USER MOD reduce.3.24.130724 H: found=0, std=0, add=1082, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 1085 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 97 ASN : amide:sc= 0.129 K(o=0.75,f=-5.4!) USER MOD Set 1.2: A 127 LYS NZ :NH3+ -149:sc= 0.618 (180deg=-0.026) USER MOD Set 2.1: A 22 ASN : amide:sc= 0.185 K(o=-1.6,f=-2.3) USER MOD Set 2.2: A 37 TYR OH : rot 171:sc= -1.38! USER MOD Set 2.3: A 52 THR OG1 : rot 180:sc= -0.595 USER MOD Set 2.4: A 53 ASN : amide:sc= 0.155 K(o=-1.6,f=-2.5) USER MOD Set 3.1: A 41 LYS NZ :NH3+ -150:sc= 0.307 (180deg=0) USER MOD Set 3.2: A 54 GLN : amide:sc= -2.59! C(o=-2.3!,f=-5.9!) USER MOD Single : A 10 ASN : amide:sc=-0.00343 K(o=-0.0034,f=-0.72) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= -0.296 K(o=-0.3,f=-3.8!) USER MOD Single : A 16 LYS NZ :NH3+ 166:sc= 1.18 (180deg=0.933) USER MOD Single : A 18 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0191) USER MOD Single : A 25 TYR OH : rot -2:sc= 0.707 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ -166:sc= 1.22 (180deg=1.01) USER MOD Single : A 28 LYS NZ :NH3+ 175:sc= -0.292 (180deg=-0.351) USER MOD Single : A 32 THR OG1 : rot 127:sc= 1.27 USER MOD Single : A 35 LYS NZ :NH3+ 170:sc=-0.00608 (180deg=-0.0912) USER MOD Single : A 36 HIS : no HE2:sc= -0.327 K(o=-0.33,f=-5.1!) USER MOD Single : A 39 LYS NZ :NH3+ 167:sc= 1.28 (180deg=1.14) USER MOD Single : A 46 THR OG1 : rot 25:sc= 1.01 USER MOD Single : A 47 ASN : amide:sc= -2.47! K(o=-2.5!,f=-0.63) USER MOD Single : A 48 MET CE :methyl -124:sc= -6.04! (180deg=-8.88!) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 TYR OH : rot 165:sc=-0.00109 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 175:sc= 0.45 (180deg=0.437) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= 0.0588 K(o=0.059,f=-1.8) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 CYS SG : rot 11:sc= -8.03! USER MOD Single : A 71 CYS SG : rot 89:sc= -0.186 USER MOD Single : A 73 LYS NZ :NH3+ 160:sc= 1.29 (180deg=1.23) USER MOD Single : A 81 ASN : amide:sc= -0.594 X(o=-0.59,f=-0.63) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= 0.228 X(o=0.23,f=-0.13) USER MOD Single : A 90 LYS NZ :NH3+ -173:sc=-0.00178 (180deg=-0.0622) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 