USER MOD reduce.3.24.130724 H: found=0, std=0, add=1099, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1099 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 67 SER OG : rot -69:sc= -0.829 USER MOD Set 1.2: A 106 LYS NZ :NH3+ 145:sc= -2.89! (180deg=-4.74!) USER MOD Set 2.1: A 61 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 65 GLN : amide:sc= -0.032 X(o=-0.032,f=-0.2) USER MOD Set 3.1: A 53 GLN : amide:sc= -18.3! C(o=-19!,f=-19!) USER MOD Set 3.2: A 54 LYS NZ :NH3+ -142:sc= 0 (180deg=-0.575) USER MOD Set 3.3: A 93 SER OG : rot -70:sc= -0.921 USER MOD Set 4.1: A 35 TYR OH : rot 140:sc= -2.22! USER MOD Set 4.2: A 37 THR OG1 : rot 19:sc= 0.0215 USER MOD Set 5.1: A 2 ASN : amide:sc= -7.5! C(o=-14!,f=-4.2!) USER MOD Set 5.2: A 5 TYR OH : rot 70:sc= -0.102 USER MOD Set 5.3: A 87 GLN : amide:sc= -5.93! C(o=-14!,f=-4.2!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -171:sc= 0 (180deg=-0.0357) USER MOD Single : A 6 GLN : amide:sc= -7.84! K(o=-7.8!,f=-0.39) USER MOD Single : A 9 LYS NZ :NH3+ -139:sc= -1.45! (180deg=-3.82!) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 15:sc= -1.9! USER MOD Single : A 25 ASN : amide:sc= -5.49! K(o=-5.5!,f=-3.6) USER MOD Single : A 28 THR OG1 : rot 17:sc= 0.995 USER MOD Single : A 29 LYS NZ :NH3+ -162:sc= -0.0167 (180deg=-0.164) USER MOD Single : A 32 LYS NZ :NH3+ 162:sc= -0.101 (180deg=-0.545) USER MOD Single : A 38 ASN : amide:sc= -5.79! C(o=-5.8!,f=-4.1!) USER MOD Single : A 42 GLN : amide:sc= -5.25! C(o=-5.3!,f=-3.8!) USER MOD Single : A 43 LYS NZ :NH3+ 137:sc= -0.15 (180deg=-0.332) USER MOD Single : A 46 THR OG1 : rot 16:sc= 0.297 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot -159:sc= -2.42! USER MOD Single : A 51 THR OG1 : rot 180:sc= -2.44! USER MOD Single : A 52 ASN : amide:sc= -7.7! C(o=-7.7!,f=-3.1!) USER MOD Single : A 55 THR OG1 : rot -90:sc= 0.932 USER MOD Single : A 58 GLN : amide:sc= -0.648 X(o=-0.65,f=-0.22) USER MOD Single : A 72 ASN : amide:sc= -9.52! K(o=-9.5!,f=-3.2) USER MOD Single : A 75 THR OG1 : rot 135:sc= -2.21 USER MOD Single : A 77 SER OG : rot 52:sc= -0.805! USER MOD Single : A 78 GLN : amide:sc= -1.34! K(o=-1.3!,f=-0.051) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= -0.432 K(o=-0.43,f=-1.1) USER MOD Single : A 90 GLN : amide:sc= -9.55! C(o=-9.5!,f=-7!) USER MOD Single : A 91 SER OG : rot 180:sc= -1.94! USER MOD Single : A 97 ASN : amide:sc= -10.4! K(o=-10!,f=-4.3) USER MOD Single : A 98 GLN : amide:sc= -0.218 K(o=-0.22,f=-3!) USER MOD Single : A 102 GLN : amide:sc= -0.943 X(o=-0.94,f=-0.68) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ -151:sc= -3.51! (180deg=-4.62!) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 HIS : no HE2:sc= -2.69 K(o=-2.7,f=-6!) USER MOD Single : A 118 LYS NZ :NH3+ -155:sc= -0.616 (180deg=-2.11!) USER MOD Single : A 123 ASN : amide:sc= -1.07 X(o=-1.1,f=-1.3) USER MOD Single : A 125 GLN : amide:sc= -0.0546 X(o=-0.055,f=0) USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 SER OG : rot 180:sc= 0 USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -22.640 2.731 2.817 1.00 2.96 N ATOM 2 CA MET A 1 -22.161 3.870 1.992 1.00 2.14 C ATOM 3 C MET A 1 -21.344 4.851 2.827 1.00 1.93 C ATOM 4 O MET A 1 -21.879 5.823 3.361 1.00 2.77 O ATOM 5 CB MET A 1 -23.375 4.577 1.387 1.00 2.48 C ATOM 6 CG MET A 1 -24.161 3.710 0.418 1.00 3.11 C ATOM 7 SD MET A 1 -24.974 4.672 -0.871 1.00 3.62 S ATOM 8 CE MET A 1 -24.322 3.886 -2.344 1.00 4.70 C ATOM 0 H1 MET A 1 -23.059 2.007 2.199 1.00 2.96 H new ATOM 0 H2 MET A 1 -21.840 2.320 3.339 1.00 2.96 H new ATOM 0 H3 MET A 1 -23.357 3.068 3.491 1.00 2.96 H new ATOM 0 HA MET A 1 -21.512 3.492 1.202 1.00 2.14 H new ATOM 0 HB2 MET A 1 -24.036 4.900 2.192 1.00 2.48 H new ATOM 0 HB3 MET A 1 -23.041 5.476 0.869 1.00 2.48 H new ATOM 0 HG2 MET A 1 -23.489 2.986 -0.043 1.00 3.11 H new ATOM 0 HG3 MET A 1 -24.910 3.143 0.970 1.00 3.11 H new ATOM 0 HE1 MET A 1 -24.734 4.372 -3.228 1.00 4.70 H new ATOM 0 HE2 MET A 1 -23.236 3.975 -2.354 1.00 4.70 H new ATOM 0 HE3 MET A 1 -24.599 2.832 -2.347 1.00 4.70 H new ATOM 20 N ASN A 2 -20.045 4.589 2.934 1.00 1.14 N ATOM 21 CA ASN A 2 -19.152 5.449 3.701 1.00 0.94 C ATOM 22 C ASN A 2 -18.887 6.754 2.955 1.00 1.05 C ATOM 23 O ASN A 2 -19.722 7.211 2.173 1.00 1.69 O ATOM 24 CB ASN A 2 -17.835 4.720 3.994 1.00 0.90 C ATOM 25 CG ASN A 2 -17.209 5.157 5.304 1.00 1.88 C ATOM 26 OD1 ASN A 2 -17.652 4.760 6.381 1.00 2.37 O ATOM 27 ND2 ASN A 2 -16.173 5.983 5.217 1.00 2.64 N ATOM 0 H ASN A 2 -19.588 3.788 2.499 1.00 1.14 H new ATOM 0 HA ASN A 2 -19.635 5.691 4.648 1.00 0.94 H new ATOM 0 HB2 ASN A 2 -18.017 3.646 4.022 1.00 0.90 H new ATOM 0 HB3 ASN A 2 -17.133 4.903 3.180 1.00 0.90 H new ATOM 0 HD21 ASN A 2 -15.712 6.313 6.065 1.00 2.64 H new ATOM 0 HD22 ASN A 2 -15.839 6.287 4.303 1.00 2.64 H new ATOM 34 N GLU A 3 -17.729 7.352 3.205 1.00 0.79 N ATOM 35 CA GLU A 3 -17.361 8.606 2.565 1.00 0.82 C ATOM 36 C GLU A 3 -17.353 8.478 1.046 1.00 0.82 C ATOM 37 O GLU A 3 -18.181 9.080 0.362 1.00 1.02 O ATOM 38 CB GLU A 3 -15.988 9.063 3.055 1.00 0.78 C ATOM 39 CG GLU A 3 -15.889 10.560 3.280 1.00 0.87 C ATOM 40 CD GLU A 3 -14.794 11.203 2.451 1.00 1.96 C ATOM 41 OE1 GLU A 3 -14.807 11.027 1.214 1.00 2.50 O ATOM 42 OE2 GLU A 3 -13.927 11.884 3.037 1.00 2.72 O ATOM 0 H GLU A 3 -17.027 6.986 3.849 1.00 0.79 H new ATOM 0 HA GLU A 3 -18.110 9.350 2.836 1.00 0.82 H new ATOM 0 HB2 GLU A 3 -15.755 8.548 3.987 1.00 0.78 H new ATOM 0 HB3 GLU A 3 -15.234 8.763 2.327 1.00 0.78 H new ATOM 0 HG2 GLU A 3 -16.844 11.024 3.036 1.00 0.87 H new ATOM 0 HG3 GLU A 3 -15.701 10.753 4.336 1.00 0.87 H new ATOM 49 N LEU A 4 -16.406 7.705 0.519 1.00 0.65 N ATOM 50 CA LEU A 4 -16.290 7.525 -0.921 1.00 0.69 C ATOM 51 C LEU A 4 -15.993 6.070 -1.285 1.00 0.69 C ATOM 52 O LEU A 4 -15.502 5.791 -2.378 1.00 0.91 O ATOM 53 CB LEU A 4 -15.182 8.433 -1.453 1.00 0.65 C ATOM 54 CG LEU A 4 -15.643 9.553 -2.389 1.00 0.81 C ATOM 55 CD1 LEU A 4 -14.517 10.549 -2.619 1.00 1.51 C ATOM 56 CD2 LEU A 4 -16.129 8.980 -3.711 1.00 1.29 C ATOM 0 H LEU A 4 -15.712 7.197 1.067 1.00 0.65 H new ATOM 0 HA LEU A 4 -17.243 7.790 -1.378 1.00 0.69 H new ATOM 0 HB2 LEU A 4 -14.665 8.881 -0.605 1.00 0.65 H new ATOM 0 HB3 LEU A 4 -14.454 7.818 -1.981 1.00 0.65 H new ATOM 0 HG LEU A 4 -16.475 10.076 -1.917 1.00 0.81 H new ATOM 0 HD11 LEU A 4 -14.861 11.339 -3.287 1.00 1.51 H new ATOM 0 HD12 LEU A 4 -14.216 10.984 -1.666 1.00 1.51 H new ATOM 0 HD13 LEU A 4 -13.666 10.038 -3.069 1.00 1.51 H new ATOM 0 HD21 LEU A 4 -16.452 9.792 -4.362 1.00 1.29 H new ATOM 0 HD22 LEU A 4 -15.318 8.432 -4.190 1.00 1.29 H new ATOM 0 HD23 LEU A 4 -16.966 8.305 -3.530 1.00 1.29 H new ATOM 68 N TYR A 5 -16.299 5.153 -0.365 1.00 0.60 N ATOM 69 CA TYR A 5 -16.077 3.729 -0.560 1.00 0.61 C ATOM 70 C TYR A 5 -16.252 3.014 0.773 1.00 0.58 C ATOM 71 O TYR A 5 -16.174 3.635 1.831 1.00 0.63 O ATOM 72 CB TYR A 5 -14.681 3.450 -1.135 1.00 0.60 C ATOM 73 CG TYR A 5 -13.548 3.988 -0.292 1.00 0.47 C ATOM 74 CD1 TYR A 5 -13.049 3.264 0.783 1.00 0.50 C ATOM 75 CD2 TYR A 5 -12.982 5.221 -0.573 1.00 0.43 C ATOM 76 CE1 TYR A 5 -12.011 3.757 1.555 1.00 0.48 C ATOM 77 CE2 TYR A 5 -11.945 5.720 0.192 1.00 0.34 C ATOM 78 CZ TYR A 5 -11.465 4.970 1.265 1.00 0.36 C ATOM 79 OH TYR A 5 -10.435 5.484 2.019 1.00 0.40 O ATOM 0 H TYR A 5 -16.710 5.384 0.539 1.00 0.60 H new ATOM 0 HA TYR A 5 -16.805 3.357 -1.281 1.00 0.61 H new ATOM 0 HB2 TYR A 5 -14.555 2.373 -1.249 1.00 0.60 H new ATOM 0 HB3 TYR A 5 -14.617 3.886 -2.132 1.00 0.60 H new ATOM 0 HD1 TYR A 5 -13.477 2.301 1.020 1.00 0.50 H new ATOM 0 HD2 TYR A 5 -13.357 5.801 -1.403 1.00 0.43 H new ATOM 0 HE1 TYR A 5 -11.635 3.180 2.387 1.00 0.48 H new ATOM 0 HE2 TYR A 5 -11.511 6.681 -0.039 1.00 0.34 H new ATOM 0 HH TYR A 5 -9.620 4.964 1.857 1.00 0.40 H new ATOM 89 N GLN A 6 -16.504 1.719 0.717 1.00 0.62 N ATOM 90 CA GLN A 6 -16.712 0.928 1.922 1.00 0.63 C ATOM 91 C GLN A 6 -15.490 0.954 2.833 1.00 0.59 C ATOM 92 O GLN A 6 -14.452 0.372 2.517 1.00 0.64 O ATOM 93 CB GLN A 6 -17.074 -0.506 1.552 1.00 0.78 C ATOM 94 CG GLN A 6 -18.435 -0.603 0.884 1.00 1.57 C ATOM 95 CD GLN A 6 -18.350 -0.627 -0.632 1.00 1.64 C ATOM 96 OE1 GLN A 6 -19.276 -1.071 -1.311 1.00 2.13 O ATOM 97 NE2 GLN A 6 -17.233 -0.149 -1.170 1.00 1.48 N ATOM 0 H GLN A 6 -16.570 1.189 -0.152 1.00 0.62 H new ATOM 0 HA GLN A 6 -17.539 1.373 2.475 1.00 0.63 H new ATOM 0 HB2 GLN A 6 -16.314 -0.909 0.883 1.00 0.78 H new ATOM 0 HB3 GLN A 6 -17.068 -1.123 2.450 1.00 0.78 H new ATOM 0 HG2 GLN A 6 -18.940 -1.506 1.229 1.00 1.57 H new ATOM 0 HG3 GLN A 6 -19.048 0.243 1.195 1.00 1.57 H new ATOM 0 HE21 GLN A 6 -16.490 0.209 -0.570 1.00 1.48 H new ATOM 0 HE22 GLN A 6 -17.118 -0.140 -2.183 1.00 1.48 H new ATOM 106 N LEU A 7 -15.629 1.634 3.971 1.00 0.61 N ATOM 107 CA LEU A 7 -14.545 1.740 4.941 1.00 0.62 C ATOM 108 C LEU A 7 -14.263 0.387 5.585 1.00 0.65 C ATOM 109 O LEU A 7 -15.130 -0.196 6.236 1.00 0.72 O ATOM 110 CB LEU A 7 -14.890 2.771 6.020 1.00 0.67 C ATOM 111 CG LEU A 7 -13.789 3.793 6.331 1.00 0.84 C ATOM 112 CD1 LEU A 7 -14.190 4.663 7.512 1.00 1.39 C ATOM 113 CD2 LEU A 7 -12.468 3.092 6.612 1.00 1.14 C ATOM 0 H LEU A 7 -16.484 2.120 4.242 1.00 0.61 H new ATOM 0 HA LEU A 7 -13.649 2.068 4.413 1.00 0.62 H new ATOM 0 HB2 LEU A 7 -15.785 3.310 5.710 1.00 0.67 H new ATOM 0 HB3 LEU A 7 -15.139 2.240 6.939 1.00 0.67 H new ATOM 0 HG LEU A 7 -13.659 4.432 5.458 1.00 0.84 H new ATOM 0 HD11 LEU A 7 -13.398 5.383 7.719 1.00 1.39 H new ATOM 0 HD12 LEU A 7 -15.111 5.196 7.275 1.00 1.39 H new ATOM 0 HD13 LEU A 7 -14.349 4.035 8.389 1.00 1.39 H new ATOM 0 HD21 LEU A 7 -11.701 3.835 6.830 1.00 1.14 H new ATOM 0 HD22 LEU A 7 -12.584 2.428 7.468 1.00 1.14 H new ATOM 0 HD23 LEU A 7 -12.172 2.510 5.739 1.00 1.14 H new ATOM 125 N GLU A 8 -13.047 -0.103 5.392 1.00 0.63 N ATOM 126 CA GLU A 8 -12.634 -1.387 5.943 1.00 0.66 C ATOM 127 C GLU A 8 -11.116 -1.462 6.044 1.00 0.77 C ATOM 128 O GLU A 8 -10.493 -2.392 5.535 1.00 1.39 O ATOM 129 CB GLU A 8 -13.157 -2.522 5.075 1.00 0.71 C ATOM 130 CG GLU A 8 -12.911 -3.893 5.676 1.00 1.04 C ATOM 131 CD GLU A 8 -13.966 -4.287 6.692 1.00 2.09 C ATOM 132 OE1 GLU A 8 -15.169 -4.142 6.387 1.00 2.54 O ATOM 133 OE2 GLU A 8 -13.589 -4.739 7.794 1.00 2.77 O ATOM 0 H GLU A 8 -12.323 0.373 4.854 1.00 0.63 H new ATOM 0 HA GLU A 8 -13.053 -1.485 6.944 1.00 0.66 H new ATOM 0 HB2 GLU A 8 -14.227 -2.388 4.918 1.00 0.71 H new ATOM 0 HB3 GLU A 8 -12.682 -2.471 4.095 1.00 0.71 H new ATOM 0 HG2 GLU A 8 -12.886 -4.635 4.878 1.00 1.04 H new ATOM 0 HG3 GLU A 8 -11.931 -3.905 6.153 1.00 1.04 H new ATOM 140 N LYS A 9 -10.526 -0.478 6.709 1.00 0.59 N ATOM 141 CA LYS A 9 -9.081 -0.435 6.884 1.00 0.58 C ATOM 142 C LYS A 9 -8.676 -1.274 8.089 1.00 0.56 C ATOM 143 O LYS A 9 -7.571 -1.146 8.619 1.00 0.81 O ATOM 144 CB LYS A 9 -8.611 1.007 7.035 1.00 0.73 C ATOM 145 CG LYS A 9 -9.105 1.952 5.938 1.00 0.87 C ATOM 146 CD LYS A 9 -9.352 1.258 4.598 1.00 1.08 C ATOM 147 CE LYS A 9 -10.678 1.681 3.982 1.00 0.77 C ATOM 148 NZ LYS A 9 -10.982 0.909 2.745 1.00 1.54 N ATOM 0 H LYS A 9 -11.026 0.301 7.136 1.00 0.59 H new ATOM 0 HA LYS A 9 -8.601 -0.855 6.000 1.00 0.58 H new ATOM 0 HB2 LYS A 9 -8.945 1.386 8.001 1.00 0.73 H new ATOM 0 HB3 LYS A 9 -7.521 1.022 7.046 1.00 0.73 H new ATOM 0 HG2 LYS A 9 -10.029 2.426 6.268 1.00 0.87 H new ATOM 0 HG3 LYS A 9 -8.372 2.746 5.797 1.00 0.87 H new ATOM 0 HD2 LYS A 9 -8.540 1.494 3.911 1.00 1.08 H new ATOM 0 HD3 LYS A 9 -9.345 0.177 4.741 1.00 1.08 H new ATOM 0 HE2 LYS A 9 -11.479 1.536 4.707 1.00 0.77 H new ATOM 0 HE3 LYS A 9 -10.648 2.745 3.749 1.00 0.77 H new ATOM 0 HZ1 LYS A 9 -11.381 1.547 2.027 1.00 1.54 H new ATOM 0 HZ2 LYS A 9 -10.108 0.481 2.379 1.00 1.54 H new ATOM 0 HZ3 LYS A 9 -11.669 0.160 2.963 1.00 1.54 H new ATOM 162 N GLU A 10 -9.592 -2.144 8.497 1.00 0.60 N ATOM 163 CA GLU A 10 -9.385 -3.044 9.623 1.00 0.56 C ATOM 164 C GLU A 10 -9.740 -4.467 9.194 1.00 0.84 C ATOM 165 O GLU A 10 -10.270 -4.662 8.100 1.00 1.40 O ATOM 166 CB GLU A 10 -10.252 -2.608 10.807 1.00 0.88 C ATOM 167 CG GLU A 10 -11.385 -1.680 10.413 1.00 1.68 C ATOM 168 CD GLU A 10 -12.510 -1.662 11.430 1.00 2.35 C ATOM 169 OE1 GLU A 10 -12.243 -1.946 12.616 1.00 2.80 O ATOM 170 OE2 GLU A 10 -13.658 -1.363 11.040 1.00 2.78 O ATOM 0 H GLU A 10 -10.505 -2.245 8.053 1.00 0.60 H new ATOM 0 HA GLU A 10 -8.341 -3.012 9.934 1.00 0.56 H new ATOM 0 HB2 GLU A 10 -10.668 -3.493 11.289 1.00 0.88 H new ATOM 0 HB3 GLU A 10 -9.623 -2.109 11.544 1.00 0.88 H new ATOM 0 HG2 GLU A 10 -10.995 -0.669 10.291 1.00 1.68 H new ATOM 0 HG3 GLU A 10 -11.781 -1.988 9.445 1.00 1.68 H new ATOM 177 N PRO A 11 -9.466 -5.485 10.034 1.00 1.07 N ATOM 178 CA PRO A 11 -9.775 -6.879 9.714 1.00 1.42 C ATOM 179 C PRO A 11 -11.144 -7.031 9.080 1.00 0.83 C ATOM 180 O PRO A 11 -12.163 -6.713 9.692 1.00 0.59 O ATOM 181 CB PRO A 11 -9.754 -7.581 11.077 1.00 2.13 C ATOM 182 CG PRO A 11 -9.572 -6.486 12.079 1.00 2.29 C ATOM 183 CD PRO A 11 -8.854 -5.389 11.356 1.00 1.67 C ATOM 0 HA PRO A 11 -9.067 -7.291 8.994 1.00 1.42 H new ATOM 0 HB2 PRO A 11 -10.681 -8.126 11.253 1.00 2.13 H new ATOM 0 HB3 PRO A 11 -8.942 -8.306 11.134 1.00 2.13 H new ATOM 0 HG2 PRO A 11 -10.533 -6.140 12.460 1.00 2.29 H new ATOM 0 HG3 PRO A 11 -8.995 -6.832 12.937 1.00 2.29 H new ATOM 0 HD2 PRO A 11 -9.017 -4.415 11.817 1.00 1.67 H new ATOM 0 HD3 PRO A 11 -7.777 -5.551 11.325 1.00 1.67 H new ATOM 191 N ILE A 12 -11.160 -7.519 7.853 1.00 0.86 N ATOM 192 CA ILE A 12 -12.405 -7.713 7.138 1.00 0.54 C ATOM 193 C ILE A 12 -12.986 -9.090 7.441 1.00 0.79 C ATOM 194 O ILE A 12 -12.246 -10.043 7.686 1.00 1.12 O ATOM 195 CB ILE A 12 -12.207 -7.573 5.622 1.00 0.51 C ATOM 196 CG1 ILE A 12 -11.143 -6.510 5.331 1.00 0.66 C ATOM 197 CG2 ILE A 12 -13.529 -7.218 4.957 1.00 0.49 C ATOM 198 CD1 ILE A 12 -10.989 -6.182 3.863 1.00 0.53 C ATOM 0 H ILE A 12 -10.325 -7.788 7.332 1.00 0.86 H new ATOM 0 HA ILE A 12 -13.097 -6.941 7.474 1.00 0.54 H new ATOM 0 HB ILE A 12 -11.863 -8.523 5.212 1.00 0.51 H new ATOM 0 HG12 ILE A 12 -11.397 -5.598 5.872 1.00 0.66 H new ATOM 0 HG13 ILE A 12 -10.184 -6.854 5.719 1.00 0.66 H new ATOM 0 HG21 ILE A 12 -13.381 -7.120 3.882 1.00 0.49 H new ATOM 0 HG22 ILE A 12 -14.258 -8.005 5.153 1.00 0.49 H new ATOM 0 HG23 ILE A 12 -13.897 -6.274 5.360 1.00 0.49 H new ATOM 0 HD11 ILE A 12 -10.218 -5.422 3.739 1.00 0.53 H new ATOM 0 HD12 ILE A 12 -10.703 -7.081 3.317 1.00 0.53 H new ATOM 0 HD13 ILE A 12 -11.935 -5.806 3.473 1.00 0.53 H new ATOM 210 N VAL A 13 -14.309 -9.181 7.436 1.00 1.03 N ATOM 211 CA VAL A 13 -15.003 -10.435 7.720 1.00 1.51 C ATOM 212 C VAL A 13 -14.388 -11.623 6.971 1.00 1.29 C ATOM 213 O VAL A 13 -14.136 -12.669 7.569 1.00 1.43 O ATOM 214 CB VAL A 13 -16.505 -10.335 7.377 1.00 2.06 C ATOM 215 CG1 VAL A 13 -16.705 -9.913 5.929 1.00 2.23 C ATOM 216 CG2 VAL A 13 -17.211 -11.654 7.658 1.00 3.06 C ATOM 0 H VAL A 13 -14.929 -8.396 7.237 1.00 1.03 H new ATOM 0 HA VAL A 13 -14.889 -10.610 8.790 1.00 1.51 H new ATOM 0 HB VAL A 13 -16.947 -9.570 8.015 1.00 2.06 H new ATOM 0 HG11 VAL A 13 -17.771 -9.850 5.712 1.00 2.23 H new ATOM 0 HG12 VAL A 13 -16.243 -8.939 5.767 1.00 2.23 H new ATOM 0 HG13 VAL A 13 -16.244 -10.647 5.269 1.00 2.23 H new ATOM 0 HG21 VAL A 13 -18.268 -11.561 7.409 1.00 3.06 H new ATOM 0 HG22 VAL A 13 -16.764 -12.442 7.053 1.00 3.06 H new ATOM 0 HG23 VAL A 13 -17.107 -11.904 8.714 1.00 3.06 H new ATOM 226 N GLY A 14 -14.152 -11.468 5.668 1.00 0.97 N ATOM 227 CA GLY A 14 -13.576 -12.559 4.896 1.00 0.77 C ATOM 228 C GLY A 14 -13.110 -12.151 3.508 1.00 0.71 C ATOM 229 O GLY A 14 -13.541 -12.729 2.510 1.00 1.03 O ATOM 0 H GLY A 14 -14.346 -10.618 5.139 1.00 0.97 H new ATOM 0 HA2 GLY A 14 -12.731 -12.973 5.445 1.00 0.77 H new ATOM 0 HA3 GLY A 14 -14.315 -13.354 4.801 1.00 0.77 H new ATOM 233 N ALA A 15 -12.217 -11.169 3.445 1.00 0.38 N ATOM 234 CA ALA A 15 -11.677 -10.696 2.173 1.00 0.34 C ATOM 235 C ALA A 15 -10.417 -11.472 1.790 1.00 0.32 C ATOM 236 O ALA A 15 -9.783 -12.098 2.639 1.00 0.36 O ATOM 237 CB ALA A 15 -11.361 -9.216 2.270 1.00 0.39 C ATOM 0 H ALA A 15 -11.850 -10.683 4.263 1.00 0.38 H new ATOM 0 HA ALA A 15 -12.427 -10.859 1.399 1.00 0.34 H new ATOM 0 HB1 ALA A 15 -10.958 -8.867 1.319 1.00 0.39 H new ATOM 0 HB2 ALA A 15 -12.272 -8.664 2.503 1.00 0.39 H new ATOM 0 HB3 ALA A 15 -10.626 -9.052 3.058 1.00 0.39 H new ATOM 243 N GLU A 16 -10.051 -11.414 0.510 1.00 0.33 N ATOM 244 CA GLU A 16 -8.853 -12.099 0.021 1.00 0.39 C ATOM 245 C GLU A 16 -7.606 -11.317 0.430 1.00 0.31 C ATOM 246 O GLU A 16 -7.630 -10.095 0.445 1.00 0.33 O ATOM 247 CB GLU A 16 -8.915 -12.239 -1.499 1.00 0.56 C ATOM 248 CG GLU A 16 -7.987 -13.306 -2.049 1.00 0.84 C ATOM 249 CD GLU A 16 -8.428 -13.814 -3.408 1.00 1.22 C ATOM 250 OE1 GLU A 16 -8.219 -13.094 -4.407 1.00 1.43 O ATOM 251 OE2 GLU A 16 -8.980 -14.932 -3.474 1.00 2.01 O ATOM 0 H GLU A 16 -10.565 -10.901 -0.206 1.00 0.33 H new ATOM 0 HA GLU A 16 -8.805 -13.095 0.462 1.00 0.39 H new ATOM 0 HB2 GLU A 16 -9.938 -12.473 -1.793 1.00 0.56 H new ATOM 0 HB3 GLU A 16 -8.664 -11.281 -1.954 1.00 0.56 H new ATOM 0 HG2 GLU A 16 -6.978 -12.901 -2.126 1.00 0.84 H new ATOM 0 HG3 GLU A 16 -7.943 -14.141 -1.349 1.00 0.84 H new ATOM 258 N THR A 17 -6.526 -12.012 0.783 1.00 0.37 N ATOM 259 CA THR A 17 -5.302 -11.328 1.218 1.00 0.32 C ATOM 260 C THR A 17 -4.450 -10.835 0.060 1.00 0.26 C ATOM 261 O THR A 17 -4.304 -11.493 -0.982 1.00 0.29 O ATOM 262 CB THR A 17 -4.442 -12.193 2.163 1.00 0.41 C ATOM 263 OG1 THR A 17 -3.240 -12.601 1.501 1.00 0.54 O ATOM 264 CG2 THR A 17 -5.207 -13.419 2.641 1.00 0.51 C ATOM 0 H THR A 17 -6.469 -13.030 0.778 1.00 0.37 H new ATOM 0 HA THR A 17 -5.654 -10.457 1.771 1.00 0.32 H new ATOM 0 HB THR A 17 -4.190 -11.587 3.033 1.00 0.41 H new ATOM 0 HG1 THR A 17 -2.701 -13.148 2.110 1.00 0.54 H new ATOM 0 HG21 THR A 17 -4.573 -14.007 3.305 1.00 0.51 H new ATOM 0 HG22 THR A 17 -6.101 -13.103 3.178 1.00 0.51 H new ATOM 0 HG23 THR A 17 -5.495 -14.026 1.782 1.00 0.51 H new ATOM 272 N PHE A 18 -3.909 -9.637 0.266 1.00 0.27 N ATOM 273 CA PHE A 18 -3.091 -8.971 -0.721 1.00 0.25 C ATOM 274 C PHE A 18 -1.943 -8.205 -0.069 1.00 0.29 C ATOM 275 O PHE A 18 -2.144 -7.134 0.504 1.00 0.59 O ATOM 276 CB PHE A 18 -3.984 -8.009 -1.500 1.00 0.32 C ATOM 277 CG PHE A 18 -4.528 -8.567 -2.782 1.00 0.24 C ATOM 278 CD1 PHE A 18 -5.560 -9.487 -2.773 1.00 0.24 C ATOM 279 CD2 PHE A 18 -3.988 -8.182 -3.997 1.00 0.38 C ATOM 280 CE1 PHE A 18 -6.045 -10.015 -3.955 1.00 0.35 C ATOM 281 CE2 PHE A 18 -4.469 -8.701 -5.183 1.00 0.46 C ATOM 282 CZ PHE A 18 -5.573 -9.582 -5.147 1.00 0.41 C ATOM 0 H PHE A 18 -4.031 -9.106 1.128 1.00 0.27 H new ATOM 0 HA PHE A 18 -2.649 -9.714 -1.385 1.00 0.25 H new ATOM 0 HB2 PHE A 18 -4.818 -7.712 -0.865 1.00 0.32 H new ATOM 0 HB3 PHE A 18 -3.416 -7.106 -1.723 1.00 0.32 H new ATOM 0 HD1 PHE A 18 -5.992 -9.796 -1.833 1.00 0.24 H new ATOM 0 HD2 PHE A 18 -3.180 -7.466 -4.018 1.00 0.38 H new ATOM 0 HE1 PHE A 18 -6.807 -10.780 -3.927 1.00 0.35 H new ATOM 0 HE2 PHE A 18 -4.008 -8.437 -6.124 1.00 0.46 H new ATOM 0 HZ PHE A 18 -6.038 -9.908 -6.066 1.00 0.41 H new ATOM 292 N TYR A 19 -0.737 -8.756 -0.174 1.00 0.25 N ATOM 293 CA TYR A 19 0.449 -8.120 0.391 1.00 0.28 C ATOM 294 C TYR A 19 0.717 -6.801 -0.305 1.00 0.22 C ATOM 295 O TYR A 19 0.395 -6.642 -1.480 1.00 0.22 O ATOM 296 CB TYR A 19 1.662 -9.038 0.236 1.00 0.41 C ATOM 297 CG TYR A 19 3.009 -8.329 0.223 1.00 1.21 C ATOM 298 CD1 TYR A 19 3.419 -7.622 -0.895 1.00 1.64 C ATOM 299 CD2 TYR A 19 3.852 -8.334 1.336 1.00 1.92 C ATOM 300 CE1 TYR A 19 4.620 -6.939 -0.914 1.00 2.74 C ATOM 301 CE2 TYR A 19 5.059 -7.658 1.319 1.00 3.01 C ATOM 302 CZ TYR A 19 5.511 -7.105 0.207 1.00 3.40 C ATOM 303 OH TYR A 19 6.630 -6.278 0.180 1.00 4.52 O ATOM 0 H TYR A 19 -0.555 -9.642 -0.645 1.00 0.25 H new ATOM 0 HA TYR A 19 0.273 -7.935 1.451 1.00 0.28 H new ATOM 0 HB2 TYR A 19 1.657 -9.762 1.051 1.00 0.41 H new ATOM 0 HB3 TYR A 19 1.556 -9.601 -0.691 1.00 0.41 H new ATOM 0 HD1 TYR A 19 2.787 -7.604 -1.770 1.00 1.64 H new ATOM 0 HD2 TYR A 19 3.557 -8.874 2.224 1.00 1.92 H new ATOM 0 HE1 TYR A 19 4.883 -6.300 -1.744 1.00 2.74 H new ATOM 0 HE2 TYR A 19 5.640 -7.581 2.226 1.00 3.01 H new ATOM 0 HH TYR A 19 6.493 -5.563 -0.476 1.00 4.52 H new ATOM 313 N VAL A 20 1.332 -5.869 0.415 1.00 0.22 N ATOM 314 CA VAL A 20 1.667 -4.575 -0.148 1.00 0.22 C ATOM 315 C VAL A 20 2.834 -3.944 0.589 1.00 0.23 C ATOM 316 O VAL A 20 2.728 -3.604 1.766 1.00 0.26 O ATOM 317 CB VAL A 20 0.479 -3.601 -0.122 1.00 0.32 C ATOM 318 CG1 VAL A 20 0.249 -3.044 -1.506 1.00 0.87 C ATOM 319 CG2 VAL A 20 -0.781 -4.272 0.406 1.00 0.93 C ATOM 0 H VAL A 20 1.607 -5.990 1.390 1.00 0.22 H new ATOM 0 HA VAL A 20 1.941 -4.759 -1.187 1.00 0.22 H new ATOM 0 HB VAL A 20 0.719 -2.783 0.558 1.00 0.32 H new ATOM 0 HG11 VAL A 20 -0.594 -2.354 -1.485 1.00 0.87 H new ATOM 0 HG12 VAL A 20 1.142 -2.516 -1.839 1.00 0.87 H new ATOM 0 HG13 VAL A 20 0.032 -3.860 -2.195 1.00 0.87 H new ATOM 0 HG21 VAL A 20 -1.601 -3.554 0.411 1.00 0.93 H new ATOM 0 HG22 VAL A 20 -1.040 -5.115 -0.235 1.00 0.93 H new ATOM 0 HG23 VAL A 20 -0.605 -4.629 1.421 1.00 0.93 H new ATOM 329 N ASP A 21 3.947 -3.785 -0.115 1.00 0.22 N ATOM 330 CA ASP A 21 5.137 -3.185 0.467 1.00 0.25 C ATOM 331 C ASP A 21 6.222 -2.990 -0.591 1.00 0.23 C ATOM 332 O ASP A 21 6.406 -3.825 -1.481 1.00 0.25 O ATOM 333 CB ASP A 21 5.667 -4.050 1.621 1.00 0.28 C ATOM 334 CG ASP A 21 7.087 -3.690 2.015 1.00 0.30 C ATOM 335 OD1 ASP A 21 8.030 -4.254 1.422 1.00 0.38 O ATOM 336 OD2 ASP A 21 7.255 -2.841 2.916 1.00 0.37 O ATOM 0 H ASP A 21 4.049 -4.064 -1.091 1.00 0.22 H new ATOM 0 HA ASP A 21 4.864 -2.206 0.861 1.00 0.25 H new ATOM 0 HB2 ASP A 21 5.014 -3.935 2.486 1.00 0.28 H new ATOM 0 HB3 ASP A 21 5.630 -5.100 1.330 1.00 0.28 H new ATOM 341 N GLY A 22 6.936 -1.877 -0.492 1.00 0.22 N ATOM 342 CA GLY A 22 7.995 -1.586 -1.434 1.00 0.24 C ATOM 343 C GLY A 22 9.182 -0.930 -0.763 1.00 0.35 C ATOM 344 O GLY A 22 9.022 -0.200 0.214 1.00 0.42 O ATOM 0 H GLY A 22 6.799 -1.168 0.228 1.00 0.22 H new ATOM 0 HA2 GLY A 22 8.315 -2.509 -1.917 1.00 0.24 H new ATOM 0 HA3 GLY A 22 7.614 -0.932 -2.218 1.00 0.24 H new ATOM 348 N ALA A 23 10.376 -1.182 -1.286 1.00 0.39 N ATOM 349 CA ALA A 23 11.580 -0.595 -0.720 1.00 0.49 C ATOM 350 C ALA A 23 12.190 0.407 -1.678 1.00 0.50 C ATOM 351 O ALA A 23 12.702 0.046 -2.736 1.00 0.49 O ATOM 352 CB ALA A 23 12.587 -1.686 -0.376 1.00 0.57 C ATOM 0 H ALA A 23 10.534 -1.784 -2.094 1.00 0.39 H new ATOM 0 HA ALA A 23 11.309 -0.068 0.195 1.00 0.49 H new ATOM 0 HB1 ALA A 23 13.484 -1.233 0.047 1.00 0.57 H new ATOM 0 HB2 ALA A 23 12.149 -2.370 0.351 1.00 0.57 H new ATOM 0 HB3 ALA A 23 12.850 -2.236 -1.279 1.00 0.57 H new ATOM 358 N ALA A 24 12.133 1.668 -1.285 1.00 0.53 N ATOM 359 CA ALA A 24 12.671 2.753 -2.074 1.00 0.55 C ATOM 360 C ALA A 24 13.375 3.750 -1.171 1.00 0.64 C ATOM 361 O ALA A 24 12.781 4.273 -0.227 1.00 0.80 O ATOM 362 CB ALA A 24 11.560 3.432 -2.851 1.00 0.49 C ATOM 0 H ALA A 24 11.710 1.965 -0.406 1.00 0.53 H new ATOM 0 HA ALA A 24 13.395 2.353 -2.784 1.00 0.55 H new ATOM 0 HB1 ALA A 24 11.976 4.248 -3.442 1.00 0.49 H new ATOM 0 HB2 ALA A 24 11.085 2.709 -3.514 1.00 0.49 H new ATOM 0 HB3 ALA A 24 10.819 3.828 -2.156 1.00 0.49 H new ATOM 368 N ASN A 25 14.643 3.996 -1.455 1.00 0.61 N ATOM 369 CA ASN A 25 15.433 4.920 -0.659 1.00 0.69 C ATOM 370 C ASN A 25 14.730 6.269 -0.527 1.00 0.69 C ATOM 371 O ASN A 25 14.531 6.976 -1.515 1.00 0.69 O ATOM 372 CB ASN A 25 16.811 5.109 -1.290 1.00 0.77 C ATOM 373 CG ASN A 25 17.883 5.430 -0.267 1.00 0.68 C ATOM 374 OD1 ASN A 25 19.008 4.937 -0.354 1.00 0.67 O ATOM 375 ND2 ASN A 25 17.541 6.258 0.713 1.00 1.09 N ATOM 0 H ASN A 25 15.148 3.568 -2.231 1.00 0.61 H new ATOM 0 HA ASN A 25 15.549 4.496 0.339 1.00 0.69 H new ATOM 0 HB2 ASN A 25 17.087 4.202 -1.828 1.00 0.77 H new ATOM 0 HB3 ASN A 25 16.763 5.913 -2.024 1.00 0.77 H new ATOM 0 HD21 ASN A 25 18.222 6.508 1.431 1.00 1.09 H new ATOM 0 HD22 ASN A 25 16.598 6.645 0.748 1.00 1.09 H new ATOM 382 N ARG A 26 14.355 6.617 0.700 1.00 0.73 N ATOM 383 CA ARG A 26 13.674 7.879 0.963 1.00 0.77 C ATOM 384 C ARG A 26 14.606 9.064 0.728 1.00 0.82 C ATOM 385 O ARG A 26 14.162 10.145 0.338 1.00 0.79 O ATOM 386 CB ARG A 26 13.151 7.907 2.398 1.00 0.87 C ATOM 387 CG ARG A 26 12.418 9.188 2.746 1.00 0.94 C ATOM 388 CD ARG A 26 11.480 8.994 3.925 1.00 1.30 C ATOM 389 NE ARG A 26 11.128 10.260 4.561 1.00 1.57 N ATOM 390 CZ ARG A 26 11.916 10.900 5.420 1.00 2.15 C ATOM 391 NH1 ARG A 26 13.104 10.399 5.738 1.00 2.86 N ATOM 392 NH2 ARG A 26 11.518 12.042 5.964 1.00 2.52 N ATOM 0 H ARG A 26 14.512 6.042 1.528 1.00 0.73 H new ATOM 0 HA ARG A 26 12.834 7.960 0.273 1.00 0.77 H new ATOM 0 HB2 ARG A 26 12.481 7.061 2.549 1.00 0.87 H new ATOM 0 HB3 ARG A 26 13.988 7.778 3.085 1.00 0.87 H new ATOM 0 HG2 ARG A 26 13.141 9.969 2.981 1.00 0.94 H new ATOM 0 HG3 ARG A 26 11.850 9.529 1.881 1.00 0.94 H new ATOM 0 HD2 ARG A 26 10.572 8.494 3.587 1.00 1.30 H new ATOM 0 HD3 ARG A 26 11.951 8.339 4.658 1.00 1.30 H new ATOM 0 HE ARG A 26 10.226 10.678 4.333 1.00 1.57 H new ATOM 0 HH11 ARG A 26 13.415 9.521 5.323 1.00 2.86 H new ATOM 0 HH12 ARG A 26 13.706 10.893 6.397 1.00 2.86 H new ATOM 0 HH21 ARG A 26 10.606 12.431 5.724 1.00 2.52 H new ATOM 0 HH22 ARG A 26 12.124 12.532 6.623 1.00 2.52 H new ATOM 406 N GLU A 27 15.897 8.852 0.969 1.00 0.93 N ATOM 407 CA GLU A 27 16.897 9.901 0.784 1.00 1.02 C ATOM 408 C GLU A 27 16.779 10.524 -0.603 1.00 0.90 C ATOM 409 O GLU A 27 17.056 11.708 -0.791 1.00 0.94 O ATOM 410 CB GLU A 27 18.302 9.330 0.986 1.00 1.15 C ATOM 411 CG GLU A 27 19.402 10.376 0.909 1.00 1.36 C ATOM 412 CD GLU A 27 20.416 10.074 -0.177 1.00 1.99 C ATOM 413 OE1 GLU A 27 20.052 10.161 -1.370 1.00 2.44 O ATOM 414 OE2 GLU A 27 21.573 9.752 0.164 1.00 2.44 O ATOM 0 H GLU A 27 16.276 7.962 1.293 1.00 0.93 H new ATOM 0 HA GLU A 27 16.719 10.679 1.526 1.00 1.02 H new ATOM 0 HB2 GLU A 27 18.348 8.837 1.957 1.00 1.15 H new ATOM 0 HB3 GLU A 27 18.486 8.565 0.231 1.00 1.15 H new ATOM 0 HG2 GLU A 27 18.957 11.354 0.724 1.00 1.36 H new ATOM 0 HG3 GLU A 27 19.911 10.434 1.871 1.00 1.36 H new ATOM 421 N THR A 28 16.361 9.714 -1.569 1.00 0.79 N ATOM 422 CA THR A 28 16.196 10.172 -2.942 1.00 0.69 C ATOM 423 C THR A 28 14.735 10.100 -3.359 1.00 0.56 C ATOM 424 O THR A 28 14.385 10.440 -4.490 1.00 0.49 O ATOM 425 CB THR A 28 17.033 9.324 -3.924 1.00 0.75 C ATOM 426 OG1 THR A 28 16.556 9.500 -5.263 1.00 1.41 O ATOM 427 CG2 THR A 28 16.973 7.850 -3.552 1.00 1.35 C ATOM 0 H THR A 28 16.129 8.731 -1.424 1.00 0.79 H new ATOM 0 HA THR A 28 16.542 11.205 -2.979 1.00 0.69 H new ATOM 0 HB THR A 28 18.068 9.660 -3.862 1.00 0.75 H new ATOM 0 HG1 THR A 28 15.992 10.300 -5.307 1.00 1.41 H new ATOM 0 HG21 THR A 28 17.570 7.272 -4.258 1.00 1.35 H new ATOM 0 HG22 THR A 28 17.367 7.712 -2.545 1.00 1.35 H new ATOM 0 HG23 THR A 28 15.939 7.508 -3.586 1.00 1.35 H new ATOM 435 N LYS A 29 13.885 9.633 -2.447 1.00 0.54 N ATOM 436 CA LYS A 29 12.466 9.491 -2.741 1.00 0.46 C ATOM 437 C LYS A 29 12.308 8.618 -3.976 1.00 0.37 C ATOM 438 O LYS A 29 11.383 8.789 -4.770 1.00 0.44 O ATOM 439 CB LYS A 29 11.821 10.863 -2.968 1.00 0.51 C ATOM 440 CG LYS A 29 11.660 11.677 -1.696 1.00 0.67 C ATOM 441 CD LYS A 29 12.305 13.047 -1.826 1.00 1.02 C ATOM 442 CE LYS A 29 11.719 14.036 -0.830 1.00 1.39 C ATOM 443 NZ LYS A 29 10.332 14.434 -1.195 1.00 1.56 N ATOM 0 H LYS A 29 14.154 9.349 -1.505 1.00 0.54 H new ATOM 0 HA LYS A 29 11.964 9.024 -1.894 1.00 0.46 H new ATOM 0 HB2 LYS A 29 12.427 11.428 -3.676 1.00 0.51 H new ATOM 0 HB3 LYS A 29 10.842 10.724 -3.427 1.00 0.51 H new ATOM 0 HG2 LYS A 29 10.600 11.793 -1.469 1.00 0.67 H new ATOM 0 HG3 LYS A 29 12.109 11.140 -0.860 1.00 0.67 H new ATOM 0 HD2 LYS A 29 13.380 12.961 -1.665 1.00 1.02 H new ATOM 0 HD3 LYS A 29 12.163 13.422 -2.839 1.00 1.02 H new ATOM 0 HE2 LYS A 29 11.719 13.592 0.166 1.00 1.39 H new ATOM 0 HE3 LYS A 29 12.351 14.923 -0.784 1.00 1.39 H new ATOM 0 HZ1 LYS A 29 10.079 15.310 -0.695 1.00 1.56 H new ATOM 0 HZ2 LYS A 29 10.275 14.592 -2.221 1.00 1.56 H new ATOM 0 HZ3 LYS A 29 9.671 13.678 -0.924 1.00 1.56 H new ATOM 457 N LEU A 30 13.254 7.695 -4.133 1.00 0.43 N ATOM 458 CA LEU A 30 13.277 6.792 -5.275 1.00 0.37 C ATOM 459 C LEU A 30 13.628 5.369 -4.850 1.00 0.38 C ATOM 460 O LEU A 30 14.277 5.157 -3.826 1.00 0.44 O ATOM 461 CB LEU A 30 14.299 7.297 -6.301 1.00 0.42 C ATOM 462 CG LEU A 30 14.361 6.504 -7.607 1.00 0.48 C ATOM 463 CD1 LEU A 30 14.801 7.398 -8.755 1.00 0.52 C ATOM 464 CD2 LEU A 30 15.301 5.316 -7.463 1.00 0.68 C ATOM 0 H LEU A 30 14.021 7.554 -3.475 1.00 0.43 H new ATOM 0 HA LEU A 30 12.282 6.773 -5.720 1.00 0.37 H new ATOM 0 HB2 LEU A 30 14.069 8.336 -6.537 1.00 0.42 H new ATOM 0 HB3 LEU A 30 15.287 7.285 -5.841 1.00 0.42 H new ATOM 0 HG LEU A 30 13.362 6.128 -7.830 1.00 0.48 H new ATOM 0 HD11 LEU A 30 14.839 6.816 -9.676 1.00 0.52 H new ATOM 0 HD12 LEU A 30 14.090 8.216 -8.872 1.00 0.52 H new ATOM 0 HD13 LEU A 30 15.790 7.804 -8.541 1.00 0.52 H new ATOM 0 HD21 LEU A 30 15.334 4.762 -8.401 1.00 0.68 H new ATOM 0 HD22 LEU A 30 16.301 5.671 -7.216 1.00 0.68 H new ATOM 0 HD23 LEU A 30 14.942 4.662 -6.668 1.00 0.68 H new ATOM 476 N GLY A 31 13.205 4.397 -5.656 1.00 0.34 N ATOM 477 CA GLY A 31 13.499 3.008 -5.359 1.00 0.37 C ATOM 478 C GLY A 31 12.484 2.051 -5.948 1.00 0.30 C ATOM 479 O GLY A 31 11.968 2.280 -7.039 1.00 0.27 O ATOM 0 H GLY A 31 12.665 4.548 -6.508 1.00 0.34 H new ATOM 0 HA2 GLY A 31 14.489 2.761 -5.743 1.00 0.37 H new ATOM 0 HA3 GLY A 31 13.534 2.872 -4.278 1.00 0.37 H new ATOM 483 N LYS A 32 12.211 0.968 -5.227 1.00 0.30 N ATOM 484 CA LYS A 32 11.266 -0.048 -5.685 1.00 0.24 C ATOM 485 C LYS A 32 10.027 -0.129 -4.795 1.00 0.19 C ATOM 486 O LYS A 32 10.087 0.135 -3.594 1.00 0.23 O ATOM 487 CB LYS A 32 11.941 -1.418 -5.727 1.00 0.28 C ATOM 488 CG LYS A 32 13.320 -1.404 -6.365 1.00 0.56 C ATOM 489 CD LYS A 32 14.357 -2.067 -5.471 1.00 0.95 C ATOM 490 CE LYS A 32 14.135 -3.569 -5.375 1.00 1.44 C ATOM 491 NZ LYS A 32 14.162 -4.221 -6.713 1.00 2.12 N ATOM 0 H LYS A 32 12.632 0.770 -4.319 1.00 0.30 H new ATOM 0 HA LYS A 32 10.946 0.245 -6.685 1.00 0.24 H new ATOM 0 HB2 LYS A 32 12.025 -1.802 -4.710 1.00 0.28 H new ATOM 0 HB3 LYS A 32 11.303 -2.110 -6.277 1.00 0.28 H new ATOM 0 HG2 LYS A 32 13.283 -1.920 -7.325 1.00 0.56 H new ATOM 0 HG3 LYS A 32 13.618 -0.375 -6.567 1.00 0.56 H new ATOM 0 HD2 LYS A 32 15.355 -1.870 -5.863 1.00 0.95 H new ATOM 0 HD3 LYS A 32 14.313 -1.628 -4.474 1.00 0.95 H new ATOM 0 HE2 LYS A 32 14.904 -4.010 -4.741 1.00 1.44 H new ATOM 0 HE3 LYS A 32 13.176 -3.764 -4.895 1.00 1.44 H new ATOM 0 HZ1 LYS A 32 14.314 -5.243 -6.598 1.00 2.12 H new ATOM 0 HZ2 LYS A 32 13.256 -4.058 -7.197 1.00 2.12 H new ATOM 0 HZ3 LYS A 32 14.935 -3.818 -7.280 1.00 2.12 H new ATOM 505 N ALA A 33 8.911 -0.522 -5.401 1.00 0.16 N ATOM 506 CA ALA A 33 7.648 -0.672 -4.688 1.00 0.14 C ATOM 507 C ALA A 33 6.745 -1.666 -5.412 1.00 0.14 C ATOM 508 O ALA A 33 6.379 -1.452 -6.567 1.00 0.15 O ATOM 509 CB ALA A 33 6.955 0.674 -4.546 1.00 0.16 C ATOM 0 H ALA A 33 8.857 -0.744 -6.395 1.00 0.16 H new ATOM 0 HA ALA A 33 7.856 -1.058 -3.690 1.00 0.14 H new ATOM 0 HB1 ALA A 33 6.014 0.544 -4.012 1.00 0.16 H new ATOM 0 HB2 ALA A 33 7.597 1.357 -3.990 1.00 0.16 H new ATOM 0 HB3 ALA A 33 6.757 1.087 -5.535 1.00 0.16 H new ATOM 515 N GLY A 34 6.391 -2.756 -4.736 1.00 0.17 N ATOM 516 CA GLY A 34 5.541 -3.759 -5.357 1.00 0.20 C ATOM 517 C GLY A 34 4.650 -4.455 -4.366 1.00 0.25 C ATOM 518 O GLY A 34 4.409 -3.946 -3.272 1.00 0.35 O ATOM 0 H GLY A 34 6.674 -2.962 -3.778 1.00 0.17 H new ATOM 0 HA2 GLY A 34 4.926 -3.286 -6.123 1.00 0.20 H new ATOM 0 HA3 GLY A 34 6.165 -4.497 -5.860 1.00 0.20 H new ATOM 522 N TYR A 35 4.157 -5.628 -4.743 1.00 0.20 N ATOM 523 CA TYR A 35 3.285 -6.379 -3.853 1.00 0.26 C ATOM 524 C TYR A 35 3.095 -7.824 -4.297 1.00 0.17 C ATOM 525 O TYR A 35 3.555 -8.233 -5.366 1.00 0.17 O ATOM 526 CB TYR A 35 1.925 -5.692 -3.723 1.00 0.40 C ATOM 527 CG TYR A 35 0.916 -6.133 -4.755 1.00 0.38 C ATOM 528 CD1 TYR A 35 0.880 -5.572 -6.026 1.00 0.50 C ATOM 529 CD2 TYR A 35 -0.003 -7.113 -4.449 1.00 0.31 C ATOM 530 CE1 TYR A 35 -0.053 -5.988 -6.959 1.00 0.58 C ATOM 531 CE2 TYR A 35 -0.932 -7.537 -5.367 1.00 0.39 C ATOM 532 CZ TYR A 35 -0.924 -6.915 -6.679 1.00 0.53 C ATOM 533 OH TYR A 35 -1.888 -7.391 -7.542 1.00 0.66 O ATOM 0 H TYR A 35 4.342 -6.072 -5.642 1.00 0.20 H new ATOM 0 HA TYR A 35 3.778 -6.399 -2.881 1.00 0.26 H new ATOM 0 HB2 TYR A 35 1.523 -5.889 -2.729 1.00 0.40 H new ATOM 0 HB3 TYR A 35 2.064 -4.614 -3.803 1.00 0.40 H new ATOM 0 HD1 TYR A 35 1.590 -4.801 -6.289 1.00 0.50 H new ATOM 0 HD2 TYR A 35 0.008 -7.558 -3.465 1.00 0.31 H new ATOM 0 HE1 TYR A 35 -0.059 -5.535 -7.939 1.00 0.58 H new ATOM 0 HE2 TYR A 35 -1.646 -8.309 -5.121 1.00 0.39 H new ATOM 0 HH TYR A 35 -1.966 -8.363 -7.441 1.00 0.66 H new ATOM 543 N VAL A 36 2.387 -8.577 -3.451 1.00 0.14 N ATOM 544 CA VAL A 36 2.088 -9.977 -3.706 1.00 0.17 C ATOM 545 C VAL A 36 0.585 -10.210 -3.635 1.00 0.22 C ATOM 546 O VAL A 36 -0.107 -9.646 -2.786 1.00 0.51 O ATOM 547 CB VAL A 36 2.816 -10.913 -2.698 1.00 0.32 C ATOM 548 CG1 VAL A 36 1.829 -11.661 -1.809 1.00 1.38 C ATOM 549 CG2 VAL A 36 3.717 -11.905 -3.422 1.00 1.13 C ATOM 0 H VAL A 36 2.008 -8.227 -2.571 1.00 0.14 H new ATOM 0 HA VAL A 36 2.449 -10.217 -4.706 1.00 0.17 H new ATOM 0 HB VAL A 36 3.432 -10.277 -2.063 1.00 0.32 H new ATOM 0 HG11 VAL A 36 2.376 -12.304 -1.119 1.00 1.38 H new ATOM 0 HG12 VAL A 36 1.234 -10.944 -1.243 1.00 1.38 H new ATOM 0 HG13 VAL A 36 1.171 -12.270 -2.428 1.00 1.38 H new ATOM 0 HG21 VAL A 36 4.213 -12.546 -2.693 1.00 1.13 H new ATOM 0 HG22 VAL A 36 3.117 -12.518 -4.095 1.00 1.13 H new ATOM 0 HG23 VAL A 36 4.467 -11.362 -3.997 1.00 1.13 H new ATOM 559 N THR A 37 0.092 -11.039 -4.533 1.00 0.28 N ATOM 560 CA THR A 37 -1.324 -11.360 -4.596 1.00 0.34 C ATOM 561 C THR A 37 -1.564 -12.766 -4.077 1.00 0.26 C ATOM 562 O THR A 37 -0.720 -13.637 -4.269 1.00 0.26 O ATOM 563 CB THR A 37 -1.814 -11.274 -6.048 1.00 0.55 C ATOM 564 OG1 THR A 37 -1.590 -9.965 -6.569 1.00 1.41 O ATOM 565 CG2 THR A 37 -3.277 -11.612 -6.176 1.00 0.88 C ATOM 0 H THR A 37 0.658 -11.509 -5.239 1.00 0.28 H new ATOM 0 HA THR A 37 -1.870 -10.646 -3.980 1.00 0.34 H new ATOM 0 HB THR A 37 -1.245 -12.008 -6.619 1.00 0.55 H new ATOM 0 HG1 THR A 37 -0.914 -9.508 -6.026 1.00 1.41 H new ATOM 0 HG21 THR A 37 -3.578 -11.537 -7.221 1.00 0.88 H new ATOM 0 HG22 THR A 37 -3.448 -12.628 -5.821 1.00 0.88 H new ATOM 0 HG23 THR A 37 -3.865 -10.915 -5.579 1.00 0.88 H new ATOM 573 N ASN A 38 -2.708 -12.998 -3.425 1.00 0.26 N ATOM 574 CA ASN A 38 -3.014 -14.330 -2.909 1.00 0.26 C ATOM 575 C ASN A 38 -2.811 -15.401 -3.992 1.00 0.31 C ATOM 576 O ASN A 38 -2.692 -16.588 -3.687 1.00 0.40 O ATOM 577 CB ASN A 38 -4.450 -14.385 -2.384 1.00 0.32 C ATOM 578 CG ASN A 38 -5.449 -14.741 -3.466 1.00 0.41 C ATOM 579 OD1 ASN A 38 -6.135 -15.760 -3.383 1.00 0.50 O ATOM 580 ND2 ASN A 38 -5.536 -13.899 -4.488 1.00 0.44 N ATOM 0 H ASN A 38 -3.423 -12.293 -3.246 1.00 0.26 H new ATOM 0 HA ASN A 38 -2.328 -14.536 -2.087 1.00 0.26 H new ATOM 0 HB2 ASN A 38 -4.512 -15.119 -1.581 1.00 0.32 H new ATOM 0 HB3 ASN A 38 -4.714 -13.419 -1.954 1.00 0.32 H new ATOM 0 HD21 ASN A 38 -6.192 -14.084 -5.247 1.00 0.44 H new ATOM 0 HD22 ASN A 38 -4.947 -13.067 -4.514 1.00 0.44 H new ATOM 587 N ARG A 39 -2.764 -14.968 -5.255 1.00 0.32 N ATOM 588 CA ARG A 39 -2.567 -15.878 -6.385 1.00 0.43 C ATOM 589 C ARG A 39 -1.093 -15.962 -6.767 1.00 0.43 C ATOM 590 O ARG A 39 -0.754 -16.336 -7.892 1.00 0.65 O ATOM 591 CB ARG A 39 -3.365 -15.405 -7.602 1.00 0.51 C ATOM 592 CG ARG A 39 -4.726 -14.827 -7.260 1.00 0.55 C ATOM 593 CD ARG A 39 -5.172 -13.811 -8.298 1.00 0.61 C ATOM 594 NE ARG A 39 -6.503 -14.109 -8.819 1.00 1.05 N ATOM 595 CZ ARG A 39 -6.739 -14.476 -10.076 1.00 1.22 C ATOM 596 NH1 ARG A 39 -5.737 -14.588 -10.937 1.00 1.88 N ATOM 597 NH2 ARG A 39 -7.978 -14.729 -10.473 1.00 1.58 N ATOM 0 H ARG A 39 -2.860 -13.988 -5.521 1.00 0.32 H new ATOM 0 HA ARG A 39 -2.916 -16.863 -6.077 1.00 0.43 H new ATOM 0 HB2 ARG A 39 -2.785 -14.651 -8.134 1.00 0.51 H new ATOM 0 HB3 ARG A 39 -3.499 -16.244 -8.285 1.00 0.51 H new ATOM 0 HG2 ARG A 39 -5.459 -15.631 -7.197 1.00 0.55 H new ATOM 0 HG3 ARG A 39 -4.686 -14.354 -6.279 1.00 0.55 H new ATOM 0 HD2 ARG A 39 -5.171 -12.815 -7.854 1.00 0.61 H new ATOM 0 HD3 ARG A 39 -4.456 -13.795 -9.120 1.00 0.61 H new ATOM 0 HE ARG A 39 -7.297 -14.031 -8.183 1.00 1.05 H new ATOM 0 HH11 ARG A 39 -4.782 -14.393 -10.636 1.00 1.88 H new ATOM 0 HH12 ARG A 39 -5.921 -14.870 -11.900 1.00 1.88 H new ATOM 0 HH21 ARG A 39 -8.752 -14.642 -9.815 1.00 1.58 H new ATOM 0 HH22 ARG A 39 -8.157 -15.010 -11.437 1.00 1.58 H new ATOM 611 N GLY A 40 -0.223 -15.607 -5.834 1.00 0.37 N ATOM 612 CA GLY A 40 1.202 -15.639 -6.097 1.00 0.38 C ATOM 613 C GLY A 40 1.622 -14.652 -7.172 1.00 0.33 C ATOM 614 O GLY A 40 2.363 -15.007 -8.087 1.00 0.37 O ATOM 0 H GLY A 40 -0.478 -15.296 -4.897 1.00 0.37 H new ATOM 0 HA2 GLY A 40 1.742 -15.419 -5.176 1.00 0.38 H new ATOM 0 HA3 GLY A 40 1.489 -16.646 -6.402 1.00 0.38 H new ATOM 618 N ARG A 41 1.161 -13.405 -7.058 1.00 0.28 N ATOM 619 CA ARG A 41 1.518 -12.374 -8.031 1.00 0.25 C ATOM 620 C ARG A 41 2.615 -11.486 -7.461 1.00 0.26 C ATOM 621 O ARG A 41 2.814 -11.442 -6.250 1.00 0.54 O ATOM 622 CB ARG A 41 0.284 -11.553 -8.430 1.00 0.29 C ATOM 623 CG ARG A 41 0.521 -10.053 -8.620 1.00 0.29 C ATOM 624 CD ARG A 41 -0.325 -9.513 -9.764 1.00 0.40 C ATOM 625 NE ARG A 41 -0.494 -10.496 -10.833 1.00 0.97 N ATOM 626 CZ ARG A 41 -0.203 -10.258 -12.108 1.00 1.06 C ATOM 627 NH1 ARG A 41 0.267 -9.073 -12.476 1.00 1.54 N ATOM 628 NH2 ARG A 41 -0.384 -11.206 -13.017 1.00 1.61 N ATOM 0 H ARG A 41 0.546 -13.088 -6.309 1.00 0.28 H new ATOM 0 HA ARG A 41 1.897 -12.852 -8.934 1.00 0.25 H new ATOM 0 HB2 ARG A 41 -0.116 -11.960 -9.359 1.00 0.29 H new ATOM 0 HB3 ARG A 41 -0.482 -11.688 -7.667 1.00 0.29 H new ATOM 0 HG2 ARG A 41 0.277 -9.522 -7.700 1.00 0.29 H new ATOM 0 HG3 ARG A 41 1.576 -9.870 -8.824 1.00 0.29 H new ATOM 0 HD2 ARG A 41 -1.303 -9.219 -9.384 1.00 0.40 H new ATOM 0 HD3 ARG A 41 0.143 -8.615 -10.168 1.00 0.40 H new ATOM 0 HE ARG A 41 -0.856 -11.417 -10.586 1.00 0.97 H new ATOM 0 HH11 ARG A 41 0.406 -8.341 -11.780 1.00 1.54 H new ATOM 0 HH12 ARG A 41 0.489 -8.894 -13.455 1.00 1.54 H new ATOM 0 HH21 ARG A 41 -0.746 -12.118 -12.738 1.00 1.61 H new ATOM 0 HH22 ARG A 41 -0.161 -11.024 -13.995 1.00 1.61 H new ATOM 642 N GLN A 42 3.335 -10.796 -8.334 1.00 0.26 N ATOM 643 CA GLN A 42 4.427 -9.930 -7.894 1.00 0.27 C ATOM 644 C GLN A 42 4.722 -8.819 -8.897 1.00 0.28 C ATOM 645 O GLN A 42 4.897 -9.073 -10.089 1.00 0.32 O ATOM 646 CB GLN A 42 5.697 -10.758 -7.678 1.00 0.34 C ATOM 647 CG GLN A 42 5.780 -11.423 -6.314 1.00 0.76 C ATOM 648 CD GLN A 42 6.353 -10.506 -5.254 1.00 0.89 C ATOM 649 OE1 GLN A 42 7.565 -10.460 -5.042 1.00 1.18 O ATOM 650 NE2 GLN A 42 5.479 -9.768 -4.581 1.00 1.37 N ATOM 0 H GLN A 42 3.187 -10.816 -9.343 1.00 0.26 H new ATOM 0 HA GLN A 42 4.112 -9.467 -6.959 1.00 0.27 H new ATOM 0 HB2 GLN A 42 5.752 -11.527 -8.449 1.00 0.34 H new ATOM 0 HB3 GLN A 42 6.565 -10.112 -7.809 1.00 0.34 H new ATOM 0 HG2 GLN A 42 4.784 -11.746 -6.010 1.00 0.76 H new ATOM 0 HG3 GLN A 42 6.397 -12.318 -6.387 1.00 0.76 H new ATOM 0 HE21 GLN A 42 4.483 -9.839 -4.791 1.00 1.37 H new ATOM 0 HE22 GLN A 42 5.803 -9.130 -3.854 1.00 1.37 H new ATOM 659 N LYS A 43 4.812 -7.589 -8.396 1.00 0.33 N ATOM 660 CA LYS A 43 5.130 -6.437 -9.241 1.00 0.38 C ATOM 661 C LYS A 43 6.080 -5.496 -8.516 1.00 0.27 C ATOM 662 O LYS A 43 6.291 -5.633 -7.310 1.00 0.20 O ATOM 663 CB LYS A 43 3.875 -5.665 -9.655 1.00 0.53 C ATOM 664 CG LYS A 43 2.609 -6.109 -8.951 1.00 0.36 C ATOM 665 CD LYS A 43 1.739 -6.960 -9.858 1.00 0.39 C ATOM 666 CE LYS A 43 1.199 -6.159 -11.033 1.00 0.57 C ATOM 667 NZ LYS A 43 -0.284 -6.035 -10.987 1.00 1.77 N ATOM 0 H LYS A 43 4.670 -7.363 -7.412 1.00 0.33 H new ATOM 0 HA LYS A 43 5.605 -6.824 -10.143 1.00 0.38 H new ATOM 0 HB2 LYS A 43 4.033 -4.605 -9.458 1.00 0.53 H new ATOM 0 HB3 LYS A 43 3.735 -5.772 -10.731 1.00 0.53 H new ATOM 0 HG2 LYS A 43 2.868 -6.676 -8.057 1.00 0.36 H new ATOM 0 HG3 LYS A 43 2.048 -5.234 -8.623 1.00 0.36 H new ATOM 0 HD2 LYS A 43 2.318 -7.805 -10.229 1.00 0.39 H new ATOM 0 HD3 LYS A 43 0.908 -7.370 -9.285 1.00 0.39 H new ATOM 0 HE2 LYS A 43 1.646 -5.165 -11.031 1.00 0.57 H new ATOM 0 HE3 LYS A 43 1.494 -6.639 -11.966 1.00 0.57 H new ATOM 0 HZ1 LYS A 43 -0.558 -5.061 -11.226 1.00 1.77 H new ATOM 0 HZ2 LYS A 43 -0.709 -6.692 -11.672 1.00 1.77 H new ATOM 0 HZ3 LYS A 43 -0.622 -6.266 -10.031 1.00 1.77 H new ATOM 681 N VAL A 44 6.645 -4.543 -9.260 1.00 0.34 N ATOM 682 CA VAL A 44 7.576 -3.566 -8.700 1.00 0.28 C ATOM 683 C VAL A 44 7.555 -2.266 -9.504 1.00 0.32 C ATOM 684 O VAL A 44 7.345 -2.280 -10.717 1.00 0.46 O ATOM 685 CB VAL A 44 9.017 -4.112 -8.671 1.00 0.37 C ATOM 686 CG1 VAL A 44 9.255 -4.931 -7.411 1.00 1.34 C ATOM 687 CG2 VAL A 44 9.304 -4.940 -9.914 1.00 1.47 C ATOM 0 H VAL A 44 6.471 -4.428 -10.259 1.00 0.34 H new ATOM 0 HA VAL A 44 7.250 -3.368 -7.679 1.00 0.28 H new ATOM 0 HB VAL A 44 9.703 -3.265 -8.662 1.00 0.37 H new ATOM 0 HG11 VAL A 44 10.278 -5.307 -7.410 1.00 1.34 H new ATOM 0 HG12 VAL A 44 9.098 -4.303 -6.534 1.00 1.34 H new ATOM 0 HG13 VAL A 44 8.560 -5.770 -7.386 1.00 1.34 H new ATOM 0 HG21 VAL A 44 10.326 -5.316 -9.873 1.00 1.47 H new ATOM 0 HG22 VAL A 44 8.611 -5.780 -9.960 1.00 1.47 H new ATOM 0 HG23 VAL A 44 9.181 -4.319 -10.801 1.00 1.47 H new ATOM 697 N VAL A 45 7.766 -1.146 -8.817 1.00 0.21 N ATOM 698 CA VAL A 45 7.767 0.169 -9.458 1.00 0.26 C ATOM 699 C VAL A 45 8.890 1.047 -8.922 1.00 0.23 C ATOM 700 O VAL A 45 9.606 0.659 -8.002 1.00 0.27 O ATOM 701 CB VAL A 45 6.432 0.905 -9.234 1.00 0.30 C ATOM 702 CG1 VAL A 45 5.252 0.028 -9.628 1.00 0.50 C ATOM 703 CG2 VAL A 45 6.312 1.354 -7.784 1.00 0.33 C ATOM 0 H VAL A 45 7.939 -1.122 -7.812 1.00 0.21 H new ATOM 0 HA VAL A 45 7.915 -0.008 -10.523 1.00 0.26 H new ATOM 0 HB VAL A 45 6.418 1.789 -9.872 1.00 0.30 H new ATOM 0 HG11 VAL A 45 4.322 0.572 -9.460 1.00 0.50 H new ATOM 0 HG12 VAL A 45 5.332 -0.237 -10.682 1.00 0.50 H new ATOM 0 HG13 VAL A 45 5.256 -0.880 -9.024 1.00 0.50 H new ATOM 0 HG21 VAL A 45 5.364 1.872 -7.641 1.00 0.33 H new ATOM 0 HG22 VAL A 45 6.352 0.484 -7.129 1.00 0.33 H new ATOM 0 HG23 VAL A 45 7.134 2.028 -7.543 1.00 0.33 H new ATOM 713 N THR A 46 9.025 2.242 -9.491 1.00 0.29 N ATOM 714 CA THR A 46 10.048 3.182 -9.052 1.00 0.27 C ATOM 715 C THR A 46 9.415 4.433 -8.458 1.00 0.26 C ATOM 716 O THR A 46 8.522 5.033 -9.058 1.00 0.31 O ATOM 717 CB THR A 46 10.989 3.597 -10.197 1.00 0.33 C ATOM 718 OG1 THR A 46 10.280 4.403 -11.145 1.00 0.39 O ATOM 719 CG2 THR A 46 11.574 2.377 -10.893 1.00 0.39 C ATOM 0 H THR A 46 8.440 2.580 -10.255 1.00 0.29 H new ATOM 0 HA THR A 46 10.635 2.665 -8.293 1.00 0.27 H new ATOM 0 HB THR A 46 11.809 4.175 -9.771 1.00 0.33 H new ATOM 0 HG1 THR A 46 9.444 4.720 -10.744 1.00 0.39 H new ATOM 0 HG21 THR A 46 12.235 2.699 -11.698 1.00 0.39 H new ATOM 0 HG22 THR A 46 12.140 1.784 -10.174 1.00 0.39 H new ATOM 0 HG23 THR A 46 10.767 1.772 -11.307 1.00 0.39 H new ATOM 727 N LEU A 47 9.877 4.817 -7.276 1.00 0.22 N ATOM 728 CA LEU A 47 9.344 5.997 -6.598 1.00 0.24 C ATOM 729 C LEU A 47 9.699 7.276 -7.341 1.00 0.29 C ATOM 730 O LEU A 47 10.807 7.430 -7.856 1.00 0.36 O ATOM 731 CB LEU A 47 9.878 6.098 -5.170 1.00 0.35 C ATOM 732 CG LEU A 47 8.876 5.777 -4.072 1.00 0.52 C ATOM 733 CD1 LEU A 47 8.581 4.289 -4.047 1.00 0.74 C ATOM 734 CD2 LEU A 47 9.404 6.272 -2.739 1.00 1.31 C ATOM 0 H LEU A 47 10.616 4.333 -6.766 1.00 0.22 H new ATOM 0 HA LEU A 47 8.260 5.883 -6.578 1.00 0.24 H new ATOM 0 HB2 LEU A 47 10.728 5.424 -5.070 1.00 0.35 H new ATOM 0 HB3 LEU A 47 10.253 7.109 -5.012 1.00 0.35 H new ATOM 0 HG LEU A 47 7.936 6.290 -4.273 1.00 0.52 H new ATOM 0 HD11 LEU A 47 7.862 4.074 -3.256 1.00 0.74 H new ATOM 0 HD12 LEU A 47 8.166 3.984 -5.008 1.00 0.74 H new ATOM 0 HD13 LEU A 47 9.503 3.738 -3.859 1.00 0.74 H new ATOM 0 HD21 LEU A 47 8.684 6.041 -1.954 1.00 1.31 H new ATOM 0 HD22 LEU A 47 10.352 5.781 -2.518 1.00 1.31 H new ATOM 0 HD23 LEU A 47 9.556 7.350 -2.786 1.00 1.31 H new ATOM 746 N THR A 48 8.753 8.201 -7.357 1.00 0.29 N ATOM 747 CA THR A 48 8.941 9.494 -7.995 1.00 0.38 C ATOM 748 C THR A 48 8.315 10.580 -7.133 1.00 0.37 C ATOM 749 O THR A 48 7.091 10.674 -7.041 1.00 0.37 O ATOM 750 CB THR A 48 8.313 9.542 -9.398 1.00 0.46 C ATOM 751 OG1 THR A 48 7.189 8.656 -9.463 1.00 0.52 O ATOM 752 CG2 THR A 48 9.330 9.159 -10.460 1.00 0.60 C ATOM 0 H THR A 48 7.835 8.077 -6.929 1.00 0.29 H new ATOM 0 HA THR A 48 10.014 9.657 -8.100 1.00 0.38 H new ATOM 0 HB THR A 48 7.981 10.563 -9.588 1.00 0.46 H new ATOM 0 HG1 THR A 48 6.794 8.694 -10.359 1.00 0.52 H new ATOM 0 HG21 THR A 48 8.862 9.200 -11.444 1.00 0.60 H new ATOM 0 HG22 THR A 48 10.169 9.854 -10.428 1.00 0.60 H new ATOM 0 HG23 THR A 48 9.689 8.147 -10.272 1.00 0.60 H new ATOM 760 N ASP A 49 9.153 11.379 -6.482 1.00 0.40 N ATOM 761 CA ASP A 49 8.667 12.436 -5.602 1.00 0.42 C ATOM 762 C ASP A 49 7.860 11.829 -4.455 1.00 0.39 C ATOM 763 O ASP A 49 7.193 12.539 -3.700 1.00 0.48 O ATOM 764 CB ASP A 49 7.810 13.437 -6.382 1.00 0.45 C ATOM 765 CG ASP A 49 7.742 14.792 -5.705 1.00 1.01 C ATOM 766 OD1 ASP A 49 8.761 15.513 -5.718 1.00 1.01 O ATOM 767 OD2 ASP A 49 6.669 15.131 -5.163 1.00 1.86 O ATOM 0 H ASP A 49 10.169 11.316 -6.546 1.00 0.40 H new ATOM 0 HA ASP A 49 9.525 12.968 -5.190 1.00 0.42 H new ATOM 0 HB2 ASP A 49 8.218 13.556 -7.386 1.00 0.45 H new ATOM 0 HB3 ASP A 49 6.802 13.039 -6.493 1.00 0.45 H new ATOM 772 N THR A 50 7.930 10.503 -4.339 1.00 0.33 N ATOM 773 CA THR A 50 7.217 9.767 -3.299 1.00 0.30 C ATOM 774 C THR A 50 8.131 9.483 -2.107 1.00 0.35 C ATOM 775 O THR A 50 9.341 9.326 -2.267 1.00 0.45 O ATOM 776 CB THR A 50 6.665 8.441 -3.850 1.00 0.25 C ATOM 777 OG1 THR A 50 7.397 8.059 -5.018 1.00 0.73 O ATOM 778 CG2 THR A 50 5.192 8.578 -4.202 1.00 0.56 C ATOM 0 H THR A 50 8.481 9.912 -4.962 1.00 0.33 H new ATOM 0 HA THR A 50 6.385 10.388 -2.967 1.00 0.30 H new ATOM 0 HB THR A 50 6.774 7.677 -3.080 1.00 0.25 H new ATOM 0 HG1 THR A 50 6.863 7.431 -5.548 1.00 0.73 H new ATOM 0 HG21 THR A 50 4.821 7.629 -4.590 1.00 0.56 H new ATOM 0 HG22 THR A 50 4.628 8.851 -3.310 1.00 0.56 H new ATOM 0 HG23 THR A 50 5.069 9.352 -4.959 1.00 0.56 H new ATOM 786 N THR A 51 7.547 9.425 -0.912 1.00 0.41 N ATOM 787 CA THR A 51 8.315 9.168 0.307 1.00 0.48 C ATOM 788 C THR A 51 