903 7.417 1.00 0.53 H new ATOM 0 HB1 ALA A 24 11.638 12.044 4.967 1.00 0.49 H new ATOM 0 HB2 ALA A 24 12.984 11.087 5.630 1.00 0.49 H new ATOM 0 HB3 ALA A 24 11.605 10.268 4.861 1.00 0.49 H new ATOM 258 N TYR A 25 9.113 9.973 6.310 1.00 0.48 N ATOM 259 CA TYR A 25 7.673 9.805 6.151 1.00 0.49 C ATOM 260 C TYR A 25 6.925 10.237 7.414 1.00 0.59 C ATOM 261 O TYR A 25 5.861 10.856 7.341 1.00 0.63 O ATOM 262 CB TYR A 25 7.406 8.331 5.841 1.00 0.46 C ATOM 263 CG TYR A 25 5.962 7.960 5.641 1.00 0.48 C ATOM 264 CD1 TYR A 25 5.344 8.144 4.414 1.00 0.40 C ATOM 265 CD2 TYR A 25 5.211 7.458 6.687 1.00 0.64 C ATOM 266 CE1 TYR A 25 4.017 7.829 4.234 1.00 0.45 C ATOM 267 CE2 TYR A 25 3.880 7.142 6.521 1.00 0.68 C ATOM 268 CZ TYR A 25 3.317 7.225 5.253 1.00 0.54 C ATOM 269 OH TYR A 25 1.959 7.010 5.109 1.00 0.63 O ATOM 0 H TYR A 25 9.642 9.117 6.144 1.00 0.48 H new ATOM 0 HA TYR A 25 7.313 10.434 5.337 1.00 0.49 H new ATOM 0 HB2 TYR A 25 7.960 8.061 4.942 1.00 0.46 H new ATOM 0 HB3 TYR A 25 7.808 7.728 6.655 1.00 0.46 H new ATOM 0 HD1 TYR A 25 5.913 8.541 3.586 1.00 0.40 H new ATOM 0 HD2 TYR A 25 5.675 7.311 7.651 1.00 0.64 H new ATOM 0 HE1 TYR A 25 3.527 8.055 3.298 1.00 0.45 H new ATOM 0 HE2 TYR A 25 3.282 6.834 7.366 1.00 0.68 H new ATOM 0 HH TYR A 25 1.610 6.574 5.914 1.00 0.63 H new ATOM 279 N LYS A 26 7.498 9.917 8.565 1.00 0.65 N ATOM 280 CA LYS A 26 6.905 10.257 9.854 1.00 0.77 C ATOM 281 C LYS A 26 7.019 11.752 10.145 1.00 0.81 C ATOM 282 O LYS A 26 6.298 12.288 10.988 1.00 0.94 O ATOM 283 CB LYS A 26 7.591 9.463 10.969 1.00 0.82 C ATOM 284 CG LYS A 26 7.372 7.965 10.876 1.00 0.86 C ATOM 285 CD LYS A 26 8.181 7.217 11.920 1.00 1.03 C ATOM 286 CE LYS A 26 8.057 5.715 11.741 1.00 0.90 C ATOM 287 NZ LYS A 26 8.790 4.963 12.793 1.00 1.62 N ATOM 0 H LYS A 26 8.384 9.416 8.634 1.00 0.65 H new ATOM 0 HA LYS A 26 5.847 9.998 9.814 1.00 0.77 H new ATOM 0 HB2 LYS A 26 8.661 9.667 10.942 1.00 0.82 H new ATOM 0 HB3 LYS A 26 7.224 9.816 11.933 1.00 0.82 H new ATOM 0 HG2 LYS A 26 6.313 7.743 11.007 1.00 0.86 H new ATOM 0 HG3 LYS A 26 7.650 7.617 9.881 1.00 0.86 H new ATOM 0 HD2 LYS A 26 9.229 7.509 11.849 1.00 1.03 H new ATOM 0 HD3 LYS A 26 7.839 7.496 12.917 1.00 1.03 H new ATOM 0 HE2 LYS A 26 7.004 5.434 11.762 1.00 0.90 H new ATOM 0 HE3 LYS A 26 8.442 5.434 10.761 1.00 0.90 H new ATOM 0 HZ1 LYS A 26 8.678 3.942 12.632 1.00 1.62 H new ATOM 0 HZ2 LYS A 26 9.799 5.211 12.757 1.00 1.62 H new ATOM 0 HZ3 LYS A 26 8.406 5.210 13.727 1.00 1.62 H new ATOM 301 N LYS A 27 7.915 12.424 9.439 1.00 0.75 N ATOM 302 CA LYS A 27 8.187 13.834 9.690 1.00 0.80 C ATOM 303 C LYS A 27 7.617 14.717 8.582 1.00 0.79 C ATOM 304 O LYS A 27 7.984 15.888 8.464 1.00 0.84 O ATOM 305 CB LYS A 27 9.694 14.059 9.811 1.00 0.80 C ATOM 306 CG LYS A 27 10.333 13.265 10.938 1.00 1.16 C ATOM 307 CD LYS A 27 11.849 13.375 10.922 1.00 1.58 C ATOM 308 CE LYS A 27 12.315 14.802 11.151 1.00 1.93 C ATOM 309 NZ LYS A 27 13.797 14.913 11.116 1.00 2.31 N ATOM 0 H LYS A 27 8.468 12.016 8.685 1.00 0.75 H new ATOM 0 HA LYS A 27 7.700 14.110 10.625 1.00 0.80 H new ATOM 0 HB2 LYS A 27 10.171 13.788 8.869 1.00 0.80 H new ATOM 0 HB3 LYS A 27 9.884 15.120 9.971 1.00 0.80 H new ATOM 0 HG2 LYS A 27 9.953 13.623 11.895 1.00 1.16 H new ATOM 0 HG3 LYS A 27 10.044 12.217 10.853 1.00 1.16 H new ATOM 0 HD2 LYS A 27 12.268 12.728 11.693 1.00 1.58 H new ATOM 0 HD3 LYS A 27 12.229 13.018 9.965 1.00 1.58 H new ATOM 0 HE2 LYS A 27 11.884 15.451 10.389 1.00 1.93 H new ATOM 0 HE3 LYS A 27 11.947 15.154 12.115 1.00 1.93 H new ATOM 0 HZ1 LYS A 27 14.075 15.902 11.276 1.00 2.31 H new ATOM 0 HZ2 LYS A 27 14.208 14.313 11.860 1.00 2.31 H new ATOM 0 HZ3 LYS A 27 14.147 14.601 10.187 1.00 2.31 H new ATOM 323 N LYS A 28 6.714 14.147 7.782 1.00 0.77 N ATOM 324 CA LYS A 28 6.092 14.852 6.657 1.00 0.80 C ATOM 325 C LYS A 28 7.108 15.209 5.576 1.00 0.71 C ATOM 326 O LYS A 28 6.833 16.019 4.690 1.00 0.75 O ATOM 327 CB LYS A 28 5.354 16.097 7.142 1.00 0.96 C ATOM 328 CG LYS A 28 4.148 15.780 8.008 1.00 1.07 C ATOM 329 CD LYS A 28 3.650 17.016 8.730 1.00 1.24 C ATOM 330 CE LYS A 28 2.406 16.727 9.557 1.00 1.77 C ATOM 331 NZ LYS A 28 1.254 16.311 8.715 1.00 2.39 N ATOM 0 H LYS A 28 6.393 13.185 7.894 1.00 0.77 H new ATOM 0 HA LYS A 28 5.368 14.173 6.207 1.00 0.80 H new ATOM 0 HB2 LYS A 28 6.044 16.723 7.707 1.00 0.96 H new ATOM 0 HB3 LYS A 28 5.030 16.679 6.279 1.00 0.96 H new ATOM 0 HG2 LYS A 28 3.350 15.371 7.388 1.00 1.07 H new ATOM 0 HG3 LYS A 28 4.411 15.012 8.736 1.00 1.07 H new ATOM 0 HD2 LYS A 28 4.437 17.399 9.380 1.00 1.24 H new ATOM 0 HD3 LYS A 28 3.429 17.797 8.003 1.00 1.24 H new ATOM 0 HE2 LYS A 28 2.627 15.942 10.280 1.00 1.77 H new ATOM 0 HE3 LYS A 28 2.135 17.617 10.125 1.00 1.77 H new ATOM 0 HZ1 LYS A 28 0.382 16.338 9.281 1.00 2.39 H new ATOM 0 HZ2 LYS A 28 1.162 16.960 7.907 1.00 2.39 H new ATOM 0 HZ3 LYS A 28 1.410 15.344 8.366 1.00 2.39 H new ATOM 345 N ASP A 29 8.278 14.592 5.645 1.00 0.64 N ATOM 346 CA ASP A 29 9.257 14.686 4.582 1.00 0.59 C ATOM 347 C ASP A 29 8.949 13.611 3.552 1.00 0.50 C ATOM 348 O ASP A 29 9.739 12.698 3.335 1.00 0.47 O ATOM 349 CB ASP A 29 10.676 14.513 5.138 1.00 0.60 C ATOM 350 CG ASP A 29 11.205 15.761 5.813 1.00 0.93 C ATOM 351 OD1 ASP A 29 11.753 16.637 5.112 1.00 1.62 O ATOM 352 OD2 ASP A 29 11.058 15.884 7.049 1.00 1.39 O ATOM 0 H ASP A 29 8.571 14.017 6.435 1.00 0.64 H new ATOM 0 HA ASP A 29 9.205 15.670 4.116 1.00 0.59 H new ATOM 0 HB2 ASP A 29 10.682 13.690 5.853 1.00 0.60 H new ATOM 0 HB3 ASP A 29 11.347 14.234 4.325 1.00 0.60 H new ATOM 357 N PHE A 30 7.781 13.730 2.932 1.00 0.49 N ATOM 358 CA PHE A 30 7.239 12.674 2.088 1.00 0.44 C ATOM 359 C PHE A 30 8.081 12.447 0.838 1.00 0.42 C ATOM 360 O PHE A 30 8.261 11.309 0.413 1.00 0.43 O ATOM 361 CB PHE A 30 5.781 12.974 1.724 1.00 0.45 C ATOM 362 CG PHE A 30 4.864 12.940 2.916 1.00 0.50 C ATOM 363 CD1 PHE A 30 4.495 11.739 3.498 1.00 0.52 C ATOM 364 CD2 PHE A 30 4.359 14.116 3.445 1.00 0.64 C ATOM 365 CE1 PHE A 30 3.644 11.712 4.584 1.00 0.58 C ATOM 366 CE2 PHE A 30 3.506 14.095 4.532 1.00 0.71 C ATOM 367 CZ PHE A 30 3.192 12.862 5.135 1.00 0.66 C ATOM 0 H PHE A 30 7.187 14.556 3.000 1.00 0.49 H new ATOM 0 HA PHE A 30 7.271 11.748 2.662 1.00 0.44 H new ATOM 0 HB2 PHE A 30 5.723 13.956 1.255 1.00 0.45 H new ATOM 0 HB3 PHE A 30 5.438 12.248 0.987 1.00 0.45 H new ATOM 0 HD1 PHE A 30 4.878 10.812 3.097 1.00 0.52 H new ATOM 0 HD2 PHE A 30 4.635 15.062 3.002 1.00 0.64 H new ATOM 0 HE1 PHE A 30 3.336 10.763 4.998 1.00 0.58 H new ATOM 0 HE2 PHE A 30 3.085 15.013 4.914 1.00 0.71 H new ATOM 0 HZ PHE A 30 2.593 12.834 6.033 1.00 0.66 H new ATOM 377 N ASP A 31 8.618 13.512 0.259 1.00 0.46 N ATOM 378 CA ASP A 31 9.471 13.364 -0.917 1.00 0.48 C ATOM 379 C ASP A 31 10.754 12.645 -0.534 1.00 0.44 C ATOM 380 O ASP A 31 11.223 11.762 -1.248 1.00 0.42 O ATOM 381 CB ASP A 31 9.800 14.714 -1.557 1.00 0.57 C ATOM 382 CG ASP A 31 8.580 15.402 -2.132 1.00 1.30 C ATOM 383 OD1 ASP A 31 8.182 15.061 -3.266 1.00 1.93 O ATOM 384 OD2 ASP A 31 8.012 16.287 -1.456 1.00 1.61 O ATOM 0 H ASP A 31 8.483 14.472 0.575 1.00 0.46 H new ATOM 0 HA ASP A 31 8.924 12.776 -1.653 1.00 0.48 H new ATOM 0 HB2 ASP A 31 10.260 15.362 -0.811 1.00 0.57 H new ATOM 0 HB3 ASP A 31 10.535 14.567 -2.348 1.00 0.57 H new ATOM 389 N THR A 32 11.298 13.019 0.612 1.00 0.45 N ATOM 390 CA THR A 32 12.484 12.375 1.153 1.00 0.45 C ATOM 391 C THR A 32 12.177 10.923 1.533 1.00 0.39 C ATOM 392 O THR A 32 13.006 10.027 1.353 1.00 0.38 O ATOM 393 CB THR A 32 12.976 13.146 2.391 1.00 0.50 C ATOM 394 OG1 THR A 32 13.179 14.524 2.048 1.00 0.57 O ATOM 395 CG2 THR A 32 14.265 12.564 2.942 1.00 0.52 C ATOM 0 H THR A 32 10.932 13.774 1.192 1.00 0.45 H new ATOM 0 HA THR A 32 13.264 12.379 0.391 1.00 0.45 H new ATOM 0 HB THR A 32 12.213 13.059 3.165 1.00 0.50 H new ATOM 0 HG1 THR A 32 13.491 15.015 2.837 1.00 0.57 H new ATOM 0 HG21 THR A 32 14.579 13.136 3.815 1.00 0.52 H new ATOM 0 HG22 THR A 32 14.102 11.525 3.229 1.00 0.52 H new ATOM 0 HG23 THR A 32 15.041 12.612 2.179 1.00 0.52 H new ATOM 403 N ALA A 33 10.978 10.707 2.057 1.00 0.38 N ATOM 404 CA ALA A 33 10.505 9.372 2.386 1.00 0.36 C ATOM 405 C ALA A 33 10.475 8.501 1.146 1.00 0.30 C ATOM 406 O ALA A 33 11.119 7.453 1.089 1.00 0.28 O ATOM 407 CB ALA A 33 9.117 9.446 2.995 1.00 0.39 C ATOM 0 H ALA A 33 10.310 11.449 2.265 1.00 0.38 H new ATOM 0 HA ALA A 33 11.190 8.931 3.110 1.00 0.36 H new ATOM 0 HB1 ALA A 33 8.772 8.441 3.238 1.00 0.39 H new ATOM 0 HB2 ALA A 33 9.150 10.048 3.903 1.00 0.39 H new ATOM 0 HB3 ALA A 33 8.431 9.903 2.282 1.00 0.39 H new ATOM 413 N LEU A 34 9.747 8.973 0.144 1.00 0.29 N ATOM 414 CA LEU A 34 9.597 8.268 -1.116 1.00 0.26 C ATOM 415 C LEU A 34 10.956 8.088 -1.789 1.00 0.26 C ATOM 416 O LEU A 34 11.159 7.165 -2.571 1.00 0.26 O ATOM 417 CB LEU A 34 8.638 9.046 -2.017 1.00 0.28 C ATOM 418 CG LEU A 34 7.902 8.220 -3.067 1.00 0.33 C ATOM 419 CD1 LEU A 34 8.560 8.339 -4.423 1.00 0.81 C ATOM 420 CD2 LEU A 34 7.840 6.768 -2.654 1.00 0.53 C ATOM 0 H LEU A 34 9.243 9.859 0.185 1.00 0.29 H new ATOM 0 HA LEU A 34 9.183 7.276 -0.933 1.00 0.26 H new ATOM 0 HB2 LEU A 34 7.899 9.542 -1.388 1.00 0.28 H new ATOM 0 HB3 LEU A 34 9.201 9.829 -2.526 1.00 0.28 H new ATOM 0 HG LEU A 34 6.888 8.614 -3.142 1.00 0.33 H new ATOM 0 HD11 LEU A 34 8.011 7.738 -5.148 1.00 0.81 H new ATOM 0 HD12 LEU A 34 8.556 9.382 -4.739 1.00 0.81 H new ATOM 0 HD13 LEU A 34 9.588 7.982 -4.361 1.00 0.81 H new ATOM 0 HD21 LEU A 34 7.311 6.195 -3.416 1.00 0.53 H new ATOM 0 HD22 LEU A 34 8.852 6.378 -2.544 1.00 0.53 H new ATOM 0 HD23 LEU A 34 7.312 6.682 -1.704 1.00 0.53 H new ATOM 432 N LYS A 35 11.885 8.968 -1.449 1.00 0.31 N ATOM 433 CA LYS A 35 13.226 8.936 -2.007 1.00 0.33 C ATOM 434 C LYS A 35 14.010 7.740 -1.471 1.00 0.29 C ATOM 435 O LYS A 35 14.623 7.002 -2.238 1.00 0.30 O ATOM 436 CB LYS A 35 13.949 10.239 -1.660 1.00 0.40 C ATOM 437 CG LYS A 35 14.807 10.806 -2.777 1.00 0.49 C ATOM 438 CD LYS A 35 13.967 11.224 -3.979 1.00 0.53 C ATOM 439 CE LYS A 35 13.070 12.414 -3.660 1.00 0.60 C ATOM 440 NZ LYS A 35 13.848 13.661 -3.439 1.00 1.41 N ATOM 0 H LYS A 35 11.730 9.722 -0.780 1.00 0.31 H new ATOM 0 HA LYS A 35 13.155 8.834 -3.090 1.00 0.33 H new ATOM 0 HB2 LYS A 35 13.207 10.985 -1.376 1.00 0.40 H new ATOM 0 HB3 LYS A 35 14.579 10.067 -0.788 1.00 0.40 H new ATOM 0 HG2 LYS A 35 15.365 11.666 -2.406 1.00 0.49 H new ATOM 0 HG3 LYS A 35 15.540 10.061 -3.087 1.00 0.49 H new ATOM 0 HD2 LYS A 35 14.624 11.478 -4.811 1.00 0.53 H new ATOM 0 HD3 LYS A 35 13.353 10.383 -4.303 1.00 0.53 H new ATOM 0 HE2 LYS A 35 12.367 12.567 -4.479 1.00 0.60 H new ATOM 0 HE3 LYS A 35 12.480 12.194 -2.770 1.00 0.60 H new ATOM 0 HZ1 LYS A 35 13.197 14.470 -3.377 1.00 1.41 H new ATOM 0 HZ2 LYS A 35 14.387 13.581 -2.553 1.00 1.41 H new ATOM 0 HZ3 LYS A 35 14.505 13.806 -4.232 1.00 1.41 H new ATOM 454 N HIS A 36 13.986 7.538 -0.154 1.00 0.29 N ATOM 455 CA HIS A 36 14.675 6.388 0.434 1.00 0.29 C ATOM 456 C HIS A 36 13.884 5.124 0.188 1.00 0.25 C ATOM 457 O HIS A 36 14.440 4.038 0.154 1.00 0.27 O ATOM 458 CB HIS A 36 14.896 6.533 1.932 1.00 0.38 C ATOM 459 CG HIS A 36 15.803 7.644 2.323 1.00 0.38 C ATOM 460 ND1 HIS A 36 17.177 7.554 2.264 1.00 0.43 N ATOM 461 CD2 HIS A 36 15.523 8.871 2.801 1.00 0.40 C ATOM 462 CE1 HIS A 36 17.705 8.686 2.692 1.00 0.47 C ATOM 463 NE2 HIS A 36 16.721 9.505 3.024 1.00 0.46 N ATOM 0 H HIS A 36 13.508 8.141 0.515 1.00 0.29 H new ATOM 0 HA HIS A 36 15.651 6.337 -0.049 1.00 0.29 H new ATOM 0 HB2 HIS A 36 13.930 6.684 2.415 1.00 0.38 H new ATOM 0 HB3 HIS A 36 15.302 5.598 2.317 1.00 0.38 H new ATOM 0 HD1 HIS A 36 17.703 6.742 1.941 1.00 0.43 H new ATOM 0 HD2 HIS A 36 14.539 9.281 2.977 1.00 0.40 H new ATOM 0 HE1 HIS A 36 18.760 8.906 2.759 1.00 0.47 H new ATOM 472 N TYR A 37 12.576 5.269 0.045 1.00 0.22 N ATOM 473 CA TYR A 37 11.739 4.150 -0.345 1.00 0.21 C ATOM 474 C TYR A 37 12.113 3.704 -1.747 1.00 0.21 C ATOM 475 O TYR A 37 12.155 2.513 -2.045 1.00 0.24 O ATOM 476 CB TYR A 37 10.267 4.533 -0.297 1.00 0.22 C ATOM 477 CG TYR A 37 9.693 4.659 1.101 1.00 0.23 C ATOM 478 CD1 TYR A 37 10.219 3.955 2.182 1.00 0.33 C ATOM 479 CD2 TYR A 37 8.592 5.461 1.325 1.00 0.37 C ATOM 480 CE1 TYR A 37 9.652 4.059 3.439 1.00 0.40 C ATOM 481 CE2 TYR A 37 8.017 5.560 2.573 1.00 0.41 C ATOM 482 CZ TYR A 37 8.547 4.862 3.622 1.00 0.36 C ATOM 483 OH TYR A 37 7.953 4.949 4.855 1.00 0.48 O ATOM 0 H TYR A 37 12.075 6.145 0.192 1.00 0.22 H new ATOM 0 HA TYR A 37 11.901 3.331 0.355 1.00 0.21 H new ATOM 0 HB2 TYR A 37 10.135 5.482 -0.817 1.00 0.22 H new ATOM 0 HB3 TYR A 37 9.693 3.786 -0.846 1.00 0.22 H new ATOM 0 HD1 TYR A 37 11.080 3.320 2.036 1.00 0.33 H new ATOM 0 HD2 TYR A 37 8.172 6.023 0.504 1.00 0.37 H new ATOM 0 HE1 TYR A 37 10.072 3.515 4.272 1.00 0.40 H new ATOM 0 HE2 TYR A 37 7.150 6.187 2.722 1.00 0.41 H new ATOM 0 HH TYR A 37 7.424 5.773 4.906 1.00 0.48 H new ATOM 493 N ASP A 38 12.386 4.682 -2.599 1.00 0.25 N ATOM 494 CA ASP A 38 12.878 4.421 -3.941 1.00 0.31 C ATOM 495 C ASP A 38 14.240 3.765 -3.869 1.00 0.30 C ATOM 496 O ASP A 38 14.509 2.792 -4.565 1.00 0.32 O ATOM 497 CB ASP A 38 12.981 5.720 -4.735 1.00 0.42 C ATOM 498 CG ASP A 38 13.370 5.475 -6.183 1.00 0.78 C ATOM 499 OD1 ASP A 38 12.581 4.845 -6.920 1.00 0.68 O ATOM 500 OD2 ASP A 38 14.476 5.900 -6.584 1.00 1.51 O ATOM 0 H ASP A 38 12.273 5.672 -2.380 1.00 0.25 H new ATOM 0 HA ASP A 38 12.177 3.755 -4.444 1.00 0.31 H new