67:sc= -0.608! USER MOD Single : A 99 TYR OH : rot 180:sc= -0.476 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 166:sc= 1.22 (180deg=1.02) USER MOD Single : A 105 TYR OH : rot 52:sc= 0.0189 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 HIS : no HE2:sc= -0.162 K(o=-0.16,f=-1.3) USER MOD Single : A 112 TYR OH : rot -167:sc= -1.1 USER MOD Single : A 113 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 SER OG : rot 127:sc= -1.14! USER MOD Single : A 119 HIS : no HD1:sc= -2.47 K(o=-2.5,f=-4.6!) USER MOD Single : A 121 THR OG1 : rot -67:sc= 0.238 USER MOD Single : A 126 LYS NZ :NH3+ 161:sc= 1.27 (180deg=1.16) USER MOD Single : A 128 CYS SG : rot -18:sc= -2.09! USER MOD Single : A 129 GLN : amide:sc= -1.32! K(o=-1.3!,f=-0.059) USER MOD Single : A 130 GLN : amide:sc= -1.84! C(o=-1.8!,f=-7.8!) USER MOD Single : A 133 LYS NZ :NH3+ 142:sc= -0.604 (180deg=-2.51!) USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 138 GLN : amide:sc= -0.359 X(o=-0.36,f=-0.085) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 9 24.089 -7.896 -0.775 1.00 1.26 N ATOM 2 CA GLU A 9 24.578 -6.835 -1.677 1.00 1.05 C ATOM 3 C GLU A 9 23.775 -5.547 -1.468 1.00 0.90 C ATOM 4 O GLU A 9 24.035 -4.792 -0.532 1.00 0.98 O ATOM 5 CB GLU A 9 24.489 -7.308 -3.133 1.00 1.37 C ATOM 6 CG GLU A 9 25.091 -6.344 -4.141 1.00 2.20 C ATOM 7 CD GLU A 9 24.910 -6.813 -5.568 1.00 2.80 C ATOM 8 OE1 GLU A 9 25.644 -7.725 -5.999 1.00 3.26 O ATOM 9 OE2 GLU A 9 24.029 -6.275 -6.269 1.00 3.20 O ATOM 0 HA GLU A 9 25.622 -6.622 -1.446 1.00 1.05 H new ATOM 0 HB2 GLU A 9 24.994 -8.270 -3.222 1.00 1.37 H new ATOM 0 HB3 GLU A 9 23.442 -7.473 -3.386 1.00 1.37 H new ATOM 0 HG2 GLU A 9 24.629 -5.364 -4.022 1.00 2.20 H new ATOM 0 HG3 GLU A 9 26.154 -6.223 -3.933 1.00 2.20 H new ATOM 18 N ASN A 10 22.790 -5.303 -2.324 1.00 0.79 N ATOM 19 CA ASN A 10 21.954 -4.116 -2.204 1.00 0.66 C ATOM 20 C ASN A 10 20.803 -4.354 -1.238 1.00 0.59 C ATOM 21 O ASN A 10 20.255 -3.411 -0.691 1.00 0.53 O ATOM 22 CB ASN A 10 21.413 -3.677 -3.571 1.00 0.62 C ATOM 23 CG ASN A 10 22.498 -3.172 -4.504 1.00 1.14 C ATOM 24 OD1 ASN A 10 23.479 -2.567 -4.071 1.00 1.94 O ATOM 25 ND2 ASN A 10 22.332 -3.421 -5.793 1.00 1.45 N ATOM 0 H ASN A 10 22.551 -5.911 -3.108 1.00 0.79 H new