8.341 7.681 0.650 1.00 0.35 C ATOM 789 O THR A 51 7.818 6.856 -0.097 1.00 0.33 O ATOM 790 CB THR A 51 7.741 9.946 1.506 1.00 0.64 C ATOM 791 OG1 THR A 51 6.802 10.927 1.052 1.00 0.63 O ATOM 792 CG2 THR A 51 8.852 10.627 2.291 1.00 0.84 C ATOM 0 H THR A 51 6.546 9.552 -0.761 1.00 0.41 H new ATOM 0 HA THR A 51 9.332 9.507 0.110 1.00 0.48 H new ATOM 0 HB THR A 51 7.235 9.236 2.161 1.00 0.64 H new ATOM 0 HG1 THR A 51 6.441 11.415 1.821 1.00 0.63 H new ATOM 0 HG21 THR A 51 8.422 11.170 3.133 1.00 0.84 H new ATOM 0 HG22 THR A 51 9.549 9.875 2.662 1.00 0.84 H new ATOM 0 HG23 THR A 51 9.382 11.324 1.642 1.00 0.84 H new ATOM 800 N ASN A 52 8.960 7.345 1.784 1.00 0.30 N ATOM 801 CA ASN A 52 9.062 5.954 2.224 1.00 0.26 C ATOM 802 C ASN A 52 7.684 5.304 2.325 1.00 0.19 C ATOM 803 O ASN A 52 7.420 4.273 1.701 1.00 0.20 O ATOM 804 CB ASN A 52 9.793 5.866 3.568 1.00 0.29 C ATOM 805 CG ASN A 52 9.016 6.506 4.703 1.00 0.54 C ATOM 806 OD1 ASN A 52 8.743 5.867 5.720 1.00 0.71 O ATOM 807 ND2 ASN A 52 8.657 7.773 4.538 1.00 0.80 N ATOM 0 H ASN A 52 9.398 8.018 2.413 1.00 0.30 H new ATOM 0 HA ASN A 52 9.638 5.409 1.476 1.00 0.26 H new ATOM 0 HB2 ASN A 52 9.980 4.819 3.807 1.00 0.29 H new ATOM 0 HB3 ASN A 52 10.765 6.351 3.480 1.00 0.29 H new ATOM 0 HD21 ASN A 52 8.134 8.254 5.270 1.00 0.80 H new ATOM 0 HD22 ASN A 52 8.904 8.265 3.679 1.00 0.80 H new ATOM 814 N GLN A 53 6.791 5.908 3.095 1.00 0.17 N ATOM 815 CA GLN A 53 5.452 5.365 3.220 1.00 0.20 C ATOM 816 C GLN A 53 4.825 5.308 1.839 1.00 0.24 C ATOM 817 O GLN A 53 4.178 4.331 1.471 1.00 0.34 O ATOM 818 CB GLN A 53 4.595 6.217 4.153 1.00 0.27 C ATOM 819 CG GLN A 53 3.283 5.554 4.533 1.00 0.89 C ATOM 820 CD GLN A 53 2.274 5.545 3.398 1.00 1.75 C ATOM 821 OE1 GLN A 53 2.114 4.546 2.699 1.00 2.48 O ATOM 822 NE2 GLN A 53 1.580 6.657 3.215 1.00 1.81 N ATOM 0 H GLN A 53 6.966 6.757 3.632 1.00 0.17 H new ATOM 0 HA GLN A 53 5.509 4.365 3.650 1.00 0.20 H new ATOM 0 HB2 GLN A 53 5.161 6.433 5.059 1.00 0.27 H new ATOM 0 HB3 GLN A 53 4.386 7.173 3.672 1.00 0.27 H new ATOM 0 HG2 GLN A 53 3.478 4.529 4.847 1.00 0.89 H new ATOM 0 HG3 GLN A 53 2.854 6.074 5.390 1.00 0.89 H new ATOM 0 HE21 GLN A 53 1.743 7.464 3.817 1.00 1.81 H new ATOM 0 HE22 GLN A 53 0.883 6.707 2.472 1.00 1.81 H new ATOM 831 N LYS A 54 5.046 6.369 1.077 1.00 0.20 N ATOM 832 CA LYS A 54 4.529 6.468 -0.271 1.00 0.27 C ATOM 833 C LYS A 54 5.011 5.295 -1.118 1.00 0.24 C ATOM 834 O LYS A 54 4.342 4.906 -2.067 1.00 0.27 O ATOM 835 CB LYS A 54 4.910 7.809 -0.896 1.00 0.34 C ATOM 836 CG LYS A 54 3.828 8.873 -0.730 1.00 0.50 C ATOM 837 CD LYS A 54 4.012 9.682 0.550 1.00 0.80 C ATOM 838 CE LYS A 54 3.609 8.891 1.789 1.00 0.61 C ATOM 839 NZ LYS A 54 2.901 9.739 2.787 1.00 1.52 N ATOM 0 H LYS A 54 5.587 7.180 1.378 1.00 0.20 H new ATOM 0 HA LYS A 54 3.441 6.421 -0.232 1.00 0.27 H new ATOM 0 HB2 LYS A 54 5.835 8.165 -0.442 1.00 0.34 H new ATOM 0 HB3 LYS A 54 5.110 7.665 -1.958 1.00 0.34 H new ATOM 0 HG2 LYS A 54 3.845 9.544 -1.589 1.00 0.50 H new ATOM 0 HG3 LYS A 54 2.848 8.395 -0.719 1.00 0.50 H new ATOM 0 HD2 LYS A 54 5.054 9.988 0.639 1.00 0.80 H new ATOM 0 HD3 LYS A 54 3.416 10.593 0.492 1.00 0.80 H new ATOM 0 HE2 LYS A 54 2.965 8.062 1.496 1.00 0.61 H new ATOM 0 HE3 LYS A 54 4.498 8.458 2.247 1.00 0.61 H new ATOM 0 HZ1 LYS A 54 3.192 9.463 3.746 1.00 1.52 H new ATOM 0 HZ2 LYS A 54 3.141 10.738 2.627 1.00 1.52 H new ATOM 0 HZ3 LYS A 54 1.874 9.610 2.686 1.00 1.52 H new ATOM 853 N THR A 55 6.149 4.698 -0.749 1.00 0.21 N ATOM 854 CA THR A 55 6.638 3.530 -1.476 1.00 0.23 C ATOM 855 C THR A 55 5.607 2.437 -1.320 1.00 0.19 C ATOM 856 O THR A 55 5.271 1.717 -2.260 1.00 0.21 O ATOM 857 CB THR A 55 7.988 2.992 -0.949 1.00 0.29 C ATOM 858 OG1 THR A 55 7.773 2.178 0.210 1.00 0.30 O ATOM 859 CG2 THR A 55 8.946 4.117 -0.607 1.00 0.34 C ATOM 0 H THR A 55 6.735 4.998 0.031 1.00 0.21 H new ATOM 0 HA THR A 55 6.797 3.829 -2.512 1.00 0.23 H new ATOM 0 HB THR A 55 8.436 2.395 -1.743 1.00 0.29 H new ATOM 0 HG1 THR A 55 7.810 2.737 1.014 1.00 0.30 H new ATOM 0 HG21 THR A 55 9.883 3.698 -0.240 1.00 0.34 H new ATOM 0 HG22 THR A 55 9.140 4.714 -1.498 1.00 0.34 H new ATOM 0 HG23 THR A 55 8.505 4.749 0.164 1.00 0.34 H new ATOM 867 N GLU A 56 5.095 2.354 -0.101 1.00 0.16 N ATOM 868 CA GLU A 56 4.072 1.388 0.247 1.00 0.18 C ATOM 869 C GLU A 56 2.719 1.864 -0.270 1.00 0.18 C ATOM 870 O GLU A 56 1.816 1.066 -0.510 1.00 0.22 O ATOM 871 CB GLU A 56 4.030 1.199 1.764 1.00 0.19 C ATOM 872 CG GLU A 56 5.273 1.710 2.476 1.00 0.21 C ATOM 873 CD GLU A 56 6.390 0.687 2.512 1.00 0.39 C ATOM 874 OE1 GLU A 56 6.156 -0.464 2.087 1.00 0.52 O ATOM 875 OE2 GLU A 56 7.500 1.036 2.966 1.00 0.65 O ATOM 0 H GLU A 56 5.379 2.956 0.672 1.00 0.16 H new ATOM 0 HA GLU A 56 4.306 0.429 -0.216 1.00 0.18 H new ATOM 0 HB2 GLU A 56 3.156 1.714 2.162 1.00 0.19 H new ATOM 0 HB3 GLU A 56 3.904 0.139 1.986 1.00 0.19 H new ATOM 0 HG2 GLU A 56 5.628 2.611 1.976 1.00 0.21 H new ATOM 0 HG3 GLU A 56 5.012 1.993 3.496 1.00 0.21 H new ATOM 882 N LEU A 57 2.601 3.180 -0.452 1.00 0.18 N ATOM 883 CA LEU A 57 1.374 3.791 -0.959 1.00 0.22 C ATOM 884 C LEU A 57 1.206 3.473 -2.434 1.00 0.23 C ATOM 885 O LEU A 57 0.135 3.063 -2.878 1.00 0.29 O ATOM 886 CB LEU A 57 1.423 5.307 -0.762 1.00 0.25 C ATOM 887 CG LEU A 57 0.113 5.982 -0.339 1.00 0.42 C ATOM 888 CD1 LEU A 57 -0.682 5.086 0.596 1.00 0.99 C ATOM 889 CD2 LEU A 57 0.417 7.318 0.320 1.00 1.24 C ATOM 0 H LEU A 57 3.347 3.847 -0.254 1.00 0.18 H new ATOM 0 HA LEU A 57 0.526 3.386 -0.407 1.00 0.22 H new ATOM 0 HB2 LEU A 57 2.180 5.530 -0.010 1.00 0.25 H new ATOM 0 HB3 LEU A 57 1.756 5.762 -1.695 1.00 0.25 H new ATOM 0 HG LEU A 57 -0.497 6.155 -1.226 1.00 0.42 H new ATOM 0 HD11 LEU A 57 -1.607 5.587 0.882 1.00 0.99 H new ATOM 0 HD12 LEU A 57 -0.918 4.150 0.090 1.00 0.99 H new ATOM 0 HD13 LEU A 57 -0.092 4.877 1.488 1.00 0.99 H new ATOM 0 HD21 LEU A 57 -0.515 7.796 0.620 1.00 1.24 H new ATOM 0 HD22 LEU A 57 1.041 7.157 1.199 1.00 1.24 H new ATOM 0 HD23 LEU A 57 0.944 7.960 -0.386 1.00 1.24 H new ATOM 901 N GLN A 58 2.285 3.645 -3.183 1.00 0.20 N ATOM 902 CA GLN A 58 2.275 3.354 -4.600 1.00 0.20 C ATOM 903 C GLN A 58 2.005 1.870 -4.770 1.00 0.20 C ATOM 904 O GLN A 58 1.116 1.457 -5.519 1.00 0.22 O ATOM 905 CB GLN A 58 3.617 3.745 -5.230 1.00 0.20 C ATOM 906 CG GLN A 58 3.750 3.333 -6.686 1.00 0.22 C ATOM 907 CD GLN A 58 2.541 3.719 -7.516 1.00 0.23 C ATOM 908 OE1 GLN A 58 2.348 4.888 -7.846 1.00 0.27 O ATOM 909 NE2 GLN A 58 1.717 2.733 -7.855 1.00 0.24 N ATOM 0 H GLN A 58 3.178 3.986 -2.828 1.00 0.20 H new ATOM 0 HA GLN A 58 1.498 3.929 -5.104 1.00 0.20 H new ATOM 0 HB2 GLN A 58 3.743 4.825 -5.154 1.00 0.20 H new ATOM 0 HB3 GLN A 58 4.424 3.289 -4.657 1.00 0.20 H new ATOM 0 HG2 GLN A 58 4.640 3.797 -7.111 1.00 0.22 H new ATOM 0 HG3 GLN A 58 3.895 2.254 -6.742 1.00 0.22 H new ATOM 0 HE21 GLN A 58 1.916 1.777 -7.559 1.00 0.24 H new ATOM 0 HE22 GLN A 58 0.885 2.932 -8.411 1.00 0.24 H new ATOM 918 N ALA A 59 2.754 1.076 -4.016 1.00 0.21 N ATOM 919 CA ALA A 59 2.584 -0.363 -4.023 1.00 0.21 C ATOM 920 C ALA A 59 1.176 -0.706 -3.557 1.00 0.19 C ATOM 921 O ALA A 59 0.591 -1.695 -3.988 1.00 0.20 O ATOM 922 CB ALA A 59 3.620 -1.023 -3.126 1.00 0.24 C ATOM 0 H ALA A 59 3.487 1.410 -3.391 1.00 0.21 H new ATOM 0 HA ALA A 59 2.726 -0.739 -5.036 1.00 0.21 H new ATOM 0 HB1 ALA A 59 3.479 -2.104 -3.142 1.00 0.24 H new ATOM 0 HB2 ALA A 59 4.620 -0.782 -3.487 1.00 0.24 H new ATOM 0 HB3 ALA A 59 3.504 -0.657 -2.106 1.00 0.24 H new ATOM 928 N ILE A 60 0.628 0.138 -2.680 1.00 0.20 N ATOM 929 CA ILE A 60 -0.724 -0.069 -2.172 1.00 0.21 C ATOM 930 C ILE A 60 -1.702 -0.156 -3.336 1.00 0.20 C ATOM 931 O ILE A 60 -2.439 -1.132 -3.469 1.00 0.21 O ATOM 932 CB ILE A 60 -1.145 1.043 -1.178 1.00 0.25 C ATOM 933 CG1 ILE A 60 -1.035 0.529 0.258 1.00 0.19 C ATOM 934 CG2 ILE A 60 -2.564 1.526 -1.450 1.00 0.43 C ATOM 935 CD1 ILE A 60 -0.748 1.617 1.269 1.00 0.67 C ATOM 0 H ILE A 60 1.098 0.965 -2.311 1.00 0.20 H new ATOM 0 HA ILE A 60 -0.739 -1.009 -1.620 1.00 0.21 H new ATOM 0 HB ILE A 60 -0.470 1.888 -1.315 1.00 0.25 H new ATOM 0 HG12 ILE A 60 -1.965 0.029 0.529 1.00 0.19 H new ATOM 0 HG13 ILE A 60 -0.244 -0.220 0.308 1.00 0.19 H new ATOM 0 HG21 ILE A 60 -2.826 2.305 -0.735 1.00 0.43 H new ATOM 0 HG22 ILE A 60 -2.624 1.927 -2.462 1.00 0.43 H new ATOM 0 HG23 ILE A 60 -3.258 0.692 -1.348 1.00 0.43 H new ATOM 0 HD11 ILE A 60 -0.683 1.180 2.265 1.00 0.67 H new ATOM 0 HD12 ILE A 60 0.197 2.102 1.023 1.00 0.67 H new ATOM 0 HD13 ILE A 60 -1.550 2.354 1.248 1.00 0.67 H new ATOM 947 N TYR A 61 -1.678 0.860 -4.194 1.00 0.22 N ATOM 948 CA TYR A 61 -2.537 0.894 -5.372 1.00 0.24 C ATOM 949 C TYR A 61 -2.384 -0.398 -6.161 1.00 0.25 C ATOM 950 O TYR A 61 -3.314 -0.850 -6.828 1.00 0.27 O ATOM 951 CB TYR A 61 -2.171 2.108 -6.244 1.00 0.27 C ATOM 952 CG TYR A 61 -2.066 1.832 -7.738 1.00 0.22 C ATOM 953 CD1 TYR A 61 -0.975 1.149 -8.281 1.00 0.26 C ATOM 954 CD2 TYR A 61 -3.055 2.276 -8.607 1.00 0.24 C ATOM 955 CE1 TYR A 61 -0.884 0.919 -9.640 1.00 0.30 C ATOM 956 CE2 TYR A 61 -2.966 2.052 -9.968 1.00 0.27 C ATOM 957 CZ TYR A 61 -1.879 1.373 -10.478 1.00 0.30 C ATOM 958 OH TYR A 61 -1.788 1.150 -11.833 1.00 0.38 O ATOM 0 H TYR A 61 -1.070 1.673 -4.094 1.00 0.22 H new ATOM 0 HA TYR A 61 -3.577 0.988 -5.061 1.00 0.24 H new ATOM 0 HB2 TYR A 61 -2.919 2.885 -6.087 1.00 0.27 H new ATOM 0 HB3 TYR A 61 -1.218 2.508 -5.898 1.00 0.27 H new ATOM 0 HD1 TYR A 61 -0.191 0.795 -7.628 1.00 0.26 H new ATOM 0 HD2 TYR A 61 -3.909 2.806 -8.212 1.00 0.24 H new ATOM 0 HE1 TYR A 61 -0.036 0.385 -10.044 1.00 0.30 H new ATOM 0 HE2 TYR A 61 -3.743 2.407 -10.629 1.00 0.27 H new ATOM 0 HH TYR A 61 -2.571 1.533 -12.281 1.00 0.38 H new ATOM 968 N LEU A 62 -1.194 -0.978 -6.081 1.00 0.25 N ATOM 969 CA LEU A 62 -0.891 -2.202 -6.781 1.00 0.26 C ATOM 970 C LEU A 62 -1.709 -3.366 -6.239 1.00 0.25 C ATOM 971 O LEU A 62 -2.398 -4.053 -6.995 1.00 0.28 O ATOM 972 CB LEU A 62 0.593 -2.483 -6.642 1.00 0.30 C ATOM 973 CG LEU A 62 1.381 -2.511 -7.953 1.00 0.54 C ATOM 974 CD1 LEU A 62 2.798 -3.003 -7.715 1.00 0.55 C ATOM 975 CD2 LEU A 62 0.675 -3.365 -8.999 1.00 0.91 C ATOM 0 H LEU A 62 -0.420 -0.609 -5.529 1.00 0.25 H new ATOM 0 HA LEU A 62 -1.152 -2.088 -7.833 1.00 0.26 H new ATOM 0 HB2 LEU A 62 1.030 -1.725 -5.991 1.00 0.30 H new ATOM 0 HB3 LEU A 62 0.718 -3.443 -6.142 1.00 0.30 H new ATOM 0 HG LEU A 62 1.434 -1.493 -8.338 1.00 0.54 H new ATOM 0 HD11 LEU A 62 3.342 -3.016 -8.659 1.00 0.55 H new ATOM 0 HD12 LEU A 62 3.302 -2.337 -7.015 1.00 0.55 H new ATOM 0 HD13 LEU A 62 2.768 -4.010 -7.300 1.00 0.55 H new ATOM 0 HD21 LEU A 62 1.257 -3.367 -9.920 1.00 0.91 H new ATOM 0 HD22 LEU A 62 0.577 -4.386 -8.630 1.00 0.91 H new ATOM 0 HD23 LEU A 62 -0.315 -2.954 -9.196 1.00 0.91 H new ATOM 987 N ALA A 63 -1.647 -3.582 -4.927 1.00 0.25 N ATOM 988 CA ALA A 63 -2.410 -4.659 -4.311 1.00 0.29 C ATOM 989 C ALA A 63 -3.889 -4.402 -4.513 1.00 0.23 C ATOM 990 O ALA A 63 -4.708 -5.320 -4.501 1.00 0.29 O ATOM 991 CB ALA A 63 -2.093 -4.779 -2.832 1.00 0.41 C ATOM 0 H ALA A 63 -1.083 -3.032 -4.279 1.00 0.25 H new ATOM 0 HA ALA A 63 -2.134 -5.600 -4.786 1.00 0.29 H new ATOM 0 HB1 ALA A 63 -2.677 -5.591 -2.399 1.00 0.41 H new ATOM 0 HB2 ALA A 63 -1.031 -4.988 -2.703 1.00 0.41 H new ATOM 0 HB3 ALA A 63 -2.343 -3.845 -2.329 1.00 0.41 H new ATOM 997 N LEU A 64 -4.212 -3.132 -4.713 1.00 0.19 N ATOM 998 CA LEU A 64 -5.589 -2.717 -4.940 1.00 0.22 C ATOM 999 C LEU A 64 -5.940 -2.859 -6.419 1.00 0.27 C ATOM 1000 O LEU A 64 -7.111 -2.868 -6.795 1.00 0.43 O ATOM 1001 CB LEU A 64 -5.794 -1.267 -4.487 1.00 0.31 C ATOM 1002 CG LEU A 64 -6.261 -1.098 -3.039 1.00 0.27 C ATOM 1003 CD1 LEU A 64 -5.094 -0.729 -2.139 1.00 0.57 C ATOM 1004 CD2 LEU A 64 -7.354 -0.042 -2.950 1.00 0.42 C ATOM 0 H LEU A 64 -3.536 -2.368 -4.723 1.00 0.19 H new ATOM 0 HA LEU A 64 -6.247 -3.359 -4.355 1.00 0.22 H new ATOM 0 HB2 LEU A 64 -4.856 -0.727 -4.615 1.00 0.31 H new ATOM 0 HB3 LEU A 64 -6.525 -0.797 -5.145 1.00 0.31 H new ATOM 0 HG LEU A 64 -6.670 -2.049 -2.699 1.00 0.27 H new ATOM 0 HD11 LEU A 64 -5.447 -0.613 -1.114 1.00 0.57 H new ATOM 0 HD12 LEU A 64 -4.342 -1.517 -2.177 1.00 0.57 H new ATOM 0 HD13 LEU A 64 -4.654 0.209 -2.479 1.00 0.57 H new ATOM 0 HD21 LEU A 64 -7.674 0.064 -1.913 1.00 0.42 H new ATOM 0 HD22 LEU A 64 -6.969 0.912 -3.311 1.00 0.42 H new ATOM 0 HD23 LEU A 64 -8.203 -0.345 -3.562 1.00 0.42 H new ATOM 1016 N GLN A 65 -4.908 -2.958 -7.256 1.00 0.22 N ATOM 1017 CA GLN A 65 -5.099 -3.089 -8.698 1.00 0.26 C ATOM 1018 C GLN A 65 -5.675 -4.456 -9.066 1.00 0.25 C ATOM 1019 O GLN A 65 -6.694 -4.538 -9.754 1.00 0.29 O ATOM 1020 CB GLN A 65 -3.770 -2.876 -9.425 1.00 0.29 C ATOM 1021 CG GLN A 65 -3.550 -1.443 -9.880 1.00 0.34 C ATOM 1022 CD GLN A 65 -4.059 -1.193 -11.285 1.00 0.49 C ATOM 1023 OE1 GLN A 65 -3.724 -1.924 -12.217 1.00 1.29 O ATOM 1024 NE2 GLN A 65 -4.871 -0.156 -11.445 1.00 0.54 N ATOM 0 H GLN A 65 -3.932 -2.950 -6.960 1.00 0.22 H new ATOM 0 HA GLN A 65 -5.813 -2.326 -9.009 1.00 0.26 H new ATOM 0 HB2 GLN A 65 -2.953 -3.169 -8.765 1.00 0.29 H new ATOM 0 HB3 GLN A 65 -3.730 -3.534 -10.293 1.00 0.29 H new ATOM 0 HG2 GLN A 65 -4.052 -0.765 -9.190 1.00 0.34 H new ATOM 0 HG3 GLN A 65 -2.486 -1.211 -9.836 1.00 0.34 H new ATOM 0 HE21 GLN A 65 -5.122 0.423 -10.644 1.00 0.54 H new ATOM 0 HE22 GLN A 65 -5.244 0.062 -12.369 1.00 0.54 H new ATOM 1033 N ASP A 66 -5.032 -5.528 -8.603 1.00 0.25 N ATOM 1034 CA ASP A 66 -5.508 -6.878 -8.892 1.00 0.28 C ATOM 1035 C ASP A 66 -6.380 -7.389 -7.754 1.00 0.26 C ATOM 1036 O ASP A 66 -6.851 -8.527 -7.782 1.00 0.37 O ATOM 1037 CB ASP A 66 -4.333 -7.831 -9.117 1.00 0.35 C ATOM 1038 CG ASP A 66 -3.583 -7.533 -10.399 1.00 0.51 C ATOM 1039 OD1 ASP A 66 -3.061 -6.407 -10.533 1.00 0.84 O ATOM 1040 OD2 ASP A 66 -3.513 -8.427 -11.269 1.00 0.75 O ATOM 0 H ASP A 66 -4.188 -5.488 -8.032 1.00 0.25 H new ATOM 0 HA ASP A 66 -6.103 -6.839 -9.804 1.00 0.28 H new ATOM 0 HB2 ASP A 66 -3.646 -7.762 -8.273 1.00 0.35 H new ATOM 0 HB3 ASP A 66 -4.701 -8.857 -9.145 1.00 0.35 H new ATOM 1045 N SER A 67 -6.584 -6.535 -6.756 1.00 0.24 N ATOM 1046 CA SER A 67 -7.395 -6.874 -5.594 1.00 0.25 C ATOM 1047 C SER A 67 -8.696 -7.555 -6.000 1.00 0.43 C ATOM 1048 O SER A 67 -8.962 -8.693 -5.612 1.00 1.15 O ATOM 1049 CB SER A 67 -7.710 -5.612 -4.796 1.00 0.23 C ATOM 1050 OG SER A 67 -8.414 -4.674 -5.588 1.00 1.26 O ATOM 0 H SER A 67 -6.193 -5.593 -6.731 1.00 0.24 H new ATOM 0 HA SER A 67 -6.823 -7.570 -4.980 1.00 0.25 H new ATOM 0 HB2 SER A 67 -8.303 -5.871 -3.919 1.00 0.23 H new ATOM 0 HB3 SER A 67 -6.784 -5.165 -4.434 1.00 0.23 H new ATOM 0 HG SER A 67 -7.817 -4.315 -6.278 1.00 1.26 H new ATOM 1056 N GLY A 68 -9.508 -6.844 -6.774 1.00 0.54 N ATOM 1057 CA GLY A 68 -10.777 -7.387 -7.211 1.00 0.53 C ATOM 1058 C GLY A 68 -11.952 -6.704 -6.536 1.00 0.52 C ATOM 1059 O GLY A 68 -12.304 -5.576 -6.884 1.00 0.69 O ATOM 0 H GLY A 68 -9.308 -5.900 -7.106 1.00 0.54 H new ATOM 0 HA2 GLY A 68 -10.866 -7.276 -8.292 1.00 0.53 H new ATOM 0 HA3 GLY A 68 -10.807 -8.455 -6.997 1.00 0.53 H new ATOM 1063 N LEU A 69 -12.556 -7.383 -5.565 1.00 0.47 N ATOM 1064 CA LEU A 69 -13.694 -6.831 -4.836 1.00 0.48 C ATOM 1065 C LEU A 69 -13.267 -6.366 -3.449 1.00 0.45 C ATOM 1066 O LEU A 69 -12.892 -5.210 -3.251 1.00 0.55 O ATOM 1067 CB LEU A 69 -14.816 -7.870 -4.696 1.00 0.49 C ATOM 1068 CG LEU A 69 -14.985 -8.850 -5.867 1.00 1.04 C ATOM 1069 CD1 LEU A 69 -14.964 -8.118 -7.203 1.00 1.59 C ATOM 1070 CD2 LEU A 69 -13.919 -9.936 -5.829 1.00 1.85 C ATOM 0 H LEU A 69 -12.276 -8.317 -5.265 1.00 0.47 H new ATOM 0 HA LEU A 69 -14.068 -5.980 -5.406 1.00 0.48 H new ATOM 0 HB2 LEU A 69 -14.636 -8.448 -3.789 1.00 0.49 H new ATOM 0 HB3 LEU A 69 -15.758 -7.340 -4.555 1.00 0.49 H new ATOM 0 HG LEU A 69 -15.959 -9.328 -5.761 1.00 1.04 H new ATOM 0 HD11 LEU A 69 -15.086 -8.837 -8.014 1.00 1.59 H new ATOM 0 HD12 LEU A 69 -15.779 -7.394 -7.234 1.00 1.59 H new ATOM 0 HD13 LEU A 69 -14.013 -7.599 -7.318 1.00 1.59 H new ATOM 0 HD21 LEU A 69 -14.062 -10.616 -6.669 1.00 1.85 H new ATOM 0 HD22 LEU A 69 -12.932 -9.479 -5.896 1.00 1.85 H new ATOM 0 HD23 LEU A 69 -13.999 -10.492 -4.895 1.00 1.85 H new ATOM 1082 N GLU A 70 -13.334 -7.285 -2.495 1.00 0.36 N ATOM 1083 CA GLU A 70 -12.966 -7.003 -1.121 1.00 0.33 C ATOM 1084 C GLU A 70 -11.738 -7.816 -0.733 1.00 0.29 C ATOM 1085 O GLU A 70 -11.761 -9.047 -0.771 1.00 0.32 O ATOM 1086 CB GLU A 70 -14.141 -7.335 -0.205 1.00 0.34 C ATOM 1087 CG GLU A 70 -13.893 -7.036 1.254 1.00 0.88 C ATOM 1088 CD GLU A 70 -14.754 -7.885 2.168 1.00 0.89 C ATOM 1089 OE1 GLU A 70 -14.344 -9.022 2.482 1.00 1.13 O ATOM 1090 OE2 GLU A 70 -15.836 -7.411 2.574 1.00 1.31 O ATOM 0 H GLU A 70 -13.645 -8.243 -2.655 1.00 0.36 H new ATOM 0 HA GLU A 70 -12.723 -5.945 -1.017 1.00 0.33 H new ATOM 0 HB2 GLU A 70 -15.015 -6.774 -0.536 1.00 0.34 H new ATOM 0 HB3 GLU A 70 -14.383 -8.393 -0.312 1.00 0.34 H new ATOM 0 HG2 GLU A 70 -12.842 -7.209 1.485 1.00 0.88 H new ATOM 0 HG3 GLU A 70 -14.093 -5.982 1.446 1.00 0.88 H new ATOM 1097 N VAL A 71 -10.664 -7.124 -0.382 1.00 0.26 N ATOM 1098 CA VAL A 71 -9.419 -7.789 -0.015 1.00 0.23 C ATOM 1099 C VAL A 71 -8.762 -7.152 1.201 1.00 0.22 C ATOM 1100 O VAL A 71 -9.192 -6.112 1.683 1.00 0.30 O ATOM 1101 CB VAL A 71 -8.416 -7.756 -1.174 1.00 0.27 C ATOM 1102 CG1 VAL A 71 -8.823 -8.741 -2.259 1.00 0.33 C ATOM 1103 CG2 VAL A 71 -8.313 -6.349 -1.727 1.00 0.41 C ATOM 0 H VAL A 71 -10.628 -6.105 -0.343 1.00 0.26 H new ATOM 0 HA VAL A 71 -9.686 -8.818 0.225 1.00 0.23 H new ATOM 0 HB VAL A 71 -7.435 -8.054 -0.804 1.00 0.27 H new ATOM 0 HG11 VAL A 71 -8.100 -8.704 -3.074 1.00 0.33 H new ATOM 0 HG12 VAL A 71 -8.851 -9.748 -1.844 1.00 0.33 H new ATOM 0 HG13 VAL A 71 -9.810 -8.477 -2.638 1.00 0.33 H new ATOM 0 HG21 VAL A 71 -7.599 -6.333 -2.550 1.00 0.41 H new ATOM 0 HG22 VAL A 71 -9.290 -6.028 -2.088 1.00 0.41 H new ATOM 0 HG23 VAL A 71 -7.976 -5.673 -0.941 1.00 0.41 H new ATOM 1113 N ASN A 72 -7.700 -7.789 1.670 1.00 0.19 N ATOM 1114 CA ASN A 72 -6.942 -7.309 2.812 1.00 0.19 C ATOM 1115 C ASN A 72 -5.619 -6.725 2.338 1.00 0.17 C ATOM 1116 O ASN A 72 -4.744 -7.457 1.875 1.00 0.19 O ATOM 1117 CB ASN A 72 -6.684 -8.458 3.789 1.00 0.22 C ATOM 1118 CG ASN A 72 -7.819 -8.667 4.776 1.00 0.31 C ATOM 1119 OD1 ASN A 72 -7.601 -9.130 5.896 1.00 0.53 O ATOM 1120 ND2 ASN A 72 -9.038 -8.330 4.371 1.00 0.63 N ATOM 0 H ASN A 72 -7.340 -8.655 1.268 1.00 0.19 H new ATOM 0 HA ASN A 72 -7.515 -6.534 3.322 1.00 0.19 H new ATOM 0 HB2 ASN A 72 -6.527 -9.378 3.226 1.00 0.22 H new ATOM 0 HB3 ASN A 72 -5.764 -8.260 4.339 1.00 0.22 H new ATOM 0 HD21 ASN A 72 -9.835 -8.452 4.996 1.00 0.63 H new ATOM 0 HD22 ASN A 72 -9.177 -7.949 3.435 1.00 0.63 H new ATOM 1127 N ILE A 73 -5.469 -5.410 2.446 1.00 0.15 N ATOM 1128 CA ILE A 73 -4.239 -4.764 2.014 1.00 0.15 C ATOM 1129 C ILE A 73 -3.299 -4.524 3.202 1.00 0.16 C ATOM 1130 O ILE A 73 -3.431 -3.573 3.984 1.00 0.17 O ATOM 1131 CB ILE A 73 -4.529 -3.446 1.245 1.00 0.14 C ATOM 1132 CG1 ILE A 73 -4.674 -3.740 -0.255 1.00 0.23 C ATOM 1133 CG2 ILE A 73 -3.434 -2.410 1.464 1.00 0.14 C ATOM 1134 CD1 ILE A 73 -5.562 -4.924 -0.572 1.00 1.11 C ATOM 0 H ILE A 73 -6.175 -4.778 2.824 1.00 0.15 H new ATOM 0 HA ILE A 73 -3.735 -5.438 1.321 1.00 0.15 H new ATOM 0 HB ILE A 73 -5.460 -3.033 1.633 1.00 0.14 H new ATOM 0 HG12 ILE A 73 -5.076 -2.856 -0.750 1.00 0.23 H new ATOM 0 HG13 ILE A 73 -3.685 -3.919 -0.676 1.00 0.23 H new ATOM 0 HG21 ILE A 73 -3.675 -1.503 0.909 1.00 0.14 H new ATOM 0 HG22 ILE A 73 -3.361 -2.177 2.526 1.00 0.14 H new ATOM 0 HG23 ILE A 73 -2.482 -2.808 1.113 1.00 0.14 H new ATOM 0 HD11 ILE A 73 -5.611 -5.063 -1.652 1.00 1.11 H new ATOM 0 HD12 ILE A 73 -5.151 -5.821 -0.109 1.00 1.11 H new ATOM 0 HD13 ILE A 73 -6.564 -4.741 -0.184 1.00 1.11 H new ATOM 1146 N VAL A 74 -2.337 -5.419 3.299 1.00 0.19 N ATOM 1147 CA VAL A 74 -1.329 -5.369 4.346 1.00 0.24 C ATOM 1148 C VAL A 74 -0.151 -4.541 3.869 1.00 0.20 C ATOM 1149 O VAL A 74 0.656 -5.001 3.062 1.00 0.22 O ATOM 1150 CB VAL A 74 -0.844 -6.778 4.755 1.00 0.33 C ATOM 1151 CG1 VAL A 74 -1.280 -7.096 6.178 1.00 1.25 C ATOM 1152 CG2 VAL A 74 -1.355 -7.840 3.792 1.00 1.44 C ATOM 0 H VAL A 74 -2.229 -6.203 2.655 1.00 0.19 H new ATOM 0 HA VAL A 74 -1.783 -4.912 5.225 1.00 0.24 H new ATOM 0 HB VAL A 74 0.245 -6.784 4.711 1.00 0.33 H new ATOM 0 HG11 VAL A 74 -0.931 -8.092 6.452 1.00 1.25 H new ATOM 0 HG12 VAL A 74 -0.854 -6.362 6.862 1.00 1.25 H new ATOM 0 HG13 VAL A 74 -2.368 -7.063 6.241 1.00 1.25 H new ATOM 0 HG21 VAL A 74 -0.996 -8.820 4.107 1.00 1.44 H new ATOM 0 HG22 VAL A 74 -2.445 -7.836 3.791 1.00 1.44 H new ATOM 0 HG23 VAL A 74 -0.990 -7.626 2.787 1.00 1.44 H new ATOM 1162 N THR A 75 -0.076 -3.305 4.344 1.00 0.20 N ATOM 1163 CA THR A 75 0.984 -2.403 3.929 1.00 0.19 C ATOM 1164 C THR A 75 1.595 -1.671 5.101 1.00 0.22 C ATOM 1165 O THR A 75 0.878 -1.102 5.925 1.00 0.30 O ATOM 1166 CB THR A 75 0.451 -1.352 2.937 1.00 0.19 C ATOM 1167 OG1 THR A 75 -0.624 -1.902 2.172 1.00 0.24 O ATOM 1168 CG2 THR A 75 1.553 -0.883 2.005 1.00 0.35 C ATOM 0 H THR A 75 -0.734 -2.907 5.014 1.00 0.20 H new ATOM 0 HA THR A 75 1.746 -3.022 3.455 1.00 0.19 H new ATOM 0 HB THR A 75 0.090 -0.496 3.507 1.00 0.19 H new ATOM 0 HG1 THR A 75 -1.358 -1.255 2.127 1.00 0.24 H new ATOM 0 HG21 THR A 75 1.153 -0.141 1.313 1.00 0.35 H new ATOM 0 HG22 THR A 75 2.359 -0.438 2.589 1.00 0.35 H new ATOM 0 HG23 THR A 75 1.940 -1.733 1.442 1.00 0.35 H new ATOM 1176 N ASP A 76 2.921 -1.641 5.159 1.00 0.19 N ATOM 1177 CA ASP A 76 3.573 -0.917 6.224 1.00 0.22 C ATOM 1178 C ASP A 76 3.483 0.553 5.896 1.00 0.22 C ATOM 1179 O ASP A 76 4.220 1.056 5.054 1.00 0.24 O ATOM 1180 CB ASP A 76 5.037 -1.333 6.370 1.00 0.26 C ATOM 1181 CG ASP A 76 5.236 -2.830 6.221 1.00 0.32 C ATOM 1182 OD1 ASP A 76 4.343 -3.592 6.651 1.00 0.46 O ATOM 1183 OD2 ASP A 76 6.281 -3.239 5.676 1.00 0.80 O ATOM 0 H ASP A 76 3.546 -2.099 4.496 1.00 0.19 H new ATOM 0 HA ASP A 76 3.081 -1.138 7.171 1.00 0.22 H new ATOM 0 HB2 ASP A 76 5.635 -0.814 5.620 1.00 0.26 H new ATOM 0 HB3 ASP A 76 5.405 -1.017 7.346 1.00 0.26 H new ATOM 1188 N SER A 77 2.554 1.234 6.540 1.00 0.27 N ATOM 1189 CA SER A 77 2.355 2.640 6.271 1.00 0.32 C ATOM 1190 C SER A 77 1.584 3.326 7.385 1.00 0.35 C ATOM 1191 O SER A 77 0.355 3.300 7.399 1.00 0.44 O ATOM 1192 CB SER A 77 1.605 2.798 4.953 1.00 0.40 C ATOM 1193 OG SER A 77 0.395 2.059 4.961 1.00 1.28 O ATOM 0 H SER A 77 1.932 0.839 7.246 1.00 0.27 H new ATOM 0 HA SER A 77 3.334 3.114 6.208 1.00 0.32 H new ATOM 0 HB2 SER A 77 1.390 3.852 4.778 1.00 0.40 H new ATOM 0 HB3 SER A 77 2.235 2.461 4.130 1.00 0.40 H new ATOM 0 HG SER A 77 -0.119 2.282 5.765 1.00 1.28 H new ATOM 1199 N GLN A 78 2.299 3.960 8.298 1.00 0.31 N ATOM 1200 CA GLN A 78 1.652 4.673 9.384 1.00 0.34 C ATOM 1201 C GLN A 78 1.121 6.004 8.863 1.00 0.27 C ATOM 1202 O GLN A 78 0.204 6.596 9.435 1.00 0.26 O ATOM 1203 CB GLN A 78 2.627 4.883 10.541 1.00 0.47 C ATOM 1204 CG GLN A 78 3.697 5.927 10.261 1.00 1.04 C ATOM 1205 CD GLN A 78 5.100 5.365 10.371 1.00 1.57 C ATOM 1206 OE1 GLN A 78 5.846 5.701 11.291 1.00 1.97 O ATOM 1207 NE2 GLN A 78 5.466 4.504 9.429 1.00 1.88 N ATOM 0 H GLN A 78 3.318 3.996 8.309 1.00 0.31 H new ATOM 0 HA GLN A 78 0.816 4.084 9.762 1.00 0.34 H new ATOM 0 HB2 GLN A 78 2.066 5.180 11.427 1.00 0.47 H new ATOM 0 HB3 GLN A 78 3.111 3.934 10.773 1.00 0.47 H new ATOM 0 HG2 GLN A 78 3.550 6.334 9.261 1.00 1.04 H new ATOM 0 HG3 GLN A 78 3.585 6.754 10.962 1.00 1.04 H new ATOM 0 HE21 GLN A 78 4.814 4.254 8.685 1.00 1.88 H new ATOM 0 HE22 GLN A 78 6.399 4.092 9.449 1.00 1.88 H new ATOM 1216 N TYR A 79 1.683 6.441 7.736 1.00 0.27 N ATOM 1217 CA TYR A 79 1.254 7.674 7.098 1.00 0.28 C ATOM 1218 C TYR A 79 0.017 7.385 6.270 1.00 0.23 C ATOM 1219 O TYR A 79 -1.005 8.048 6.431 1.00 0.23 O ATOM 1220 CB TYR A 79 2.358 8.263 6.221 1.00 0.37 C ATOM 1221 CG TYR A 79 2.954 9.540 6.768 1.00 0.59 C ATOM 1222 CD1 TYR A 79 2.375 10.772 6.495 1.00 0.86 C ATOM 1223 CD2 TYR A 79 4.096 9.510 7.560 1.00 0.85 C ATOM 1224 CE1 TYR A 79 2.918 11.940 6.995 1.00 1.07 C ATOM 1225 CE2 TYR A 79 4.643 10.674 8.063 1.00 1.07 C ATOM 1226 CZ TYR A 79 4.048 11.889 7.774 1.00 1.08 C ATOM 1227 OH TYR A 79 4.594 13.046 8.279 1.00 1.33 O ATOM 0 H TYR A 79 2.437 5.955 7.250 1.00 0.27 H new ATOM 0 HA TYR A 79 1.026 8.412 7.867 1.00 0.28 H new ATOM 0 HB2 TYR A 79 3.150 7.524 6.105 1.00 0.37 H new ATOM 0 HB3 TYR A 79 1.955 8.457 5.227 1.00 0.37 H new ATOM 0 HD1 TYR A 79 1.487 10.818 5.883 1.00 0.86 H new ATOM 0 HD2 TYR A 79 4.562 8.562 7.785 1.00 0.85 H new ATOM 0 HE1 TYR A 79 2.455 12.890 6.774 1.00 1.07 H new ATOM 0 HE2 TYR A 79 5.530 10.636 8.678 1.00 1.07 H new ATOM 0 HH TYR A 79 5.389 12.828 8.809 1.00 1.33 H new ATOM 1237 N ALA A 80 0.091 6.356 5.416 1.00 0.22 N ATOM 1238 CA ALA A 80 -1.068 5.973 4.629 1.00 0.27 C ATOM 1239 C ALA A 80 -2.194 5.685 5.591 1.00 0.24 C ATOM 1240 O ALA A 80 -3.340 6.067 5.376 1.00 0.34 O ATOM 1241 CB ALA A 80 -0.781 4.748 3.780 1.00 0.34 C ATOM 0 H ALA A 80 0.925 5.790 5.260 1.00 0.22 H new ATOM 0 HA ALA A 80 -1.333 6.781 3.947 1.00 0.27 H new ATOM 0 HB1 ALA A 80 -1.669 4.488 3.204 1.00 0.34 H new ATOM 0 HB2 ALA A 80 0.043 4.962 3.100 1.00 0.34 H new ATOM 0 HB3 ALA A 80 -0.511 3.913 4.426 1.00 0.34 H new ATOM 1247 N LEU A 81 -1.834 5.023 6.680 1.00 0.17 N ATOM 1248 CA LEU A 81 -2.784 4.696 7.717 1.00 0.21 C ATOM 1249 C LEU A 81 -3.543 5.945 8.144 1.00 0.18 C ATOM 1250 O LEU A 81 -4.736 5.896 8.426 1.00 0.24 O ATOM 1251 CB LEU A 81 -2.068 4.090 8.920 1.00 0.26 C ATOM 1252 CG LEU A 81 -2.377 2.615 9.181 1.00 0.85 C ATOM 1253 CD1 LEU A 81 -2.200 1.803 7.906 1.00 1.60 C ATOM 1254 CD2 LEU A 81 -1.487 2.072 10.288 1.00 1.83 C ATOM 0 H LEU A 81 -0.883 4.703 6.863 1.00 0.17 H new ATOM 0 HA LEU A 81 -3.491 3.966 7.323 1.00 0.21 H new ATOM 0 HB2 LEU A 81 -0.993 4.201 8.778 1.00 0.26 H new ATOM 0 HB3 LEU A 81 -2.333 4.664 9.808 1.00 0.26 H new ATOM 0 HG LEU A 81 -3.415 2.530 9.503 1.00 0.85 H new ATOM 0 HD11 LEU A 81 -2.423 0.755 8.108 1.00 1.60 H new ATOM 0 HD12 LEU A 81 -2.878 2.177 7.139 1.00 1.60 H new ATOM 0 HD13 LEU A 81 -1.171 1.894 7.557 1.00 1.60 H new ATOM 0 HD21 LEU A 81 -1.721 1.021 10.460 1.00 1.83 H new ATOM 0 HD22 LEU A 81 -0.442 2.168 9.994 1.00 1.83 H new ATOM 0 HD23 LEU A 81 -1.660 2.637 11.204 1.00 1.83 H new ATOM 1266 N GLY A 82 -2.833 7.068 8.186 1.00 0.13 N ATOM 1267 CA GLY A 82 -3.448 8.324 8.575 1.00 0.16 C ATOM 1268 C GLY A 82 -4.210 8.989 7.440 1.00 0.17 C ATOM 1269 O GLY A 82 -5.265 9.583 7.664 1.00 0.20 O ATOM 0 H GLY A 82 -1.841 7.131 7.957 1.00 0.13 H new ATOM 0 HA2 GLY A 82 -4.129 8.146 9.407 1.00 0.16 H new ATOM 0 HA3 GLY A 82 -2.676 9.004 8.934 1.00 0.16 H new ATOM 1273 N ILE A 83 -3.671 8.908 6.222 1.00 0.17 N ATOM 1274 CA ILE A 83 -4.314 9.531 5.063 1.00 0.19 C ATOM 1275 C ILE A 83 -5.295 8.585 4.374 1.00 0.20 C ATOM 1276 O ILE A 83 -6.482 8.885 4.270 1.00 0.22 O ATOM 1277 CB ILE A 83 -3.270 9.996 4.029 1.00 0.24 C ATOM 1278 CG1 ILE A 83 -1.980 10.438 4.728 1.00 0.33 C ATOM 1279 CG2 ILE A 83 -3.838 11.120 3.178 1.00 0.44 C ATOM 1280 CD1 ILE A 83 -2.161 11.611 5.672 1.00 1.30 C ATOM 0 H ILE A 83 -2.799 8.422 6.013 1.00 0.17 H new ATOM 0 HA ILE A 83 -4.863 10.391 5.446 1.00 0.19 H new ATOM 0 HB ILE A 83 -3.029 9.158 3.375 1.00 0.24 H new ATOM 0 HG12 ILE A 83 -1.574 9.595 5.287 1.00 0.33 H new ATOM 0 HG13 ILE A 83 -1.242 10.704 3.972 1.00 0.33 H new ATOM 0 HG21 ILE A 83 -3.091 11.440 2.452 1.00 0.44 H new ATOM 0 HG22 ILE A 83 -4.726 10.766 2.654 1.00 0.44 H new ATOM 0 HG23 ILE A 83 -4.105 11.961 3.818 1.00 0.44 H new ATOM 0 HD11 ILE A 83 -1.203 11.863 6.127 1.00 1.30 H new ATOM 0 HD12 ILE A 83 -2.536 12.470 5.117 1.00 1.30 H new ATOM 0 HD13 ILE A 83 -2.874 11.344 6.452 1.00 1.30 H new ATOM 1292 N ILE A 84 -4.784 7.452 3.900 1.00 0.19 N ATOM 1293 CA ILE A 84 -5.596 6.450 3.206 1.00 0.21 C ATOM 1294 C ILE A 84 -6.868 6.106 3.992 1.00 0.26 C ATOM 1295 O ILE A 84 -7.922 5.865 3.401 1.00 0.35 O ATOM 1296 CB ILE A 84 -4.773 5.160 2.934 1.00 0.23 C ATOM 1297 CG1 ILE A 84 -4.695 4.879 1.427 1.00 0.26 C ATOM 1298 CG2 ILE A 84 -5.351 3.958 3.674 1.00 0.40 C ATOM 1299 CD1 ILE A 84 -6.028 4.528 0.800 1.00 0.58 C ATOM 0 H ILE A 84 -3.799 7.201 3.984 1.00 0.19 H new ATOM 0 HA ILE A 84 -5.896 6.885 2.253 1.00 0.21 H new ATOM 0 HB ILE A 84 -3.764 5.326 3.312 1.00 0.23 H new ATOM 0 HG12 ILE A 84 -4.287 5.756 0.924 1.00 0.26 H new ATOM 0 HG13 ILE A 84 -3.997 4.060 1.255 1.00 0.26 H new ATOM 0 HG21 ILE A 84 -4.749 3.075 3.459 1.00 0.40 H new ATOM 0 HG22 ILE A 84 -5.341 4.152 4.747 1.00 0.40 H new ATOM 0 HG23 ILE A 84 -6.376 3.787 3.346 1.00 0.40 H new ATOM 0 HD11 ILE A 84 -5.892 4.343 -0.266 1.00 0.58 H new ATOM 0 HD12 ILE A 84 -6.429 3.633 1.275 1.00 0.58 H new ATOM 0 HD13 ILE A 84 -6.724 5.355 0.939 1.00 0.58 H new ATOM 1311 N GLN A 85 -6.766 6.084 5.320 1.00 0.27 N ATOM 1312 CA GLN A 85 -7.913 5.767 6.170 1.00 0.31 C ATOM 1313 C GLN A 85 -8.905 6.922 6.195 1.00 0.32 C ATOM 1314 O GLN A 85 -10.096 6.728 6.440 1.00 0.40 O ATOM 1315 CB GLN A 85 -7.457 5.464 7.598 1.00 0.33 C ATOM 1316 CG GLN A 85 -7.169 3.996 7.857 1.00 0.49 C ATOM 1317 CD GLN A 85 -6.800 3.718 9.300 1.00 0.60 C ATOM 1318 OE1 GLN A 85 -6.429 4.626 10.045 1.00 1.11 O ATOM 1319 NE2 GLN A 85 -6.901 2.457 9.705 1.00 0.86 N ATOM 0 H GLN A 85 -5.905 6.281 5.829 1.00 0.27 H new ATOM 0 HA GLN A 85 -8.401 4.887 5.752 1.00 0.31 H new ATOM 0 HB2 GLN A 85 -6.559 6.043 7.812 1.00 0.33 H new ATOM 0 HB3 GLN A 85 -8.226 5.801 8.293 1.00 0.33 H new ATOM 0 HG2 GLN A 85 -8.045 3.405 7.590 1.00 0.49 H new ATOM 0 HG3 GLN A 85 -6.356 3.670 7.209 1.00 0.49 H new ATOM 0 HE21 GLN A 85 -7.213 1.736 9.054 1.00 0.86 H new ATOM 0 HE22 GLN A 85 -6.667 2.210 10.667 1.00 0.86 H new ATOM 1328 N ALA A 86 -8.399 8.124 5.960 1.00 0.30 N ATOM 1329 CA ALA A 86 -9.233 9.319 5.973 1.00 0.33 C ATOM 1330 C ALA A 86 -9.778 9.649 4.592 1.00 0.33 C ATOM 1331 O ALA A 86 -9.966 10.823 4.267 1.00 0.52 O ATOM 1332 CB ALA A 86 -8.449 10.499 6.526 1.00 0.38 C ATOM 0 H ALA A 86 -7.415 8.299 5.758 1.00 0.30 H new ATOM 0 HA ALA A 86 -10.086 9.117 6.620 1.00 0.33 H new ATOM 0 HB1 ALA A 86 -9.082 11.386 6.531 1.00 0.38 H new ATOM 0 HB2 ALA A 86 -8.127 10.277 7.543 1.00 0.38 H new ATOM 0 HB3 ALA A 86 -7.575 10.680 5.900 1.00 0.38 H new ATOM 1338 N GLN A 87 -10.039 8.619 3.786 1.00 0.31 N ATOM 1339 CA GLN A 87 -10.566 8.831 2.441 1.00 0.31 C ATOM 1340 C GLN A 87 -9.835 9.970 1.800 1.00 0.31 C ATOM 1341 O GLN A 87 -10.398 11.043 1.581 1.00 0.35 O ATOM 1342 CB GLN A 87 -12.069 9.113 2.487 1.00 0.37 C ATOM 1343 CG GLN A 87 -12.917 7.857 2.580 1.00 0.71 C ATOM 1344 CD GLN A 87 -12.760 7.130 3.900 1.00 0.99 C ATOM 1345 OE1 GLN A 87 -13.703 7.037 4.686 1.00 1.63 O ATOM 1346 NE2 GLN A 87 -11.563 6.613 4.156 1.00 1.08 N ATOM 0 H GLN A 87 -9.896 7.641 4.039 1.00 0.31 H new ATOM 0 HA GLN A 87 -10.415 7.928 1.850 1.00 0.31 H new ATOM 0 HB2 GLN A 87 -12.285 9.752 3.343 1.00 0.37 H new ATOM 0 HB3 GLN A 87 -12.354 9.669 1.594 1.00 0.37 H new ATOM 0 HG2 GLN A 87 -13.965 8.122 2.441 1.00 0.71 H new ATOM 0 HG3 GLN A 87 -12.648 