ATOM 0 HB2 ASP A 38 12.025 6.242 -4.700 1.00 0.42 H new ATOM 0 HB3 ASP A 38 13.718 6.373 -4.267 1.00 0.42 H new ATOM 505 N LYS A 39 15.085 4.305 -3.005 1.00 0.30 N ATOM 506 CA LYS A 39 16.414 3.765 -2.786 1.00 0.32 C ATOM 507 C LYS A 39 16.326 2.319 -2.306 1.00 0.29 C ATOM 508 O LYS A 39 16.999 1.444 -2.832 1.00 0.32 O ATOM 509 CB LYS A 39 17.163 4.620 -1.766 1.00 0.35 C ATOM 510 CG LYS A 39 18.632 4.271 -1.655 1.00 0.41 C ATOM 511 CD LYS A 39 19.352 4.486 -2.973 1.00 0.47 C ATOM 512 CE LYS A 39 20.807 4.090 -2.868 1.00 0.54 C ATOM 513 NZ LYS A 39 21.565 4.988 -1.959 1.00 1.25 N ATOM 0 H LYS A 39 14.869 5.126 -2.439 1.00 0.30 H new ATOM 0 HA LYS A 39 16.961 3.783 -3.728 1.00 0.32 H new ATOM 0 HB2 LYS A 39 17.066 5.670 -2.042 1.00 0.35 H new ATOM 0 HB3 LYS A 39 16.694 4.502 -0.789 1.00 0.35 H new ATOM 0 HG2 LYS A 39 19.096 4.883 -0.881 1.00 0.41 H new ATOM 0 HG3 LYS A 39 18.738 3.231 -1.346 1.00 0.41 H new ATOM 0 HD2 LYS A 39 18.868 3.901 -3.755 1.00 0.47 H new ATOM 0 HD3 LYS A 39 19.277 5.533 -3.266 1.00 0.47 H new ATOM 0 HE2 LYS A 39 20.878 3.064 -2.506 1.00 0.54 H new ATOM 0 HE3 LYS A 39 21.261 4.111 -3.859 1.00 0.54 H new ATOM 0 HZ1 LYS A 39 22.582 4.790 -2.045 1.00 1.25 H new ATOM 0 HZ2 LYS A 39 21.382 5.979 -2.217 1.00 1.25 H new ATOM 0 HZ3 LYS A 39 21.262 4.824 -0.978 1.00 1.25 H new ATOM 527 N ALA A 40 15.469 2.074 -1.324 1.00 0.25 N ATOM 528 CA ALA A 40 15.263 0.731 -0.797 1.00 0.24 C ATOM 529 C ALA A 40 14.726 -0.193 -1.882 1.00 0.22 C ATOM 530 O ALA A 40 15.050 -1.375 -1.914 1.00 0.26 O ATOM 531 CB ALA A 40 14.315 0.768 0.397 1.00 0.22 C ATOM 0 H ALA A 40 14.902 2.792 -0.874 1.00 0.25 H new ATOM 0 HA ALA A 40 16.223 0.340 -0.461 1.00 0.24 H new ATOM 0 HB1 ALA A 40 14.171 -0.243 0.779 1.00 0.22 H new ATOM 0 HB2 ALA A 40 14.741 1.395 1.180 1.00 0.22 H new ATOM 0 HB3 ALA A 40 13.354 1.178 0.086 1.00 0.22 H new ATOM 537 N LYS A 41 13.916 0.359 -2.776 1.00 0.23 N ATOM 538 CA LYS A 41 13.376 -0.401 -3.896 1.00 0.26 C ATOM 539 C LYS A 41 14.451 -0.643 -4.956 1.00 0.31 C ATOM 540 O LYS A 41 14.383 -1.603 -5.719 1.00 0.37 O ATOM 541 CB LYS A 41 12.187 0.333 -4.509 1.00 0.29 C ATOM 542 CG LYS A 41 11.544 -0.406 -5.665 1.00 0.41 C ATOM 543 CD LYS A 41 10.352 0.352 -6.207 1.00 0.78 C ATOM 544 CE LYS A 41 9.791 -0.307 -7.450 1.00 0.89 C ATOM 545 NZ LYS A 41 10.768 -0.306 -8.572 1.00 1.37 N ATOM 0 H LYS A 41 13.618 1.334 -2.747 1.00 0.23 H new ATOM 0 HA LYS A 41 13.039 -1.368 -3.522 1.00 0.26 H new ATOM 0 HB2 LYS A 41 11.438 0.502 -3.736 1.00 0.29 H new ATOM 0 HB3 LYS A 41 12.515 1.313 -4.854 1.00 0.29 H new ATOM 0 HG2 LYS A 41 12.277 -0.552 -6.459 1.00 0.41 H new ATOM 0 HG3 LYS A 41 11.229 -1.396 -5.336 1.00 0.41 H new ATOM 0 HD2 LYS A 41 9.577 0.407 -5.443 1.00 0.78 H new ATOM 0 HD3 LYS A 41 10.646 1.376 -6.438 1.00 0.78 H new ATOM 0 HE2 LYS A 41 9.506 -1.333 -7.219 1.00 0.89 H new ATOM 0 HE3 LYS A 41 8.884 0.214 -7.758 1.00 0.89 H new ATOM 0 HZ1 LYS A 41 10.268 -0.476 -9.468 1.00 1.37 H new ATOM 0 HZ2 LYS A 41 11.248 0.615 -8.613 1.00 1.37 H new ATOM 0 HZ3 LYS A 41 11.472 -1.057 -8.420 1.00 1.37 H new ATOM 559 N GLU A 42 15.429 0.244 -5.018 1.00 0.32 N ATOM 560 CA GLU A 42 16.569 0.057 -5.903 1.00 0.38 C ATOM 561 C GLU A 42 17.530 -0.960 -5.304 1.00 0.40 C ATOM 562 O GLU A 42 18.148 -1.747 -6.022 1.00 0.50 O ATOM 563 CB GLU A 42 17.291 1.384 -6.145 1.00 0.43 C ATOM 564 CG GLU A 42 16.480 2.379 -6.956 1.00 1.11 C ATOM 565 CD GLU A 42 16.162 1.867 -8.343 1.00 1.81 C ATOM 566 OE1 GLU A 42 17.088 1.787 -9.174 1.00 2.03 O ATOM 567 OE2 GLU A 42 14.985 1.539 -8.613 1.00 2.78 O ATOM 0 H GLU A 42 15.458 1.102 -4.466 1.00 0.32 H new ATOM 0 HA GLU A 42 16.206 -0.315 -6.861 1.00 0.38 H new ATOM 0 HB2 GLU A 42 17.543 1.831 -5.184 1.00 0.43 H new ATOM 0 HB3 GLU A 42 18.231 1.188 -6.661 1.00 0.43 H new ATOM 0 HG2 GLU A 42 15.551 2.600 -6.431 1.00 1.11 H new ATOM 0 HG3 GLU A 42 17.032 3.316 -7.035 1.00 1.11 H new ATOM 574 N LEU A 43 17.647 -0.932 -3.984 1.00 0.36 N ATOM 575 CA LEU A 43 18.471 -1.891 -3.265 1.00 0.39 C ATOM 576 C LEU A 43 17.830 -3.267 -3.299 1.00 0.39 C ATOM 577 O LEU A 43 18.509 -4.273 -3.505 1.00 0.49 O ATOM 578 CB LEU A 43 18.697 -1.449 -1.822 1.00 0.39 C ATOM 579 CG LEU A 43 19.912 -0.550 -1.615 1.00 0.43 C ATOM 580 CD1 LEU A 43 19.820 0.653 -2.508 1.00 0.42 C ATOM 581 CD2 LEU A 43 20.011 -0.114 -0.177 1.00 0.45 C ATOM 0 H LEU A 43 17.178 -0.251 -3.387 1.00 0.36 H new ATOM 0 HA LEU A 43 19.441 -1.940 -3.760 1.00 0.39 H new ATOM 0 HB2 LEU A 43 17.808 -0.922 -1.474 1.00 0.39 H new ATOM 0 HB3 LEU A 43 18.807 -2.336 -1.197 1.00 0.39 H new ATOM 0 HG LEU A 43 20.808 -1.117 -1.869 1.00 0.43 H new ATOM 0 HD11 LEU A 43 20.692 1.289 -2.353 1.00 0.42 H new ATOM 0 HD12 LEU A 43 19.786 0.332 -3.549 1.00 0.42 H new ATOM 0 HD13 LEU A 43 18.916 1.213 -2.271 1.00 0.42 H new ATOM 0 HD21 LEU A 43 20.884 0.526 -0.050 1.00 0.45 H new ATOM 0 HD22 LEU A 43 19.113 0.439 0.098 1.00 0.45 H new ATOM 0 HD23 LEU A 43 20.108 -0.991 0.463 1.00 0.45 H new ATOM 593 N ASP A 44 16.521 -3.307 -3.101 1.00 0.32 N ATOM 594 CA ASP A 44 15.792 -4.558 -3.163 1.00 0.33 C ATOM 595 C ASP A 44 14.448 -4.383 -3.865 1.00 0.32 C ATOM 596 O ASP A 44 13.429 -4.115 -3.227 1.00 0.33 O ATOM 597 CB ASP A 44 15.564 -5.129 -1.772 1.00 0.40 C ATOM 598 CG ASP A 44 15.085 -6.569 -1.800 1.00 0.46 C ATOM 599 OD1 ASP A 44 14.899 -7.128 -2.904 1.00 0.52 O ATOM 600 OD2 ASP A 44 14.904 -7.160 -0.716 1.00 1.11 O ATOM 0 H ASP A 44 15.946 -2.489 -2.897 1.00 0.32 H new ATOM 0 HA ASP A 44 16.402 -5.255 -3.738 1.00 0.33 H new ATOM 0 HB2 ASP A 44 16.492 -5.070 -1.203 1.00 0.40 H new ATOM 0 HB3 ASP A 44 14.830 -4.517 -1.248 1.00 0.40 H new ATOM 605 N PRO A 45 14.428 -4.536 -5.195 1.00 0.41 N ATOM 606 CA PRO A 45 13.200 -4.438 -5.989 1.00 0.49 C ATOM 607 C PRO A 45 12.301 -5.659 -5.823 1.00 0.47 C ATOM 608 O PRO A 45 11.170 -5.682 -6.310 1.00 0.59 O ATOM 609 CB PRO A 45 13.722 -4.361 -7.423 1.00 0.64 C ATOM 610 CG PRO A 45 15.010 -5.103 -7.377 1.00 0.63 C ATOM 611 CD PRO A 45 15.606 -4.796 -6.036 1.00 0.52 C ATOM 0 HA PRO A 45 12.586 -3.588 -5.690 1.00 0.49 H new ATOM 0 HB2 PRO A 45 13.024 -4.815 -8.127 1.00 0.64 H new ATOM 0 HB3 PRO A 45 13.867 -3.328 -7.740 1.00 0.64 H new ATOM 0 HG2 PRO A 45 14.849 -6.174 -7.498 1.00 0.63 H new ATOM 0 HG3 PRO A 45 15.673 -4.787 -8.182 1.00 0.63 H new ATOM 0 HD2 PRO A 45 16.195 -5.631 -5.657 1.00 0.52 H new ATOM 0 HD3 PRO A 45 16.269 -3.932 -6.078 1.00 0.52 H new ATOM 619 N THR A 46 12.811 -6.676 -5.141 1.00 0.39 N ATOM 620 CA THR A 46 12.061 -7.902 -4.935 1.00 0.40 C ATOM 621 C THR A 46 11.470 -7.951 -3.530 1.00 0.40 C ATOM 622 O THR A 46 10.941 -8.977 -3.099 1.00 0.42 O ATOM 623 CB THR A 46 12.933 -9.144 -5.188 1.00 0.42 C ATOM 624 OG1 THR A 46 14.105 -9.115 -4.366 1.00 0.45 O ATOM 625 CG2 THR A 46 13.343 -9.221 -6.651 1.00 0.46 C ATOM 0 H THR A 46 13.741 -6.674 -4.722 1.00 0.39 H new ATOM 0 HA THR A 46 11.244 -7.908 -5.657 1.00 0.40 H new ATOM 0 HB THR A 46 12.342 -10.024 -4.935 1.00 0.42 H new ATOM 0 HG1 THR A 46 14.074 -8.331 -3.779 1.00 0.45 H new ATOM 0 HG21 THR A 46 13.959 -10.106 -6.810 1.00 0.46 H new ATOM 0 HG22 THR A 46 12.452 -9.282 -7.276 1.00 0.46 H new ATOM 0 HG23 THR A 46 13.912 -8.330 -6.917 1.00 0.46 H new ATOM 633 N ASN A 47 11.568 -6.833 -2.824 1.00 0.52 N ATOM 634 CA ASN A 47 10.973 -6.707 -1.503 1.00 0.56 C ATOM 635 C ASN A 47 9.704 -5.875 -1.594 1.00 0.56 C ATOM 636 O ASN A 47 9.756 -4.649 -1.741 1.00 0.89 O ATOM 637 CB ASN A 47 11.961 -6.069 -0.530 1.00 0.78 C ATOM 638 CG ASN A 47 11.502 -6.148 0.912 1.00 1.51 C ATOM 639 OD1 ASN A 47 11.803 -7.111 1.619 1.00 2.13 O ATOM 640 ND2 ASN A 47 10.791 -5.129 1.369 1.00 1.47 N ATOM 0 H ASN A 47 12.056 -5.998 -3.147 1.00 0.52 H new ATOM 0 HA ASN A 47 10.723 -7.700 -1.129 1.00 0.56 H new ATOM 0 HB2 ASN A 47 12.928 -6.563 -0.626 1.00 0.78 H new ATOM 0 HB3 ASN A 47 12.108 -5.024 -0.803 1.00 0.78 H new ATOM 0 HD21 ASN A 47 10.472 -5.123 2.338 1.00 1.47 H new ATOM 0 HD22 ASN A 47 10.562 -4.350 0.752 1.00 1.47 H new ATOM 647 N MET A 48 8.571 -6.555 -1.491 1.00 0.29 N ATOM 648 CA MET A 48 7.265 -5.946 -1.714 1.00 0.26 C ATOM 649 C MET A 48 7.036 -4.782 -0.759 1.00 0.24 C ATOM 650 O MET A 48 6.404 -3.785 -1.110 1.00 0.24 O ATOM 651 CB MET A 48 6.164 -7.001 -1.543 1.00 0.22 C ATOM 652 CG MET A 48 5.646 -7.182 -0.119 1.00 0.19 C ATOM 653 SD MET A 48 4.347 -6.012 0.327 1.00 1.05 S ATOM 654 CE MET A 48 3.144 -6.384 -0.939 1.00 0.27 C ATOM 0 H MET A 48 8.530 -7.545 -1.250 1.00 0.29 H new ATOM 0 HA MET A 48 7.233 -5.557 -2.732 1.00 0.26 H new ATOM 0 HB2 MET A 48 5.325 -6.733 -2.185 1.00 0.22 H new ATOM 0 HB3 MET A 48 6.544 -7.959 -1.898 1.00 0.22 H new ATOM 0 HG2 MET A 48 5.265 -8.197 -0.006 1.00 0.19 H new ATOM 0 HG3 MET A 48 6.477 -7.074 0.578 1.00 0.19 H new ATOM 0 HE1 MET A 48 2.156 -6.472 -0.487 1.00 0.27 H new ATOM 0 HE2 MET A 48 3.135 -5.584 -1.679 1.00 0.27 H new ATOM 0 HE3 MET A 48 3.406 -7.324 -1.424 1.00 0.27 H new ATOM 664 N THR A 49 7.578 -4.909 0.442 1.00 0.24 N ATOM 665 CA THR A 49 7.336 -3.945 1.494 1.00 0.26 C ATOM 666 C THR A 49 7.870 -2.551 1.132 1.00 0.28 C ATOM 667 O THR A 49 7.285 -1.543 1.519 1.00 0.39 O ATOM 668 CB THR A 49 7.953 -4.421 2.823 1.00 0.29 C ATOM 669 OG1 THR A 49 7.500 -5.750 3.127 1.00 0.71 O ATOM 670 CG2 THR A 49 7.574 -3.493 3.962 1.00 0.64 C ATOM 0 H THR A 49 8.192 -5.678 0.710 1.00 0.24 H new ATOM 0 HA THR A 49 6.255 -3.865 1.612 1.00 0.26 H new ATOM 0 HB THR A 49 9.037 -4.416 2.711 1.00 0.29 H new ATOM 0 HG1 THR A 49 8.030 -6.400 2.620 1.00 0.71 H new ATOM 0 HG21 THR A 49 8.022 -3.852 4.888 1.00 0.64 H new ATOM 0 HG22 THR A 49 7.937 -2.488 3.749 1.00 0.64 H new ATOM 0 HG23 THR A 49 6.489 -3.472 4.068 1.00 0.64 H new ATOM 678 N TYR A 50 8.951 -2.482 0.356 1.00 0.23 N ATOM 679 CA TYR A 50 9.525 -1.182 0.014 1.00 0.23 C ATOM 680 C TYR A 50 8.640 -0.473 -0.980 1.00 0.26 C ATOM 681 O TYR A 50 8.476 0.746 -0.939 1.00 0.42 O ATOM 682 CB TYR A 50 10.936 -1.302 -0.558 1.00 0.21 C ATOM 683 CG TYR A 50 11.893 -1.999 0.369 1.00 0.22 C ATOM 684 CD1 TYR A 50 11.814 -1.809 1.737 1.00 0.28 C ATOM 685 CD2 TYR A 50 12.865 -2.851 -0.121 1.00 0.25 C ATOM 686 CE1 TYR A 50 12.673 -2.454 2.595 1.00 0.35 C ATOM 687 CE2 TYR A 50 13.733 -3.500 0.734 1.00 0.31 C ATOM 688 CZ TYR A 50 13.630 -3.300 2.088 1.00 0.34 C ATOM 689 OH TYR A 50 14.481 -3.960 2.938 1.00 0.44 O ATOM 0 H TYR A 50 9.436 -3.288 -0.039 1.00 0.23 H new ATOM 0 HA TYR A 50 9.589 -0.607 0.938 1.00 0.23 H new ATOM 0 HB2 TYR A 50 10.894 -1.845 -1.502 1.00 0.21 H new ATOM 0 HB3 TYR A 50 11.317 -0.305 -0.781 1.00 0.21 H new ATOM 0 HD1 TYR A 50 11.065 -1.143 2.138 1.00 0.28 H new ATOM 0 HD2 TYR A 50 12.946 -3.011 -1.186 1.00 0.25 H new ATOM 0 HE1 TYR A 50 12.596 -2.297 3.661 1.00 0.35 H new ATOM 0 HE2 TYR A 50 14.490 -4.162 0.339 1.00 0.31 H new ATOM 0 HH TYR A 50 15.095 -4.518 2.417 1.00 0.44 H new ATOM 699 N ILE A 51 8.050 -1.256 -1.854 1.00 0.18 N ATOM 700 CA ILE A 51 7.207 -0.728 -2.896 1.00 0.19 C ATOM 701 C ILE A 51 5.879 -0.240 -2.313 1.00 0.19 C ATOM 702 O ILE A 51 5.324 0.767 -2.752 1.00 0.22 O ATOM 703 CB ILE A 51 6.949 -1.798 -3.973 1.00 0.20 C ATOM 704 CG1 ILE A 51 8.272 -2.266 -4.592 1.00 0.25 C ATOM 705 CG2 ILE A 51 6.009 -1.264 -5.047 1.00 0.21 C ATOM 706 CD1 ILE A 51 8.144 -3.554 -5.374 1.00 0.33 C ATOM 0 H ILE A 51 8.142 -2.272 -1.861 1.00 0.18 H new ATOM 0 HA ILE A 51 7.719 0.117 -3.357 1.00 0.19 H new ATOM 0 HB ILE A 51 6.470 -2.655 -3.499 1.00 0.20 H new ATOM 0 HG12 ILE A 51 8.653 -1.486 -5.251 1.00 0.25 H new ATOM 0 HG13 ILE A 51 9.008 -2.402 -3.800 1.00 0.25 H new ATOM 0 HG21 ILE A 51 5.840 -2.035 -5.798 1.00 0.21 H new ATOM 0 HG22 ILE A 51 5.058 -0.985 -4.593 1.00 0.21 H new ATOM 0 HG23 ILE A 51 6.456 -0.389 -5.519 1.00 0.21 H new ATOM 0 HD11 ILE A 51 9.116 -3.828 -5.785 1.00 0.33 H new ATOM 0 HD12 ILE A 51 7.792 -4.347 -4.714 1.00 0.33 H new ATOM 0 HD13 ILE A 51 7.432 -3.416 -6.188 1.00 0.33 H new ATOM 718 N THR A 52 5.382 -0.949 -1.309 1.00 0.20 N ATOM 719 CA THR A 52 4.149 -0.555 -0.648 1.00 0.24 C ATOM 720 C THR A 52 4.378 0.675 0.221 1.00 0.24 C ATOM 721 O THR A 52 3.488 1.513 0.373 1.00 0.27 O ATOM 722 CB THR A 52 3.570 -1.698 0.206 1.00 0.27 C ATOM 723 OG1 THR A 52 4.544 -2.171 1.141 1.00 0.28 O ATOM 724 CG2 THR A 52 3.122 -2.846 -0.666 1.00 0.26 C ATOM 0 H THR A 52 5.812 -1.796 -0.937 1.00 0.20 H new ATOM 0 HA THR A 52 3.425 -0.316 -1.427 1.00 0.24 H new ATOM 0 HB THR A 52 2.710 -1.303 0.747 1.00 0.27 H new ATOM 0 HG1 THR A 52 5.393 -1.704 0.993 1.00 0.28 H new ATOM 0 HG21 THR A 52 2.717 -3.641 -0.041 1.00 0.26 H new ATOM 0 HG22 THR A 52 2.353 -2.500 -1.357 1.00 0.26 H new ATOM 0 HG23 THR A 52 3.972 -3.227 -1.231 1.00 0.26 H new ATOM 732 N ASN A 53 5.577 0.781 0.788 1.00 0.25 N ATOM 733 CA ASN A 53 5.971 1.980 1.515 1.00 0.27 C ATOM 734 C ASN A 53 6.007 3.168 0.567 1.00 0.24 C ATOM 735 O ASN A 53 5.587 4.268 0.924 1.00 0.27 O ATOM 736 CB ASN A 53 7.333 1.802 2.191 1.00 0.34 C ATOM 737 CG ASN A 53 7.227 1.225 3.592 1.00 0.81 C ATOM 738 OD1 ASN A 53 7.234 0.011 3.781 1.00 1.59 O ATOM 739 ND2 ASN A 53 7.141 2.090 4.588 1.00 1.42 N ATOM 0 H ASN A 53 6.290 0.052 0.757 1.00 0.25 H new ATOM 0 HA ASN A 53 5.233 2.161 2.297 1.00 0.27 H new ATOM 0 HB2 ASN A 53 7.953 1.147 1.580 1.00 0.34 H new ATOM 0 HB3 ASN A 53 7.838 2.767 2.238 1.00 0.34 H new ATOM 0 HD21 ASN A 53 7.078 1.756 5.550 1.00 1.42 H new ATOM 0 HD22 ASN A 53 7.138 3.092 4.395 1.00 1.42 H new ATOM 746 N GLN A 54 6.507 2.935 -0.646 1.00 0.23 N