ATOM 0 HA ASN A 10 22.579 -3.316 -1.809 1.00 0.66 H new ATOM 0 HB2 ASN A 10 20.901 -4.517 -4.040 1.00 0.62 H new ATOM 0 HB3 ASN A 10 20.671 -2.892 -3.427 1.00 0.62 H new ATOM 0 HD21 ASN A 10 23.031 -3.108 -6.467 1.00 1.45 H new ATOM 0 HD22 ASN A 10 21.505 -3.926 -6.113 1.00 1.45 H new ATOM 32 N LYS A 11 20.445 -5.620 -1.025 1.00 0.63 N ATOM 33 CA LYS A 11 19.281 -5.966 -0.202 1.00 0.62 C ATOM 34 C LYS A 11 19.395 -5.422 1.224 1.00 0.62 C ATOM 35 O LYS A 11 18.461 -4.797 1.729 1.00 0.58 O ATOM 36 CB LYS A 11 19.070 -7.478 -0.161 1.00 0.71 C ATOM 37 CG LYS A 11 18.902 -8.103 -1.534 1.00 0.79 C ATOM 38 CD LYS A 11 18.407 -9.535 -1.437 1.00 1.12 C ATOM 39 CE LYS A 11 18.249 -10.162 -2.812 1.00 1.50 C ATOM 40 NZ LYS A 11 17.658 -11.522 -2.736 1.00 2.19 N ATOM 0 H LYS A 11 20.942 -6.424 -1.409 1.00 0.63 H new ATOM 0 HA LYS A 11 18.418 -5.494 -0.672 1.00 0.62 H new ATOM 0 HB2 LYS A 11 19.920 -7.942 0.339 1.00 0.71 H new ATOM 0 HB3 LYS A 11 18.188 -7.698 0.440 1.00 0.71 H new ATOM 0 HG2 LYS A 11 18.198 -7.512 -2.120 1.00 0.79 H new ATOM 0 HG3 LYS A 11 19.854 -8.081 -2.064 1.00 0.79 H new ATOM 0 HD2 LYS A 11 19.107 -10.124 -0.845 1.00 1.12 H new ATOM 0 HD3 LYS A 11 17.451 -9.556 -0.914 1.00 1.12 H new ATOM 0 HE2 LYS A 11 17.616 -9.525 -3.431 1.00 1.50 H new ATOM 0 HE3 LYS A 11 19.222 -10.216 -3.300 1.00 1.50 H new ATOM 0 HZ1 LYS A 11 17.567 -11.915 -3.695 1.00 2.19 H new ATOM 0 HZ2 LYS A 11 18.274 -12.137 -2.167 1.00 2.19 H new ATOM 0 HZ3 LYS A 11 16.719 -11.468 -2.293 1.00 2.19 H new ATOM 54 N LYS A 12 20.529 -5.654 1.874 1.00 0.70 N ATOM 55 CA LYS A 12 20.730 -5.155 3.232 1.00 0.74 C ATOM 56 C LYS A 12 20.757 -3.630 3.247 1.00 0.66 C ATOM 57 O LYS A 12 20.240 -2.997 4.167 1.00 0.63 O ATOM 58 CB LYS A 12 22.017 -5.712 3.841 1.00 0.90 C ATOM 59 CG LYS A 12 21.988 -7.215 4.070 1.00 1.54 C ATOM 60 CD LYS A 12 20.878 -7.619 5.028 1.00 2.02 C ATOM 61 CE LYS A 12 20.891 -9.116 5.291 1.00 2.38 C ATOM 62 NZ LYS A 12 19.802 -9.533 6.215 1.00 2.83 N ATOM 0 H LYS A 12 21.316 -6.178 1.490 1.00 0.70 H new ATOM 0 HA LYS A 12 19.891 -5.497 3.838 1.00 0.74 H new ATOM 0 HB2 LYS A 12 22.853 -5.470 3.184 1.00 0.90 H new ATOM 0 HB3 LYS A 12 22.204 -5.213 4.792 1.00 0.90 H new ATOM 0 HG2 LYS A 12 21.849 -7.725 3.117 1.00 1.54 H new ATOM 0 