7.183 1.767 1.00 0.71 H new ATOM 0 HE21 GLN A 87 -10.809 6.713 3.477 1.00 1.08 H new ATOM 0 HE22 GLN A 87 -11.399 6.116 5.032 1.00 1.08 H new ATOM 1355 N PRO A 88 -8.554 9.752 1.484 1.00 0.29 N ATOM 1356 CA PRO A 88 -7.759 10.772 0.859 1.00 0.31 C ATOM 1357 C PRO A 88 -8.437 11.210 -0.415 1.00 0.42 C ATOM 1358 O PRO A 88 -9.243 12.138 -0.395 1.00 0.99 O ATOM 1359 CB PRO A 88 -6.399 10.108 0.611 1.00 0.37 C ATOM 1360 CG PRO A 88 -6.648 8.646 0.739 1.00 0.31 C ATOM 1361 CD PRO A 88 -7.803 8.505 1.691 1.00 0.27 C ATOM 0 HA PRO A 88 -7.636 11.672 1.462 1.00 0.31 H new ATOM 0 HB2 PRO A 88 -6.014 10.357 -0.378 1.00 0.37 H new ATOM 0 HB3 PRO A 88 -5.658 10.446 1.335 1.00 0.37 H new ATOM 0 HG2 PRO A 88 -6.884 8.204 -0.229 1.00 0.31 H new ATOM 0 HG3 PRO A 88 -5.765 8.131 1.118 1.00 0.31 H new ATOM 0 HD2 PRO A 88 -8.408 7.627 1.465 1.00 0.27 H new ATOM 0 HD3 PRO A 88 -7.466 8.403 2.723 1.00 0.27 H new ATOM 1369 N ASP A 89 -8.145 10.522 -1.510 1.00 0.52 N ATOM 1370 CA ASP A 89 -8.751 10.823 -2.800 1.00 0.49 C ATOM 1371 C ASP A 89 -8.459 12.251 -3.251 1.00 0.46 C ATOM 1372 O ASP A 89 -8.587 12.579 -4.431 1.00 0.46 O ATOM 1373 CB ASP A 89 -10.261 10.585 -2.753 1.00 0.51 C ATOM 1374 CG ASP A 89 -10.841 10.278 -4.120 1.00 1.49 C ATOM 1375 OD1 ASP A 89 -10.297 9.390 -4.811 1.00 2.17 O ATOM 1376 OD2 ASP A 89 -11.837 10.927 -4.501 1.00 1.87 O ATOM 0 H ASP A 89 -7.486 9.744 -1.530 1.00 0.52 H new ATOM 0 HA ASP A 89 -8.304 10.148 -3.530 1.00 0.49 H new ATOM 0 HB2 ASP A 89 -10.475 9.757 -2.077 1.00 0.51 H new ATOM 0 HB3 ASP A 89 -10.752 11.467 -2.343 1.00 0.51 H new ATOM 1381 N GLN A 90 -8.068 13.092 -2.303 1.00 0.47 N ATOM 1382 CA GLN A 90 -7.755 14.487 -2.582 1.00 0.48 C ATOM 1383 C GLN A 90 -7.214 15.169 -1.331 1.00 0.47 C ATOM 1384 O GLN A 90 -7.108 16.394 -1.272 1.00 0.54 O ATOM 1385 CB GLN A 90 -8.999 15.227 -3.088 1.00 0.51 C ATOM 1386 CG GLN A 90 -10.208 15.090 -2.185 1.00 0.68 C ATOM 1387 CD GLN A 90 -10.960 13.791 -2.406 1.00 0.76 C ATOM 1388 OE1 GLN A 90 -11.228 13.404 -3.543 1.00 1.67 O ATOM 1389 NE2 GLN A 90 -11.308 13.111 -1.318 1.00 0.58 N ATOM 0 H GLN A 90 -7.959 12.828 -1.324 1.00 0.47 H new ATOM 0 HA GLN A 90 -6.991 14.518 -3.359 1.00 0.48 H new ATOM 0 HB2 GLN A 90 -8.760 16.285 -3.199 1.00 0.51 H new ATOM 0 HB3 GLN A 90 -9.254 14.852 -4.079 1.00 0.51 H new ATOM 0 HG2 GLN A 90 -9.888 15.147 -1.145 1.00 0.68 H new ATOM 0 HG3 GLN A 90 -10.882 15.929 -2.357 1.00 0.68 H new ATOM 0 HE21 GLN A 90 -11.066 13.468 -0.394 1.00 0.58 H new ATOM 0 HE22 GLN A 90 -11.817 12.232 -1.407 1.00 0.58 H new ATOM 1398 N SER A 91 -6.876 14.360 -0.329 1.00 0.41 N ATOM 1399 CA SER A 91 -6.347 14.875 0.928 1.00 0.42 C ATOM 1400 C SER A 91 -4.901 14.434 1.140 1.00 0.37 C ATOM 1401 O SER A 91 -4.554 13.273 0.919 1.00 0.33 O ATOM 1402 CB SER A 91 -7.212 14.402 2.099 1.00 0.45 C ATOM 1403 OG SER A 91 -6.744 13.168 2.616 1.00 1.34 O ATOM 0 H SER A 91 -6.960 13.344 -0.365 1.00 0.41 H new ATOM 0 HA SER A 91 -6.369 15.964 0.880 1.00 0.42 H new ATOM 0 HB2 SER A 91 -7.206 15.155 2.887 1.00 0.45 H new ATOM 0 HB3 SER A 91 -8.246 14.293 1.770 1.00 0.45 H new ATOM 0 HG SER A 91 -7.313 12.890 3.364 1.00 1.34 H new ATOM 1409 N GLU A 92 -4.068 15.372 1.579 1.00 0.43 N ATOM 1410 CA GLU A 92 -2.657 15.104 1.838 1.00 0.41 C ATOM 1411 C GLU A 92 -1.971 14.461 0.631 1.00 0.37 C ATOM 1412 O GLU A 92 -2.045 14.982 -0.482 1.00 0.41 O ATOM 1413 CB GLU A 92 -2.500 14.221 3.076 1.00 0.38 C ATOM 1414 CG GLU A 92 -1.271 14.554 3.908 1.00 0.43 C ATOM 1415 CD GLU A 92 -1.623 15.175 5.246 1.00 0.98 C ATOM 1416 OE1 GLU A 92 -2.758 14.957 5.722 1.00 1.38 O ATOM 1417 OE2 GLU A 92 -0.765 15.879 5.818 1.00 1.49 O ATOM 0 H GLU A 92 -4.350 16.335 1.765 1.00 0.43 H new ATOM 0 HA GLU A 92 -2.168 16.061 2.022 1.00 0.41 H new ATOM 0 HB2 GLU A 92 -3.389 14.322 3.699 1.00 0.38 H new ATOM 0 HB3 GLU A 92 -2.446 13.178 2.764 1.00 0.38 H new ATOM 0 HG2 GLU A 92 -0.692 13.645 4.074 1.00 0.43 H new ATOM 0 HG3 GLU A 92 -0.634 15.240 3.350 1.00 0.43 H new ATOM 1424 N SER A 93 -1.292 13.335 0.866 1.00 0.31 N ATOM 1425 CA SER A 93 -0.582 12.623 -0.185 1.00 0.29 C ATOM 1426 C SER A 93 -1.430 12.504 -1.450 1.00 0.26 C ATOM 1427 O SER A 93 -2.647 12.338 -1.382 1.00 0.26 O ATOM 1428 CB SER A 93 -0.178 11.234 0.317 1.00 0.28 C ATOM 1429 OG SER A 93 1.232 11.107 0.388 1.00 1.05 O ATOM 0 H SER A 93 -1.223 12.899 1.785 1.00 0.31 H new ATOM 0 HA SER A 93 0.312 13.192 -0.440 1.00 0.29 H new ATOM 0 HB2 SER A 93 -0.612 11.059 1.302 1.00 0.28 H new ATOM 0 HB3 SER A 93 -0.582 10.472 -0.349 1.00 0.28 H new ATOM 0 HG SER A 93 1.604 11.081 -0.518 1.00 1.05 H new ATOM 1435 N GLU A 94 -0.776 12.598 -2.604 1.00 0.27 N ATOM 1436 CA GLU A 94 -1.465 12.500 -3.887 1.00 0.25 C ATOM 1437 C GLU A 94 -1.664 11.039 -4.274 1.00 0.22 C ATOM 1438 O GLU A 94 -2.585 10.694 -5.016 1.00 0.21 O ATOM 1439 CB GLU A 94 -0.667 13.229 -4.972 1.00 0.29 C ATOM 1440 CG GLU A 94 0.625 12.529 -5.356 1.00 1.17 C ATOM 1441 CD GLU A 94 1.855 13.354 -5.029 1.00 2.09 C ATOM 1442 OE1 GLU A 94 1.797 14.593 -5.180 1.00 2.12 O ATOM 1443 OE2 GLU A 94 2.876 12.761 -4.621 1.00 3.06 O ATOM 0 H GLU A 94 0.231 12.742 -2.677 1.00 0.27 H new ATOM 0 HA GLU A 94 -2.443 12.971 -3.792 1.00 0.25 H new ATOM 0 HB2 GLU A 94 -1.290 13.334 -5.860 1.00 0.29 H new ATOM 0 HB3 GLU A 94 -0.435 14.236 -4.625 1.00 0.29 H new ATOM 0 HG2 GLU A 94 0.684 11.573 -4.836 1.00 1.17 H new ATOM 0 HG3 GLU A 94 0.612 12.310 -6.424 1.00 1.17 H new ATOM 1450 N LEU A 95 -0.786 10.185 -3.759 1.00 0.26 N ATOM 1451 CA LEU A 95 -0.842 8.760 -4.034 1.00 0.28 C ATOM 1452 C LEU A 95 -2.099 8.144 -3.451 1.00 0.25 C ATOM 1453 O LEU A 95 -2.855 7.465 -4.148 1.00 0.28 O ATOM 1454 CB LEU A 95 0.374 8.076 -3.428 1.00 0.34 C ATOM 1455 CG LEU A 95 1.127 7.116 -4.357 1.00 0.76 C ATOM 1456 CD1 LEU A 95 1.355 7.745 -5.727 1.00 1.74 C ATOM 1457 CD2 LEU A 95 2.455 6.716 -3.739 1.00 1.01 C ATOM 0 H LEU A 95 -0.021 10.462 -3.143 1.00 0.26 H new ATOM 0 HA LEU A 95 -0.852 8.621 -5.115 1.00 0.28 H new ATOM 0 HB2 LEU A 95 1.069 8.844 -3.089 1.00 0.34 H new ATOM 0 HB3 LEU A 95 0.055 7.523 -2.545 1.00 0.34 H new ATOM 0 HG LEU A 95 0.514 6.224 -4.488 1.00 0.76 H new ATOM 0 HD11 LEU A 95 1.891 7.042 -6.365 1.00 1.74 H new ATOM 0 HD12 LEU A 95 0.394 7.987 -6.181 1.00 1.74 H new ATOM 0 HD13 LEU A 95 1.943 8.656 -5.616 1.00 1.74 H new ATOM 0 HD21 LEU A 95 2.978 6.034 -4.410 1.00 1.01 H new ATOM 0 HD22 LEU A 95 3.064 7.606 -3.578 1.00 1.01 H new ATOM 0 HD23 LEU A 95 2.278 6.220 -2.785 1.00 1.01 H new ATOM 1469 N VAL A 96 -2.311 8.388 -2.164 1.00 0.23 N ATOM 1470 CA VAL A 96 -3.473 7.862 -1.468 1.00 0.23 C ATOM 1471 C VAL A 96 -4.748 8.212 -2.224 1.00 0.25 C ATOM 1472 O VAL A 96 -5.768 7.538 -2.088 1.00 0.30 O ATOM 1473 CB VAL A 96 -3.568 8.419 -0.035 1.00 0.23 C ATOM 1474 CG1 VAL A 96 -2.744 7.592 0.933 1.00 0.33 C ATOM 1475 CG2 VAL A 96 -3.145 9.876 0.005 1.00 0.31 C ATOM 0 H VAL A 96 -1.690 8.949 -1.581 1.00 0.23 H new ATOM 0 HA VAL A 96 -3.360 6.779 -1.417 1.00 0.23 H new ATOM 0 HB VAL A 96 -4.610 8.356 0.278 1.00 0.23 H new ATOM 0 HG11 VAL A 96 -2.832 8.011 1.936 1.00 0.33 H new ATOM 0 HG12 VAL A 96 -3.108 6.565 0.936 1.00 0.33 H new ATOM 0 HG13 VAL A 96 -1.699 7.605 0.625 1.00 0.33 H new ATOM 0 HG21 VAL A 96 -3.220 10.249 1.027 1.00 0.31 H new ATOM 0 HG22 VAL A 96 -2.115 9.965 -0.339 1.00 0.31 H new ATOM 0 HG23 VAL A 96 -3.796 10.462 -0.644 1.00 0.31 H new ATOM 1485 N ASN A 97 -4.674 9.265 -3.033 1.00 0.23 N ATOM 1486 CA ASN A 97 -5.814 9.705 -3.825 1.00 0.25 C ATOM 1487 C ASN A 97 -6.104 8.715 -4.947 1.00 0.25 C ATOM 1488 O ASN A 97 -7.236 8.256 -5.106 1.00 0.30 O ATOM 1489 CB ASN A 97 -5.550 11.094 -4.411 1.00 0.27 C ATOM 1490 CG ASN A 97 -5.339 12.151 -3.340 1.00 0.46 C ATOM 1491 OD1 ASN A 97 -4.815 13.230 -3.616 1.00 0.85 O ATOM 1492 ND2 ASN A 97 -5.745 11.848 -2.111 1.00 0.44 N ATOM 0 H ASN A 97 -3.833 9.829 -3.156 1.00 0.23 H new ATOM 0 HA ASN A 97 -6.684 9.755 -3.171 1.00 0.25 H new ATOM 0 HB2 ASN A 97 -4.670 11.052 -5.053 1.00 0.27 H new ATOM 0 HB3 ASN A 97 -6.391 11.384 -5.041 1.00 0.27 H new ATOM 0 HD21 ASN A 97 -5.627 12.522 -1.354 1.00 0.44 H new ATOM 0 HD22 ASN A 97 -6.175 10.942 -1.925 1.00 0.44 H new ATOM 1499 N GLN A 98 -5.073 8.390 -5.720 1.00 0.25 N ATOM 1500 CA GLN A 98 -5.212 7.451 -6.827 1.00 0.27 C ATOM 1501 C GLN A 98 -5.742 6.106 -6.332 1.00 0.28 C ATOM 1502 O GLN A 98 -6.505 5.431 -7.027 1.00 0.32 O ATOM 1503 CB GLN A 98 -3.861 7.257 -7.523 1.00 0.31 C ATOM 1504 CG GLN A 98 -3.829 6.082 -8.488 1.00 0.62 C ATOM 1505 CD GLN A 98 -3.681 6.516 -9.933 1.00 1.03 C ATOM 1506 OE1 GLN A 98 -3.640 7.709 -10.235 1.00 1.85 O ATOM 1507 NE2 GLN A 98 -3.603 5.546 -10.837 1.00 1.52 N ATOM 0 H GLN A 98 -4.131 8.763 -5.600 1.00 0.25 H new ATOM 0 HA GLN A 98 -5.927 7.862 -7.540 1.00 0.27 H new ATOM 0 HB2 GLN A 98 -3.609 8.168 -8.066 1.00 0.31 H new ATOM 0 HB3 GLN A 98 -3.090 7.114 -6.766 1.00 0.31 H new ATOM 0 HG2 GLN A 98 -3.002 5.423 -8.224 1.00 0.62 H new ATOM 0 HG3 GLN A 98 -4.746 5.502 -8.379 1.00 0.62 H new ATOM 0 HE21 GLN A 98 -3.641 4.570 -10.543 1.00 1.52 H new ATOM 0 HE22 GLN A 98 -3.505 5.777 -11.826 1.00 1.52 H new ATOM 1516 N ILE A 99 -5.332 5.728 -5.128 1.00 0.28 N ATOM 1517 CA ILE A 99 -5.758 4.468 -4.536 1.00 0.32 C ATOM 1518 C ILE A 99 -7.241 4.494 -4.190 1.00 0.32 C ATOM 1519 O ILE A 99 -7.939 3.492 -4.343 1.00 0.43 O ATOM 1520 CB ILE A 99 -4.942 4.147 -3.267 1.00 0.36 C ATOM 1521 CG1 ILE A 99 -3.469 3.950 -3.626 1.00 0.35 C ATOM 1522 CG2 ILE A 99 -5.496 2.911 -2.572 1.00 0.48 C ATOM 1523 CD1 ILE A 99 -2.525 4.758 -2.764 1.00 0.43 C ATOM 0 H ILE A 99 -4.704 6.278 -4.542 1.00 0.28 H new ATOM 0 HA ILE A 99 -5.582 3.690 -5.278 1.00 0.32 H new ATOM 0 HB ILE A 99 -5.023 4.987 -2.578 1.00 0.36 H new ATOM 0 HG12 ILE A 99 -3.219 2.893 -3.533 1.00 0.35 H new ATOM 0 HG13 ILE A 99 -3.318 4.223 -4.671 1.00 0.35 H new ATOM 0 HG21 ILE A 99 -4.907 2.701 -1.679 1.00 0.48 H new ATOM 0 HG22 ILE A 99 -6.534 3.087 -2.289 1.00 0.48 H new ATOM 0 HG23 ILE A 99 -5.444 2.059 -3.250 1.00 0.48 H new ATOM 0 HD11 ILE A 99 -1.497 4.569 -3.074 1.00 0.43 H new ATOM 0 HD12 ILE A 99 -2.749 5.819 -2.875 1.00 0.43 H new ATOM 0 HD13 ILE A 99 -2.648 4.469 -1.720 1.00 0.43 H new ATOM 1535 N ILE A 100 -7.718 5.643 -3.724 1.00 0.28 N ATOM 1536 CA ILE A 100 -9.120 5.782 -3.358 1.00 0.30 C ATOM 1537 C ILE A 100 -10.023 5.610 -4.561 1.00 0.28 C ATOM 1538 O ILE A 100 -10.949 4.808 -4.530 1.00 0.29 O ATOM 1539 CB ILE A 100 -9.419 7.145 -2.716 1.00 0.33 C ATOM 1540 CG1 ILE A 100 -8.694 7.275 -1.377 1.00 0.35 C ATOM 1541 CG2 ILE A 100 -10.920 7.312 -2.536 1.00 0.37 C ATOM 1542 CD1 ILE A 100 -8.708 6.011 -0.541 1.00 0.32 C ATOM 0 H ILE A 100 -7.158 6.485 -3.592 1.00 0.28 H new ATOM 0 HA ILE A 100 -9.319 4.996 -2.630 1.00 0.30 H new ATOM 0 HB ILE A 100 -9.056 7.935 -3.374 1.00 0.33 H new ATOM 0 HG12 ILE A 100 -7.659 7.564 -1.563 1.00 0.35 H new ATOM 0 HG13 ILE A 100 -9.152 8.082 -0.805 1.00 0.35 H new ATOM 0 HG21 ILE A 100 -11.126 8.280 -2.080 1.00 0.37 H new ATOM 0 HG22 ILE A 100 -11.411 7.256 -3.507 1.00 0.37 H new ATOM 0 HG23 ILE A 100 -11.300 6.519 -1.891 1.00 0.37 H new ATOM 0 HD11 ILE A 100 -8.173 6.186 0.392 1.00 0.32 H new ATOM 0 HD12 ILE A 100 -9.738 5.731 -0.322 1.00 0.32 H new ATOM 0 HD13 ILE A 100 -8.222 5.205 -1.092 1.00 0.32 H new ATOM 1554 N GLU A 101 -9.756 6.369 -5.617 1.00 0.28 N ATOM 1555 CA GLU A 101 -10.559 6.286 -6.828 1.00 0.27 C ATOM 1556 C GLU A 101 -10.728 4.826 -7.233 1.00 0.25 C ATOM 1557 O GLU A 101 -11.803 4.407 -7.668 1.00 0.23 O ATOM 1558 CB GLU A 101 -9.909 7.088 -7.954 1.00 0.31 C ATOM 1559 CG GLU A 101 -10.024 8.593 -7.764 1.00 0.42 C ATOM 1560 CD GLU A 101 -10.322 9.323 -9.059 1.00 0.54 C ATOM 1561 OE1 GLU A 101 -9.374 9.559 -9.840 1.00 1.09 O ATOM 1562 OE2 GLU A 101 -11.501 9.660 -9.293 1.00 0.93 O ATOM 0 H GLU A 101 -8.993 7.045 -5.658 1.00 0.28 H new ATOM 0 HA GLU A 101 -11.543 6.713 -6.634 1.00 0.27 H new ATOM 0 HB2 GLU A 101 -8.856 6.817 -8.023 1.00 0.31 H new ATOM 0 HB3 GLU A 101 -10.372 6.812 -8.901 1.00 0.31 H new ATOM 0 HG2 GLU A 101 -10.812 8.805 -7.042 1.00 0.42 H new ATOM 0 HG3 GLU A 101 -9.094 8.974 -7.342 1.00 0.42 H new ATOM 1569 N GLN A 102 -9.663 4.049 -7.055 1.00 0.27 N ATOM 1570 CA GLN A 102 -9.694 2.629 -7.373 1.00 0.28 C ATOM 1571 C GLN A 102 -10.468 1.867 -6.303 1.00 0.26 C ATOM 1572 O GLN A 102 -11.069 0.826 -6.572 1.00 0.28 O ATOM 1573 CB GLN A 102 -8.272 2.081 -7.491 1.00 0.35 C ATOM 1574 CG GLN A 102 -8.049 1.201 -8.714 1.00 0.56 C ATOM 1575 CD GLN A 102 -8.640 1.790 -9.982 1.00 0.85 C ATOM 1576 OE1 GLN A 102 -9.214 1.075 -10.802 1.00 1.85 O ATOM 1577 NE2 GLN A 102 -8.502 3.101 -10.148 1.00 0.67 N ATOM 0 H GLN A 102 -8.769 4.381 -6.692 1.00 0.27 H new ATOM 0 HA GLN A 102 -10.198 2.496 -8.330 1.00 0.28 H new ATOM 0 HB2 GLN A 102 -7.573 2.917 -7.524 1.00 0.35 H new ATOM 0 HB3 GLN A 102 -8.039 1.506 -6.595 1.00 0.35 H new ATOM 0 HG2 GLN A 102 -6.979 1.048 -8.855 1.00 0.56 H new ATOM 0 HG3 GLN A 102 -8.490 0.220 -8.535 1.00 0.56 H new ATOM 0 HE21 GLN A 102 -8.018 3.656 -9.442 1.00 0.67 H new ATOM 0 HE22 GLN A 102 -8.880 3.552 -10.981 1.00 0.67 H new ATOM 1586 N LEU A 103 -10.452 2.404 -5.090 1.00 0.26 N ATOM 1587 CA LEU A 103 -11.154 1.802 -3.964 1.00 0.25 C ATOM 1588 C LEU A 103 -12.653 2.072 -4.063 1.00 0.26 C ATOM 1589 O LEU A 103 -13.466 1.314 -3.535 1.00 0.37 O ATOM 1590 CB LEU A 103 -10.600 2.356 -2.646 1.00 0.29 C ATOM 1591 CG LEU A 103 -10.903 1.531 -1.388 1.00 0.41 C ATOM 1592 CD1 LEU A 103 -10.792 0.040 -1.667 1.00 1.37 C ATOM 1593 CD2 LEU A 103 -9.959 1.927 -0.263 1.00 1.02 C ATOM 0 H LEU A 103 -9.955 3.264 -4.860 1.00 0.26 H new ATOM 0 HA LEU A 103 -10.996 0.724 -3.989 1.00 0.25 H new ATOM 0 HB2 LEU A 103 -9.518 2.452 -2.741 1.00 0.29 H new ATOM 0 HB3 LEU A 103 -10.998 3.361 -2.502 1.00 0.29 H new ATOM 0 HG LEU A 103 -11.929 1.741 -1.085 1.00 0.41 H new ATOM 0 HD11 LEU A 103 -11.012 -0.518 -0.757 1.00 1.37 H new ATOM 0 HD12 LEU A 103 -11.503 -0.239 -2.444 1.00 1.37 H new ATOM 0 HD13 LEU A 103 -9.781 -0.194 -2.000 1.00 1.37 H new ATOM 0 HD21 LEU A 103 -10.183 1.336 0.625 1.00 1.02 H new ATOM 0 HD22 LEU A 103 -8.929 1.744 -0.571 1.00 1.02 H new ATOM 0 HD23 LEU A 103 -10.087 2.985 -0.036 1.00 1.02 H new ATOM 1605 N ILE A 104 -13.010 3.155 -4.753 1.00 0.26 N ATOM 1606 CA ILE A 104 -14.410 3.521 -4.934 1.00 0.30 C ATOM 1607 C ILE A 104 -15.089 2.558 -5.890 1.00 0.28 C ATOM 1608 O ILE A 104 -16.240 2.169 -5.689 1.00 0.34 O ATOM 1609 CB ILE A 104 -14.569 4.947 -5.501 1.00 0.37 C ATOM 1610 CG1 ILE A 104 -13.682 5.937 -4.745 1.00 0.37 C ATOM 1611 CG2 ILE A 104 -16.027 5.377 -5.438 1.00 0.45 C ATOM 1612 CD1 ILE A 104 -13.604 7.300 -5.399 1.00 0.43 C ATOM 0 H ILE A 104 -12.348 3.792 -5.195 1.00 0.26 H new ATOM 0 HA ILE A 104 -14.872 3.477 -3.948 1.00 0.30 H new ATOM 0 HB ILE A 104 -14.251 4.940 -6.544 1.00 0.37 H new ATOM 0 HG12 ILE A 104 -14.062 6.051 -3.730 1.00 0.37 H new ATOM 0 HG13 ILE A 104 -12.677 5.524 -4.664 1.00 0.37 H new ATOM 0 HG21 ILE A 104 -16.127 6.385 -5.841 1.00 0.45 H new ATOM 0 HG22 ILE A 104 -16.635 4.689 -6.026 1.00 0.45 H new ATOM 0 HG23 ILE A 104 -16.365 5.365 -4.402 1.00 0.45 H new ATOM 0 HD11 ILE A 104 -12.958 7.950 -4.809 1.00 0.43 H new ATOM 0 HD12 ILE A 104 -13.195 7.198 -6.404 1.00 0.43 H new ATOM 0 HD13 ILE A 104 -14.602 7.734 -5.455 1.00 0.43 H new ATOM 1624 N LYS A 105 -14.368 2.188 -6.941 1.00 0.24 N ATOM 1625 CA LYS A 105 -14.896 1.281 -7.947 1.00 0.29 C ATOM 1626 C LYS A 105 -14.897 -0.167 -7.461 1.00 0.29 C ATOM 1627 O LYS A 105 -15.068 -1.087 -8.262 1.00 0.31 O ATOM 