ATOM 747 CA GLN A 54 6.472 3.946 -1.695 1.00 0.25 C ATOM 748 C GLN A 54 5.051 4.415 -1.930 1.00 0.25 C ATOM 749 O GLN A 54 4.757 5.611 -1.907 1.00 0.28 O ATOM 750 CB GLN A 54 7.010 3.403 -3.015 1.00 0.27 C ATOM 751 CG GLN A 54 8.515 3.303 -3.095 1.00 0.40 C ATOM 752 CD GLN A 54 8.977 3.135 -4.525 1.00 0.62 C ATOM 753 OE1 GLN A 54 8.282 2.542 -5.351 1.00 1.27 O ATOM 754 NE2 GLN A 54 10.130 3.688 -4.840 1.00 1.34 N ATOM 0 H GLN A 54 6.940 2.054 -0.924 1.00 0.23 H new ATOM 0 HA GLN A 54 7.099 4.772 -1.359 1.00 0.25 H new ATOM 0 HB2 GLN A 54 6.585 2.414 -3.184 1.00 0.27 H new ATOM 0 HB3 GLN A 54 6.659 4.043 -3.824 1.00 0.27 H new ATOM 0 HG2 GLN A 54 8.965 4.199 -2.668 1.00 0.40 H new ATOM 0 HG3 GLN A 54 8.858 2.458 -2.498 1.00 0.40 H new ATOM 0 HE21 GLN A 54 10.676 4.171 -4.126 1.00 1.34 H new ATOM 0 HE22 GLN A 54 10.477 3.634 -5.798 1.00 1.34 H new ATOM 763 N ALA A 55 4.184 3.446 -2.161 1.00 0.24 N ATOM 764 CA ALA A 55 2.787 3.699 -2.448 1.00 0.25 C ATOM 765 C ALA A 55 2.139 4.536 -1.350 1.00 0.26 C ATOM 766 O ALA A 55 1.371 5.458 -1.629 1.00 0.30 O ATOM 767 CB ALA A 55 2.066 2.373 -2.617 1.00 0.24 C ATOM 0 H ALA A 55 4.432 2.457 -2.154 1.00 0.24 H new ATOM 0 HA ALA A 55 2.713 4.271 -3.373 1.00 0.25 H new ATOM 0 HB1 ALA A 55 1.013 2.556 -2.833 1.00 0.24 H new ATOM 0 HB2 ALA A 55 2.514 1.817 -3.441 1.00 0.24 H new ATOM 0 HB3 ALA A 55 2.152 1.792 -1.698 1.00 0.24 H new ATOM 773 N ALA A 56 2.481 4.219 -0.102 1.00 0.26 N ATOM 774 CA ALA A 56 1.964 4.944 1.054 1.00 0.27 C ATOM 775 C ALA A 56 2.274 6.432 0.960 1.00 0.26 C ATOM 776 O ALA A 56 1.464 7.267 1.364 1.00 0.30 O ATOM 777 CB ALA A 56 2.545 4.381 2.340 1.00 0.29 C ATOM 0 H ALA A 56 3.119 3.459 0.134 1.00 0.26 H new ATOM 0 HA ALA A 56 0.881 4.818 1.063 1.00 0.27 H new ATOM 0 HB1 ALA A 56 2.148 4.934 3.191 1.00 0.29 H new ATOM 0 HB2 ALA A 56 2.274 3.329 2.432 1.00 0.29 H new ATOM 0 HB3 ALA A 56 3.631 4.475 2.321 1.00 0.29 H new ATOM 783 N VAL A 57 3.442 6.763 0.419 1.00 0.26 N ATOM 784 CA VAL A 57 3.829 8.156 0.281 1.00 0.27 C ATOM 785 C VAL A 57 2.972 8.843 -0.753 1.00 0.26 C ATOM 786 O VAL A 57 2.481 9.929 -0.516 1.00 0.30 O ATOM 787 CB VAL A 57 5.303 8.338 -0.106 1.00 0.28 C ATOM 788 CG1 VAL A 57 5.649 9.813 -0.158 1.00 0.33 C ATOM 789 CG2 VAL A 57 6.201 7.618 0.865 1.00 0.30 C ATOM 0 H VAL A 57 4.128 6.092 0.073 1.00 0.26 H new ATOM 0 HA VAL A 57 3.682 8.605 1.263 1.00 0.27 H new ATOM 0 HB VAL A 57 5.459 7.907 -1.095 1.00 0.28 H new ATOM 0 HG11 VAL A 57 6.697 9.931 -0.433 1.00 0.33 H new ATOM 0 HG12 VAL A 57 5.021 10.308 -0.899 1.00 0.33 H new ATOM 0 HG13 VAL A 57 5.478 10.262 0.821 1.00 0.33 H new ATOM 0 HG21 VAL A 57 7.241 7.760 0.572 1.00 0.30 H new ATOM 0 HG22 VAL A 57 6.048 8.018 1.867 1.00 0.30 H new ATOM 0 HG23 VAL A 57 5.964 6.554 0.859 1.00 0.30 H new ATOM 799 N TYR A 58 2.794 8.202 -1.898 1.00 0.25 N ATOM 800 CA TYR A 58 1.942 8.741 -2.952 1.00 0.27 C ATOM 801 C TYR A 58 0.541 8.988 -2.423 1.00 0.28 C ATOM 802 O TYR A 58 -0.101 9.969 -2.780 1.00 0.29 O ATOM 803 CB TYR A 58 1.884 7.774 -4.121 1.00 0.27 C ATOM 804 CG TYR A 58 3.153 7.724 -4.926 1.00 0.28 C ATOM 805 CD1 TYR A 58 3.428 8.684 -5.886 1.00 0.35 C ATOM 806 CD2 TYR A 58 4.082 6.717 -4.723 1.00 0.28 C ATOM 807 CE1 TYR A 58 4.591 8.644 -6.618 1.00 0.38 C ATOM 808 CE2 TYR A 58 5.248 6.668 -5.453 1.00 0.30 C ATOM 809 CZ TYR A 58 5.487 7.623 -6.422 1.00 0.33 C ATOM 810 OH TYR A 58 6.661 7.595 -7.136 1.00 0.37 O ATOM 0 H TYR A 58 3.228 7.307 -2.123 1.00 0.25 H new ATOM 0 HA TYR A 58 2.365 9.687 -3.290 1.00 0.27 H new ATOM 0 HB2 TYR A 58 1.663 6.775 -3.745 1.00 0.27 H new ATOM 0 HB3 TYR A 58 1.060 8.058 -4.775 1.00 0.27 H new ATOM 0 HD1 TYR A 58 2.717 9.477 -6.062 1.00 0.35 H new ATOM 0 HD2 TYR A 58 3.888 5.958 -3.980 1.00 0.28 H new ATOM 0 HE1 TYR A 58 4.799 9.414 -7.346 1.00 0.38 H new ATOM 0 HE2 TYR A 58 5.972 5.888 -5.269 1.00 0.30 H new ATOM 0 HH TYR A 58 6.938 8.511 -7.346 1.00 0.37 H new ATOM 820 N PHE A 59 0.086 8.093 -1.560 1.00 0.30 N ATOM 821 CA PHE A 59 -1.195 8.245 -0.892 1.00 0.32 C ATOM 822 C PHE A 59 -1.228 9.566 -0.123 1.00 0.35 C ATOM 823 O PHE A 59 -2.185 10.335 -0.220 1.00 0.42 O ATOM 824 CB PHE A 59 -1.416 7.066 0.052 1.00 0.33 C ATOM 825 CG PHE A 59 -2.810 6.977 0.601 1.00 0.35 C ATOM 826 CD1 PHE A 59 -3.186 7.756 1.679 1.00 0.49 C ATOM 827 CD2 PHE A 59 -3.740 6.111 0.045 1.00 0.29 C ATOM 828 CE1 PHE A 59 -4.461 7.677 2.196 1.00 0.56 C ATOM 829 CE2 PHE A 59 -5.019 6.028 0.558 1.00 0.35 C ATOM 830 CZ PHE A 59 -5.395 6.814 1.596 1.00 0.47 C ATOM 0 H PHE A 59 0.592 7.245 -1.305 1.00 0.30 H new ATOM 0 HA PHE A 59 -1.995 8.260 -1.632 1.00 0.32 H new ATOM 0 HB2 PHE A 59 -1.185 6.142 -0.477 1.00 0.33 H new ATOM 0 HB3 PHE A 59 -0.714 7.142 0.882 1.00 0.33 H new ATOM 0 HD1 PHE A 59 -2.472 8.435 2.122 1.00 0.49 H new ATOM 0 HD2 PHE A 59 -3.461 5.496 -0.797 1.00 0.29 H new ATOM 0 HE1 PHE A 59 -4.740 8.272 3.053 1.00 0.56 H new ATOM 0 HE2 PHE A 59 -5.725 5.332 0.129 1.00 0.35 H new ATOM 0 HZ PHE A 59 -6.411 6.778 1.962 1.00 0.47 H new ATOM 840 N GLU A 60 -0.159 9.826 0.619 1.00 0.34 N ATOM 841 CA GLU A 60 -0.006 11.067 1.371 1.00 0.37 C ATOM 842 C GLU A 60 0.268 12.243 0.433 1.00 0.35 C ATOM 843 O GLU A 60 -0.074 13.388 0.724 1.00 0.41 O ATOM 844 CB GLU A 60 1.140 10.911 2.366 1.00 0.39 C ATOM 845 CG GLU A 60 0.878 9.852 3.422 1.00 0.44 C ATOM 846 CD GLU A 60 -0.259 10.219 4.349 1.00 0.91 C ATOM 847 OE1 GLU A 60 -1.424 9.920 4.012 1.00 1.07 O ATOM 848 OE2 GLU A 60 -0.002 10.816 5.415 1.00 1.42 O ATOM 0 H GLU A 60 0.627 9.183 0.717 1.00 0.34 H new ATOM 0 HA GLU A 60 -0.933 11.273 1.906 1.00 0.37 H new ATOM 0 HB2 GLU A 60 2.051 10.656 1.824 1.00 0.39 H new ATOM 0 HB3 GLU A 60 1.318 11.868 2.857 1.00 0.39 H new ATOM 0 HG2 GLU A 60 0.650 8.905 2.932 1.00 0.44 H new ATOM 0 HG3 GLU A 60 1.784 9.698 4.008 1.00 0.44 H new ATOM 855 N LYS A 61 0.880 11.930 -0.699 1.00 0.32 N ATOM 856 CA LYS A 61 1.256 12.921 -1.696 1.00 0.33 C ATOM 857 C LYS A 61 0.036 13.410 -2.470 1.00 0.35 C ATOM 858 O LYS A 61 0.046 14.503 -3.035 1.00 0.40 O ATOM 859 CB LYS A 61 2.295 12.327 -2.657 1.00 0.33 C ATOM 860 CG LYS A 61 3.681 12.220 -2.039 1.00 0.48 C ATOM 861 CD LYS A 61 4.796 12.211 -3.079 1.00 0.49 C ATOM 862 CE LYS A 61 4.789 10.963 -3.951 1.00 0.36 C ATOM 863 NZ LYS A 61 6.019 10.889 -4.788 1.00 1.10 N ATOM 0 H LYS A 61 1.131 10.975 -0.953 1.00 0.32 H new ATOM 0 HA LYS A 61 1.693 13.777 -1.182 1.00 0.33 H new ATOM 0 HB2 LYS A 61 1.966 11.337 -2.973 1.00 0.33 H new ATOM 0 HB3 LYS A 61 2.349 12.945 -3.553 1.00 0.33 H new ATOM 0 HG2 LYS A 61 3.834 13.056 -1.357 1.00 0.48 H new ATOM 0 HG3 LYS A 61 3.739 11.308 -1.444 1.00 0.48 H new ATOM 0 HD2 LYS A 61 4.699 13.091 -3.714 1.00 0.49 H new ATOM 0 HD3 LYS A 61 5.758 12.288 -2.572 1.00 0.49 H new ATOM 0 HE2 LYS A 61 4.719 10.076 -3.322 1.00 0.36 H new ATOM 0 HE3 LYS A 61 3.908 10.969 -4.593 1.00 0.36 H new ATOM 0 HZ1 LYS A 61 5.877 10.200 -5.554 1.00 1.10 H new ATOM 0 HZ2 LYS A 61 6.218 11.825 -5.196 1.00 1.10 H new ATOM 0 HZ3 LYS A 61 6.822 10.591 -4.199 1.00 1.10 H new ATOM 877 N GLY A 62 -1.012 12.599 -2.485 1.00 0.34 N ATOM 878 CA GLY A 62 -2.213 12.955 -3.210 1.00 0.36 C ATOM 879 C GLY A 62 -2.356 12.166 -4.494 1.00 0.33 C ATOM 880 O GLY A 62 -3.320 12.344 -5.238 1.00 0.35 O ATOM 0 H GLY A 62 -1.051 11.699 -2.007 1.00 0.34 H new ATOM 0 HA2 GLY A 62 -3.083 12.779 -2.578 1.00 0.36 H new ATOM 0 HA3 GLY A 62 -2.195 14.020 -3.439 1.00 0.36 H new ATOM 884 N ASP A 63 -1.397 11.290 -4.752 1.00 0.31 N ATOM 885 CA ASP A 63 -1.422 10.462 -5.948 1.00 0.30 C ATOM 886 C ASP A 63 -1.995 9.094 -5.611 1.00 0.27 C ATOM 887 O ASP A 63 -1.255 8.126 -5.423 1.00 0.32 O ATOM 888 CB ASP A 63 -0.019 10.298 -6.538 1.00 0.32 C ATOM 889 CG ASP A 63 -0.061 10.049 -8.030 1.00 0.84 C ATOM 890 OD1 ASP A 63 -0.712 9.071 -8.453 1.00 1.26 O ATOM 891 OD2 ASP A 63 0.579 10.809 -8.786 1.00 1.26 O ATOM 0 H ASP A 63 -0.590 11.134 -4.148 1.00 0.31 H new ATOM 0 HA ASP A 63 -2.050 10.955 -6.690 1.00 0.30 H new ATOM 0 HB2 ASP A 63 0.567 11.194 -6.336 1.00 0.32 H new ATOM 0 HB3 ASP A 63 0.488 9.468 -6.045 1.00 0.32 H new ATOM 896 N TYR A 64 -3.315 9.019 -5.522 1.00 0.27 N ATOM 897 CA TYR A 64 -3.981 7.782 -5.141 1.00 0.28 C ATOM 898 C TYR A 64 -3.881 6.755 -6.260 1.00 0.29 C ATOM 899 O TYR A 64 -3.937 5.548 -6.017 1.00 0.34 O ATOM 900 CB TYR A 64 -5.443 8.053 -4.764 1.00 0.29 C ATOM 901 CG TYR A 64 -5.577 9.070 -3.652 1.00 0.32 C ATOM 902 CD1 TYR A 64 -5.287 8.731 -2.338 1.00 0.33 C ATOM 903 CD2 TYR A 64 -6.019 10.362 -3.914 1.00 0.35 C ATOM 904 CE1 TYR A 64 -5.427 9.650 -1.316 1.00 0.36 C ATOM 905 CE2 TYR A 64 -6.166 11.283 -2.897 1.00 0.39 C ATOM 906 CZ TYR A 64 -5.778 10.953 -1.618 1.00 0.38 C ATOM 907 OH TYR A 64 -6.016 11.841 -0.588 1.00 0.43 O ATOM 0 H TYR A 64 -3.945 9.799 -5.708 1.00 0.27 H new ATOM 0 HA TYR A 64 -3.479 7.372 -4.265 1.00 0.28 H new ATOM 0 HB2 TYR A 64 -5.981 8.408 -5.643 1.00 0.29 H new ATOM 0 HB3 TYR A 64 -5.914 7.119 -4.457 1.00 0.29 H new ATOM 0 HD1 TYR A 64 -4.946 7.732 -2.110 1.00 0.33 H new ATOM 0 HD2 TYR A 64 -6.251 10.649 -4.929 1.00 0.35 H new ATOM 0 HE1 TYR A 64 -5.264 9.353 -0.290 1.00 0.36 H new ATOM 0 HE2 TYR A 64 -6.583 12.258 -3.103 1.00 0.39 H new ATOM 0 HH TYR A 64 -6.251 12.717 -0.959 1.00 0.43 H new ATOM 917 N ASN A 65 -3.696 7.239 -7.484 1.00 0.31 N ATOM 918 CA ASN A 65 -3.503 6.359 -8.628 1.00 0.37 C ATOM 919 C ASN A 65 -2.201 5.592 -8.488 1.00 0.33 C ATOM 920 O ASN A 65 -2.161 4.377 -8.670 1.00 0.34 O ATOM 921 CB ASN A 65 -3.492 7.145 -9.937 1.00 0.47 C ATOM 922 CG ASN A 65 -4.841 7.736 -10.292 1.00 1.17 C ATOM 923 OD1 ASN A 65 -5.176 8.841 -9.875 1.00 1.66 O ATOM 924 ND2 ASN A 65 -5.620 7.014 -11.075 1.00 2.18 N ATOM 0 H ASN A 65 -3.676 8.234 -7.708 1.00 0.31 H new ATOM 0 HA ASN A 65 -4.338 5.659 -8.651 1.00 0.37 H new ATOM 0 HB2 ASN A 65 -2.759 7.948 -9.864 1.00 0.47 H new ATOM 0 HB3 ASN A 65 -3.167 6.489 -10.744 1.00 0.47 H new ATOM 0 HD21 ASN A 65 -6.534 7.370 -11.353 1.00 2.18 H new ATOM 0 HD22 ASN A 65 -5.308 6.100 -11.402 1.00 2.18 H new ATOM 931 N LYS A 66 -1.136 6.301 -8.147 1.00 0.34 N ATOM 932 CA LYS A 66 0.166 5.676 -7.998 1.00 0.32 C ATOM 933 C LYS A 66 0.193 4.746 -6.794 1.00 0.31 C ATOM 934 O LYS A 66 0.877 3.722 -6.803 1.00 0.32 O ATOM 935 CB LYS A 66 1.254 6.718 -7.828 1.00 0.29 C ATOM 936 CG LYS A 66 2.648 6.137 -7.944 1.00 0.40 C ATOM 937 CD LYS A 66 2.949 5.613 -9.333 1.00 0.63 C ATOM 938 CE LYS A 66 4.367 5.078 -9.401 1.00 0.42 C ATOM 939 NZ LYS A 66 4.706 4.554 -10.749 1.00 0.68 N ATOM 0 H LYS A 66 -1.149 7.305 -7.969 1.00 0.34 H new ATOM 0 HA LYS A 66 0.349 5.102 -8.906 1.00 0.32 H new ATOM 0 HB2 LYS A 66 1.126 7.496 -8.581 1.00 0.29 H new ATOM 0 HB3 LYS A 66 1.144 7.195 -6.854 1.00 0.29 H new ATOM 0 HG2 LYS A 66 3.379 6.902 -7.682 1.00 0.40 H new ATOM 0 HG3 LYS A 66 2.761 5.328 -7.222 1.00 0.40 H new ATOM 0 HD2 LYS A 66 2.243 4.824 -9.592 1.00 0.63 H new ATOM 0 HD3 LYS A 66 2.819 6.410 -10.065 1.00 0.63 H new ATOM 0 HE2 LYS A 66 5.066 5.871 -9.135 1.00 0.42 H new ATOM 0 HE3 LYS A 66 4.490 4.285 -8.663 1.00 0.42 H new ATOM 0 HZ1 LYS A 66 5.684 4.199 -10.748 1.00 0.68 H new ATOM 0 HZ2 LYS A 66 4.057 3.779 -10.994 1.00 0.68 H new ATOM 0 HZ3 LYS A 66 4.615 5.316 -11.451 1.00 0.68 H new ATOM 953 N CYS A 67 -0.539 5.108 -5.751 1.00 0.31 N ATOM 954 CA CYS A 67 -0.578 4.297 -4.546 1.00 0.32 C ATOM 955 C CYS A 67 -1.161 2.917 -4.844 1.00 0.36 C ATOM 956 O CYS A 67 -0.596 1.896 -4.444 1.00 0.39 O ATOM 957 CB CYS A 67 -1.375 4.999 -3.449 1.00 0.33 C ATOM 958 SG CYS A 67 -1.521 4.045 -1.919 1.00 1.29 S ATOM 0 H CYS A 67 -1.110 5.952 -5.715 1.00 0.31 H new ATOM 0 HA CYS A 67 0.443 4.164 -4.190 1.00 0.32 H new ATOM 0 HB2 CYS A 67 -0.901 5.955 -3.225 1.00 0.33 H new ATOM 0 HB3 CYS A 67 -2.374 5.219 -3.825 1.00 0.33 H new ATOM 0 HG CYS A 67 -2.768 3.741 -1.714 1.00 1.29 H new ATOM 964 N ARG A 68 -2.277 2.879 -5.568 1.00 0.38 N ATOM 965 CA ARG A 68 -2.866 1.609 -5.963 1.00 0.45 C ATOM 966 C ARG A 68 -2.004 0.939 -7.034 1.00 0.42 C ATOM 967 O ARG A 68 -2.013 -0.283 -7.182 1.00 0.48 O ATOM 968 CB ARG A 68 -4.321 1.801 -6.434 1.00 0.60 C ATOM 969 CG ARG A 68 -4.503 2.676 -7.669 1.00 1.00 C ATOM 970 CD ARG A 68 -4.303 1.887 -8.954 1.00 1.21 C ATOM 971 NE ARG A 68 -4.397 2.731 -10.144 1.00 1.92 N ATOM 972 CZ ARG A 68 -3.603 2.605 -11.209 1.00 2.48 C ATOM 973 NH1 ARG A 68 -2.698 1.635 -11.258 1.00 2.64 N ATOM 974 NH2 ARG A 68 -3.733 3.429 -12.240 1.00 3.39 N ATOM 0 H ARG A 68 -2.784 3.704 -5.888 1.00 0.38 H new ATOM 0 HA ARG A 68 -2.895 0.949 -5.096 1.00 0.45 H new ATOM 0 HB2 ARG A 68 -4.750 0.820 -6.639 1.00 0.60 H new ATOM 0 HB3 ARG A 68 -4.895 2.235 -5.615 1.00 0.60 H new ATOM 0 HG2 ARG A 68 -5.502 3.112 -7.662 1.00 1.00 H new ATOM 0 HG3 ARG A 68 -3.794 3.503 -7.636 1.00 1.00 H new ATOM 0 HD2 ARG A 68 -3.327 1.402 -8.932 1.00 1.21 H new ATOM 0 HD3 ARG A 68 -5.051 1.096 -9.012 1.00 1.21 H new ATOM 0 HE ARG A 68 -5.111 3.459 -10.161 1.00 1.92 H new ATOM 0 HH11 ARG A 68 -2.607 0.982 -10.480 1.00 2.64 H new ATOM 0 HH12 ARG A 68 -2.093 1.543 -12.074 1.00 2.64 H new ATOM 0 HH21 ARG A 68 -4.442 4.162 -12.221 1.00 3.39 H new ATOM 0 HH22 ARG A 68 -3.124 3.330 -13.052 1.00 3.39 H new ATOM 988 N GLU A 69 -1.255 1.760 -7.766 1.00 0.38 N ATOM 989 CA GLU A 69 -0.340 1.280 -8.794 1.00 0.37 C ATOM 990 C GLU A 69 0.751 0.413 -8.178 1.00 0.31 C ATOM 991 O GLU A 69 0.906 -0.762 -8.521 1.00 0.34 O ATOM 992 CB GLU A 69 0.299 2.469 -9.530 1.00 0.38 C ATOM 993 CG GLU A 69 1.188 2.062 -10.693 