HG3 LYS A 12 22.949 -7.541 4.469 1.00 1.54 H new ATOM 0 HD2 LYS A 12 20.994 -7.082 5.969 1.00 2.02 H new ATOM 0 HD3 LYS A 12 19.913 -7.329 4.612 1.00 2.02 H new ATOM 0 HE2 LYS A 12 20.788 -9.650 4.346 1.00 2.38 H new ATOM 0 HE3 LYS A 12 21.854 -9.400 5.715 1.00 2.38 H new ATOM 0 HZ1 LYS A 12 19.849 -10.561 6.366 1.00 2.83 H new ATOM 0 HZ2 LYS A 12 19.913 -9.044 7.126 1.00 2.83 H new ATOM 0 HZ3 LYS A 12 18.881 -9.286 5.800 1.00 2.83 H new ATOM 76 N GLN A 13 21.358 -3.044 2.220 1.00 0.64 N ATOM 77 CA GLN A 13 21.387 -1.607 2.078 1.00 0.59 C ATOM 78 C GLN A 13 19.979 -1.078 1.813 1.00 0.50 C ATOM 79 O GLN A 13 19.637 0.031 2.216 1.00 0.49 O ATOM 80 CB GLN A 13 22.331 -1.226 0.941 1.00 0.62 C ATOM 81 CG GLN A 13 22.817 0.198 1.031 1.00 0.90 C ATOM 82 CD GLN A 13 23.809 0.555 -0.056 1.00 1.51 C ATOM 83 OE1 GLN A 13 23.429 0.987 -1.144 1.00 2.07 O ATOM 84 NE2 GLN A 13 25.088 0.386 0.232 1.00 2.26 N ATOM 0 H GLN A 13 21.832 -3.551 1.473 1.00 0.64 H new ATOM 0 HA GLN A 13 21.751 -1.158 3.002 1.00 0.59 H new ATOM 0 HB2 GLN A 13 23.189 -1.898 0.948 1.00 0.62 H new ATOM 0 HB3 GLN A 13 21.821 -1.370 -0.011 1.00 0.62 H new ATOM 0 HG2 GLN A 13 21.963 0.872 0.971 1.00 0.90 H new ATOM 0 HG3 GLN A 13 23.281 0.357 2.005 1.00 0.90 H new ATOM 0 HE21 GLN A 13 25.362 0.025 1.146 1.00 2.26 H new ATOM 0 HE22 GLN A 13 25.801 0.616 -0.460 1.00 2.26 H new ATOM 93 N ALA A 14 19.168 -1.889 1.139 1.00 0.46 N ATOM 94 CA ALA A 14 17.778 -1.549 0.862 1.00 0.38 C ATOM 95 C ALA A 14 16.997 -1.422 2.160 1.00 0.39 C ATOM 96 O ALA A 14 16.109 -0.585 2.279 1.00 0.36 O ATOM 97 CB ALA A 14 17.139 -2.595 -0.047 1.00 0.36 C ATOM 0 H ALA A 14 19.455 -2.796 0.772 1.00 0.46 H new ATOM 0 HA ALA A 14 17.754 -0.589 0.347 1.00 0.38 H new ATOM 0 HB1 ALA A 14 16.102 -2.323 -0.242 1.00 0.36 H new ATOM 0 HB2 ALA A 14 17.685 -2.641 -0.989 1.00 0.36 H new ATOM 0 HB3 ALA A 14 17.173 -3.570 0.440 1.00 0.36 H new ATOM 103 N LEU A 15 17.333 -2.259 3.134 1.00 0.45 N ATOM 104 CA LEU A 15 16.730 -2.159 4.455 1.00 0.47 C ATOM 105 C LEU A 15 17.093 -0.828 5.089 1.00 0.49 C ATOM 106 O LEU A 15 16.243 -0.152 5.662 1.00 0.49 O ATOM 107 CB LEU A 15 17.186 -3.309 5.354 1.00 0.54 C ATOM 108 CG LEU A 15 16.530 -4.659 5.076 1.00 1.13 C ATOM 109 CD1 LEU A 15 17.205 -5.753 5.887 1.00 