1628 CB LYS A 105 -14.084 1.398 -9.240 1.00 0.36 C ATOM 1629 CG LYS A 105 -12.709 0.753 -9.160 1.00 0.53 C ATOM 1630 CD LYS A 105 -12.412 -0.086 -10.393 1.00 0.62 C ATOM 1631 CE LYS A 105 -11.532 -1.279 -10.053 1.00 1.05 C ATOM 1632 NZ LYS A 105 -12.328 -2.529 -9.904 1.00 1.65 N ATOM 0 H LYS A 105 -13.414 2.504 -7.117 1.00 0.24 H new ATOM 0 HA LYS A 105 -15.930 1.568 -8.139 1.00 0.29 H new ATOM 0 HB2 LYS A 105 -14.645 0.937 -10.053 1.00 0.36 H new ATOM 0 HB3 LYS A 105 -13.967 2.452 -9.491 1.00 0.36 H new ATOM 0 HG2 LYS A 105 -11.949 1.527 -9.054 1.00 0.53 H new ATOM 0 HG3 LYS A 105 -12.652 0.126 -8.270 1.00 0.53 H new ATOM 0 HD2 LYS A 105 -13.347 -0.435 -10.832 1.00 0.62 H new ATOM 0 HD3 LYS A 105 -11.918 0.530 -11.144 1.00 0.62 H new ATOM 0 HE2 LYS A 105 -10.785 -1.415 -10.836 1.00 1.05 H new ATOM 0 HE3 LYS A 105 -10.991 -1.080 -9.128 1.00 1.05 H new ATOM 0 HZ1 LYS A 105 -11.693 -3.319 -9.672 1.00 1.65 H new ATOM 0 HZ2 LYS A 105 -13.024 -2.409 -9.140 1.00 1.65 H new ATOM 0 HZ3 LYS A 105 -12.824 -2.733 -10.795 1.00 1.65 H new ATOM 1646 N LYS A 106 -14.711 -0.381 -6.157 1.00 0.29 N ATOM 1647 CA LYS A 106 -14.703 -1.740 -5.624 1.00 0.32 C ATOM 1648 C LYS A 106 -15.415 -1.818 -4.277 1.00 0.35 C ATOM 1649 O LYS A 106 -16.313 -1.026 -3.990 1.00 0.56 O ATOM 1650 CB LYS A 106 -13.271 -2.262 -5.505 1.00 0.30 C ATOM 1651 CG LYS A 106 -12.422 -1.512 -4.494 1.00 0.38 C ATOM 1652 CD LYS A 106 -11.177 -2.305 -4.133 1.00 0.52 C ATOM 1653 CE LYS A 106 -10.185 -2.331 -5.282 1.00 0.68 C ATOM 1654 NZ LYS A 106 -8.832 -1.883 -4.858 1.00 1.27 N ATOM 0 H LYS A 106 -14.567 0.354 -5.465 1.00 0.29 H new ATOM 0 HA LYS A 106 -15.249 -2.373 -6.324 1.00 0.32 H new ATOM 0 HB2 LYS A 106 -13.301 -3.316 -5.228 1.00 0.30 H new ATOM 0 HB3 LYS A 106 -12.791 -2.203 -6.482 1.00 0.30 H new ATOM 0 HG2 LYS A 106 -12.135 -0.543 -4.903 1.00 0.38 H new ATOM 0 HG3 LYS A 106 -13.007 -1.318 -3.595 1.00 0.38 H new ATOM 0 HD2 LYS A 106 -10.706 -1.866 -3.254 1.00 0.52 H new ATOM 0 HD3 LYS A 106 -11.457 -3.325 -3.869 1.00 0.52 H new ATOM 0 HE2 LYS A 106 -10.123 -3.342 -5.685 1.00 0.68 H new ATOM 0 HE3 LYS A 106 -10.544 -1.689 -6.086 1.00 0.68 H new ATOM 0 HZ1 LYS A 106 -8.109 -2.421 -5.378 1.00 1.27 H new ATOM 0 HZ2 LYS A 106 -8.722 -0.869 -5.062 1.00 1.27 H new ATOM 0 HZ3 LYS A 106 -8.717 -2.045 -3.837 1.00 1.27 H new ATOM 1668 N GLU A 107 -15.019 -2.791 -3.463 1.00 0.33 N ATOM 1669 CA GLU A 107 -15.623 -2.996 -2.155 1.00 0.36 C ATOM 1670 C GLU A 107 -14.815 -2.330 -1.054 1.00 0.34 C ATOM 1671 O GLU A 107 -15.100 -1.209 -0.649 1.00 0.64 O ATOM 1672 CB GLU A 107 -15.741 -4.499 -1.869 1.00 0.42 C ATOM 1673 CG GLU A 107 -16.861 -4.861 -0.911 1.00 0.58 C ATOM 1674 CD GLU A 107 -18.239 -4.703 -1.529 1.00 0.89 C ATOM 1675 OE1 GLU A 107 -18.318 -4.475 -2.755 1.00 1.21 O ATOM 1676 OE2 GLU A 107 -19.237 -4.809 -0.787 1.00 1.44 O ATOM 0 H GLU A 107 -14.277 -3.453 -3.690 1.00 0.33 H new ATOM 0 HA GLU A 107 -16.613 -2.540 -2.169 1.00 0.36 H new ATOM 0 HB2 GLU A 107 -15.898 -5.026 -2.810 1.00 0.42 H new ATOM 0 HB3 GLU A 107 -14.796 -4.855 -1.458 1.00 0.42 H new ATOM 0 HG2 GLU A 107 -16.732 -5.892 -0.581 1.00 0.58 H new ATOM 0 HG3 GLU A 107 -16.792 -4.232 -0.024 1.00 0.58 H new ATOM 1683 N LYS A 108 -13.831 -3.046 -0.544 1.00 0.34 N ATOM 1684 CA LYS A 108 -13.024 -2.532 0.550 1.00 0.34 C ATOM 1685 C LYS A 108 -11.706 -3.282 0.687 1.00 0.37 C ATOM 1686 O LYS A 108 -11.596 -4.444 0.297 1.00 0.61 O ATOM 1687 CB LYS A 108 -13.822 -2.678 1.844 1.00 0.35 C ATOM 1688 CG LYS A 108 -14.806 -3.840 1.790 1.00 0.48 C ATOM 1689 CD LYS A 108 -15.027 -4.482 3.151 1.00 0.40 C ATOM 1690 CE LYS A 108 -16.488 -4.412 3.573 1.00 0.51 C ATOM 1691 NZ LYS A 108 -17.090 -3.082 3.287 1.00 1.23 N ATOM 0 H LYS A 108 -13.571 -3.978 -0.866 1.00 0.34 H new ATOM 0 HA LYS A 108 -12.789 -1.488 0.345 1.00 0.34 H new ATOM 0 HB2 LYS A 108 -13.135 -2.826 2.677 1.00 0.35 H new ATOM 0 HB3 LYS A 108 -14.366 -1.754 2.039 1.00 0.35 H new ATOM 0 HG2 LYS A 108 -15.760 -3.486 1.400 1.00 0.48 H new ATOM 0 HG3 LYS A 108 -14.437 -4.592 1.093 1.00 0.48 H new ATOM 0 HD2 LYS A 108 -14.706 -5.523 3.119 1.00 0.40 H new ATOM 0 HD3 LYS A 108 -14.408 -3.981 3.895 1.00 0.40 H new ATOM 0 HE2 LYS A 108 -17.053 -5.185 3.052 1.00 0.51 H new ATOM 0 HE3 LYS A 108 -16.567 -4.624 4.639 1.00 0.51 H new ATOM 0 HZ1 LYS A 108 -17.846 -2.888 3.974 1.00 1.23 H new ATOM 0 HZ2 LYS A 108 -16.358 -2.347 3.361 1.00 1.23 H new ATOM 0 HZ3 LYS A 108 -17.487 -3.080 2.326 1.00 1.23 H new ATOM 1705 N VAL A 109 -10.724 -2.617 1.281 1.00 0.20 N ATOM 1706 CA VAL A 109 -9.424 -3.225 1.517 1.00 0.22 C ATOM 1707 C VAL A 109 -8.958 -2.936 2.932 1.00 0.21 C ATOM 1708 O VAL A 109 -9.021 -1.798 3.399 1.00 0.23 O ATOM 1709 CB VAL A 109 -8.341 -2.748 0.533 1.00 0.24 C ATOM 1710 CG1 VAL A 109 -8.714 -3.119 -0.893 1.00 0.28 C ATOM 1711 CG2 VAL A 109 -8.116 -1.248 0.660 1.00 0.23 C ATOM 0 H VAL A 109 -10.805 -1.654 1.608 1.00 0.20 H new ATOM 0 HA VAL A 109 -9.560 -4.296 1.365 1.00 0.22 H new ATOM 0 HB VAL A 109 -7.407 -3.251 0.784 1.00 0.24 H new ATOM 0 HG11 VAL A 109 -7.936 -2.773 -1.574 1.00 0.28 H new ATOM 0 HG12 VAL A 109 -8.812 -4.202 -0.973 1.00 0.28 H new ATOM 0 HG13 VAL A 109 -9.661 -2.648 -1.155 1.00 0.28 H new ATOM 0 HG21 VAL A 109 -7.346 -0.935 -0.045 1.00 0.23 H new ATOM 0 HG22 VAL A 109 -9.045 -0.721 0.442 1.00 0.23 H new ATOM 0 HG23 VAL A 109 -7.796 -1.013 1.675 1.00 0.23 H new ATOM 1721 N TYR A 110 -8.485 -3.966 3.607 1.00 0.20 N ATOM 1722 CA TYR A 110 -8.000 -3.814 4.967 1.00 0.21 C ATOM 1723 C TYR A 110 -6.578 -3.266 4.933 1.00 0.22 C ATOM 1724 O TYR A 110 -5.643 -3.992 4.622 1.00 0.21 O ATOM 1725 CB TYR A 110 -8.061 -5.176 5.672 1.00 0.25 C ATOM 1726 CG TYR A 110 -7.013 -5.396 6.738 1.00 0.26 C ATOM 1727 CD1 TYR A 110 -6.992 -4.620 7.883 1.00 0.44 C ATOM 1728 CD2 TYR A 110 -6.055 -6.390 6.597 1.00 0.27 C ATOM 1729 CE1 TYR A 110 -6.047 -4.822 8.865 1.00 0.53 C ATOM 1730 CE2 TYR A 110 -5.102 -6.603 7.574 1.00 0.36 C ATOM 1731 CZ TYR A 110 -5.101 -5.816 8.708 1.00 0.48 C ATOM 1732 OH TYR A 110 -4.154 -6.021 9.685 1.00 0.59 O ATOM 0 H TYR A 110 -8.426 -4.915 3.238 1.00 0.20 H new ATOM 0 HA TYR A 110 -8.621 -3.111 5.522 1.00 0.21 H new ATOM 0 HB2 TYR A 110 -9.046 -5.289 6.125 1.00 0.25 H new ATOM 0 HB3 TYR A 110 -7.963 -5.960 4.921 1.00 0.25 H new ATOM 0 HD1 TYR A 110 -7.730 -3.842 8.009 1.00 0.44 H new ATOM 0 HD2 TYR A 110 -6.055 -7.006 5.710 1.00 0.27 H new ATOM 0 HE1 TYR A 110 -6.046 -4.207 9.753 1.00 0.53 H new ATOM 0 HE2 TYR A 110 -4.362 -7.380 7.451 1.00 0.36 H new ATOM 0 HH TYR A 110 -3.565 -6.758 9.420 1.00 0.59 H new ATOM 1742 N LEU A 111 -6.425 -1.980 5.235 1.00 0.25 N ATOM 1743 CA LEU A 111 -5.110 -1.339 5.214 1.00 0.30 C ATOM 1744 C LEU A 111 -4.571 -1.176 6.623 1.00 0.41 C ATOM 1745 O LEU A 111 -5.164 -0.467 7.437 1.00 0.64 O ATOM 1746 CB LEU A 111 -5.200 0.036 4.531 1.00 0.50 C ATOM 1747 CG LEU A 111 -3.884 0.634 3.988 1.00 0.81 C ATOM 1748 CD1 LEU A 111 -2.698 -0.300 4.198 1.00 1.76 C ATOM 1749 CD2 LEU A 111 -4.037 0.972 2.513 1.00 1.34 C ATOM 0 H LEU A 111 -7.192 -1.361 5.497 1.00 0.25 H new ATOM 0 HA LEU A 111 -4.429 -1.976 4.650 1.00 0.30 H new ATOM 0 HB2 LEU A 111 -5.904 -0.042 3.703 1.00 0.50 H new ATOM 0 HB3 LEU A 111 -5.624 0.742 5.245 1.00 0.50 H new ATOM 0 HG LEU A 111 -3.679 1.545 4.551 1.00 0.81 H new ATOM 0 HD11 LEU A 111 -1.795 0.163 3.800 1.00 1.76 H new ATOM 0 HD12 LEU A 111 -2.569 -0.490 5.263 1.00 1.76 H new ATOM 0 HD13 LEU A 111 -2.881 -1.242 3.681 1.00 1.76 H new ATOM 0 HD21 LEU A 111 -3.104 1.393 2.138 1.00 1.34 H new ATOM 0 HD22 LEU A 111 -4.277 0.067 1.955 1.00 1.34 H new ATOM 0 HD23 LEU A 111 -4.840 1.699 2.388 1.00 1.34 H new ATOM 1761 N ALA A 112 -3.452 -1.830 6.922 1.00 0.34 N ATOM 1762 CA ALA A 112 -2.886 -1.714 8.268 1.00 0.54 C ATOM 1763 C ALA A 112 -1.382 -1.954 8.326 1.00 0.41 C ATOM 1764 O ALA A 112 -0.789 -2.555 7.425 1.00 0.42 O ATOM 1765 CB ALA A 112 -3.593 -2.671 9.215 1.00 0.83 C ATOM 0 H ALA A 112 -2.932 -2.426 6.278 1.00 0.34 H new ATOM 0 HA ALA A 112 -3.048 -0.681 8.576 1.00 0.54 H new ATOM 0 HB1 ALA A 112 -3.165 -2.577 10.213 1.00 0.83 H new ATOM 0 HB2 ALA A 112 -4.655 -2.429 9.251 1.00 0.83 H new ATOM 0 HB3 ALA A 112 -3.466 -3.694 8.860 1.00 0.83 H new ATOM 1771 N TRP A 113 -0.789 -1.489 9.432 1.00 0.40 N ATOM 1772 CA TRP A 113 0.638 -1.647 9.691 1.00 0.46 C ATOM 1773 C TRP A 113 0.882 -1.890 11.181 1.00 0.85 C ATOM 1774 O TRP A 113 0.100 -1.465 12.032 1.00 1.15 O ATOM 1775 CB TRP A 113 1.443 -0.416 9.245 1.00 0.31 C ATOM 1776 CG TRP A 113 2.905 -0.532 9.593 1.00 0.53 C ATOM 1777 CD1 TRP A 113 3.730 -1.568 9.278 1.00 1.31 C ATOM 1778 CD2 TRP A 113 3.702 0.393 10.342 1.00 1.12 C ATOM 1779 NE1 TRP A 113 4.992 -1.342 9.766 1.00 1.23 N ATOM 1780 CE2 TRP A 113 5.001 -0.147 10.426 1.00 0.98 C ATOM 1781 CE3 TRP A 113 3.451 1.625 10.942 1.00 2.26 C ATOM 1782 CZ2 TRP A 113 6.038 0.501 11.088 1.00 1.57 C ATOM 1783 CZ3 TRP A 113 4.482 2.270 11.600 1.00 3.00 C ATOM 1784 CH2 TRP A 113 5.762 1.706 11.669 1.00 2.58 C ATOM 0 H TRP A 113 -1.289 -0.993 10.170 1.00 0.40 H new ATOM 0 HA TRP A 113 0.976 -2.506 9.111 1.00 0.46 H new ATOM 0 HB2 TRP A 113 1.337 -0.286 8.168 1.00 0.31 H new ATOM 0 HB3 TRP A 113 1.029 0.476 9.716 1.00 0.31 H new ATOM 0 HD1 TRP A 113 3.433 -2.445 8.722 1.00 1.31 H new ATOM 0 HE1 TRP A 113 5.792 -1.965 9.654 1.00 1.23 H new ATOM 0 HE3 TRP A 113 2.468 2.069 10.894 1.00 2.26 H new ATOM 0 HZ2 TRP A 113 7.026 0.067 11.141 1.00 1.57 H new ATOM 0 HZ3 TRP A 113 4.297 3.225 12.069 1.00 3.00 H new ATOM 0 HH2 TRP A 113 6.546 2.234 12.192 1.00 2.58 H new ATOM 1795 N VAL A 114 1.988 -2.559 11.480 1.00 1.03 N ATOM 1796 CA VAL A 114 2.384 -2.852 12.850 1.00 1.40 C ATOM 1797 C VAL A 114 3.851 -2.475 13.043 1.00 1.31 C ATOM 1798 O VAL A 114 4.681 -2.769 12.182 1.00 1.22 O ATOM 1799 CB VAL A 114 2.179 -4.345 13.192 1.00 1.86 C ATOM 1800 CG1 VAL A 114 2.931 -4.726 14.461 1.00 2.21 C ATOM 1801 CG2 VAL A 114 0.697 -4.658 13.334 1.00 2.36 C ATOM 0 H VAL A 114 2.637 -2.914 10.777 1.00 1.03 H new ATOM 0 HA VAL A 114 1.755 -2.266 13.521 1.00 1.40 H new ATOM 0 HB VAL A 114 2.584 -4.938 12.372 1.00 1.86 H new ATOM 0 HG11 VAL A 114 2.768 -5.782 14.677 1.00 2.21 H new ATOM 0 HG12 VAL A 114 3.997 -4.544 14.321 1.00 2.21 H new ATOM 0 HG13 VAL A 114 2.567 -4.125 15.294 1.00 2.21 H new ATOM 0 HG21 VAL A 114 0.569 -5.713 13.575 1.00 2.36 H new ATOM 0 HG22 VAL A 114 0.271 -4.050 14.132 1.00 2.36 H new ATOM 0 HG23 VAL A 114 0.187 -4.436 12.397 1.00 2.36 H new ATOM 1811 N PRO A 115 4.196 -1.806 14.161 1.00 1.47 N ATOM 1812 CA PRO A 115 5.576 -1.390 14.423 1.00 1.43 C ATOM 1813 C PRO A 115 6.579 -2.498 14.127 1.00 1.51 C ATOM 1814 O PRO A 115 6.638 -3.492 14.852 1.00 1.86 O ATOM 1815 CB PRO A 115 5.558 -1.068 15.917 1.00 1.79 C ATOM 1816 CG PRO A 115 4.160 -0.631 16.193 1.00 2.19 C ATOM 1817 CD PRO A 115 3.277 -1.396 15.240 1.00 1.82 C ATOM 0 HA PRO A 115 5.884 -0.556 13.793 1.00 1.43 H new ATOM 0 HB2 PRO A 115 5.825 -1.940 16.513 1.00 1.79 H new ATOM 0 HB3 PRO A 115 6.274 -0.283 16.162 1.00 1.79 H new ATOM 0 HG2 PRO A 115 3.886 -0.838 17.227 1.00 2.19 H new ATOM 0 HG3 PRO A 115 4.053 0.443 16.044 1.00 2.19 H new ATOM 0 HD2 PRO A 115 2.818 -2.258 15.724 1.00 1.82 H new ATOM 0 HD3 PRO A 115 2.466 -0.775 14.860 1.00 1.82 H new ATOM 1825 N ALA A 116 7.363 -2.295 13.058 1.00 1.35 N ATOM 1826 CA ALA A 116 8.391 -3.245 12.608 1.00 1.57 C ATOM 1827 C ALA A 116 8.561 -3.168 11.094 1.00 1.27 C ATOM 1828 O ALA A 116 7.586 -3.004 10.360 1.00 1.85 O ATOM 1829 CB ALA A 116 8.055 -4.679 13.003 1.00 2.13 C ATOM 0 H ALA A 116 7.301 -1.459 12.476 1.00 1.35 H new ATOM 0 HA ALA A 116 9.322 -2.964 13.100 1.00 1.57 H new ATOM 0 HB1 ALA A 116 8.841 -5.347 12.651 1.00 2.13 H new ATOM 0 HB2 ALA A 116 7.979 -4.749 14.088 1.00 2.13 H new ATOM 0 HB3 ALA A 116 7.105 -4.967 12.553 1.00 2.13 H new ATOM 1835 N HIS A 117 9.800 -3.302 10.630 1.00 1.34 N ATOM 1836 CA HIS A 117 10.086 -3.261 9.199 1.00 1.30 C ATOM 1837 C HIS A 117 10.436 -4.657 8.692 1.00 1.21 C ATOM 1838 O HIS A 117 11.604 -5.043 8.660 1.00 1.73 O ATOM 1839 CB HIS A 117 11.232 -2.288 8.909 1.00 1.75 C ATOM 1840 CG HIS A 117 10.852 -1.177 7.976 1.00 1.67 C ATOM 1841 ND1 HIS A 117 9.544 -0.810 7.736 1.00 1.57 N ATOM 1842 CD2 HIS A 117 11.617 -0.350 7.223 1.00 1.77 C ATOM 1843 CE1 HIS A 117 9.522 0.194 6.877 1.00 1.61 C ATOM 1844 NE2 HIS A 117 10.766 0.492 6.551 1.00 1.73 N ATOM 0 H HIS A 117 10.620 -3.439 11.221 1.00 1.34 H new ATOM 0 HA HIS A 117 9.196 -2.911 8.677 1.00 1.30 H new ATOM 0 HB2 HIS A 117 11.581 -1.859 9.849 1.00 1.75 H new ATOM 0 HB3 HIS A 117 12.068 -2.841 8.481 1.00 1.75 H new ATOM 0 HD1 HIS A 117 8.723 -1.245 8.156 1.00 1.57 H new ATOM 0 HD2 HIS A 117 12.695 -0.353 7.163 1.00 1.77 H new ATOM 0 HE1 HIS A 117 8.636 0.687 6.505 1.00 1.61 H new ATOM 1853 N LYS A 118 9.410 -5.416 8.312 1.00 0.97 N ATOM 1854 CA LYS A 118 9.606 -6.778 7.824 1.00 1.25 C ATOM 1855 C LYS A 118 8.906 -6.999 6.486 1.00 1.39 C ATOM 1856 O LYS A 118 9.239 -7.926 5.750 1.00 1.65 O ATOM 1857 CB LYS A 118 9.083 -7.789 8.852 1.00 1.76 C ATOM 1858 CG LYS A 118 8.474 -7.149 10.093 1.00 1.81 C ATOM 1859 CD LYS A 118 7.070 -6.625 9.824 1.00 2.21 C ATOM 1860 CE LYS A 118 6.128 -6.923 10.979 1.00 2.73 C ATOM 1861 NZ LYS A 118 6.380 -8.266 11.574 1.00 3.15 N ATOM 0 H LYS A 118 8.437 -5.111 8.333 1.00 0.97 H new ATOM 0 HA LYS A 118 10.676 -6.926 7.678 1.00 1.25 H new ATOM 0 HB2 LYS A 118 8.333 -8.421 8.376 1.00 1.76 H new ATOM 0 HB3 LYS A 118 9.903 -8.440 9.156 1.00 1.76 H new ATOM 0 HG2 LYS A 118 8.441 -7.880 10.901 1.00 1.81 H new ATOM 0 HG3 LYS A 118 9.110 -6.330 10.430 1.00 1.81 H new ATOM 0 HD2 LYS A 118 7.109 -5.549 9.655 1.00 2.21 H new ATOM 0 HD3 LYS A 118 6.681 -7.077 8.911 1.00 2.21 H new ATOM 0 HE2 LYS A 118 6.244 -6.159 11.747 1.00 2.73 H new ATOM 0 HE3 LYS A 118 5.097 -6.869 10.629 1.00 2.73 H new ATOM 0 HZ1 LYS A 118 5.513 -8.611 12.033 1.00 3.15 H new ATOM 0 HZ2 LYS A 118 6.663 -8.930 10.825 1.00 3.15 H new ATOM 0 HZ3 LYS A 118 7.141 -8.196 12.280 1.00 3.15 H new ATOM 1875 N GLY A 119 7.932 -6.149 6.180 1.00 1.53 N ATOM 1876 CA GLY A 119 7.200 -6.280 4.931 1.00 2.08 C ATOM 1877 C GLY A 119 5.733 -6.593 5.156 1.00 1.57 C ATOM 1878 O GLY A 119 4.865 -5.792 4.813 1.00 1.96 O ATOM 0 H GLY A 119 7.636 -5.373 6.772 1.00 1.53 H new ATOM 0 HA2 GLY A 119 7.289 -5.355 4.361 1.00 2.08 H new ATOM 0 HA3 GLY A 119 7.650 -7.070 4.329 1.00 2.08 H new ATOM 1882 N ILE A 120 5.463 -7.758 5.749 1.00 1.17 N ATOM 1883 CA ILE A 120 4.095 -8.181 6.045 1.00 1.20 C ATOM 1884 C ILE A 120 3.317 -8.526 4.771 1.00 0.94 C ATOM 1885 O ILE A 120 3.279 -7.739 3.830 1.00 1.54 O ATOM 1886 CB ILE A 120 3.349 -7.086 6.850 1.00 1.91 C ATOM 1887 CG1 ILE A 120 2.956 -7.613 8.235 1.00 3.06 C ATOM 1888 CG2 ILE A 120 2.125 -6.573 6.103 1.00 1.88 C ATOM 1889 CD1 ILE A 120 1.981 -8.772 8.197 1.00 4.00 C ATOM 0 H ILE A 120 6.178 -8.427 6.034 1.00 1.17 H new ATOM 0 HA ILE A 120 4.158 -9.086 6.650 1.00 1.20 H new ATOM 0 HB ILE A 120 4.031 -6.245 6.975 1.00 1.91 H new ATOM 0 HG12 ILE A 120 3.857 -7.926 8.763 1.00 3.06 H new ATOM 0 HG13 ILE A 120 2.516 -6.799 8.811 1.00 3.06 H new ATOM 0 HG21 ILE A 120 1.629 -5.807 6.699 1.00 1.88 H new ATOM 0 HG22 ILE A 120 2.434 -6.146 5.149 1.00 1.88 H new ATOM 0 HG23 ILE A 120 1.435 -7.398 5.926 1.00 1.88 H new ATOM 0 HD11 ILE A 120 1.752 -9.088 9.215 1.00 4.00 H new ATOM 0 HD12 ILE A 120 1.063 -8.459 7.699 1.00 4.00 H new ATOM 0 HD13 ILE A 120 2.425 -9.604 7.650 1.00 4.00 H new ATOM 1901 N GLY A 121 2.693 -9.707 4.764 1.00 0.85 N ATOM 