1.00 0.67 C ATOM 994 CD GLU A 69 0.433 1.272 -11.742 1.00 1.20 C ATOM 995 OE1 GLU A 69 -0.233 1.893 -12.591 1.00 1.19 O ATOM 996 OE2 GLU A 69 0.521 0.028 -11.732 1.00 2.08 O ATOM 0 H GLU A 69 -1.266 2.775 -7.662 1.00 0.38 H new ATOM 0 HA GLU A 69 -0.908 0.679 -9.505 1.00 0.37 H new ATOM 0 HB2 GLU A 69 -0.491 3.123 -9.900 1.00 0.38 H new ATOM 0 HB3 GLU A 69 0.888 3.050 -8.820 1.00 0.38 H new ATOM 0 HG2 GLU A 69 1.616 2.954 -11.151 1.00 0.67 H new ATOM 0 HG3 GLU A 69 2.020 1.465 -10.320 1.00 0.67 H new ATOM 1003 N LEU A 70 1.482 1.000 -7.245 1.00 0.24 N ATOM 1004 CA LEU A 70 2.639 0.353 -6.652 1.00 0.21 C ATOM 1005 C LEU A 70 2.251 -0.807 -5.751 1.00 0.22 C ATOM 1006 O LEU A 70 2.931 -1.825 -5.738 1.00 0.23 O ATOM 1007 CB LEU A 70 3.453 1.363 -5.859 1.00 0.20 C ATOM 1008 CG LEU A 70 4.160 2.426 -6.691 1.00 0.21 C ATOM 1009 CD1 LEU A 70 4.848 3.413 -5.775 1.00 0.22 C ATOM 1010 CD2 LEU A 70 5.166 1.786 -7.636 1.00 0.24 C ATOM 0 H LEU A 70 1.291 1.933 -6.879 1.00 0.24 H new ATOM 0 HA LEU A 70 3.237 -0.048 -7.470 1.00 0.21 H new ATOM 0 HB2 LEU A 70 2.792 1.861 -5.149 1.00 0.20 H new ATOM 0 HB3 LEU A 70 4.200 0.825 -5.276 1.00 0.20 H new ATOM 0 HG LEU A 70 3.420 2.954 -7.293 1.00 0.21 H new ATOM 0 HD11 LEU A 70 5.353 4.172 -6.372 1.00 0.22 H new ATOM 0 HD12 LEU A 70 4.108 3.890 -5.132 1.00 0.22 H new ATOM 0 HD13 LEU A 70 5.580 2.889 -5.160 1.00 0.22 H new ATOM 0 HD21 LEU A 70 5.660 2.562 -8.221 1.00 0.24 H new ATOM 0 HD22 LEU A 70 5.910 1.238 -7.058 1.00 0.24 H new ATOM 0 HD23 LEU A 70 4.649 1.099 -8.307 1.00 0.24 H new ATOM 1022 N CYS A 71 1.170 -0.662 -4.999 1.00 0.24 N ATOM 1023 CA CYS A 71 0.763 -1.709 -4.070 1.00 0.25 C ATOM 1024 C CYS A 71 0.469 -3.020 -4.795 1.00 0.24 C ATOM 1025 O CYS A 71 0.932 -4.070 -4.369 1.00 0.23 O ATOM 1026 CB CYS A 71 -0.440 -1.273 -3.247 1.00 0.32 C ATOM 1027 SG CYS A 71 -0.101 0.049 -2.067 1.00 1.10 S ATOM 0 H CYS A 71 0.565 0.159 -5.012 1.00 0.24 H new ATOM 0 HA CYS A 71 1.599 -1.882 -3.392 1.00 0.25 H new ATOM 0 HB2 CYS A 71 -1.228 -0.944 -3.925 1.00 0.32 H new ATOM 0 HB3 CYS A 71 -0.825 -2.137 -2.705 1.00 0.32 H new ATOM 0 HG CYS A 71 -0.399 1.196 -2.602 1.00 1.10 H new ATOM 1033 N GLU A 72 -0.275 -2.958 -5.898 1.00 0.25 N ATOM 1034 CA GLU A 72 -0.582 -4.157 -6.680 1.00 0.26 C ATOM 1035 C GLU A 72 0.699 -4.787 -7.223 1.00 0.23 C ATOM 1036 O GLU A 72 0.819 -6.012 -7.287 1.00 0.25 O ATOM 1037 CB GLU A 72 -1.528 -3.814 -7.828 1.00 0.34 C ATOM 1038 CG GLU A 72 -2.883 -4.506 -7.753 1.00 0.87 C ATOM 1039 CD GLU A 72 -2.804 -6.004 -7.986 1.00 1.36 C ATOM 1040 OE1 GLU A 72 -2.632 -6.427 -9.147 1.00 1.68 O ATOM 1041 OE2 GLU A 72 -2.902 -6.769 -7.003 1.00 2.09 O ATOM 0 H GLU A 72 -0.675 -2.096 -6.270 1.00 0.25 H new ATOM 0 HA GLU A 72 -1.072 -4.878 -6.025 1.00 0.26 H new ATOM 0 HB2 GLU A 72 -1.685 -2.735 -7.844 1.00 0.34 H new ATOM 0 HB3 GLU A 72 -1.049 -4.081 -8.770 1.00 0.34 H new ATOM 0 HG2 GLU A 72 -3.325 -4.320 -6.774 1.00 0.87 H new ATOM 0 HG3 GLU A 72 -3.550 -4.065 -8.493 1.00 0.87 H new ATOM 1048 N LYS A 73 1.660 -3.945 -7.601 1.00 0.23 N ATOM 1049 CA LYS A 73 2.960 -4.426 -8.053 1.00 0.23 C ATOM 1050 C LYS A 73 3.701 -5.080 -6.901 1.00 0.20 C ATOM 1051 O LYS A 73 4.182 -6.197 -7.030 1.00 0.21 O ATOM 1052 CB LYS A 73 3.801 -3.291 -8.665 1.00 0.27 C ATOM 1053 CG LYS A 73 5.293 -3.609 -8.788 1.00 0.33 C ATOM 1054 CD LYS A 73 5.550 -4.990 -9.385 1.00 0.57 C ATOM 1055 CE LYS A 73 5.441 -5.012 -10.890 1.00 0.60 C ATOM 1056 NZ LYS A 73 5.396 -6.403 -11.418 1.00 1.23 N ATOM 0 H LYS A 73 1.561 -2.930 -7.602 1.00 0.23 H new ATOM 0 HA LYS A 73 2.794 -5.167 -8.835 1.00 0.23 H new ATOM 0 HB2 LYS A 73 3.409 -3.057 -9.655 1.00 0.27 H new ATOM 0 HB3 LYS A 73 3.681 -2.396 -8.054 1.00 0.27 H new ATOM 0 HG2 LYS A 73 5.772 -2.853 -9.410 1.00 0.33 H new ATOM 0 HG3 LYS A 73 5.756 -3.551 -7.803 1.00 0.33 H new ATOM 0 HD2 LYS A 73 6.545 -5.326 -9.093 1.00 0.57 H new ATOM 0 HD3 LYS A 73 4.838 -5.700 -8.964 1.00 0.57 H new ATOM 0 HE2 LYS A 73 4.543 -4.477 -11.198 1.00 0.60 H new ATOM 0 HE3 LYS A 73 6.291 -4.485 -11.324 1.00 0.60 H new ATOM 0 HZ1 LYS A 73 5.321 -6.378 -12.455 1.00 1.23 H new ATOM 0 HZ2 LYS A 73 6.264 -6.906 -11.145 1.00 1.23 H new ATOM 0 HZ3 LYS A 73 4.571 -6.898 -11.023 1.00 1.23 H new ATOM 1070 N ALA A 74 3.786 -4.388 -5.779 1.00 0.19 N ATOM 1071 CA ALA A 74 4.438 -4.935 -4.604 1.00 0.17 C ATOM 1072 C ALA A 74 3.803 -6.255 -4.223 1.00 0.16 C ATOM 1073 O ALA A 74 4.491 -7.214 -3.918 1.00 0.16 O ATOM 1074 CB ALA A 74 4.360 -3.961 -3.448 1.00 0.18 C ATOM 0 H ALA A 74 3.412 -3.447 -5.657 1.00 0.19 H new ATOM 0 HA ALA A 74 5.489 -5.104 -4.839 1.00 0.17 H new ATOM 0 HB1 ALA A 74 4.855 -4.390 -2.577 1.00 0.18 H new ATOM 0 HB2 ALA A 74 4.854 -3.029 -3.723 1.00 0.18 H new ATOM 0 HB3 ALA A 74 3.315 -3.761 -3.210 1.00 0.18 H new ATOM 1080 N ILE A 75 2.485 -6.295 -4.259 1.00 0.16 N ATOM 1081 CA ILE A 75 1.749 -7.511 -3.977 1.00 0.16 C ATOM 1082 C ILE A 75 2.106 -8.596 -4.979 1.00 0.17 C ATOM 1083 O ILE A 75 2.300 -9.747 -4.608 1.00 0.18 O ATOM 1084 CB ILE A 75 0.233 -7.254 -3.993 1.00 0.19 C ATOM 1085 CG1 ILE A 75 -0.149 -6.372 -2.809 1.00 0.20 C ATOM 1086 CG2 ILE A 75 -0.546 -8.555 -3.963 1.00 0.23 C ATOM 1087 CD1 ILE A 75 -1.633 -6.159 -2.676 1.00 0.23 C ATOM 0 H ILE A 75 1.898 -5.491 -4.483 1.00 0.16 H new ATOM 0 HA ILE A 75 2.030 -7.848 -2.979 1.00 0.16 H new ATOM 0 HB ILE A 75 -0.022 -6.741 -4.920 1.00 0.19 H new ATOM 0 HG12 ILE A 75 0.229 -6.824 -1.892 1.00 0.20 H new ATOM 0 HG13 ILE A 75 0.341 -5.404 -2.913 1.00 0.20 H new ATOM 0 HG21 ILE A 75 -1.614 -8.340 -3.975 1.00 0.23 H new ATOM 0 HG22 ILE A 75 -0.287 -9.155 -4.836 1.00 0.23 H new ATOM 0 HG23 ILE A 75 -0.297 -9.107 -3.057 1.00 0.23 H new ATOM 0 HD11 ILE A 75 -1.833 -5.523 -1.814 1.00 0.23 H new ATOM 0 HD12 ILE A 75 -2.014 -5.679 -3.577 1.00 0.23 H new ATOM 0 HD13 ILE A 75 -2.128 -7.121 -2.540 1.00 0.23 H new ATOM 1099 N GLU A 76 2.216 -8.215 -6.243 1.00 0.18 N ATOM 1100 CA GLU A 76 2.617 -9.143 -7.290 1.00 0.21 C ATOM 1101 C GLU A 76 4.015 -9.683 -6.992 1.00 0.20 C ATOM 1102 O GLU A 76 4.250 -10.887 -7.033 1.00 0.24 O ATOM 1103 CB GLU A 76 2.607 -8.432 -8.645 1.00 0.24 C ATOM 1104 CG GLU A 76 2.704 -9.372 -9.832 1.00 0.77 C ATOM 1105 CD GLU A 76 1.446 -10.191 -10.013 1.00 1.47 C ATOM 1106 OE1 GLU A 76 0.474 -9.660 -10.585 1.00 1.62 O ATOM 1107 OE2 GLU A 76 1.422 -11.364 -9.579 1.00 2.35 O ATOM 0 H GLU A 76 2.032 -7.266 -6.569 1.00 0.18 H new ATOM 0 HA GLU A 76 1.914 -9.975 -7.322 1.00 0.21 H new ATOM 0 HB2 GLU A 76 1.691 -7.847 -8.731 1.00 0.24 H new ATOM 0 HB3 GLU A 76 3.439 -7.729 -8.682 1.00 0.24 H new ATOM 0 HG2 GLU A 76 2.893 -8.794 -10.737 1.00 0.77 H new ATOM 0 HG3 GLU A 76 3.555 -10.040 -9.696 1.00 0.77 H new ATOM 1114 N VAL A 77 4.917 -8.763 -6.667 1.00 0.21 N ATOM 1115 CA VAL A 77 6.300 -9.075 -6.327 1.00 0.22 C ATOM 1116 C VAL A 77 6.381 -9.965 -5.086 1.00 0.21 C ATOM 1117 O VAL A 77 7.102 -10.962 -5.062 1.00 0.24 O ATOM 1118 CB VAL A 77 7.089 -7.763 -6.077 1.00 0.22 C ATOM 1119 CG1 VAL A 77 8.434 -8.032 -5.424 1.00 0.22 C ATOM 1120 CG2 VAL A 77 7.278 -6.987 -7.374 1.00 0.25 C ATOM 0 H VAL A 77 4.705 -7.766 -6.632 1.00 0.21 H new ATOM 0 HA VAL A 77 6.739 -9.617 -7.165 1.00 0.22 H new ATOM 0 HB VAL A 77 6.498 -7.157 -5.390 1.00 0.22 H new ATOM 0 HG11 VAL A 77 8.957 -7.089 -5.265 1.00 0.22 H new ATOM 0 HG12 VAL A 77 8.280 -8.528 -4.465 1.00 0.22 H new ATOM 0 HG13 VAL A 77 9.031 -8.673 -6.072 1.00 0.22 H new ATOM 0 HG21 VAL A 77 7.834 -6.071 -7.172 1.00 0.25 H new ATOM 0 HG22 VAL A 77 7.832 -7.598 -8.086 1.00 0.25 H new ATOM 0 HG23 VAL A 77 6.304 -6.735 -7.793 1.00 0.25 H new ATOM 1130 N GLY A 78 5.628 -9.601 -4.062 1.00 0.19 N ATOM 1131 CA GLY A 78 5.649 -10.343 -2.823 1.00 0.21 C ATOM 1132 C GLY A 78 4.972 -11.687 -2.946 1.00 0.21 C ATOM 1133 O GLY A 78 5.439 -12.667 -2.396 1.00 0.27 O ATOM 0 H GLY A 78 4.998 -8.799 -4.068 1.00 0.19 H new ATOM 0 HA2 GLY A 78 6.682 -10.487 -2.506 1.00 0.21 H new ATOM 0 HA3 GLY A 78 5.155 -9.760 -2.045 1.00 0.21 H new ATOM 1137 N ARG A 79 3.879 -11.739 -3.681 1.00 0.21 N ATOM 1138 CA ARG A 79 3.161 -12.989 -3.891 1.00 0.28 C ATOM 1139 C ARG A 79 3.963 -13.878 -4.841 1.00 0.28 C ATOM 1140 O ARG A 79 3.776 -15.093 -4.901 1.00 0.33 O ATOM 1141 CB ARG A 79 1.771 -12.683 -4.442 1.00 0.39 C ATOM 1142 CG ARG A 79 0.769 -13.810 -4.289 1.00 0.81 C ATOM 1143 CD ARG A 79 -0.650 -13.283 -4.436 1.00 0.89 C ATOM 1144 NE ARG A 79 -1.649 -14.347 -4.400 1.00 1.57 N ATOM 1145 CZ ARG A 79 -2.955 -14.136 -4.241 1.00 2.03 C ATOM 1146 NH1 ARG A 79 -3.418 -12.903 -4.057 1.00 2.20 N ATOM 1147 NH2 ARG A 79 -3.796 -15.162 -4.254 1.00 2.63 N ATOM 0 H ARG A 79 3.465 -10.931 -4.145 1.00 0.21 H new ATOM 0 HA ARG A 79 3.041 -13.525 -2.949 1.00 0.28 H new ATOM 0 HB2 ARG A 79 1.382 -11.798 -3.939 1.00 0.39 H new ATOM 0 HB3 ARG A 79 1.860 -12.435 -5.500 1.00 0.39 H new ATOM 0 HG2 ARG A 79 0.958 -14.577 -5.040 1.00 0.81 H new ATOM 0 HG3 ARG A 79 0.889 -14.282 -3.314 1.00 0.81 H new ATOM 0 HD2 ARG A 79 -0.854 -12.571 -3.637 1.00 0.89 H new ATOM 0 HD3 ARG A 79 -0.737 -12.740 -5.377 1.00 0.89 H new ATOM 0 HE ARG A 79 -1.328 -15.310 -4.503 1.00 1.57 H new ATOM 0 HH11 ARG A 79 -2.772 -12.114 -4.037 1.00 2.20 H new ATOM 0 HH12 ARG A 79 -4.419 -12.747 -3.936 1.00 2.20 H new ATOM 0 HH21 ARG A 79 -3.442 -16.110 -4.385 1.00 2.63 H new ATOM 0 HH22 ARG A 79 -4.796 -15.003 -4.132 1.00 2.63 H new ATOM 1161 N GLU A 80 4.859 -13.236 -5.579 1.00 0.27 N ATOM 1162 CA GLU A 80 5.817 -13.913 -6.444 1.00 0.32 C ATOM 1163 C GLU A 80 6.902 -14.592 -5.620 1.00 0.31 C ATOM 1164 O GLU A 80 7.172 -15.784 -5.767 1.00 0.37 O ATOM 1165 CB GLU A 80 6.454 -12.877 -7.380 1.00 0.36 C ATOM 1166 CG GLU A 80 7.845 -13.236 -7.877 1.00 0.57 C ATOM 1167 CD GLU A 80 8.361 -12.252 -8.909 1.00 1.18 C ATOM 1168 OE1 GLU A 80 7.852 -12.250 -10.050 1.00 1.22 O ATOM 1169 OE2 GLU A 80 9.285 -11.476 -8.585 1.00 1.96 O ATOM 0 H GLU A 80 4.942 -12.220 -5.594 1.00 0.27 H new ATOM 0 HA GLU A 80 5.298 -14.677 -7.023 1.00 0.32 H new ATOM 0 HB2 GLU A 80 5.801 -12.736 -8.241 1.00 0.36 H new ATOM 0 HB3 GLU A 80 6.505 -11.921 -6.859 1.00 0.36 H new ATOM 0 HG2 GLU A 80 8.533 -13.267 -7.032 1.00 0.57 H new ATOM 0 HG3 GLU A 80 7.827 -14.236 -8.310 1.00 0.57 H new ATOM 1176 N ASN A 81 7.516 -13.811 -4.755 1.00 0.29 N ATOM 1177 CA ASN A 81 8.668 -14.257 -3.987 1.00 0.35 C ATOM 1178 C ASN A 81 8.255 -14.782 -2.606 1.00 0.35 C ATOM 1179 O ASN A 81 9.091 -15.130 -1.772 1.00 0.49 O ATOM 1180 CB ASN A 81 9.658 -13.095 -3.895 1.00 0.40 C ATOM 1181 CG ASN A 81 10.931 -13.428 -3.140 1.00 0.55 C ATOM 1182 OD1 ASN A 81 11.057 -13.152 -1.948 1.00 1.35 O ATOM 1183 ND2 ASN A 81 11.885 -14.027 -3.834 1.00 1.13 N ATOM 0 H ASN A 81 7.234 -12.850 -4.562 1.00 0.29 H new ATOM 0 HA ASN A 81 9.148 -15.097 -4.489 1.00 0.35 H new ATOM 0 HB2 ASN A 81 9.919 -12.773 -4.903 1.00 0.40 H new ATOM 0 HB3 ASN A 81 9.169 -12.252 -3.408 1.00 0.40 H new ATOM 0 HD21 ASN A 81 12.764 -14.277 -3.382 1.00 1.13 H new ATOM 0 HD22 ASN A 81 11.741 -14.239 -4.821 1.00 1.13 H new ATOM 1190 N ARG A 82 6.942 -14.858 -2.399 1.00 0.32 N ATOM 1191 CA ARG A 82 6.349 -15.404 -1.175 1.00 0.37 C ATOM 1192 C ARG A 82 6.712 -14.565 0.050 1.00 0.32 C ATOM 1193 O ARG A 82 7.199 -15.079 1.057 1.00 0.38 O ATOM 1194 CB ARG A 82 6.756 -16.868 -0.980 1.00 0.47 C ATOM 1195 CG ARG A 82 6.366 -17.762 -2.148 1.00 1.04 C ATOM 1196 CD ARG A 82 4.869 -17.719 -2.418 1.00 1.99 C ATOM 1197 NE ARG A 82 4.502 -18.529 -3.580 1.00 2.83 N ATOM 1198 CZ ARG A 82 3.249 -18.820 -3.925 1.00 3.77 C ATOM 1199 NH1 ARG A 82 2.229 -18.358 -3.208 1.00 4.01 N ATOM 1200 NH2 ARG A 82 3.011 -19.576 -4.992 1.00 4.67 N ATOM 0 H ARG A 82 6.252 -14.540 -3.080 1.00 0.32 H new ATOM 0 HA ARG A 82 5.266 -15.363 -1.287 1.00 0.37 H new ATOM 0 HB2 ARG A 82 7.835 -16.922 -0.835 1.00 0.47 H new ATOM 0 HB3 ARG A 82 6.293 -17.249 -0.070 1.00 0.47 H new ATOM 0 HG2 ARG A 82 6.906 -17.448 -3.042 1.00 1.04 H new ATOM 0 HG3 ARG A 82 6.668 -18.788 -1.937 1.00 1.04 H new ATOM 0 HD2 ARG A 82 4.331 -18.078 -1.541 1.00 1.99 H new ATOM 0 HD3 ARG A 82 4.559 -16.687 -2.582 1.00 1.99 H new ATOM 0 HE ARG A 82 5.255 -18.894 -4.164 1.00 2.83 H new ATOM 0 HH11 ARG A 82 2.404 -17.777 -2.388 1.00 4.01 H new ATOM 0 HH12 ARG A 82 1.272 -18.585 -3.478 1.00 4.01 H new ATOM 0 HH21 ARG A 82 3.788 -19.934 -5.547 1.00 4.67 H new ATOM 0 HH22 ARG A 82 2.051 -19.798 -5.256 1.00 4.67 H new ATOM 1214 N GLU A 83 6.456 -13.271 -0.050 1.00 0.27 N ATOM 1215 CA GLU A 83 6.686 -12.343 1.046 1.00 0.27 C ATOM 1216 C GLU A 83 5.447 -12.291 1.938 1.00 0.25 C ATOM 1217 O GLU A 83 4.398 -12.827 1.572 1.00 0.25 O ATOM 1218 CB GLU A 83 7.028 -10.949 0.501 1.00 0.28 C ATOM 1219 CG GLU A 83 7.703 -10.036 1.520 1.00 0.43 C ATOM 1220 CD GLU A 83 8.292 -8.786 0.893 1.00 0.94 C ATOM 1221 OE1 GLU A 83 8.860 -8.875 -0.221 1.00 1.15 O ATOM 1222 OE2 GLU A 83 8.182 -7.706 1.503 1.00 1.60 O ATOM 0 H GLU A 83 6.083 -12.834 -0.893 1.00 0.27 H new ATOM 0 HA GLU A 83 7.532 -12.687 1.641 1.00 0.27 H new ATOM 0 HB2 GLU A 83 7.682 -11.058 -0.364 1.00 0.28 H new ATOM 0 HB3 GLU A 83 6.113 -10.472 0.150 1.00 0.28 H new ATOM 0 HG2 GLU A 83 6.976 -9.748 2.280 1.00 0.43 H new ATOM 0 HG3 GLU A 83 8.493 -10.589 2.028 1.00 0.43 H new ATOM 1229 N ASP A 84 5.586 -11.676 3.111 1.00 0.26 N ATOM 1230 CA ASP A 84 4.512 -11.604 4.105 1.00 0.26 C ATOM 1231 C ASP A 84 3.177 -11.183 3.484 1.00 0.25 C ATOM 1232 O ASP A 84 3.022 -10.054 3.017 1.00 0.26 O ATOM 1233 CB ASP A 84 4.899 -10.625 