1.98 C ATOM 110 CD2 LEU A 15 15.045 -4.600 5.403 1.00 1.31 C ATOM 0 H LEU A 15 18.016 -3.010 3.034 1.00 0.45 H new ATOM 0 HA LEU A 15 15.648 -2.223 4.344 1.00 0.47 H new ATOM 0 HB2 LEU A 15 18.265 -3.421 5.252 1.00 0.54 H new ATOM 0 HB3 LEU A 15 16.991 -3.036 6.391 1.00 0.54 H new ATOM 0 HG LEU A 15 16.646 -4.890 4.017 1.00 1.13 H new ATOM 0 HD11 LEU A 15 16.726 -6.709 5.678 1.00 1.98 H new ATOM 0 HD12 LEU A 15 18.259 -5.809 5.616 1.00 1.98 H new ATOM 0 HD13 LEU A 15 17.115 -5.527 6.949 1.00 1.98 H new ATOM 0 HD21 LEU A 15 14.589 -5.569 5.200 1.00 1.31 H new ATOM 0 HD22 LEU A 15 14.914 -4.350 6.456 1.00 1.31 H new ATOM 0 HD23 LEU A 15 14.567 -3.838 4.787 1.00 1.31 H new ATOM 122 N LYS A 16 18.359 -0.454 4.953 1.00 0.51 N ATOM 123 CA LYS A 16 18.846 0.821 5.456 1.00 0.54 C ATOM 124 C LYS A 16 18.137 1.977 4.751 1.00 0.48 C ATOM 125 O LYS A 16 17.723 2.943 5.390 1.00 0.49 O ATOM 126 CB LYS A 16 20.371 0.895 5.275 1.00 0.62 C ATOM 127 CG LYS A 16 20.986 2.256 5.569 1.00 0.79 C ATOM 128 CD LYS A 16 21.193 3.056 4.292 1.00 1.64 C ATOM 129 CE LYS A 16 21.836 4.404 4.567 1.00 1.89 C ATOM 130 NZ LYS A 16 22.120 5.143 3.311 1.00 2.88 N ATOM 0 H LYS A 16 19.071 -1.022 4.494 1.00 0.51 H new ATOM 0 HA LYS A 16 18.624 0.904 6.520 1.00 0.54 H new ATOM 0 HB2 LYS A 16 20.836 0.154 5.926 1.00 0.62 H new ATOM 0 HB3 LYS A 16 20.615 0.616 4.250 1.00 0.62 H new ATOM 0 HG2 LYS A 16 20.338 2.811 6.248 1.00 0.79 H new ATOM 0 HG3 LYS A 16 21.941 2.124 6.077 1.00 0.79 H new ATOM 0 HD2 LYS A 16 21.820 2.488 3.605 1.00 1.64 H new ATOM 0 HD3 LYS A 16 20.233 3.206 3.798 1.00 1.64 H new ATOM 0 HE2 LYS A 16 21.177 5.000 5.199 1.00 1.89 H new ATOM 0 HE3 LYS A 16 22.763 4.259 5.121 1.00 1.89 H new ATOM 0 HZ1 LYS A 16 22.333 6.136 3.533 1.00 2.88 H new ATOM 0 HZ2 LYS A 16 22.937 4.713 2.832 1.00 2.88 H new ATOM 0 HZ3 LYS A 16 21.290 5.098 2.687 1.00 2.88 H new ATOM 144 N GLU A 17 17.982 1.865 3.437 1.00 0.42 N ATOM 145 CA GLU A 17 17.247 2.863 2.668 1.00 0.38 C ATOM 146 C GLU A 17 15.781 2.903 3.090 1.00 0.35 C ATOM 147 O GLU A 17 15.187 3.975 3.176 1.00 0.34 O ATOM 148 CB GLU A 17 17.372 2.596 1.163 1.00 0.35 C ATOM 149 CG GLU A 17 18.723 2.972 0.585 1.00 0.39 C ATOM 150 CD GLU A 17 19.177 4.357 1.016 1.00 0.42 C ATOM 151 OE1 GLU A 17 18.410 