1902 CA GLY A 121 1.912 -10.151 3.613 1.00 0.94 C ATOM 1903 C GLY A 121 2.691 -11.094 2.713 1.00 1.25 C ATOM 1904 O GLY A 121 2.108 -11.797 1.888 1.00 1.83 O ATOM 0 H GLY A 121 2.715 -10.368 5.540 1.00 0.85 H new ATOM 0 HA2 GLY A 121 1.008 -10.650 3.962 1.00 0.94 H new ATOM 0 HA3 GLY A 121 1.594 -9.282 3.036 1.00 0.94 H new ATOM 1908 N GLY A 122 4.011 -11.108 2.872 1.00 1.20 N ATOM 1909 CA GLY A 122 4.849 -11.974 2.063 1.00 1.58 C ATOM 1910 C GLY A 122 6.300 -11.532 2.048 1.00 1.42 C ATOM 1911 O GLY A 122 6.710 -10.759 1.182 1.00 1.85 O ATOM 0 H GLY A 122 4.516 -10.534 3.548 1.00 1.20 H new ATOM 0 HA2 GLY A 122 4.787 -12.993 2.444 1.00 1.58 H new ATOM 0 HA3 GLY A 122 4.468 -11.992 1.042 1.00 1.58 H new ATOM 1915 N ASN A 123 7.077 -12.023 3.008 1.00 1.26 N ATOM 1916 CA ASN A 123 8.490 -11.672 3.100 1.00 1.10 C ATOM 1917 C ASN A 123 9.354 -12.921 3.253 1.00 1.27 C ATOM 1918 O ASN A 123 10.106 -13.056 4.219 1.00 1.81 O ATOM 1919 CB ASN A 123 8.727 -10.726 4.277 1.00 1.03 C ATOM 1920 CG ASN A 123 10.139 -10.170 4.296 1.00 1.90 C ATOM 1921 OD1 ASN A 123 10.968 -10.579 5.110 1.00 2.42 O ATOM 1922 ND2 ASN A 123 10.419 -9.234 3.397 1.00 2.73 N ATOM 0 H ASN A 123 6.753 -12.664 3.732 1.00 1.26 H new ATOM 0 HA ASN A 123 8.773 -11.168 2.176 1.00 1.10 H new ATOM 0 HB2 ASN A 123 8.015 -9.902 4.226 1.00 1.03 H new ATOM 0 HB3 ASN A 123 8.535 -11.256 5.210 1.00 1.03 H new ATOM 0 HD21 ASN A 123 11.352 -8.824 3.362 1.00 2.73 H new ATOM 0 HD22 ASN A 123 9.701 -8.925 2.742 1.00 2.73 H new ATOM 1929 N GLU A 124 9.241 -13.833 2.294 1.00 1.71 N ATOM 1930 CA GLU A 124 10.011 -15.071 2.321 1.00 2.13 C ATOM 1931 C GLU A 124 10.610 -15.370 0.950 1.00 2.98 C ATOM 1932 O GLU A 124 11.497 -16.214 0.821 1.00 3.46 O ATOM 1933 CB GLU A 124 9.131 -16.238 2.771 1.00 2.22 C ATOM 1934 CG GLU A 124 8.418 -15.992 4.091 1.00 2.49 C ATOM 1935 CD GLU A 124 9.160 -16.581 5.275 1.00 3.25 C ATOM 1936 OE1 GLU A 124 9.573 -17.756 5.192 1.00 3.68 O ATOM 1937 OE2 GLU A 124 9.328 -15.866 6.286 1.00 3.75 O ATOM 0 H GLU A 124 8.623 -13.738 1.488 1.00 1.71 H new ATOM 0 HA GLU A 124 10.825 -14.945 3.034 1.00 2.13 H new ATOM 0 HB2 GLU A 124 8.388 -16.440 1.999 1.00 2.22 H new ATOM 0 HB3 GLU A 124 9.747 -17.132 2.862 1.00 2.22 H new ATOM 0 HG2 GLU A 124 8.298 -14.919 4.240 1.00 2.49 H new ATOM 0 HG3 GLU A 124 7.417 -16.421 4.044 1.00 2.49 H new ATOM 1944 N GLN A 125 10.120 -14.673 -0.070 1.00 3.49 N ATOM 1945 CA GLN A 125 10.606 -14.864 -1.430 1.00 4.42 C ATOM 1946 C GLN A 125 11.915 -14.107 -1.652 1.00 4.27 C ATOM 1947 O GLN A 125 12.986 -14.586 -1.279 1.00 4.61 O ATOM 1948 CB GLN A 125 9.550 -14.410 -2.440 1.00 5.31 C ATOM 1949 CG GLN A 125 8.998 -15.542 -3.293 1.00 6.26 C ATOM 1950 CD GLN A 125 8.996 -15.208 -4.771 1.00 7.06 C ATOM 1951 OE1 GLN A 125 9.442 -16.004 -5.598 1.00 7.67 O ATOM 1952 NE2 GLN A 125 8.493 -14.027 -5.112 1.00 7.33 N ATOM 0 H GLN A 125 9.386 -13.970 0.021 1.00 3.49 H new ATOM 0 HA GLN A 125 10.799 -15.927 -1.578 1.00 4.42 H new ATOM 0 HB2 GLN A 125 8.728 -13.935 -1.905 1.00 5.31 H new ATOM 0 HB3 GLN A 125 9.985 -13.653 -3.093 1.00 5.31 H new ATOM 0 HG2 GLN A 125 9.593 -16.440 -3.128 1.00 6.26 H new ATOM 0 HG3 GLN A 125 7.981 -15.770 -2.974 1.00 6.26 H new ATOM 0 HE21 GLN A 125 8.134 -13.399 -4.393 1.00 7.33 H new ATOM 0 HE22 GLN A 125 8.465 -13.748 -6.093 1.00 7.33 H new ATOM 1961 N VAL A 126 11.825 -12.924 -2.256 1.00 4.14 N ATOM 1962 CA VAL A 126 13.006 -12.107 -2.520 1.00 4.18 C ATOM 1963 C VAL A 126 12.639 -10.631 -2.634 1.00 3.46 C ATOM 1964 O VAL A 126 12.800 -10.020 -3.691 1.00 3.81 O ATOM 1965 CB VAL A 126 13.723 -12.546 -3.813 1.00 5.08 C ATOM 1966 CG1 VAL A 126 14.765 -13.612 -3.514 1.00 5.82 C ATOM 1967 CG2 VAL A 126 12.719 -13.045 -4.843 1.00 5.31 C ATOM 0 H VAL A 126 10.947 -12.511 -2.571 1.00 4.14 H new ATOM 0 HA VAL A 126 13.680 -12.249 -1.675 1.00 4.18 H new ATOM 0 HB VAL A 126 14.234 -11.679 -4.231 1.00 5.08 H new ATOM 0 HG11 VAL A 126 15.259 -13.908 -4.440 1.00 5.82 H new ATOM 0 HG12 VAL A 126 15.504 -13.213 -2.819 1.00 5.82 H new ATOM 0 HG13 VAL A 126 14.280 -14.480 -3.068 1.00 5.82 H new ATOM 0 HG21 VAL A 126 13.246 -13.350 -5.747 1.00 5.31 H new ATOM 0 HG22 VAL A 126 12.174 -13.897 -4.437 1.00 5.31 H new ATOM 0 HG23 VAL A 126 12.017 -12.246 -5.084 1.00 5.31 H new ATOM 1977 N ASP A 127 12.143 -10.062 -1.539 1.00 2.84 N ATOM 1978 CA ASP A 127 11.753 -8.656 -1.518 1.00 2.27 C ATOM 1979 C ASP A 127 12.965 -7.759 -1.287 1.00 2.09 C ATOM 1980 O ASP A 127 13.459 -7.118 -2.216 1.00 2.74 O ATOM 1981 CB ASP A 127 10.707 -8.411 -0.430 1.00 2.15 C ATOM 1982 CG ASP A 127 10.064 -7.042 -0.543 1.00 1.91 C ATOM 1983 OD1 ASP A 127 9.868 -6.569 -1.682 1.00 2.11 O ATOM 1984 OD2 ASP A 127 9.756 -6.443 0.509 1.00 1.97 O ATOM 0 H ASP A 127 12.002 -10.552 -0.656 1.00 2.84 H new ATOM 0 HA ASP A 127 11.321 -8.410 -2.488 1.00 2.27 H new ATOM 0 HB2 ASP A 127 9.935 -9.178 -0.493 1.00 2.15 H new ATOM 0 HB3 ASP A 127 11.175 -8.510 0.549 1.00 2.15 H new ATOM 1989 N LYS A 128 13.440 -7.717 -0.046 1.00 1.95 N ATOM 1990 CA LYS A 128 14.595 -6.897 0.303 1.00 2.34 C ATOM 1991 C LYS A 128 15.894 -7.668 0.092 1.00 2.68 C ATOM 1992 O LYS A 128 15.911 -8.899 0.135 1.00 3.34 O ATOM 1993 CB LYS A 128 14.495 -6.425 1.755 1.00 3.08 C ATOM 1994 CG LYS A 128 14.609 -7.549 2.773 1.00 3.86 C ATOM 1995 CD LYS A 128 15.751 -7.302 3.749 1.00 4.75 C ATOM 1996 CE LYS A 128 15.301 -7.472 5.191 1.00 5.70 C ATOM 1997 NZ LYS A 128 15.105 -8.905 5.547 1.00 6.64 N ATOM 0 H LYS A 128 13.043 -8.241 0.734 1.00 1.95 H new ATOM 0 HA LYS A 128 14.601 -6.026 -0.353 1.00 2.34 H new ATOM 0 HB2 LYS A 128 15.281 -5.694 1.945 1.00 3.08 H new ATOM 0 HB3 LYS A 128 13.543 -5.914 1.897 1.00 3.08 H new ATOM 0 HG2 LYS A 128 13.672 -7.640 3.323 1.00 3.86 H new ATOM 0 HG3 LYS A 128 14.769 -8.495 2.256 1.00 3.86 H new ATOM 0 HD2 LYS A 128 16.567 -7.993 3.538 1.00 4.75 H new ATOM 0 HD3 LYS A 128 16.142 -6.295 3.605 1.00 4.75 H new ATOM 0 HE2 LYS A 128 16.043 -7.031 5.857 1.00 5.70 H new ATOM 0 HE3 LYS A 128 14.369 -6.929 5.347 1.00 5.70 H new ATOM 0 HZ1 LYS A 128 14.798 -8.978 6.538 1.00 6.64 H new ATOM 0 HZ2 LYS A 128 14.379 -9.320 4.929 1.00 6.64 H new ATOM 0 HZ3 LYS A 128 16.001 -9.419 5.423 1.00 6.64 H new ATOM 2011 N LEU A 129 16.979 -6.935 -0.136 1.00 2.74 N ATOM 2012 CA LEU A 129 18.285 -7.547 -0.354 1.00 3.44 C ATOM 2013 C LEU A 129 19.250 -7.175 0.769 1.00 3.44 C ATOM 2014 O LEU A 129 20.382 -6.764 0.517 1.00 4.06 O ATOM 2015 CB LEU A 129 18.854 -7.109 -1.706 1.00 4.20 C ATOM 2016 CG LEU A 129 17.808 -6.761 -2.767 1.00 5.09 C ATOM 2017 CD1 LEU A 129 18.127 -5.424 -3.418 1.00 5.95 C ATOM 2018 CD2 LEU A 129 17.727 -7.861 -3.816 1.00 5.63 C ATOM 0 H LEU A 129 16.980 -5.916 -0.175 1.00 2.74 H new ATOM 0 HA LEU A 129 18.161 -8.630 -0.356 1.00 3.44 H new ATOM 0 HB2 LEU A 129 19.494 -6.240 -1.550 1.00 4.20 H new ATOM 0 HB3 LEU A 129 19.489 -7.907 -2.091 1.00 4.20 H new ATOM 0 HG LEU A 129 16.838 -6.679 -2.278 1.00 5.09 H new ATOM 0 HD11 LEU A 129 17.371 -5.196 -4.169 1.00 5.95 H new ATOM 0 HD12 LEU A 129 18.132 -4.642 -2.659 1.00 5.95 H new ATOM 0 HD13 LEU A 129 19.107 -5.475 -3.893 1.00 5.95 H new ATOM 0 HD21 LEU A 129 16.978 -7.597 -4.563 1.00 5.63 H new ATOM 0 HD22 LEU A 129 18.697 -7.975 -4.299 1.00 5.63 H new ATOM 0 HD23 LEU A 129 17.447 -8.800 -3.338 1.00 5.63 H new ATOM 2030 N VAL A 130 18.790 -7.325 2.009 1.00 3.30 N ATOM 2031 CA VAL A 130 19.604 -7.005 3.178 1.00 3.91 C ATOM 2032 C VAL A 130 20.079 -5.555 3.136 1.00 3.71 C ATOM 2033 O VAL A 130 21.245 -5.261 3.402 1.00 3.95 O ATOM 2034 CB VAL A 130 20.826 -7.941 3.296 1.00 4.75 C ATOM 2035 CG1 VAL A 130 21.392 -7.906 4.708 1.00 5.80 C ATOM 2036 CG2 VAL A 130 20.451 -9.362 2.902 1.00 5.04 C ATOM 0 H VAL A 130 17.855 -7.667 2.230 1.00 3.30 H new ATOM 0 HA VAL A 130 18.970 -7.150 4.053 1.00 3.91 H new ATOM 0 HB VAL A 130 21.597 -7.589 2.610 1.00 4.75 H new ATOM 0 HG11 VAL A 130 22.253 -8.572 4.772 1.00 5.80 H new ATOM 0 HG12 VAL A 130 21.701 -6.889 4.951 1.00 5.80 H new ATOM 0 HG13 VAL A 130 20.628 -8.232 5.414 1.00 5.80 H new ATOM 0 HG21 VAL A 130 21.325 -10.007 2.991 1.00 5.04 H new ATOM 0 HG22 VAL A 130 19.662 -9.726 3.561 1.00 5.04 H new ATOM 0 HG23 VAL A 130 20.097 -9.372 1.871 1.00 5.04 H new ATOM 2046 N SER A 131 19.160 -4.653 2.805 1.00 3.77 N ATOM 2047 CA SER A 131 19.469 -3.228 2.730 1.00 4.01 C ATOM 2048 C SER A 131 20.655 -2.965 1.805 1.00 3.49 C ATOM 2049 O SER A 131 21.484 -2.096 2.076 1.00 3.75 O ATOM 2050 CB SER A 131 19.765 -2.677 4.127 1.00 4.82 C ATOM 2051 OG SER A 131 18.918 -3.268 5.099 1.00 5.37 O ATOM 0 H SER A 131 18.192 -4.884 2.584 1.00 3.77 H new ATOM 0 HA SER A 131 18.598 -2.718 2.319 1.00 4.01 H new ATOM 0 HB2 SER A 131 20.807 -2.868 4.384 1.00 4.82 H new ATOM 0 HB3 SER A 131 19.629 -1.596 4.131 1.00 4.82 H new ATOM 0 HG SER A 131 19.128 -2.901 5.983 1.00 5.37 H new ATOM 2057 N ALA A 132 20.730 -3.716 0.710 1.00 3.18 N ATOM 2058 CA ALA A 132 21.816 -3.555 -0.252 1.00 2.91 C ATOM 2059 C ALA A 132 21.364 -2.734 -1.454 1.00 2.29 C ATOM 2060 O ALA A 132 20.531 -3.178 -2.244 1.00 2.87 O ATOM 2061 CB ALA A 132 22.334 -4.912 -0.704 1.00 3.32 C ATOM 0 H ALA A 132 20.054 -4.440 0.467 1.00 3.18 H new ATOM 0 HA ALA A 132 22.626 -3.018 0.242 1.00 2.91 H new ATOM 0 HB1 ALA A 132 23.143 -4.772 -1.421 1.00 3.32 H new ATOM 0 HB2 ALA A 132 22.705 -5.466 0.159 1.00 3.32 H new ATOM 0 HB3 ALA A 132 21.526 -5.472 -1.174 1.00 3.32 H new ATOM 2067 N GLY A 133 21.919 -1.534 -1.584 1.00 1.63 N ATOM 2068 CA GLY A 133 21.561 -0.668 -2.691 1.00 1.27 C ATOM 2069 C GLY A 133 20.858 0.592 -2.234 1.00 1.21 C ATOM 2070 O GLY A 133 20.556 0.749 -1.052 1.00 1.74 O ATOM 0 H GLY A 133 22.610 -1.146 -0.942 1.00 1.63 H new ATOM 0 HA2 GLY A 133 22.461 -0.399 -3.244 1.00 1.27 H new ATOM 0 HA3 GLY A 133 20.915 -1.212 -3.380 1.00 1.27 H new ATOM 2074 N ILE A 134 20.591 1.489 -3.177 1.00 1.04 N ATOM 2075 CA ILE A 134 19.913 2.740 -2.871 1.00 1.02 C ATOM 2076 C ILE A 134 18.402 2.538 -2.847 1.00 0.90 C ATOM 2077 O ILE A 134 17.664 3.186 -3.591 1.00 0.92 O ATOM 2078 CB ILE A 134 20.261 3.840 -3.895 1.00 1.15 C ATOM 2079 CG1 ILE A 134 21.725 3.722 -4.336 1.00 1.53 C ATOM 2080 CG2 ILE A 134 19.983 5.217 -3.309 1.00 1.28 C ATOM 2081 CD1 ILE A 134 22.721 3.881 -3.206 1.00 2.77 C ATOM 0 H ILE A 134 20.835 1.371 -4.160 1.00 1.04 H new ATOM 0 HA ILE A 134 20.256 3.060 -1.887 1.00 1.02 H new ATOM 0 HB ILE A 134 19.630 3.708 -4.774 1.00 1.15 H new ATOM 0 HG12 ILE A 134 21.875 2.750 -4.806 1.00 1.53 H new ATOM 0 HG13 ILE A 134 21.928 4.478 -5.095 1.00 1.53 H new ATOM 0 HG21 ILE A 134 20.234 5.982 -4.044 1.00 1.28 H new ATOM 0 HG22 ILE A 134 18.927 5.295 -3.049 1.00 1.28 H new ATOM 0 HG23 ILE A 134 20.589 5.361 -2.414 1.00 1.28 H new ATOM 0 HD11 ILE A 134 23.734 3.785 -3.597 1.00 2.77 H new ATOM 0 HD12 ILE A 134 22.600 4.864 -2.750 1.00 2.77 H new ATOM 0 HD13 ILE A 134 22.547 3.109 -2.456 1.00 2.77 H new ATOM 2093 N ARG A 135 17.948 1.627 -1.991 1.00 0.93 N ATOM 2094 CA ARG A 135 16.526 1.333 -1.873 1.00 0.92 C ATOM 2095 C ARG A 135 16.134 1.067 -0.423 1.00 1.04 C ATOM 2096 O ARG A 135 15.167 0.354 -0.154 1.00 1.72 O ATOM 2097 CB ARG A 135 16.162 0.128 -2.744 1.00 1.07 C ATOM 2098 CG ARG A 135 17.087 -1.064 -2.556 1.00 1.32 C ATOM 2099 CD ARG A 135 18.128 -1.143 -3.662 1.00 1.41 C ATOM 2100 NE ARG A 135 17.520 -1.364 -4.972 1.00 1.92 N ATOM 2101 CZ ARG A 135 17.780 -0.616 -6.040 1.00 2.58 C ATOM 2102 NH1 ARG A 135 18.636 0.395 -5.956 1.00 3.01 N ATOM 2103 NH2 ARG A 135 17.185 -0.879 -7.196 1.00 3.36 N ATOM 0 H ARG A 135 18.545 1.081 -1.370 1.00 0.93 H new ATOM 0 HA ARG A 135 15.973 2.206 -2.218 1.00 0.92 H new ATOM 0 HB2 ARG A 135 15.140 -0.177 -2.518 1.00 1.07 H new ATOM 0 HB3 ARG A 135 16.180 0.429 -3.791 1.00 1.07 H new ATOM 0 HG2 ARG A 135 17.586 -0.989 -1.590 1.00 1.32 H new ATOM 0 HG3 ARG A 135 16.500 -1.982 -2.541 1.00 1.32 H new ATOM 0 HD2 ARG A 135 18.706 -0.219 -3.682 1.00 1.41 H new ATOM 0 HD3 ARG A 135 18.826 -1.952 -3.445 1.00 1.41 H new ATOM 0 HE ARG A 135 16.860 -2.135 -5.073 1.00 1.92 H new ATOM 0 HH11 ARG A 135 19.097 0.600 -5.070 1.00 3.01 H new ATOM 0 HH12 ARG A 135 18.833 0.966 -6.778 1.00 3.01 H new ATOM 0 HH21 ARG A 135 16.527 -1.656 -7.266 1.00 3.36 H new ATOM 0 HH22 ARG A 135 17.385 -0.305 -8.015 1.00 3.36 H new ATOM 2117 N LYS A 136 16.885 1.647 0.510 1.00 0.78 N ATOM 2118 CA LYS A 136 16.607 1.470 1.931 1.00 0.90 C ATOM 2119 C LYS A 136 15.336 2.215 2.326 1.00 0.85 C ATOM 2120 O LYS A 136 15.311 3.446 2.365 1.00 1.11 O ATOM 2121 CB LYS A 136 17.786 1.961 2.775 1.00 1.02 C ATOM 2122 CG LYS A 136 18.299 3.335 2.372 1.00 1.02 C ATOM 2123 CD LYS A 136 19.733 3.551 2.826 1.00 0.98 C ATOM 2124 CE LYS A 136 19.884 4.857 3.589 1.00 1.41 C ATOM 2125 NZ LYS A 136 21.309 5.273 3.702 1.00 1.74 N ATOM 0 H LYS A 136 17.688 2.242 0.307 1.00 0.78 H new ATOM 0 HA LYS A 136 16.461 0.406 2.118 1.00 0.90 H new ATOM 0 HB2 LYS A 136 17.485 1.989 3.822 1.00 1.02 H new ATOM 0 HB3 LYS A 136 18.601 1.242 2.697 1.00 1.02 H new ATOM 0 HG2 LYS A 136 18.239 3.443 1.289 1.00 1.02 H new ATOM 0 HG3 LYS A 136 17.660 4.104 2.805 1.00 1.02 H new ATOM 0 HD2 LYS A 136 20.045 2.720 3.459 1.00 0.98 H new ATOM 0 HD3 LYS A 136 20.394 3.556 1.959 1.00 0.98 H new ATOM 0 HE2 LYS A 136 19.316 5.639 3.085 1.00 1.41 H new ATOM 0 HE3 LYS A 136 19.458 4.746 4.586 1.00 1.41 H new ATOM 0 HZ1 LYS A 136 21.369 6.168 4.229 1.00 1.74 H new ATOM 0 HZ2 LYS A 136 21.846 4.538 4.205 1.00 1.74 H new ATOM 0 HZ3 LYS A 136 21.709 5.404 2.751 1.00 1.74 H new ATOM 2139 N VAL A 137 14.280 1.461 2.610 1.00 1.02 N ATOM 2140 CA VAL A 137 13.003 2.049 2.995 1.00 1.09 C ATOM 2141 C VAL A 137 13.069 2.638 4.401 1.00 1.38 C ATOM 2142 O VAL A 137 13.661 2.049 5.306 1.00 1.96 O ATOM 2143 CB VAL A 137 11.866 1.010 2.929 1.00 1.65 C ATOM 2144 CG1 VAL A 137 12.198 -0.201 3.787 1.00 2.46 C ATOM 2145 CG2 VAL A 137 10.543 1.629 3.354 1.00 2.13 C ATOM 0 H VAL A 137 14.283 0.441 2.581 1.00 1.02 H new ATOM 0 HA VAL A 137 12.793 2.848 2.284 1.00 1.09 H new ATOM 0 HB VAL A 137 11.766 0.678 1.896 1.00 1.65 H new ATOM 0 HG11 VAL A 137 11.384 -0.923 3.728 1.00 2.46 H new ATOM 0 HG12 VAL A 137 13.118 -0.661 3.427 1.00 2.46 H new ATOM 0 HG13 VAL A 137 12.330 0.112 4.823 1.00 2.46 H new ATOM 0 HG21 VAL A 137 9.755 0.877 3.299 1.00 2.13 H new ATOM 0 HG22 VAL A 137 10.625 1.995 4.377 1.00 2.13 H new ATOM 0 HG23 VAL A 137 10.299 2.458 2.690 1.00 2.13 H new ATOM 2155 N LEU A 138 12.456 3.805 4.577 1.00 1.42 N ATOM 2156 CA LEU A 138 12.442 4.474 5.872 1.00 2.10 C ATOM 2157 C LEU A 138 11.171 4.139 6.644 1.00 2.78 C ATOM 2158 O LEU A 138 10.956 4.738 7.719 1.00 3.22 O ATOM 2159 CB LEU A 138 12.561 5.991 5.689 1.00 2.17 C ATOM 2160 CG LEU A 138 13.793 6.633 6.332 1.00 2.84 C ATOM 2161 CD1 LEU A 138 13.760 6.458 7.843 1.00 2.82 C ATOM 2162 CD2 LEU A 138 15.072 6.044 5.752 1.00 3.79 C ATOM 2163 OXT LEU A 138 10.399 3.280 6.167 1.00 3.18 O ATOM 0 H LEU A 138 11.963 4.306 3.838 1.00 1.42 H new ATOM 0 HA LEU A 138 13.297 4.118 6.446 1.00 2.10 H new ATOM 0 HB2 LEU A 138 12.572 6.212 4.622 1.00 2.17 H new ATOM 0 HB3 LEU A 138 11.669 6.461 6.103 1.00 2.17 H new ATOM 0 HG LEU A 138 13.778 7.700 6.109 1.00 2.84 H new ATOM 0 HD11 LEU A 138 14.644 6.921 8.282 1.00 2.82 H new ATOM 0 HD12 LEU A 138 12.864 6.932 8.245 1.00 2.82 H new ATOM 0 HD13 LEU A 138 13.748 5.396 8.086 1.00 2.82 H new ATOM 0 HD21 LEU A 138 15.935 6.514 6.223 1.00 3.79 H new ATOM 0 HD22 LEU A 138 15.096 4.971 5.940 1.00 3.79 H new ATOM 0 HD23 LEU A 138 15.101 6.225 4.678 1.00 3.79 H new TER 2175 LEU A 138