5.215 1.00 0.29 C ATOM 1234 CG ASP A 84 3.978 -10.724 6.413 1.00 0.44 C ATOM 1235 OD1 ASP A 84 4.139 -11.659 7.214 1.00 0.82 O ATOM 1236 OD2 ASP A 84 3.092 -9.853 6.564 1.00 0.68 O ATOM 0 H ASP A 84 6.447 -11.212 3.401 1.00 0.26 H new ATOM 0 HA ASP A 84 4.380 -12.604 4.519 1.00 0.26 H new ATOM 0 HB2 ASP A 84 5.924 -10.822 5.530 1.00 0.29 H new ATOM 0 HB3 ASP A 84 4.876 -9.608 4.824 1.00 0.29 H new ATOM 1241 N TYR A 85 2.209 -12.101 3.483 1.00 0.26 N ATOM 1242 CA TYR A 85 0.899 -11.830 2.894 1.00 0.26 C ATOM 1243 C TYR A 85 0.082 -10.910 3.790 1.00 0.27 C ATOM 1244 O TYR A 85 -0.849 -10.247 3.337 1.00 0.26 O ATOM 1245 CB TYR A 85 0.124 -13.125 2.631 1.00 0.27 C ATOM 1246 CG TYR A 85 -0.189 -13.922 3.878 1.00 0.29 C ATOM 1247 CD1 TYR A 85 -1.177 -13.504 4.754 1.00 0.34 C ATOM 1248 CD2 TYR A 85 0.501 -15.091 4.177 1.00 0.33 C ATOM 1249 CE1 TYR A 85 -1.473 -14.224 5.893 1.00 0.37 C ATOM 1250 CE2 TYR A 85 0.211 -15.818 5.310 1.00 0.37 C ATOM 1251 CZ TYR A 85 -0.752 -15.390 6.168 1.00 0.38 C ATOM 1252 OH TYR A 85 -1.068 -16.104 7.302 1.00 0.44 O ATOM 0 H TYR A 85 2.308 -13.035 3.882 1.00 0.26 H new ATOM 0 HA TYR A 85 1.070 -11.333 1.939 1.00 0.26 H new ATOM 0 HB2 TYR A 85 -0.810 -12.880 2.125 1.00 0.27 H new ATOM 0 HB3 TYR A 85 0.702 -13.749 1.949 1.00 0.27 H new ATOM 0 HD1 TYR A 85 -1.726 -12.598 4.542 1.00 0.34 H new ATOM 0 HD2 TYR A 85 1.277 -15.435 3.510 1.00 0.33 H new ATOM 0 HE1 TYR A 85 -2.252 -13.891 6.564 1.00 0.37 H new ATOM 0 HE2 TYR A 85 0.750 -16.731 5.517 1.00 0.37 H new ATOM 0 HH TYR A 85 -0.487 -16.891 7.365 1.00 0.44 H new ATOM 1262 N ARG A 86 0.423 -10.885 5.070 1.00 0.30 N ATOM 1263 CA ARG A 86 -0.235 -9.998 6.012 1.00 0.33 C ATOM 1264 C ARG A 86 0.064 -8.560 5.625 1.00 0.32 C ATOM 1265 O ARG A 86 -0.795 -7.681 5.709 1.00 0.32 O ATOM 1266 CB ARG A 86 0.240 -10.284 7.419 1.00 0.40 C ATOM 1267 CG ARG A 86 -0.054 -11.694 7.863 1.00 0.44 C ATOM 1268 CD ARG A 86 0.477 -11.924 9.248 1.00 0.55 C ATOM 1269 NE ARG A 86 1.932 -11.773 9.299 1.00 1.57 N ATOM 1270 CZ ARG A 86 2.675 -12.047 10.366 1.00 1.98 C ATOM 1271 NH1 ARG A 86 2.106 -12.488 11.482 1.00 1.57 N ATOM 1272 NH2 ARG A 86 3.990 -11.882 10.310 1.00 3.04 N ATOM 0 H ARG A 86 1.152 -11.470 5.478 1.00 0.30 H new ATOM 0 HA ARG A 86 -1.312 -10.162 5.982 1.00 0.33 H new ATOM 0 HB2 ARG A 86 1.314 -10.107 7.477 1.00 0.40 H new ATOM 0 HB3 ARG A 86 -0.236 -9.585 8.107 1.00 0.40 H new ATOM 0 HG2 ARG A 86 -1.129 -11.872 7.844 1.00 0.44 H new ATOM 0 HG3 ARG A 86 0.399 -12.403 7.170 1.00 0.44 H new ATOM 0 HD2 ARG A 86 0.013 -11.219 9.938 1.00 0.55 H new ATOM 0 HD3 ARG A 86 0.202 -12.925 9.582 1.00 0.55 H new ATOM 0 HE ARG A 86 2.406 -11.436 8.461 1.00 1.57 H new ATOM 0 HH11 ARG A 86 1.095 -12.618 11.522 1.00 1.57 H new ATOM 0 HH12 ARG A 86 2.680 -12.697 12.299 1.00 1.57 H new ATOM 0 HH21 ARG A 86 4.426 -11.546 9.451 1.00 3.04 H new ATOM 0 HH22 ARG A 86 4.565 -12.091 11.126 1.00 3.04 H new ATOM 1286 N GLN A 87 1.301 -8.359 5.196 1.00 0.33 N ATOM 1287 CA GLN A 87 1.768 -7.102 4.639 1.00 0.33 C ATOM 1288 C GLN A 87 1.068 -6.823 3.309 1.00 0.28 C ATOM 1289 O GLN A 87 0.705 -5.684 3.009 1.00 0.28 O ATOM 1290 CB GLN A 87 3.284 -7.201 4.449 1.00 0.39 C ATOM 1291 CG GLN A 87 3.942 -5.975 3.849 1.00 0.49 C ATOM 1292 CD GLN A 87 3.743 -4.727 4.688 1.00 0.57 C ATOM 1293 OE1 GLN A 87 4.532 -4.438 5.585 1.00 1.14 O ATOM 1294 NE2 GLN A 87 2.691 -3.977 4.400 1.00 1.46 N ATOM 0 H GLN A 87 2.021 -9.081 5.227 1.00 0.33 H new ATOM 0 HA GLN A 87 1.536 -6.277 5.312 1.00 0.33 H new ATOM 0 HB2 GLN A 87 3.743 -7.402 5.417 1.00 0.39 H new ATOM 0 HB3 GLN A 87 3.499 -8.058 3.810 1.00 0.39 H new ATOM 0 HG2 GLN A 87 5.010 -6.162 3.733 1.00 0.49 H new ATOM 0 HG3 GLN A 87 3.538 -5.804 2.851 1.00 0.49 H new ATOM 0 HE21 GLN A 87 2.060 -4.252 3.647 1.00 1.46 H new ATOM 0 HE22 GLN A 87 2.512 -3.124 4.931 1.00 1.46 H new ATOM 1303 N ILE A 88 0.880 -7.879 2.523 1.00 0.25 N ATOM 1304 CA ILE A 88 0.141 -7.799 1.265 1.00 0.22 C ATOM 1305 C ILE A 88 -1.288 -7.322 1.495 1.00 0.20 C ATOM 1306 O ILE A 88 -1.812 -6.518 0.728 1.00 0.20 O ATOM 1307 CB ILE A 88 0.140 -9.165 0.540 1.00 0.21 C ATOM 1308 CG1 ILE A 88 1.437 -9.321 -0.239 1.00 0.22 C ATOM 1309 CG2 ILE A 88 -1.054 -9.318 -0.385 1.00 0.20 C ATOM 1310 CD1 ILE A 88 1.637 -10.676 -0.861 1.00 0.23 C ATOM 0 H ILE A 88 1.234 -8.811 2.738 1.00 0.25 H new ATOM 0 HA ILE A 88 0.646 -7.070 0.631 1.00 0.22 H new ATOM 0 HB ILE A 88 0.063 -9.949 1.293 1.00 0.21 H new ATOM 0 HG12 ILE A 88 1.465 -8.567 -1.026 1.00 0.22 H new ATOM 0 HG13 ILE A 88 2.273 -9.116 0.429 1.00 0.22 H new ATOM 0 HG21 ILE A 88 -1.014 -10.292 -0.873 1.00 0.20 H new ATOM 0 HG22 ILE A 88 -1.975 -9.240 0.193 1.00 0.20 H new ATOM 0 HG23 ILE A 88 -1.032 -8.533 -1.140 1.00 0.20 H new ATOM 0 HD11 ILE A 88 2.587 -10.694 -1.395 1.00 0.23 H new ATOM 0 HD12 ILE A 88 1.645 -11.437 -0.081 1.00 0.23 H new ATOM 0 HD13 ILE A 88 0.824 -10.880 -1.558 1.00 0.23 H new ATOM 1322 N ALA A 89 -1.907 -7.807 2.555 1.00 0.21 N ATOM 1323 CA ALA A 89 -3.245 -7.370 2.913 1.00 0.21 C ATOM 1324 C ALA A 89 -3.254 -5.879 3.230 1.00 0.22 C ATOM 1325 O ALA A 89 -4.200 -5.171 2.893 1.00 0.21 O ATOM 1326 CB ALA A 89 -3.762 -8.173 4.089 1.00 0.24 C ATOM 0 H ALA A 89 -1.506 -8.503 3.183 1.00 0.21 H new ATOM 0 HA ALA A 89 -3.906 -7.540 2.063 1.00 0.21 H new ATOM 0 HB1 ALA A 89 -4.766 -7.835 4.347 1.00 0.24 H new ATOM 0 HB2 ALA A 89 -3.792 -9.230 3.823 1.00 0.24 H new ATOM 0 HB3 ALA A 89 -3.101 -8.033 4.944 1.00 0.24 H new ATOM 1332 N LYS A 90 -2.191 -5.397 3.860 1.00 0.24 N ATOM 1333 CA LYS A 90 -2.075 -3.975 4.153 1.00 0.27 C ATOM 1334 C LYS A 90 -1.889 -3.200 2.855 1.00 0.24 C ATOM 1335 O LYS A 90 -2.317 -2.055 2.731 1.00 0.26 O ATOM 1336 CB LYS A 90 -0.909 -3.695 5.108 1.00 0.33 C ATOM 1337 CG LYS A 90 -0.929 -4.532 6.383 1.00 0.46 C ATOM 1338 CD LYS A 90 -2.291 -4.514 7.071 1.00 0.50 C ATOM 1339 CE LYS A 90 -2.717 -3.113 7.485 1.00 0.67 C ATOM 1340 NZ LYS A 90 -1.801 -2.513 8.490 1.00 1.26 N ATOM 0 H LYS A 90 -1.404 -5.964 4.175 1.00 0.24 H new ATOM 0 HA LYS A 90 -2.992 -3.650 4.644 1.00 0.27 H new ATOM 0 HB2 LYS A 90 0.028 -3.877 4.582 1.00 0.33 H new ATOM 0 HB3 LYS A 90 -0.922 -2.639 5.380 1.00 0.33 H new ATOM 0 HG2 LYS A 90 -0.660 -5.561 6.143 1.00 0.46 H new ATOM 0 HG3 LYS A 90 -0.172 -4.157 7.072 1.00 0.46 H new ATOM 0 HD2 LYS A 90 -3.039 -4.934 6.399 1.00 0.50 H new ATOM 0 HD3 LYS A 90 -2.258 -5.155 7.952 1.00 0.50 H new ATOM 0 HE2 LYS A 90 -2.754 -2.473 6.604 1.00 0.67 H new ATOM 0 HE3 LYS A 90 -3.726 -3.150 7.895 1.00 0.67 H new ATOM 0 HZ1 LYS A 90 -2.189 -1.604 8.814 1.00 1.26 H new ATOM 0 HZ2 LYS A 90 -1.705 -3.157 9.301 1.00 1.26 H new ATOM 0 HZ3 LYS A 90 -0.867 -2.357 8.059 1.00 1.26 H new ATOM 1354 N ALA A 91 -1.250 -3.845 1.886 1.00 0.23 N ATOM 1355 CA ALA A 91 -1.100 -3.279 0.556 1.00 0.22 C ATOM 1356 C ALA A 91 -2.451 -3.208 -0.139 1.00 0.19 C ATOM 1357 O ALA A 91 -2.793 -2.193 -0.741 1.00 0.20 O ATOM 1358 CB ALA A 91 -0.115 -4.094 -0.266 1.00 0.22 C ATOM 0 H ALA A 91 -0.826 -4.766 2.000 1.00 0.23 H new ATOM 0 HA ALA A 91 -0.705 -2.268 0.651 1.00 0.22 H new ATOM 0 HB1 ALA A 91 -0.017 -3.654 -1.258 1.00 0.22 H new ATOM 0 HB2 ALA A 91 0.857 -4.096 0.228 1.00 0.22 H new ATOM 0 HB3 ALA A 91 -0.477 -5.118 -0.358 1.00 0.22 H new ATOM 1364 N TYR A 92 -3.220 -4.288 -0.037 1.00 0.17 N ATOM 1365 CA TYR A 92 -4.578 -4.320 -0.567 1.00 0.16 C ATOM 1366 C TYR A 92 -5.421 -3.231 0.057 1.00 0.16 C ATOM 1367 O TYR A 92 -6.212 -2.574 -0.620 1.00 0.16 O ATOM 1368 CB TYR A 92 -5.240 -5.672 -0.313 1.00 0.15 C ATOM 1369 CG TYR A 92 -4.865 -6.741 -1.304 1.00 0.15 C ATOM 1370 CD1 TYR A 92 -5.175 -6.608 -2.650 1.00 0.20 C ATOM 1371 CD2 TYR A 92 -4.203 -7.879 -0.892 1.00 0.16 C ATOM 1372 CE1 TYR A 92 -4.832 -7.591 -3.560 1.00 0.22 C ATOM 1373 CE2 TYR A 92 -3.857 -8.865 -1.789 1.00 0.18 C ATOM 1374 CZ TYR A 92 -4.172 -8.720 -3.124 1.00 0.21 C ATOM 1375 OH TYR A 92 -3.831 -9.707 -4.025 1.00 0.24 O ATOM 0 H TYR A 92 -2.924 -5.156 0.410 1.00 0.17 H new ATOM 0 HA TYR A 92 -4.510 -4.156 -1.642 1.00 0.16 H new ATOM 0 HB2 TYR A 92 -4.974 -6.011 0.688 1.00 0.15 H new ATOM 0 HB3 TYR A 92 -6.322 -5.542 -0.328 1.00 0.15 H new ATOM 0 HD1 TYR A 92 -5.692 -5.724 -2.992 1.00 0.20 H new ATOM 0 HD2 TYR A 92 -3.952 -7.999 0.152 1.00 0.16 H new ATOM 0 HE1 TYR A 92 -5.079 -7.475 -4.605 1.00 0.22 H new ATOM 0 HE2 TYR A 92 -3.340 -9.750 -1.448 1.00 0.18 H new ATOM 0 HH TYR A 92 -3.018 -10.161 -3.720 1.00 0.24 H new ATOM 1385 N ALA A 93 -5.242 -3.043 1.352 1.00 0.20 N ATOM 1386 CA ALA A 93 -5.971 -2.022 2.064 1.00 0.21 C ATOM 1387 C ALA A 93 -5.589 -0.640 1.561 1.00 0.23 C ATOM 1388 O ALA A 93 -6.442 0.225 1.435 1.00 0.26 O ATOM 1389 CB ALA A 93 -5.735 -2.134 3.558 1.00 0.25 C ATOM 0 H ALA A 93 -4.598 -3.586 1.927 1.00 0.20 H new ATOM 0 HA ALA A 93 -7.034 -2.171 1.877 1.00 0.21 H new ATOM 0 HB1 ALA A 93 -6.295 -1.354 4.074 1.00 0.25 H new ATOM 0 HB2 ALA A 93 -6.069 -3.111 3.907 1.00 0.25 H new ATOM 0 HB3 ALA A 93 -4.672 -2.017 3.768 1.00 0.25 H new ATOM 1395 N ARG A 94 -4.309 -0.443 1.257 1.00 0.24 N ATOM 1396 CA ARG A 94 -3.857 0.822 0.687 1.00 0.27 C ATOM 1397 C ARG A 94 -4.411 1.002 -0.716 1.00 0.24 C ATOM 1398 O ARG A 94 -4.830 2.098 -1.078 1.00 0.27 O ATOM 1399 CB ARG A 94 -2.329 0.923 0.662 1.00 0.34 C ATOM 1400 CG ARG A 94 -1.708 1.096 2.036 1.00 0.77 C ATOM 1401 CD ARG A 94 -0.258 1.547 1.945 1.00 0.53 C ATOM 1402 NE ARG A 94 0.352 1.673 3.270 1.00 0.72 N ATOM 1403 CZ ARG A 94 1.489 1.082 3.644 1.00 0.69 C ATOM 1404 NH1 ARG A 94 2.164 0.323 2.790 1.00 1.50 N ATOM 1405 NH2 ARG A 94 1.952 1.254 4.876 1.00 0.88 N ATOM 0 H ARG A 94 -3.573 -1.136 1.394 1.00 0.24 H new ATOM 0 HA ARG A 94 -4.234 1.619 1.328 1.00 0.27 H new ATOM 0 HB2 ARG A 94 -1.922 0.024 0.199 1.00 0.34 H new ATOM 0 HB3 ARG A 94 -2.039 1.765 0.033 1.00 0.34 H new ATOM 0 HG2 ARG A 94 -2.282 1.827 2.605 1.00 0.77 H new ATOM 0 HG3 ARG A 94 -1.763 0.154 2.581 1.00 0.77 H new ATOM 0 HD2 ARG A 94 0.309 0.832 1.349 1.00 0.53 H new ATOM 0 HD3 ARG A 94 -0.206 2.505 1.427 1.00 0.53 H new ATOM 0 HE ARG A 94 -0.127 2.255 3.957 1.00 0.72 H new ATOM 0 HH11 ARG A 94 1.815 0.188 1.841 1.00 1.50 H new ATOM 0 HH12 ARG A 94 3.032 -0.126 3.082 1.00 1.50 H new ATOM 0 HH21 ARG A 94 1.439 1.838 5.537 1.00 0.88 H new ATOM 0 HH22 ARG A 94 2.821 0.802 5.162 1.00 0.88 H new ATOM 1419 N ILE A 95 -4.419 -0.071 -1.501 1.00 0.21 N ATOM 1420 CA ILE A 95 -5.017 -0.038 -2.832 1.00 0.21 C ATOM 1421 C ILE A 95 -6.470 0.392 -2.735 1.00 0.20 C ATOM 1422 O ILE A 95 -6.881 1.381 -3.346 1.00 0.24 O ATOM 1423 CB ILE A 95 -4.955 -1.414 -3.528 1.00 0.19 C ATOM 1424 CG1 ILE A 95 -3.512 -1.853 -3.708 1.00 0.26 C ATOM 1425 CG2 ILE A 95 -5.649 -1.359 -4.879 1.00 0.28 C ATOM 1426 CD1 ILE A 95 -3.360 -3.237 -4.294 1.00 0.22 C ATOM 0 H ILE A 95 -4.019 -0.972 -1.240 1.00 0.21 H new ATOM 0 HA ILE A 95 -4.444 0.675 -3.425 1.00 0.21 H new ATOM 0 HB ILE A 95 -5.469 -2.139 -2.897 1.00 0.19 H new ATOM 0 HG12 ILE A 95 -3.003 -1.138 -4.354 1.00 0.26 H new ATOM 0 HG13 ILE A 95 -3.010 -1.822 -2.741 1.00 0.26 H new ATOM 0 HG21 ILE A 95 -5.596 -2.338 -5.356 1.00 0.28 H new ATOM 0 HG22 ILE A 95 -6.693 -1.079 -4.740 1.00 0.28 H new ATOM 0 HG23 ILE A 95 -5.156 -0.620 -5.511 1.00 0.28 H new ATOM 0 HD11 ILE A 95 -2.301 -3.477 -4.391 1.00 0.22 H new ATOM 0 HD12 ILE A 95 -3.838 -3.964 -3.638 1.00 0.22 H new ATOM 0 HD13 ILE A 95 -3.831 -3.270 -5.276 1.00 0.22 H new ATOM 1438 N GLY A 96 -7.230 -0.345 -1.939 1.00 0.17 N ATOM 1439 CA GLY A 96 -8.627 -0.039 -1.754 1.00 0.18 C ATOM 1440 C GLY A 96 -8.836 1.324 -1.133 1.00 0.20 C ATOM 1441 O GLY A 96 -9.791 2.015 -1.458 1.00 0.23 O ATOM 0 H GLY A 96 -6.898 -1.155 -1.416 1.00 0.17 H new ATOM 0 HA2 GLY A 96 -9.137 -0.080 -2.717 1.00 0.18 H new ATOM 0 HA3 GLY A 96 -9.083 -0.799 -1.120 1.00 0.18 H new ATOM 1445 N ASN A 97 -7.929 1.719 -0.248 1.00 0.20 N ATOM 1446 CA ASN A 97 -8.044 2.999 0.435 1.00 0.25 C ATOM 1447 C ASN A 97 -7.759 4.148 -0.522 1.00 0.25 C ATOM 1448 O ASN A 97 -8.317 5.231 -0.384 1.00 0.27 O ATOM 1449 CB ASN A 97 -7.102 3.062 1.640 1.00 0.31 C ATOM 1450 CG ASN A 97 -7.557 4.072 2.674 1.00 0.72 C ATOM 1451 OD1 ASN A 97 -8.745 4.363 2.789 1.00 1.32 O ATOM 1452 ND2 ASN A 97 -6.624 4.587 3.458 1.00 1.64 N ATOM 0 H ASN A 97 -7.108 1.172 0.012 1.00 0.20 H new ATOM 0 HA ASN A 97 -9.068 3.096 0.796 1.00 0.25 H new ATOM 0 HB2 ASN A 97 -7.039 2.076 2.101 1.00 0.31 H new ATOM 0 HB3 ASN A 97 -6.099 3.320 1.301 1.00 0.31 H new ATOM 0 HD21 ASN A 97 -6.881 5.250 4.189 1.00 1.64 H new ATOM 0 HD22 ASN A 97 -5.648 4.321 3.332 1.00 1.64 H new ATOM 1459 N SER A 98 -6.896 3.904 -1.497 1.00 0.26 N ATOM 1460 CA SER A 98 -6.620 4.887 -2.533 1.00 0.29 C ATOM 1461 C SER A 98 -7.877 5.127 -3.355 1.00 0.29 C ATOM 1462 O SER A 98 -8.278 6.268 -3.589 1.00 0.32 O ATOM 1463 CB SER A 98 -5.489 4.394 -3.430 1.00 0.32 C ATOM 1464 OG SER A 98 -4.338 4.092 -2.665 1.00 0.94 O ATOM 0 H SER A 98 -6.374 3.033 -1.592 1.00 0.26 H new ATOM 0 HA SER A 98 -6.314 5.825 -2.069 1.00 0.29 H new ATOM 0 HB2 SER A 98 -5.812 3.507 -3.976 1.00 0.32 H new ATOM 0 HB3 SER A 98 -5.249 5.155 -4.172 1.00 0.32 H new ATOM 0 HG SER A 98 -4.545 3.371 -2.034 1.00 0.94 H new ATOM 1470 N TYR A 99 -8.508 4.033 -3.761 1.00 0.28 N ATOM 1471 CA TYR A 99 -9.777 4.095 -4.465 1.00 0.29 C ATOM 1472 C TYR A 99 -10.846 4.718 -3.574 1.00 0.28 C ATOM 1473 O TYR A 99 -11.694 5.476 -4.035 1.00 0.31 O ATOM 1474 CB TYR A 99 -10.207 2.695 -4.898 1.00 0.26 C ATOM 1475 CG TYR A 99 -9.390 2.122 -6.028 