5.321 0.833 1.00 0.39 O ATOM 152 OE2 GLU A 17 20.298 4.490 1.555 1.00 0.54 O ATOM 0 H GLU A 17 18.355 1.094 2.882 1.00 0.42 H new ATOM 0 HA GLU A 17 17.687 3.838 2.876 1.00 0.38 H new ATOM 0 HB2 GLU A 17 17.188 1.538 0.975 1.00 0.35 H new ATOM 0 HB3 GLU A 17 16.595 3.153 0.639 1.00 0.35 H new ATOM 0 HG2 GLU A 17 19.465 2.237 0.897 1.00 0.39 H new ATOM 0 HG3 GLU A 17 18.673 2.932 -0.503 1.00 0.39 H new ATOM 159 N LYS A 18 15.198 1.742 3.376 1.00 0.34 N ATOM 160 CA LYS A 18 13.818 1.693 3.841 1.00 0.34 C ATOM 161 C LYS A 18 13.693 2.362 5.205 1.00 0.40 C ATOM 162 O LYS A 18 12.712 3.048 5.474 1.00 0.41 O ATOM 163 CB LYS A 18 13.291 0.257 3.919 1.00 0.34 C ATOM 164 CG LYS A 18 11.829 0.182 4.349 1.00 0.33 C ATOM 165 CD LYS A 18 11.391 -1.234 4.705 1.00 0.36 C ATOM 166 CE LYS A 18 12.199 -1.823 5.856 1.00 0.50 C ATOM 167 NZ LYS A 18 11.995 -1.086 7.132 1.00 0.80 N ATOM 0 H LYS A 18 15.654 0.833 3.295 1.00 0.34 H new ATOM 0 HA LYS A 18 13.213 2.233 3.113 1.00 0.34 H new ATOM 0 HB2 LYS A 18 13.402 -0.219 2.945 1.00 0.34 H new ATOM 0 HB3 LYS A 18 13.901 -0.310 4.622 1.00 0.34 H new ATOM 0 HG2 LYS A 18 11.674 0.833 5.210 1.00 0.33 H new ATOM 0 HG3 LYS A 18 11.198 0.561 3.545 1.00 0.33 H new ATOM 0 HD2 LYS A 18 10.334 -1.227 4.973 1.00 0.36 H new ATOM 0 HD3 LYS A 18 11.494 -1.874 3.829 1.00 0.36 H new ATOM 0 HE2 LYS A 18 11.919 -2.867 5.995 1.00 0.50 H new ATOM 0 HE3 LYS A 18 13.258 -1.808 5.597 1.00 0.50 H new ATOM 0 HZ1 LYS A 18 12.498 -1.575 7.900 1.00 0.80 H new ATOM 0 HZ2 LYS A 18 12.365 -0.119 7.037 1.00 0.80 H new ATOM 0 HZ3 LYS A 18 10.979 -1.048 7.353 1.00 0.80 H new ATOM 181 N GLU A 19 14.687 2.162 6.064 1.00 0.46 N ATOM 182 CA GLU A 19 14.708 2.810 7.371 1.00 0.52 C ATOM 183 C GLU A 19 14.879 4.307 7.214 1.00 0.50 C ATOM 184 O GLU A 19 14.224 5.083 7.893 1.00 0.53 O ATOM 185 CB GLU A 19 15.835 2.257 8.239 1.00 0.58 C ATOM 186 CG GLU A 19 15.712 0.771 8.521 1.00 0.63 C ATOM 187 CD GLU A 19 16.816 0.266 9.421 1.00 1.32 C ATOM 188 OE1 GLU A 19 17.994 0.309 9.007 1.00 2.32 O ATOM 189 OE2 GLU A 19 16.512 -0.185 10.546 1.00 1.29 O ATOM 0 H GLU A 19 15.488 1.557 5.879 1.00 0.46 H new ATOM 0 HA GLU A 19 13.756 2.603 7.861 1.00 0.52 H new ATOM 0 HB2 GLU A 19 16.788 2.447 7.746 1.00 0.58 H new ATOM 0 HB3 GLU A 19 15.852 