1.00 0.29 C ATOM 1476 CD1 TYR A 99 -9.423 2.683 -7.294 1.00 0.36 C ATOM 1477 CD2 TYR A 99 -8.576 1.025 -5.819 1.00 0.28 C ATOM 1478 CE1 TYR A 99 -8.664 2.162 -8.322 1.00 0.40 C ATOM 1479 CE2 TYR A 99 -7.814 0.495 -6.833 1.00 0.32 C ATOM 1480 CZ TYR A 99 -7.914 1.071 -8.129 1.00 0.37 C ATOM 1481 OH TYR A 99 -7.096 0.540 -9.104 1.00 0.43 O ATOM 0 H TYR A 99 -8.157 3.087 -3.612 1.00 0.28 H new ATOM 0 HA TYR A 99 -9.654 4.717 -5.352 1.00 0.29 H new ATOM 0 HB2 TYR A 99 -10.142 2.025 -4.041 1.00 0.26 H new ATOM 0 HB3 TYR A 99 -11.254 2.725 -5.200 1.00 0.26 H new ATOM 0 HD1 TYR A 99 -10.052 3.541 -7.479 1.00 0.36 H new ATOM 0 HD2 TYR A 99 -8.538 0.574 -4.838 1.00 0.28 H new ATOM 0 HE1 TYR A 99 -8.676 2.639 -9.291 1.00 0.40 H new ATOM 0 HE2 TYR A 99 -7.154 -0.340 -6.649 1.00 0.32 H new ATOM 0 HH TYR A 99 -6.975 1.195 -9.822 1.00 0.43 H new ATOM 1491 N PHE A 100 -10.780 4.391 -2.292 1.00 0.26 N ATOM 1492 CA PHE A 100 -11.683 4.934 -1.283 1.00 0.27 C ATOM 1493 C PHE A 100 -11.598 6.461 -1.251 1.00 0.32 C ATOM 1494 O PHE A 100 -12.607 7.145 -1.104 1.00 0.40 O ATOM 1495 CB PHE A 100 -11.303 4.339 0.075 1.00 0.25 C ATOM 1496 CG PHE A 100 -12.242 4.634 1.214 1.00 0.28 C ATOM 1497 CD1 PHE A 100 -13.386 3.876 1.415 1.00 0.28 C ATOM 1498 CD2 PHE A 100 -11.997 5.703 2.055 1.00 0.38 C ATOM 1499 CE1 PHE A 100 -14.262 4.181 2.443 1.00 0.32 C ATOM 1500 CE2 PHE A 100 -12.871 6.016 3.077 1.00 0.43 C ATOM 1501 CZ PHE A 100 -13.948 5.104 3.358 1.00 0.37 C ATOM 0 H PHE A 100 -10.093 3.736 -1.918 1.00 0.26 H new ATOM 0 HA PHE A 100 -12.712 4.669 -1.525 1.00 0.27 H new ATOM 0 HB2 PHE A 100 -11.225 3.257 -0.034 1.00 0.25 H new ATOM 0 HB3 PHE A 100 -10.312 4.704 0.344 1.00 0.25 H new ATOM 0 HD1 PHE A 100 -13.595 3.040 0.764 1.00 0.28 H new ATOM 0 HD2 PHE A 100 -11.110 6.302 1.911 1.00 0.38 H new ATOM 0 HE1 PHE A 100 -15.210 3.667 2.506 1.00 0.32 H new ATOM 0 HE2 PHE A 100 -12.749 6.923 3.651 1.00 0.43 H new ATOM 0 HZ PHE A 100 -14.492 5.164 4.289 1.00 0.37 H new ATOM 1511 N LYS A 101 -10.392 6.990 -1.413 1.00 0.32 N ATOM 1512 CA LYS A 101 -10.183 8.434 -1.411 1.00 0.38 C ATOM 1513 C LYS A 101 -10.614 9.054 -2.737 1.00 0.41 C ATOM 1514 O LYS A 101 -11.026 10.214 -2.784 1.00 0.51 O ATOM 1515 CB LYS A 101 -8.708 8.769 -1.162 1.00 0.44 C ATOM 1516 CG LYS A 101 -8.133 8.178 0.116 1.00 0.57 C ATOM 1517 CD LYS A 101 -8.782 8.751 1.368 1.00 0.68 C ATOM 1518 CE LYS A 101 -8.373 10.198 1.598 1.00 0.63 C ATOM 1519 NZ LYS A 101 -8.956 10.751 2.847 1.00 0.74 N ATOM 0 H LYS A 101 -9.543 6.441 -1.548 1.00 0.32 H new ATOM 0 HA LYS A 101 -10.792 8.848 -0.607 1.00 0.38 H new ATOM 0 HB2 LYS A 101 -8.120 8.413 -2.008 1.00 0.44 H new ATOM 0 HB3 LYS A 101 -8.595 9.853 -1.129 1.00 0.44 H new ATOM 0 HG2 LYS A 101 -8.267 7.096 0.104 1.00 0.57 H new ATOM 0 HG3 LYS A 101 -7.060 8.366 0.149 1.00 0.57 H new ATOM 0 HD2 LYS A 101 -9.866 8.689 1.278 1.00 0.68 H new ATOM 0 HD3 LYS A 101 -8.499 8.150 2.233 1.00 0.68 H new ATOM 0 HE2 LYS A 101 -7.286 10.264 1.646 1.00 0.63 H new ATOM 0 HE3 LYS A 101 -8.692 10.804 0.750 1.00 0.63 H new ATOM 0 HZ1 LYS A 101 -8.652 11.739 2.965 1.00 0.74 H new ATOM 0 HZ2 LYS A 101 -9.994 10.713 2.792 1.00 0.74 H new ATOM 0 HZ3 LYS A 101 -8.631 10.190 3.660 1.00 0.74 H new ATOM 1533 N GLU A 102 -10.514 8.284 -3.815 1.00 0.37 N ATOM 1534 CA GLU A 102 -10.798 8.804 -5.145 1.00 0.40 C ATOM 1535 C GLU A 102 -12.248 8.523 -5.557 1.00 0.39 C ATOM 1536 O GLU A 102 -12.654 8.818 -6.682 1.00 0.42 O ATOM 1537 CB GLU A 102 -9.814 8.221 -6.158 1.00 0.40 C ATOM 1538 CG GLU A 102 -10.299 6.976 -6.876 1.00 0.38 C ATOM 1539 CD GLU A 102 -9.353 6.559 -7.985 1.00 0.44 C ATOM 1540 OE1 GLU A 102 -8.334 5.904 -7.680 1.00 0.45 O ATOM 1541 OE2 GLU A 102 -9.636 6.853 -9.162 1.00 0.57 O ATOM 0 H GLU A 102 -10.240 7.302 -3.793 1.00 0.37 H new ATOM 0 HA GLU A 102 -10.673 9.887 -5.124 1.00 0.40 H new ATOM 0 HB2 GLU A 102 -9.585 8.985 -6.901 1.00 0.40 H new ATOM 0 HB3 GLU A 102 -8.882 7.986 -5.644 1.00 0.40 H new ATOM 0 HG2 GLU A 102 -10.401 6.160 -6.160 1.00 0.38 H new ATOM 0 HG3 GLU A 102 -11.289 7.160 -7.293 1.00 0.38 H new ATOM 1548 N GLU A 103 -13.010 7.946 -4.625 1.00 0.36 N ATOM 1549 CA GLU A 103 -14.436 7.650 -4.811 1.00 0.35 C ATOM 1550 C GLU A 103 -14.667 6.439 -5.714 1.00 0.35 C ATOM 1551 O GLU A 103 -15.785 6.210 -6.175 1.00 0.45 O ATOM 1552 CB GLU A 103 -15.199 8.862 -5.352 1.00 0.38 C ATOM 1553 CG GLU A 103 -15.188 10.058 -4.416 1.00 1.11 C ATOM 1554 CD GLU A 103 -15.897 11.256 -5.004 1.00 1.17 C ATOM 1555 OE1 GLU A 103 -15.639 11.586 -6.178 1.00 1.47 O ATOM 1556 OE2 GLU A 103 -16.711 11.880 -4.295 1.00 1.31 O ATOM 0 H GLU A 103 -12.653 7.668 -3.711 1.00 0.36 H new ATOM 0 HA GLU A 103 -14.825 7.407 -3.822 1.00 0.35 H new ATOM 0 HB2 GLU A 103 -14.766 9.156 -6.308 1.00 0.38 H new ATOM 0 HB3 GLU A 103 -16.232 8.573 -5.546 1.00 0.38 H new ATOM 0 HG2 GLU A 103 -15.664 9.784 -3.475 1.00 1.11 H new ATOM 0 HG3 GLU A 103 -14.157 10.326 -4.186 1.00 1.11 H new ATOM 1563 N LYS A 104 -13.622 5.660 -5.954 1.00 0.32 N ATOM 1564 CA LYS A 104 -13.759 4.391 -6.662 1.00 0.31 C ATOM 1565 C LYS A 104 -14.037 3.277 -5.664 1.00 0.28 C ATOM 1566 O LYS A 104 -13.282 2.312 -5.561 1.00 0.27 O ATOM 1567 CB LYS A 104 -12.500 4.064 -7.470 1.00 0.34 C ATOM 1568 CG LYS A 104 -12.440 4.745 -8.826 1.00 0.64 C ATOM 1569 CD LYS A 104 -11.307 4.200 -9.684 1.00 0.47 C ATOM 1570 CE LYS A 104 -11.263 4.865 -11.051 1.00 1.11 C ATOM 1571 NZ LYS A 104 -12.505 4.631 -11.833 1.00 1.89 N ATOM 0 H LYS A 104 -12.668 5.883 -5.669 1.00 0.32 H new ATOM 0 HA LYS A 104 -14.592 4.478 -7.359 1.00 0.31 H new ATOM 0 HB2 LYS A 104 -11.624 4.354 -6.890 1.00 0.34 H new ATOM 0 HB3 LYS A 104 -12.444 2.985 -7.614 1.00 0.34 H new ATOM 0 HG2 LYS A 104 -13.388 4.605 -9.345 1.00 0.64 H new ATOM 0 HG3 LYS A 104 -12.307 5.818 -8.688 1.00 0.64 H new ATOM 0 HD2 LYS A 104 -10.357 4.356 -9.173 1.00 0.47 H new ATOM 0 HD3 LYS A 104 -11.430 3.124 -9.807 1.00 0.47 H new ATOM 0 HE2 LYS A 104 -11.112 5.937 -10.926 1.00 1.11 H new ATOM 0 HE3 LYS A 104 -10.408 4.485 -11.610 1.00 1.11 H new ATOM 0 HZ1 LYS A 104 -12.349 4.907 -12.823 1.00 1.89 H new ATOM 0 HZ2 LYS A 104 -12.758 3.623 -11.790 1.00 1.89 H new ATOM 0 HZ3 LYS A 104 -13.279 5.199 -11.433 1.00 1.89 H new ATOM 1585 N TYR A 105 -15.131 3.421 -4.933 1.00 0.28 N ATOM 1586 CA TYR A 105 -15.467 2.494 -3.853 1.00 0.25 C ATOM 1587 C TYR A 105 -15.702 1.083 -4.375 1.00 0.26 C ATOM 1588 O TYR A 105 -15.516 0.113 -3.643 1.00 0.25 O ATOM 1589 CB TYR A 105 -16.690 2.978 -3.072 1.00 0.26 C ATOM 1590 CG TYR A 105 -16.511 4.369 -2.519 1.00 0.29 C ATOM 1591 CD1 TYR A 105 -15.659 4.595 -1.450 1.00 0.29 C ATOM 1592 CD2 TYR A 105 -17.165 5.456 -3.083 1.00 0.34 C ATOM 1593 CE1 TYR A 105 -15.464 5.862 -0.950 1.00 0.34 C ATOM 1594 CE2 TYR A 105 -16.970 6.734 -2.592 1.00 0.39 C ATOM 1595 CZ TYR A 105 -16.119 6.930 -1.523 1.00 0.38 C ATOM 1596 OH TYR A 105 -15.915 8.198 -1.032 1.00 0.46 O ATOM 0 H TYR A 105 -15.807 4.173 -5.065 1.00 0.28 H new ATOM 0 HA TYR A 105 -14.611 2.466 -3.178 1.00 0.25 H new ATOM 0 HB2 TYR A 105 -17.563 2.960 -3.724 1.00 0.26 H new ATOM 0 HB3 TYR A 105 -16.890 2.288 -2.252 1.00 0.26 H new ATOM 0 HD1 TYR A 105 -15.139 3.762 -1.001 1.00 0.29 H new ATOM 0 HD2 TYR A 105 -17.835 5.302 -3.916 1.00 0.34 H new ATOM 0 HE1 TYR A 105 -14.801 6.018 -0.112 1.00 0.34 H new ATOM 0 HE2 TYR A 105 -17.480 7.573 -3.042 1.00 0.39 H new ATOM 0 HH TYR A 105 -16.450 8.838 -1.547 1.00 0.46 H new ATOM 1606 N LYS A 106 -16.096 0.971 -5.636 1.00 0.31 N ATOM 1607 CA LYS A 106 -16.263 -0.334 -6.264 1.00 0.35 C ATOM 1608 C LYS A 106 -14.940 -1.089 -6.242 1.00 0.31 C ATOM 1609 O LYS A 106 -14.884 -2.268 -5.884 1.00 0.31 O ATOM 1610 CB LYS A 106 -16.750 -0.171 -7.702 1.00 0.44 C ATOM 1611 CG LYS A 106 -18.046 0.607 -7.808 1.00 0.56 C ATOM 1612 CD LYS A 106 -18.389 0.940 -9.246 1.00 0.78 C ATOM 1613 CE LYS A 106 -19.644 1.791 -9.328 1.00 0.94 C ATOM 1614 NZ LYS A 106 -20.847 1.059 -8.856 1.00 1.57 N ATOM 0 H LYS A 106 -16.305 1.764 -6.243 1.00 0.31 H new ATOM 0 HA LYS A 106 -17.008 -0.902 -5.707 1.00 0.35 H new ATOM 0 HB2 LYS A 106 -15.981 0.336 -8.284 1.00 0.44 H new ATOM 0 HB3 LYS A 106 -16.888 -1.157 -8.146 1.00 0.44 H new ATOM 0 HG2 LYS A 106 -18.856 0.026 -7.367 1.00 0.56 H new ATOM 0 HG3 LYS A 106 -17.965 1.528 -7.231 1.00 0.56 H new ATOM 0 HD2 LYS A 106 -17.556 1.470 -9.708 1.00 0.78 H new ATOM 0 HD3 LYS A 106 -18.533 0.019 -9.811 1.00 0.78 H new ATOM 0 HE2 LYS A 106 -19.510 2.692 -8.729 1.00 0.94 H new ATOM 0 HE3 LYS A 106 -19.797 2.113 -10.358 1.00 0.94 H new ATOM 0 HZ1 LYS A 106 -21.702 1.528 -9.216 1.00 1.57 H new ATOM 0 HZ2 LYS A 106 -20.817 0.080 -9.205 1.00 1.57 H new ATOM 0 HZ3 LYS A 106 -20.866 1.056 -7.816 1.00 1.57 H new ATOM 1628 N ASP A 107 -13.874 -0.385 -6.599 1.00 0.30 N ATOM 1629 CA ASP A 107 -12.535 -0.955 -6.574 1.00 0.29 C ATOM 1630 C ASP A 107 -12.009 -1.005 -5.147 1.00 0.23 C ATOM 1631 O ASP A 107 -11.251 -1.906 -4.789 1.00 0.21 O ATOM 1632 CB ASP A 107 -11.582 -0.143 -7.453 1.00 0.33 C ATOM 1633 CG ASP A 107 -11.847 -0.322 -8.931 1.00 0.46 C ATOM 1634 OD1 ASP A 107 -11.778 -1.467 -9.415 1.00 0.67 O ATOM 1635 OD2 ASP A 107 -12.122 0.684 -9.620 1.00 0.64 O ATOM 0 H ASP A 107 -13.912 0.586 -6.910 1.00 0.30 H new ATOM 0 HA ASP A 107 -12.591 -1.970 -6.969 1.00 0.29 H new ATOM 0 HB2 ASP A 107 -11.672 0.913 -7.198 1.00 0.33 H new ATOM 0 HB3 ASP A 107 -10.555 -0.437 -7.235 1.00 0.33 H new ATOM 1640 N ALA A 108 -12.422 -0.032 -4.339 1.00 0.22 N ATOM 1641 CA ALA A 108 -12.046 0.014 -2.931 1.00 0.18 C ATOM 1642 C ALA A 108 -12.435 -1.284 -2.239 1.00 0.16 C ATOM 1643 O ALA A 108 -11.579 -2.014 -1.745 1.00 0.16 O ATOM 1644 CB ALA A 108 -12.698 1.204 -2.232 1.00 0.18 C ATOM 0 H ALA A 108 -13.020 0.738 -4.638 1.00 0.22 H new ATOM 0 HA ALA A 108 -10.964 0.135 -2.870 1.00 0.18 H new ATOM 0 HB1 ALA A 108 -12.402 1.217 -1.183 1.00 0.18 H new ATOM 0 HB2 ALA A 108 -12.376 2.129 -2.711 1.00 0.18 H new ATOM 0 HB3 ALA A 108 -13.782 1.118 -2.302 1.00 0.18 H new ATOM 1650 N ILE A 109 -13.730 -1.574 -2.249 1.00 0.17 N ATOM 1651 CA ILE A 109 -14.268 -2.779 -1.633 1.00 0.18 C ATOM 1652 C ILE A 109 -13.656 -4.036 -2.249 1.00 0.19 C ATOM 1653 O ILE A 109 -13.426 -5.028 -1.556 1.00 0.20 O ATOM 1654 CB ILE A 109 -15.804 -2.810 -1.780 1.00 0.21 C ATOM 1655 CG1 ILE A 109 -16.410 -1.654 -0.998 1.00 0.22 C ATOM 1656 CG2 ILE A 109 -16.378 -4.126 -1.291 1.00 0.24 C ATOM 1657 CD1 ILE A 109 -17.640 -1.063 -1.636 1.00 0.51 C ATOM 0 H ILE A 109 -14.436 -0.980 -2.684 1.00 0.17 H new ATOM 0 HA ILE A 109 -14.009 -2.761 -0.574 1.00 0.18 H new ATOM 0 HB ILE A 109 -16.052 -2.710 -2.837 1.00 0.21 H new ATOM 0 HG12 ILE A 109 -16.663 -2.000 0.004 1.00 0.22 H new ATOM 0 HG13 ILE A 109 -15.660 -0.872 -0.885 1.00 0.22 H new ATOM 0 HG21 ILE A 109 -17.462 -4.116 -1.408 1.00 0.24 H new ATOM 0 HG22 ILE A 109 -15.958 -4.945 -1.874 1.00 0.24 H new ATOM 0 HG23 ILE A 109 -16.128 -4.264 -0.239 1.00 0.24 H new ATOM 0 HD11 ILE A 109 -18.013 -0.245 -1.019 1.00 0.51 H new ATOM 0 HD12 ILE A 109 -17.390 -0.685 -2.627 1.00 0.51 H new ATOM 0 HD13 ILE A 109 -18.409 -1.831 -1.724 1.00 0.51 H new ATOM 1669 N HIS A 110 -13.376 -3.975 -3.549 1.00 0.20 N ATOM 1670 CA HIS A 110 -12.750 -5.089 -4.252 1.00 0.23 C ATOM 1671 C HIS A 110 -11.450 -5.485 -3.561 1.00 0.20 C ATOM 1672 O HIS A 110 -11.311 -6.605 -3.067 1.00 0.23 O ATOM 1673 CB HIS A 110 -12.461 -4.711 -5.712 1.00 0.27 C ATOM 1674 CG HIS A 110 -11.894 -5.834 -6.532 1.00 0.32 C ATOM 1675 ND1 HIS A 110 -12.671 -6.693 -7.274 1.00 0.40 N ATOM 1676 CD2 HIS A 110 -10.614 -6.234 -6.722 1.00 0.34 C ATOM 1677 CE1 HIS A 110 -11.894 -7.571 -7.881 1.00 0.44 C ATOM 1678 NE2 HIS A 110 -10.641 -7.312 -7.569 1.00 0.40 N ATOM 0 H HIS A 110 -13.573 -3.165 -4.136 1.00 0.20 H new ATOM 0 HA HIS A 110 -13.439 -5.934 -4.235 1.00 0.23 H new ATOM 0 HB2 HIS A 110 -13.384 -4.365 -6.177 1.00 0.27 H new ATOM 0 HB3 HIS A 110 -11.763 -3.874 -5.729 1.00 0.27 H new ATOM 0 HD1 HIS A 110 -13.688 -6.657 -7.344 1.00 0.40 H new ATOM 0 HD2 HIS A 110 -9.733 -5.786 -6.286 1.00 0.34 H new ATOM 0 HE1 HIS A 110 -12.230 -8.369 -8.526 1.00 0.44 H new ATOM 1687 N PHE A 111 -10.513 -4.552 -3.508 1.00 0.18 N ATOM 1688 CA PHE A 111 -9.200 -4.821 -2.943 1.00 0.17 C ATOM 1689 C PHE A 111 -9.255 -4.867 -1.421 1.00 0.16 C ATOM 1690 O PHE A 111 -8.373 -5.439 -0.783 1.00 0.20 O ATOM 1691 CB PHE A 111 -8.195 -3.784 -3.433 1.00 0.17 C ATOM 1692 CG PHE A 111 -7.958 -3.859 -4.915 1.00 0.21 C ATOM 1693 CD1 PHE A 111 -7.132 -4.834 -5.452 1.00 0.22 C ATOM 1694 CD2 PHE A 111 -8.565 -2.956 -5.773 1.00 0.26 C ATOM 1695 CE1 PHE A 111 -6.917 -4.907 -6.813 1.00 0.27 C ATOM 1696 CE2 PHE A 111 -8.353 -3.026 -7.135 1.00 0.31 C ATOM 1697 CZ PHE A 111 -7.509 -3.995 -7.653 1.00 0.32 C ATOM 0 H PHE A 111 -10.638 -3.599 -3.850 1.00 0.18 H new ATOM 0 HA PHE A 111 -8.871 -5.803 -3.283 1.00 0.17 H new ATOM 0 HB2 PHE A 111 -8.554 -2.787 -3.177 1.00 0.17 H new ATOM 0 HB3 PHE A 111 -7.249 -3.926 -2.911 1.00 0.17 H new ATOM 0 HD1 PHE A 111 -6.651 -5.545 -4.797 1.00 0.22 H new ATOM 0 HD2 PHE A 111 -9.211 -2.189 -5.372 1.00 0.26 H new ATOM 0 HE1 PHE A 111 -6.283 -5.682 -7.218 1.00 0.27 H new ATOM 0 HE2 PHE A 111 -8.844 -2.327 -7.796 1.00 0.31 H new ATOM 0 HZ PHE A 111 -7.317 -4.033 -8.715 1.00 0.32 H new ATOM 1707 N TYR A 112 -10.286 -4.270 -0.835 1.00 0.15 N ATOM 1708 CA TYR A 112 -10.541 -4.455 0.585 1.00 0.17 C ATOM 1709 C TYR A 112 -10.787 -5.930 0.864 1.00 0.20 C ATOM 1710 O TYR A 112 -10.110 -6.534 1.689 1.00 0.22 O ATOM 1711 CB TYR A 112 -11.749 -3.643 1.061 1.00 0.17 C ATOM 1712 CG TYR A 112 -11.484 -2.179 1.321 1.00 0.19 C ATOM 1713 CD1 TYR A 112 -10.239 -1.726 1.751 1.00 0.21 C ATOM 1714 CD2 TYR A 112 -12.500 -1.248 1.164 1.00 0.20 C ATOM 1715 CE1 TYR A 112 -10.022 -0.390 2.008 1.00 0.25 C ATOM 1716 CE2 TYR A 112 -12.289 0.084 1.424 1.00 0.23 C ATOM 1717 CZ TYR A 112 -11.050 0.511 1.848 1.00 0.25 C ATOM 1718 OH TYR A 112 -10.840 1.839 2.121 1.00 0.32 O ATOM 0 H TYR A 112 -10.950 -3.662 -1.315 1.00 0.15 H new ATOM 0 HA TYR A 112 -9.665 -4.102 1.130 1.00 0.17 H new ATOM 0 HB2 TYR A 112 -12.538 -3.725 0.313 1.00 0.17 H new ATOM 0 HB3 TYR A 112 -12.130 -4.094 1.977 1.00 0.17 H new ATOM 0 HD1 TYR A 112 -9.433 -2.432 1.885 1.00 0.21 H new ATOM 0 HD2 TYR A 112 -13.474 -1.576 0.832 1.00 0.20 H new ATOM 0 HE1 TYR A 112 -9.050 -0.051 2.334 1.00 0.25 H new ATOM 0 HE2 TYR A 112 -13.092 0.795 1.296 1.00 0.23 H new ATOM 0 HH TYR A 112 -11.633 2.355 1.865 1.00 0.32 H new ATOM 1728 N ASN A 113 -11.746 -6.507 0.149 1.00 0.22 N ATOM 1729 CA ASN A 113 -12.061 -7.926 0.267 1.00 0.28 C ATOM 1730 C ASN A 113 -10.834 -8.776 -0.050 1.00 0.27 C ATOM 1731 O ASN A 113 -10.669 -9.871 0.481 1.00 0.31 O ATOM 1732 CB ASN A 113 -13.204 -8.282 -0.685 1.00 0.34 C ATOM 1733 CG ASN A 113 -13.740 -9.680 -0.463 1.00 1.02 C ATOM 1734 OD1 ASN A 113 -13.248 -10.650 -1.038 1.00 1.77 O ATOM 1735 ND2 ASN A 113 -14.765 -9.786 0.362 1.00 1.23 N ATOM 0 H ASN A 113 -12.325 -6.007 -0.526 1.00 0.22 H new ATOM 0 HA ASN A 113 -12.368 -8.132 1.292 1.00 0.28 H new ATOM 0 HB2 ASN A 113 -14.014 -7.563 -0.558 1.00 0.34 H new ATOM 0 HB3 ASN A 113 -12.855 -8.191 -1.714 1.00 0.34 H new ATOM 0 HD21 ASN A 113 -15.181 -10.699 0.544 1.00 1.23 H new ATOM 0 HD22 ASN A 113 -15.141 -8.954 0.817 1.00 1.23 H new ATOM 1742 N LYS A 114 -9.974 -8.252 -0.916 1.00 0.25 N ATOM 1743 CA LYS A 114 -8.708 -8.898 -1.246 1.00 0.24 C ATOM 1744 C LYS A 114 -7.777 -8.909 -0.038 1.00 0.21 C ATOM 1745 O LYS A 114 -6.999 -9.838 0.155 1.00 0.23 O ATOM 1746 CB LYS A 114 -8.037 -8.157 -2.389 1.00 0.26 C ATOM 1747 CG LYS A 114 -8.791 -8.219 -3.694 1.00 0.34 C ATOM 1748 CD LYS A 114 -8.291 -9.365 -4.521 1.00 0.37 C ATOM 1749 CE LYS A 114 -8.876 -9.359 -5.906 1.00 0.48 C ATOM 1750 NZ LYS A 114 -8.422 -10.528 -6.703 1.00 1.25 N ATOM 0 H LYS A 114 -10.133 -7.372 -1.407 1.00 0.25 H new ATOM 0 HA LYS A 114 -8.914 -9.927 -1.542 1.00 0.24 H new ATOM 0 HB2 LYS A 114 -7.910 -7.112 -2.105 1.00 0.26 H new ATOM 0 HB3 LYS A 114 -7.039 -8.570 -2.539 1.00 0.26 H new ATOM 0 HG2 LYS A 114 -9.858 -8.336 -3.502 1.00 0.34 H new ATOM 0 HG3 LYS A 114 -8.666 -7.284 -4.240 1.00 0.34 H new ATOM 0 HD2 LYS A 114 -7.204 -9.317 -4.587 1.00 0.37 H new ATOM 0 HD3 LYS A 114 -8.540 -10.304 -4.027 1.00 0.37 H new ATOM 0 HE2 LYS A 114 -9.964 -9.364 -5.841 1.00 0.48 H new ATOM 0 HE3 LYS A 114 -8.592 -8.439 -6.416 1.00 0.48 H new ATOM 0 HZ1 LYS A 114 -8.847 -10.488 -7.651 1.00 1.25 H new ATOM 0 HZ2 LYS A 114 -7.386 -10.510 -6.787 1.00 1.25 H new ATOM 0 HZ3 LYS A 114 -8.715 -11.406 -6.229 1.00 1.25 H new ATOM 1764 N SER A 115 -7.853 -7.862 0.767 1.00 0.20 N ATOM 1765 CA SER A 115 -7.098 -7.806 2.002 1.00 0.21 C ATOM 1766 C SER A 115 -7.677 -8.810 2.990 1.00 0.25 C ATOM 1767 O SER A 115 -6.940 -9.525 3.660 1.00 0.28 O ATOM 1768 CB SER A 115 -7.128 -6.394 2.586 1.00 0.23 C ATOM 1769 OG SER A 115 -6.402 -6.318 3.795 1.00 1.04 O ATOM 0 H SER A 115 -8.430 -7.041 0.585 1.00 0.20 H new ATOM 0 HA SER A 115 -6.058 -8.061 1.801 1.00 0.21 H new ATOM 0 HB2 SER A 115 -6.710 -5.692 1.865 1.00 0.23 H new ATOM 0 HB3 SER A 115 -8.161 -6.094 2.761 1.00 0.23 H new ATOM 0 HG SER A 115 -5.657 -5.689 3.691 1.00 1.04 H new ATOM 1775 N LEU A 116 -9.012 -8.879 3.056 1.00 0.26 N ATOM 1776 CA LEU A 116 -9.685 -9.917 3.839 1.00 0.31 C ATOM 1777 C LEU A 116 -9.276 -11.296 3.321 1.00 0.33 C ATOM 1778 O LEU A 116 -9.232 -12.275 4.070 1.00 0.38 O ATOM 1779 CB LEU A 116 -11.221 -9.785 3.766 1.00 0.34 C ATOM 1780 CG LEU A 116 -11.879 -8.696 4.636 1.00 0.36 C ATOM 1781 CD1 LEU A 116 -11.277 -8.659 6.026 1.00 0.38 C ATOM 1782 CD2 LEU A 116 -11.787 -7.330 3.987 1.00 0.35 C ATOM 0 H LEU A 116 -9.642 -8.233 2.580 1.00 0.26 H new ATOM 0 HA LEU A 116 -9.382 -9.796 4.879 1.00 0.31 H new ATOM 0 HB2 LEU A 116 -11.495 -9.598 2.728 1.00 0.34 H new ATOM 0 HB3 LEU A 116 -11.656 -10.746 4.042 1.00 0.34 H new ATOM 0 HG LEU A 116 -12.933 -8.957 4.726 1.00 0.36 H new ATOM 0 HD11 LEU A 116 -11.764 -7.880 6.613 1.00 0.38 H new ATOM 0 HD12 LEU A 116 -11.423 -9.624 6.512 1.00 0.38 H new ATOM 0 HD13 LEU A 116 -10.210 -8.446 5.955 1.00 0.38 H new ATOM 0 HD21 LEU A 116 -12.262 -6.589 4.630 1.00 0.35 H new ATOM 0 HD22 LEU A 116 -10.739 -7.066 3.841 1.00 0.35 H new ATOM 0 HD23 LEU A 116 -12.294 -7.351 3.022 1.00 0.35 H new ATOM 1794 N ALA A 117 -8.969 -11.347 2.029 1.00 0.31 N ATOM 1795 CA ALA A 117 -8.582 -12.575 1.354 1.00 0.33 C ATOM 1796 C ALA A 117 -7.204 -13.059 1.810 1.00 0.33 C ATOM 1797 O ALA A 117 -6.972 -14.263 1.922 1.00 0.41 O ATOM 1798 CB ALA A 117 -8.607 -12.357 -0.157 1.00 0.32 C ATOM 0 H ALA A 117 -8.983 -10.530 1.419 1.00 0.31 H new ATOM 0 HA ALA A 117 -9.298 -13.353 1.617 1.00 0.33 H new ATOM 0 HB1 ALA A 117 -8.317 -13.278 -0.662 1.00 0.32 H new ATOM 0 HB2 ALA A 117 -9.613 -12.074 -0.467 1.00 0.32 H new ATOM 0 HB3 ALA A 117 -7.909 -11.563 -0.422 1.00 0.32 H new ATOM 1804 N GLU A 118 -6.295 -12.129 2.079 1.00 0.29 N ATOM 1805 CA GLU A 118 -4.943 -12.491 2.501 1.00 0.30 C ATOM 1806 C GLU A 118 -4.799 -12.466 4.021 1.00 0.32 C ATOM 1807 O GLU A 118 -4.320 -13.425 4.625 1.00 0.36 O ATOM 1808 CB GLU A 118 -3.913 -11.552 1.874 1.00 0.27 C ATOM 1809 CG GLU A 118 -3.772 -11.705 0.369 1.00 0.30 C ATOM 1810 CD GLU A 118 -3.484 -13.133 -0.045 1.00 0.41 C ATOM 1811 OE1 GLU A 118 -2.458 -13.695 0.392 1.00 0.53 O ATOM 1812 OE2 GLU A 118 -4.287 -13.705 -0.809 1.00 0.53 O ATOM 0 H GLU A 118 -6.465 -11.125 2.014 1.00 0.29 H new ATOM 0 HA GLU A 118 -4.761 -13.509 2.157 1.00 0.30 H new ATOM 0 HB2 GLU A 118 -4.191 -10.522 2.100 1.00 0.27 H new ATOM 0 HB3 GLU A 118 -2.944 -11.730 2.339 1.00 0.27 H new ATOM 0 HG2 GLU A 118 -4.689 -11.368 -0.115 1.00 0.30 H new ATOM 0 HG3 GLU A 118 -2.969 -11.059 0.015 1.00 0.30 H new ATOM 1819 N HIS A 119 -5.227 -11.375 4.637 1.00 0.32 N ATOM 1820 CA HIS A 119 -5.064 -11.186 6.071 1.00 0.36 C ATOM 1821 C HIS A 119 -6.244 -10.396 6.636 1.00 0.37 C ATOM 1822 O HIS A 119 -6.288 -9.167 6.558 1.00 0.36 O ATOM 1823 CB HIS A 119 -3.709 -10.506 6.343 1.00 0.35 C ATOM 1824 CG HIS A 119 -3.495 -9.958 7.726 1.00 0.40 C ATOM 1825 ND1 HIS A 119 -2.566 -8.976 8.002 1.00 0.42 N ATOM 1826 CD2 HIS A 119 -4.042 -10.289 8.911 1.00 0.45 C ATOM 1827 CE1 HIS A 119 -2.549 -8.742 9.299 1.00 0.48 C ATOM 1828 NE2 HIS A 119 -3.436 -9.525 9.875 1.00 0.50 N ATOM 0 H HIS A 119 -5.693 -10.602 4.163 1.00 0.32 H new ATOM 0 HA HIS A 119 -5.059 -12.149 6.581 1.00 0.36 H new ATOM 0 HB2 HIS A 119 -2.919 -11.228 6.137 1.00 0.35 H new ATOM 0 HB3 HIS A 119 -3.589 -9.689 5.631 1.00 0.35 H new ATOM 0 HD1 HIS A 119 -1.983 -8.505 7.310 1.00 0.42 H new ATOM 0 HD2 HIS A 119 -4.817 -11.023 9.073 1.00 0.45 H new ATOM 0 HE1 HIS A 119 -1.914 -8.028 9.804 1.00 0.48 H new ATOM 1837 N ARG A 120 -7.191 -11.136 7.199 1.00 0.41 N ATOM 1838 CA ARG A 120 -8.418 -10.575 7.752 1.00 0.43 C ATOM 1839 C ARG A 120 -8.122 -9.605 8.891 1.00 0.46 C ATOM 1840 O ARG A 120 -7.716 -10.010 9.981 1.00 0.53 O ATOM 1841 CB ARG A 120 -9.317 -11.715 8.237 1.00 0.49 C ATOM 1842 CG ARG A 120 -10.578 -11.262 8.955 1.00 0.55 C ATOM 1843 CD ARG A 120 -11.447 -12.452 9.334 1.00 0.62 C ATOM 1844 NE ARG A 120 -10.701 -13.455 10.096 1.00 1.38 N ATOM 1845 CZ ARG A 120 -11.186 -14.647 10.444 1.00 1.78 C ATOM 1846 NH1 ARG A 120 -12.430 -14.980 10.134 1.00 1.57 N ATOM 1847 NH2 ARG A 120 -10.419 -15.506 11.105 1.00 2.87 N ATOM 0 H ARG A 120 -7.129 -12.150 7.285 1.00 0.41 H new ATOM 0 HA ARG A 120 -8.929 -10.012 6.971 1.00 0.43 H new ATOM 0 HB2 ARG A 120 -9.602 -12.326 7.380 1.00 0.49 H new ATOM 0 HB3 ARG A 120 -8.742 -12.354 8.907 1.00 0.49 H new ATOM 0 HG2 ARG A 120 -10.309 -10.703 9.851 1.00 0.55 H new ATOM 0 HG3 ARG A 120 -11.142 -10.585 8.314 1.00 0.55 H new ATOM 0 HD2 ARG A 120 -12.297 -12.107 9.923 1.00 0.62 H new ATOM 0 HD3 ARG A 120 -11.850 -12.909 8.430 1.00 0.62 H new ATOM 0 HE ARG A 120 -9.748 -13.227 10.379 1.00 1.38 H new ATOM 0 HH11 ARG A 120 -13.022 -14.323 9.626 1.00 1.57 H new ATOM 0 HH12 ARG A 120 -12.796 -15.893 10.403 1.00 1.57 H new ATOM 0 HH21 ARG A 120 -9.461 -15.253 11.346 1.00 2.87 H new ATOM 0 HH22 ARG A 120 -10.788 -16.418 11.372 1.00 2.87 H new ATOM 1861 N THR A 121 -8.326 -8.325 8.628 1.00 0.45 N ATOM 1862 CA THR A 121 -8.066 -7.291 9.612 1.00 0.50 C ATOM 1863 C THR A 121 -9.289 -6.412 9.821 1.00 0.49 C ATOM 1864 O THR A 121 -9.990 -6.040 8.875 1.00 0.47 O ATOM 1865 CB THR A 121 -6.876 -6.418 9.189 1.00 0.53 C ATOM 1866 OG1 THR A 121 -7.024 -6.017 7.822 1.00 0.52 O ATOM 1867 CG2 THR A 121 -5.566 -7.160 9.359 1.00 0.62 C ATOM 0 H THR A 121 -8.673 -7.977 7.734 1.00 0.45 H new ATOM 0 HA THR A 121 -7.826 -7.790 10.551 1.00 0.50 H new ATOM 0 HB THR A 121 -6.860 -5.537 9.831 1.00 0.53 H new ATOM 0 HG1 THR A 121 -6.262 -5.459 7.560 1.00 0.52 H new ATOM 0 HG21 THR A 121 -4.741 -6.517 9.052 1.00 0.62 H new ATOM 0 HG22 THR A 121 -5.439 -7.439 10.405 1.00 0.62 H new ATOM 0 HG23 THR A 121 -5.574 -8.059 8.743 1.00 0.62 H new ATOM 1875 N PRO A 122 -9.555 -6.109 11.102 1.00 0.56 N ATOM 1876 CA PRO A 122 -10.675 -5.275 11.555 1.00 0.56 C ATOM 1877 C PRO A 122 -10.802 -3.953 10.802 1.00 0.51 C ATOM 1878 O PRO A 122 -11.910 -3.507 10.529 1.00 0.50 O ATOM 1879 CB PRO A 122 -10.341 -5.002 13.032 1.00 0.65 C ATOM 1880 CG PRO A 122 -8.934 -5.466 13.201 1.00 0.76 C ATOM 1881 CD PRO A 122 -8.775 -6.589 12.245 1.00 0.69 C ATOM 0 HA PRO A 122 -11.627 -5.779 11.387 1.00 0.56 H new ATOM 0 HB2 PRO A 122 -10.439 -3.943 13.270 1.00 0.65 H new ATOM 0 HB3 PRO A 122 -11.017 -5.541 13.696 1.00 0.65 H new ATOM 0 HG2 PRO A 122 -8.227 -4.664 12.987 1.00 0.76 H new ATOM 0 HG3 PRO A 122 -8.747 -5.791 14.224 1.00 0.76 H new ATOM 0 HD2 PRO A 122 -7.731 -6.763 11.986 1.00 0.69 H new ATOM 0 HD3 PRO A 122 -9.164 -7.526 12.644 1.00 0.69 H new ATOM 1889 N ASP A 123 -9.670 -3.332 10.485 1.00 0.50 N ATOM 1890 CA ASP A 123 -9.663 -2.053 9.771 1.00 0.48 C ATOM 1891 C ASP A 123 -10.242 -2.195 8.383 1.00 0.40 C ATOM 1892 O ASP A 123 -11.145 -1.460 8.024 1.00 0.40 O ATOM 1893 CB ASP A 123 -8.247 -1.493 9.691 1.00 0.55 C ATOM 1894 CG ASP A 123 -8.169 -0.206 8.889 1.00 1.42 C ATOM 1895 OD1 ASP A 123 -8.517 0.864 9.433 1.00 2.20 O ATOM 1896 OD2 ASP A 123 -7.776 -0.261 7.704 1.00 2.06 O ATOM 0 H ASP A 123 -8.743 -3.692 10.710 1.00 0.50 H new ATOM 0 HA ASP A 123 -10.289 -1.358 10.331 1.00 0.48 H new ATOM 0 HB2 ASP A 123 -7.876 -1.311 10.699 1.00 0.55 H new ATOM 0 HB3 ASP A 123 -7.591 -2.238 9.240 1.00 0.55 H new ATOM 1901 N VAL A 124 -9.758 -3.146 7.606 1.00 0.35 N ATOM 1902 CA VAL A 124 -10.248 -3.297 6.246 1.00 0.29 C ATOM 1903 C VAL A 124 -11.688 -3.780 6.255 1.00 0.28 C ATOM 1904 O VAL A 124 -12.458 -3.461 5.362 1.00 0.28 O ATOM 1905 CB VAL A 124 -9.403 -4.273 5.416 1.00 0.28 C ATOM 1906 CG1 VAL A 124 -9.844 -4.234 3.968 1.00 0.32 C ATOM 1907 CG2 VAL A 124 -7.923 -3.963 5.531 1.00 0.31 C ATOM 0 H VAL A 124 -9.040 -3.815 7.884 1.00 0.35 H new ATOM 0 HA VAL A 124 -10.178 -2.313 5.782 1.00 0.29 H new ATOM 0 HB VAL A 124 -9.559 -5.277 5.810 1.00 0.28 H new ATOM 0 HG11 VAL A 124 -9.240 -4.929 3.385 1.00 0.32 H new ATOM 0 HG12 VAL A 124 -10.894 -4.520 3.900 1.00 0.32 H new ATOM 0 HG13 VAL A 124 -9.716 -3.225 3.576 1.00 0.32 H new ATOM 0 HG21 VAL A 124 -7.355 -4.674 4.931 1.00 0.31 H new ATOM 0 HG22 VAL A 124 -7.734 -2.952 5.171 1.00 0.31 H new ATOM 0 HG23 VAL A 124 -7.615 -4.041 6.574 1.00 0.31 H new ATOM 1917 N LEU A 125 -12.047 -4.554 7.265 1.00 0.35 N ATOM 1918 CA LEU A 125 -13.431 -4.959 7.455 1.00 0.38 C ATOM 1919 C LEU A 125 -14.274 -3.711 7.717 1.00 0.38 C ATOM 1920 O LEU A 125 -15.303 -3.484 7.077 1.00 0.38 O ATOM 1921 CB LEU A 125 -13.512 -5.948 8.621 1.00 0.45 C ATOM 1922 CG LEU A 125 -14.837 -6.700 8.787 1.00 0.51 C ATOM 1923 CD1 LEU A 125 -14.621 -7.938 9.640 1.00 0.61 C ATOM 1924 CD2 LEU A 125 -15.894 -5.816 9.429 1.00 0.54 C ATOM 0 H LEU A 125 -11.400 -4.915 7.966 1.00 0.35 H new ATOM 0 HA LEU A 125 -13.816 -5.457 6.565 1.00 0.38 H new ATOM 0 HB2 LEU A 125 -12.715 -6.682 8.502 1.00 0.45 H new ATOM 0 HB3 LEU A 125 -13.310 -5.405 9.544 1.00 0.45 H new ATOM 0 HG LEU A 125 -15.189 -6.991 7.797 1.00 0.51 H new ATOM 0 HD11 LEU A 125 -15.566 -8.470 9.755 1.00 0.61 H new ATOM 0 HD12 LEU A 125 -13.894 -8.591 9.157 1.00 0.61 H new ATOM 0 HD13 LEU A 125 -14.248 -7.643 10.621 1.00 0.61 H new ATOM 0 HD21 LEU A 125 -16.823 -6.377 9.534 1.00 0.54 H new ATOM 0 HD22 LEU A 125 -15.551 -5.495 10.413 1.00 0.54 H new ATOM 0 HD23 LEU A 125 -16.067 -4.942 8.802 1.00 0.54 H new ATOM 1936 N LYS A 126 -13.793 -2.906 8.655 1.00 0.40 N ATOM 1937 CA LYS A 126 -14.350 -1.594 8.961 1.00 0.42 C ATOM 1938 C LYS A 126 -14.491 -0.750 7.695 1.00 0.39 C ATOM 1939 O LYS A 126 -15.531 -0.142 7.436 1.00 0.43 O ATOM 1940 CB LYS A 126 -13.402 -0.900 9.952 1.00 0.48 C ATOM 1941 CG LYS A 126 -13.528 0.611 10.013 1.00 0.58 C ATOM 1942 CD LYS A 126 -12.389 1.229 10.807 1.00 0.72 C ATOM 1943 CE LYS A 126 -12.600 2.720 11.024 1.00 1.37 C ATOM 1944 NZ LYS A 126 -13.797 2.999 11.863 1.00 2.04 N ATOM 0 H LYS A 