2.798 9.185 1.00 0.58 H new ATOM 0 HG2 GLU A 19 14.747 0.570 8.986 1.00 0.63 H new ATOM 0 HG3 GLU A 19 15.733 0.222 7.580 1.00 0.63 H new ATOM 196 N LEU A 20 15.762 4.702 6.311 1.00 0.47 N ATOM 197 CA LEU A 20 15.983 6.110 6.012 1.00 0.46 C ATOM 198 C LEU A 20 14.712 6.750 5.461 1.00 0.43 C ATOM 199 O LEU A 20 14.369 7.881 5.811 1.00 0.45 O ATOM 200 CB LEU A 20 17.129 6.252 5.005 1.00 0.45 C ATOM 201 CG LEU A 20 18.499 6.594 5.594 1.00 0.53 C ATOM 202 CD1 LEU A 20 18.494 8.003 6.146 1.00 0.58 C ATOM 203 CD2 LEU A 20 18.893 5.602 6.679 1.00 0.60 C ATOM 0 H LEU A 20 16.342 4.063 5.768 1.00 0.47 H new ATOM 0 HA LEU A 20 16.251 6.626 6.934 1.00 0.46 H new ATOM 0 HB2 LEU A 20 17.217 5.318 4.450 1.00 0.45 H new ATOM 0 HB3 LEU A 20 16.861 7.026 4.286 1.00 0.45 H new ATOM 0 HG LEU A 20 19.237 6.530 4.795 1.00 0.53 H new ATOM 0 HD11 LEU A 20 19.475 8.234 6.562 1.00 0.58 H new ATOM 0 HD12 LEU A 20 18.264 8.706 5.346 1.00 0.58 H new ATOM 0 HD13 LEU A 20 17.739 8.085 6.928 1.00 0.58 H new ATOM 0 HD21 LEU A 20 19.871 5.870 7.079 1.00 0.60 H new ATOM 0 HD22 LEU A 20 18.154 5.626 7.480 1.00 0.60 H new ATOM 0 HD23 LEU A 20 18.937 4.598 6.256 1.00 0.60 H new ATOM 215 N GLY A 21 14.030 6.020 4.587 1.00 0.39 N ATOM 216 CA GLY A 21 12.749 6.462 4.073 1.00 0.37 C ATOM 217 C GLY A 21 11.706 6.537 5.163 1.00 0.40 C ATOM 218 O GLY A 21 11.047 7.555 5.321 1.00 0.41 O ATOM 0 H GLY A 21 14.346 5.121 4.223 1.00 0.39 H new ATOM 0 HA2 GLY A 21 12.861 7.442 3.609 1.00 0.37 H new ATOM 0 HA3 GLY A 21 12.413 5.777 3.294 1.00 0.37 H new ATOM 222 N ASN A 22 11.582 5.467 5.932 1.00 0.43 N ATOM 223 CA ASN A 22 10.583 5.391 6.994 1.00 0.47 C ATOM 224 C ASN A 22 10.857 6.416 8.087 1.00 0.53 C ATOM 225 O ASN A 22 9.932 6.965 8.672 1.00 0.56 O ATOM 226 CB ASN A 22 10.546 3.987 7.598 1.00 0.52 C ATOM 227 CG ASN A 22 9.395 3.805 8.571 1.00 0.59 C ATOM 228 OD1 ASN A 22 9.547 3.984 9.779 1.00 1.27 O ATOM 229 ND2 ASN A 22 8.231 3.457 8.046 1.00 1.23 N ATOM 0 H ASN A 22 12.163 4.633 5.842 1.00 0.43 H new ATOM 0 HA ASN A 22 9.613 5.614 6.549 1.00 0.47 H new ATOM 0 HB2 ASN A 22 10.461 3.252 6.797 1.00 0.52 H new ATOM 0 HB3 ASN A 22 11.487 3.791 8.112 1.00 0.52 H new ATOM 0 HD21 ASN A 22 7.418 3.328 8.648 1.00 1.23 H new ATOM 0 HD22 ASN A 22 8.147 3.318 7.039 