126 -12.990 -3.150 9.235 1.00 0.40 H new ATOM 0 HA LYS A 126 -15.344 -1.708 9.393 1.00 0.42 H new ATOM 0 HB2 LYS A 126 -13.583 -1.305 10.948 1.00 0.48 H new ATOM 0 HB3 LYS A 126 -12.375 -1.153 9.687 1.00 0.48 H new ATOM 0 HG2 LYS A 126 -13.532 1.019 9.002 1.00 0.58 H new ATOM 0 HG3 LYS A 126 -14.480 0.880 10.470 1.00 0.58 H new ATOM 0 HD2 LYS A 126 -12.304 0.729 11.772 1.00 0.72 H new ATOM 0 HD3 LYS A 126 -11.448 1.067 10.281 1.00 0.72 H new ATOM 0 HE2 LYS A 126 -11.717 3.145 11.500 1.00 1.37 H new ATOM 0 HE3 LYS A 126 -12.711 3.214 10.059 1.00 1.37 H new ATOM 0 HZ1 LYS A 126 -13.757 3.978 12.211 1.00 2.04 H new ATOM 0 HZ2 LYS A 126 -14.658 2.869 11.294 1.00 2.04 H new ATOM 0 HZ3 LYS A 126 -13.814 2.345 12.672 1.00 2.04 H new ATOM 1958 N LYS A 127 -13.432 -0.747 6.911 1.00 0.33 N ATOM 1959 CA LYS A 127 -13.317 0.094 5.736 1.00 0.31 C ATOM 1960 C LYS A 127 -14.151 -0.432 4.573 1.00 0.27 C ATOM 1961 O LYS A 127 -14.723 0.343 3.808 1.00 0.27 O ATOM 1962 CB LYS A 127 -11.844 0.189 5.362 1.00 0.31 C ATOM 1963 CG LYS A 127 -11.032 0.923 6.414 1.00 0.52 C ATOM 1964 CD LYS A 127 -11.398 2.389 6.509 1.00 0.55 C ATOM 1965 CE LYS A 127 -10.923 3.165 5.295 1.00 0.82 C ATOM 1966 NZ LYS A 127 -9.441 3.202 5.200 1.00 1.48 N ATOM 0 H LYS A 127 -12.616 -1.337 7.074 1.00 0.33 H new ATOM 0 HA LYS A 127 -13.709 1.085 5.963 1.00 0.31 H new ATOM 0 HB2 LYS A 127 -11.439 -0.814 5.228 1.00 0.31 H new ATOM 0 HB3 LYS A 127 -11.746 0.703 4.406 1.00 0.31 H new ATOM 0 HG2 LYS A 127 -11.187 0.450 7.384 1.00 0.52 H new ATOM 0 HG3 LYS A 127 -9.971 0.831 6.180 1.00 0.52 H new ATOM 0 HD2 LYS A 127 -12.479 2.489 6.605 1.00 0.55 H new ATOM 0 HD3 LYS A 127 -10.957 2.817 7.410 1.00 0.55 H new ATOM 0 HE2 LYS A 127 -11.332 2.711 4.392 1.00 0.82 H new ATOM 0 HE3 LYS A 127 -11.308 4.184 5.343 1.00 0.82 H new ATOM 0 HZ1 LYS A 127 -9.157 3.877 4.461 1.00 1.48 H new ATOM 0 HZ2 LYS A 127 -9.042 3.500 6.113 1.00 1.48 H new ATOM 0 HZ3 LYS A 127 -9.085 2.255 4.959 1.00 1.48 H new ATOM 1980 N CYS A 128 -14.230 -1.749 4.458 1.00 0.27 N ATOM 1981 CA CYS A 128 -14.992 -2.385 3.396 1.00 0.26 C ATOM 1982 C CYS A 128 -16.474 -2.120 3.589 1.00 0.29 C ATOM 1983 O CYS A 128 -17.182 -1.777 2.641 1.00 0.32 O ATOM 1984 CB CYS A 128 -14.722 -3.893 3.371 1.00 0.26 C ATOM 1985 SG CYS A 128 -15.576 -4.778 2.047 1.00 0.91 S ATOM 0 H CYS A 128 -13.771 -2.402 5.093 1.00 0.27 H new ATOM 0 HA CYS A 128 -14.679 -1.963 2.441 1.00 0.26 H new ATOM 0 HB2 CYS A 128 -13.649 -4.057 3.269 1.00 0.26 H new ATOM 0 HB3 CYS A 128 -15.020 -4.320 4.329 1.00 0.26 H new ATOM 0 HG CYS A 128 -15.282 -6.043 2.110 1.00 0.91 H new ATOM 1991 N GLN A 129 -16.938 -2.263 4.825 1.00 0.32 N ATOM 1992 CA GLN A 129 -18.327 -1.986 5.147 1.00 0.36 C ATOM 1993 C GLN A 129 -18.623 -0.504 4.963 1.00 0.32 C ATOM 1994 O GLN A 129 -19.717 -0.127 4.540 1.00 0.35 O ATOM 1995 CB GLN A 129 -18.652 -2.413 6.577 1.00 0.44 C ATOM 1996 CG GLN A 129 -18.527 -3.910 6.800 1.00 0.50 C ATOM 1997 CD GLN A 129 -18.887 -4.331 8.212 1.00 0.60 C ATOM 1998 OE1 GLN A 129 -19.360 -5.446 8.439 1.00 1.38 O ATOM 1999 NE2 GLN A 129 -18.669 -3.446 9.173 1.00 1.10 N ATOM 0 H GLN A 129 -16.372 -2.568 5.617 1.00 0.32 H new ATOM 0 HA GLN A 129 -18.955 -2.562 4.468 1.00 0.36 H new ATOM 0 HB2 GLN A 129 -17.985 -1.893 7.265 1.00 0.44 H new ATOM 0 HB3 GLN A 129 -19.667 -2.100 6.820 1.00 0.44 H new ATOM 0 HG2 GLN A 129 -19.174 -4.432 6.095 1.00 0.50 H new ATOM 0 HG3 GLN A 129 -17.505 -4.220 6.584 1.00 0.50 H new ATOM 0 HE21 GLN A 129 -18.276 -2.533 8.946 1.00 1.10 H new ATOM 0 HE22 GLN A 129 -18.894 -3.678 10.140 1.00 1.10 H new ATOM 2008 N GLN A 130 -17.627 0.326 5.262 1.00 0.31 N ATOM 2009 CA GLN A 130 -17.759 1.769 5.128 1.00 0.30 C ATOM 2010 C GLN A 130 -17.919 2.161 3.664 1.00 0.26 C ATOM 2011 O GLN A 130 -18.870 2.844 3.303 1.00 0.27 O ATOM 2012 CB GLN A 130 -16.546 2.480 5.728 1.00 0.34 C ATOM 2013 CG GLN A 130 -16.719 3.986 5.837 1.00 0.41 C ATOM 2014 CD GLN A 130 -15.560 4.661 6.542 1.00 0.94 C ATOM 2015 OE1 GLN A 130 -15.231 5.812 6.258 1.00 1.72 O ATOM 2016 NE2 GLN A 130 -14.939 3.955 7.475 1.00 1.65 N ATOM 0 H GLN A 130 -16.715 0.019 5.601 1.00 0.31 H new ATOM 0 HA GLN A 130 -18.651 2.077 5.673 1.00 0.30 H new ATOM 0 HB2 GLN A 130 -16.349 2.072 6.719 1.00 0.34 H new ATOM 0 HB3 GLN A 130 -15.670 2.266 5.116 1.00 0.34 H new ATOM 0 HG2 GLN A 130 -16.826 4.408 4.838 1.00 0.41 H new ATOM 0 HG3 GLN A 130 -17.642 4.203 6.375 1.00 0.41 H new ATOM 0 HE21 GLN A 130 -15.243 3.003 7.681 1.00 1.65 H new ATOM 0 HE22 GLN A 130 -14.157 4.363 7.988 1.00 1.65 H new ATOM 2025 N ALA A 131 -17.000 1.715 2.819 1.00 0.23 N ATOM 2026 CA ALA A 131 -17.058 2.041 1.398 1.00 0.21 C ATOM 2027 C ALA A 131 -18.335 1.514 0.765 1.00 0.23 C ATOM 2028 O ALA A 131 -18.874 2.118 -0.157 1.00 0.29 O ATOM 2029 CB ALA A 131 -15.854 1.481 0.668 1.00 0.20 C ATOM 0 H ALA A 131 -16.209 1.130 3.089 1.00 0.23 H new ATOM 0 HA ALA A 131 -17.051 3.127 1.311 1.00 0.21 H new ATOM 0 HB1 ALA A 131 -15.919 1.736 -0.390 1.00 0.20 H new ATOM 0 HB2 ALA A 131 -14.943 1.906 1.089 1.00 0.20 H new ATOM 0 HB3 ALA A 131 -15.833 0.397 0.779 1.00 0.20 H new ATOM 2035 N GLU A 132 -18.813 0.391 1.277 1.00 0.26 N ATOM 2036 CA GLU A 132 -20.003 -0.247 0.745 1.00 0.35 C ATOM 2037 C GLU A 132 -21.243 0.592 1.052 1.00 0.35 C ATOM 2038 O GLU A 132 -22.093 0.793 0.185 1.00 0.43 O ATOM 2039 CB GLU A 132 -20.112 -1.658 1.318 1.00 0.48 C ATOM 2040 CG GLU A 132 -21.038 -2.590 0.553 1.00 1.02 C ATOM 2041 CD GLU A 132 -22.440 -2.632 1.119 1.00 1.24 C ATOM 2042 OE1 GLU A 132 -22.632 -3.213 2.206 1.00 1.41 O ATOM 2043 OE2 GLU A 132 -23.359 -2.068 0.481 1.00 2.04 O ATOM 0 H GLU A 132 -18.391 -0.099 2.066 1.00 0.26 H new ATOM 0 HA GLU A 132 -19.931 -0.321 -0.340 1.00 0.35 H new ATOM 0 HB2 GLU A 132 -19.116 -2.101 1.346 1.00 0.48 H new ATOM 0 HB3 GLU A 132 -20.460 -1.590 2.349 1.00 0.48 H new ATOM 0 HG2 GLU A 132 -21.083 -2.273 -0.489 1.00 1.02 H new ATOM 0 HG3 GLU A 132 -20.619 -3.596 0.562 1.00 1.02 H new ATOM 2050 N LYS A 133 -21.322 1.116 2.271 1.00 0.32 N ATOM 2051 CA LYS A 133 -22.444 1.966 2.659 1.00 0.36 C ATOM 2052 C LYS A 133 -22.295 3.354 2.038 1.00 0.37 C ATOM 2053 O LYS A 133 -23.282 3.997 1.682 1.00 0.46 O ATOM 2054 CB LYS A 133 -22.550 2.058 4.187 1.00 0.37 C ATOM 2055 CG LYS A 133 -21.377 2.763 4.846 1.00 0.36 C ATOM 2056 CD LYS A 133 -21.294 2.460 6.330 1.00 0.66 C ATOM 2057 CE LYS A 133 -22.565 2.860 7.057 1.00 1.04 C ATOM 2058 NZ LYS A 133 -22.468 2.613 8.518 1.00 1.90 N ATOM 0 H LYS A 133 -20.628 0.969 3.004 1.00 0.32 H new ATOM 0 HA LYS A 133 -23.365 1.519 2.285 1.00 0.36 H new ATOM 0 HB2 LYS A 133 -23.469 2.584 4.446 1.00 0.37 H new ATOM 0 HB3 LYS A 133 -22.632 1.051 4.597 1.00 0.37 H new ATOM 0 HG2 LYS A 133 -20.450 2.456 4.361 1.00 0.36 H new ATOM 0 HG3 LYS A 133 -21.472 3.839 4.700 1.00 0.36 H new ATOM 0 HD2 LYS A 133 -21.112 1.395 6.474 1.00 0.66 H new ATOM 0 HD3 LYS A 133 -20.445 2.990 6.763 1.00 0.66 H new ATOM 0 HE2 LYS A 133 -22.767 3.916 6.880 1.00 1.04 H new ATOM 0 HE3 LYS A 133 -23.408 2.301 6.649 1.00 1.04 H new ATOM 0 HZ1 LYS A 133 -23.356 2.899 8.978 1.00 1.90 H new ATOM 0 HZ2 LYS A 133 -22.300 1.601 8.689 1.00 1.90 H new ATOM 0 HZ3 LYS A 133 -21.680 3.166 8.912 1.00 1.90 H new ATOM 2072 N ILE A 134 -21.052 3.806 1.899 1.00 0.32 N ATOM 2073 CA ILE A 134 -20.764 5.059 1.215 1.00 0.34 C ATOM 2074 C ILE A 134 -21.208 4.976 -0.237 1.00 0.39 C ATOM 2075 O ILE A 134 -21.952 5.828 -0.716 1.00 0.48 O ATOM 2076 CB ILE A 134 -19.258 5.409 1.277 1.00 0.31 C ATOM 2077 CG1 ILE A 134 -18.852 5.801 2.691 1.00 0.32 C ATOM 2078 CG2 ILE A 134 -18.920 6.535 0.328 1.00 0.34 C ATOM 2079 CD1 ILE A 134 -17.377 6.104 2.842 1.00 0.33 C ATOM 0 H ILE A 134 -20.227 3.321 2.253 1.00 0.32 H new ATOM 0 HA ILE A 134 -21.318 5.848 1.725 1.00 0.34 H new ATOM 0 HB ILE A 134 -18.704 4.519 0.978 1.00 0.31 H new ATOM 0 HG12 ILE A 134 -19.426 6.677 2.994 1.00 0.32 H new ATOM 0 HG13 ILE A 134 -19.119 4.993 3.373 1.00 0.32 H new ATOM 0 HG21 ILE A 134 -17.855 6.759 0.394 1.00 0.34 H new ATOM 0 HG22 ILE A 134 -19.166 6.238 -0.691 1.00 0.34 H new ATOM 0 HG23 ILE A 134 -19.494 7.422 0.596 1.00 0.34 H new ATOM 0 HD11 ILE A 134 -17.165 6.375 3.876 1.00 0.33 H new ATOM 0 HD12 ILE A 134 -16.795 5.223 2.571 1.00 0.33 H new ATOM 0 HD13 ILE A 134 -17.107 6.932 2.187 1.00 0.33 H new ATOM 2091 N LEU A 135 -20.770 3.927 -0.920 1.00 0.38 N ATOM 2092 CA LEU A 135 -21.106 3.723 -2.320 1.00 0.48 C ATOM 2093 C LEU A 135 -22.608 3.505 -2.483 1.00 0.58 C ATOM 2094 O LEU A 135 -23.174 3.776 -3.540 1.00 0.71 O ATOM 2095 CB LEU A 135 -20.332 2.531 -2.879 1.00 0.51 C ATOM 2096 CG LEU A 135 -20.462 2.326 -4.387 1.00 0.59 C ATOM 2097 CD1 LEU A 135 -19.873 3.499 -5.156 1.00 1.33 C ATOM 2098 CD2 LEU A 135 -19.807 1.021 -4.803 1.00 1.37 C ATOM 0 H LEU A 135 -20.176 3.199 -0.522 1.00 0.38 H new ATOM 0 HA LEU A 135 -20.825 4.616 -2.879 1.00 0.48 H new ATOM 0 HB2 LEU A 135 -19.277 2.655 -2.634 1.00 0.51 H new ATOM 0 HB3 LEU A 135 -20.672 1.627 -2.374 1.00 0.51 H new ATOM 0 HG LEU A 135 -21.523 2.272 -4.631 1.00 0.59 H new ATOM 0 HD11 LEU A 135 -19.981 3.323 -6.226 1.00 1.33 H new ATOM 0 HD12 LEU A 135 -20.399 4.414 -4.884 1.00 1.33 H new ATOM 0 HD13 LEU A 135 -18.816 3.602 -4.910 1.00 1.33 H new ATOM 0 HD21 LEU A 135 -19.909 0.890 -5.880 1.00 1.37 H new ATOM 0 HD22 LEU A 135 -18.750 1.044 -4.538 1.00 1.37 H new ATOM 0 HD23 LEU A 135 -20.292 0.191 -4.289 1.00 1.37 H new ATOM 2110 N LYS A 136 -23.241 3.025 -1.420 1.00 0.58 N ATOM 2111 CA LYS A 136 -24.685 2.843 -1.394 1.00 0.72 C ATOM 2112 C LYS A 136 -25.396 4.196 -1.460 1.00 0.77 C ATOM 2113 O LYS A 136 -26.506 4.305 -1.977 1.00 0.91 O ATOM 2114 CB LYS A 136 -25.086 2.087 -0.126 1.00 0.79 C ATOM 2115 CG LYS A 136 -26.582 1.886 0.042 1.00 1.26 C ATOM 2116 CD LYS A 136 -27.157 1.011 -1.057 1.00 1.73 C ATOM 2117 CE LYS A 136 -28.651 0.814 -0.878 1.00 2.54 C ATOM 2118 NZ LYS A 136 -29.229 -0.043 -1.944 1.00 3.36 N ATOM 0 H LYS A 136 -22.770 2.753 -0.557 1.00 0.58 H new ATOM 0 HA LYS A 136 -24.985 2.259 -2.264 1.00 0.72 H new ATOM 0 HB2 LYS A 136 -24.600 1.112 -0.131 1.00 0.79 H new ATOM 0 HB3 LYS A 136 -24.706 2.629 0.740 1.00 0.79 H new ATOM 0 HG2 LYS A 136 -26.781 1.430 1.012 1.00 1.26 H new ATOM 0 HG3 LYS A 136 -27.082 2.854 0.036 1.00 1.26 H new ATOM 0 HD2 LYS A 136 -26.962 1.467 -2.028 1.00 1.73 H new ATOM 0 HD3 LYS A 136 -26.657 0.042 -1.053 1.00 1.73 H new ATOM 0 HE2 LYS A 136 -28.843 0.362 0.095 1.00 2.54 H new ATOM 0 HE3 LYS A 136 -29.148 1.784 -0.883 1.00 2.54 H new ATOM 0 HZ1 LYS A 136 -30.251 -0.153 -1.785 1.00 3.36 H new ATOM 0 HZ2 LYS A 136 -29.068 0.400 -2.871 1.00 3.36 H new ATOM 0 HZ3 LYS A 136 -28.773 -0.978 -1.923 1.00 3.36 H new ATOM 2132 N GLU A 137 -24.743 5.223 -0.935 1.00 0.70 N ATOM 2133 CA GLU A 137 -25.286 6.572 -0.975 1.00 0.82 C ATOM 2134 C GLU A 137 -24.830 7.303 -2.233 1.00 0.87 C ATOM 2135 O GLU A 137 -25.499 8.224 -2.704 1.00 1.03 O ATOM 2136 CB GLU A 137 -24.854 7.357 0.258 1.00 0.82 C ATOM 2137 CG GLU A 137 -25.362 6.768 1.557 1.00 1.02 C ATOM 2138 CD GLU A 137 -24.912 7.564 2.762 1.00 1.61 C ATOM 2139 OE1 GLU A 137 -23.759 8.045 2.767 1.00 2.01 O ATOM 2140 OE2 GLU A 137 -25.715 7.733 3.704 1.00 2.28 O ATOM 0 H GLU A 137 -23.835 5.147 -0.476 1.00 0.70 H new ATOM 0 HA GLU A 137 -26.373 6.496 -0.988 1.00 0.82 H new ATOM 0 HB2 GLU A 137 -23.765 7.400 0.289 1.00 0.82 H new ATOM 0 HB3 GLU A 137 -25.211 8.383 0.169 1.00 0.82 H new ATOM 0 HG2 GLU A 137 -26.451 6.730 1.535 1.00 1.02 H new ATOM 0 HG3 GLU A 137 -25.009 5.741 1.650 1.00 1.02 H new ATOM 2147 N GLN A 138 -23.688 6.886 -2.769 1.00 0.80 N ATOM 2148 CA GLN A 138 -23.095 7.537 -3.936 1.00 0.89 C ATOM 2149 C GLN A 138 -23.893 7.244 -5.202 1.00 1.04 C ATOM 2150 O GLN A 138 -23.943 8.067 -6.118 1.00 1.19 O ATOM 2151 CB GLN A 138 -21.648 7.085 -4.117 1.00 0.87 C ATOM 2152 CG GLN A 138 -20.778 7.419 -2.923 1.00 0.80 C ATOM 2153 CD GLN A 138 -20.502 8.900 -2.778 1.00 1.08 C ATOM 2154 OE1 GLN A 138 -20.393 9.630 -3.764 1.00 1.75 O ATOM 2155 NE2 GLN A 138 -20.405 9.358 -1.540 1.00 1.60 N ATOM 0 H GLN A 138 -23.150 6.096 -2.413 1.00 0.80 H new ATOM 0 HA GLN A 138 -23.117 8.613 -3.763 1.00 0.89 H new ATOM 0 HB2 GLN A 138 -21.626 6.009 -4.287 1.00 0.87 H new ATOM 0 HB3 GLN A 138 -21.233 7.557 -5.007 1.00 0.87 H new ATOM 0 HG2 GLN A 138 -21.263 7.057 -2.016 1.00 0.80 H new ATOM 0 HG3 GLN A 138 -19.831 6.887 -3.012 1.00 0.80 H new ATOM 0 HE21 GLN A 138 -20.502 8.719 -0.751 1.00 1.60 H new ATOM 0 HE22 GLN A 138 -20.234 10.350 -1.375 1.00 1.60 H new ATOM 2164 N GLU A 139 -24.501 6.064 -5.252 1.00 1.14 N ATOM 2165 CA GLU A 139 -25.321 5.673 -6.392 1.00 1.35 C ATOM 2166 C GLU A 139 -26.586 6.527 -6.465 1.00 1.86 C ATOM 2167 O GLU A 139 -26.679 7.376 -7.376 1.00 2.30 O ATOM 2168 CB GLU A 139 -25.672 4.177 -6.331 1.00 1.47 C ATOM 2169 CG GLU A 139 -26.172 3.706 -4.973 1.00 1.46 C ATOM 2170 CD GLU A 139 -26.764 2.312 -5.014 1.00 2.03 C ATOM 2171 OE1 GLU A 139 -27.963 2.173 -5.333 1.00 2.99 O ATOM 2172 OE2 GLU A 139 -26.028 1.343 -4.731 1.00 1.94 O ATOM 2173 OXT GLU A 139 -27.469 6.380 -5.591 1.00 2.51 O ATOM 0 H GLU A 139 -24.441 5.361 -4.515 1.00 1.14 H new ATOM 0 HA GLU A 139 -24.742 5.844 -7.300 1.00 1.35 H new ATOM 0 HB2 GLU A 139 -26.435 3.964 -7.080 1.00 1.47 H new ATOM 0 HB3 GLU A 139 -24.789 3.597 -6.601 1.00 1.47 H new ATOM 0 HG2 GLU A 139 -25.347 3.724 -4.261 1.00 1.46 H new ATOM 0 HG3 GLU A 139 -26.924 4.404 -4.606 1.00 1.46 H new TER 2180 GLU A 139