1.00 1.23 H new ATOM 236 N ASP A 23 12.130 6.662 8.358 1.00 0.54 N ATOM 237 CA ASP A 23 12.536 7.669 9.338 1.00 0.59 C ATOM 238 C ASP A 23 12.019 9.038 8.918 1.00 0.58 C ATOM 239 O ASP A 23 11.386 9.742 9.701 1.00 0.62 O ATOM 240 CB ASP A 23 14.061 7.712 9.457 1.00 0.61 C ATOM 241 CG ASP A 23 14.536 8.516 10.659 1.00 0.74 C ATOM 242 OD1 ASP A 23 14.335 9.748 10.686 1.00 0.79 O ATOM 243 OD2 ASP A 23 15.114 7.913 11.591 1.00 0.93 O ATOM 0 H ASP A 23 12.908 6.176 7.911 1.00 0.54 H new ATOM 0 HA ASP A 23 12.113 7.403 10.306 1.00 0.59 H new ATOM 0 HB2 ASP A 23 14.444 6.694 9.532 1.00 0.61 H new ATOM 0 HB3 ASP A 23 14.480 8.144 8.548 1.00 0.61 H new ATOM 248 N ALA A 24 12.270 9.393 7.664 1.00 0.53 N ATOM 249 CA ALA A 24 11.812 10.663 7.119 1.00 0.53 C ATOM 250 C ALA A 24 10.293 10.675 7.048 1.00 0.53 C ATOM 251 O ALA A 24 9.648 11.674 7.354 1.00 0.58 O ATOM 252 CB ALA A 24 12.417 10.889 5.745 1.00 0.49 C ATOM 0 H ALA A 24 12.791 8.816 7.004 1.00 0.53 H new ATOM 0 HA ALA A 24 12.136 11.473 7.773 1.00 0.53 H new ATOM 0 HB1 ALA A 24 12.068 11.842 5.346 1.00 0.49 H new ATOM 0 HB2 ALA A 24 13.504 10.905 5.824 1.00 0.49 H new ATOM 0 HB3 ALA A 24 12.114 10.083 5.077 1.00 0.49 H new ATOM 258 N TYR A 25 9.746 9.537 6.656 1.00 0.48 N ATOM 259 CA TYR A 25 8.307 9.307 6.614 1.00 0.49 C ATOM 260 C TYR A 25 7.683 9.558 7.976 1.00 0.59 C ATOM 261 O TYR A 25 6.606 10.144 8.095 1.00 0.63 O ATOM 262 CB TYR A 25 8.079 7.857 6.209 1.00 0.46 C ATOM 263 CG TYR A 25 6.639 7.443 6.137 1.00 0.48 C ATOM 264 CD1 TYR A 25 5.818 7.905 5.116 1.00 0.40 C ATOM 265 CD2 TYR A 25 6.096 6.613 7.099 1.00 0.64 C ATOM 266 CE1 TYR A 25 4.489 7.543 5.062 1.00 0.45 C ATOM 267 CE2 TYR A 25 4.770 6.250 7.057 1.00 0.68 C ATOM 268 CZ TYR A 25 3.993 6.645 5.969 1.00 0.54 C ATOM 269 OH TYR A 25 2.642 6.357 6.000 1.00 0.63 O ATOM 0 H TYR A 25 10.295 8.733 6.353 1.00 0.48 H new ATOM 0 HA TYR A 25 7.845 9.989 5.900 1.00 0.49 H new ATOM 0 HB2 TYR A 25 8.540 7.690 5.235 1.00 0.46 H new ATOM 0 HB3 TYR A 25 8.593 7.211 6.920 1.00 0.46 H new ATOM 0 HD1 TYR A 25 6.226 8.555 4.356 1.00 0.40 H new ATOM 0 HD2 TYR A 25 6.723 6.243 7.897 1.00 0.64 H new ATOM 0 HE1 TYR A 25 3.842 7.966 4.308 1.00 0.45 H new ATOM 0 HE2 TYR A 25 4.337 5.667 7.856 1.00 0.68 H new ATOM 0 HH TYR A 25 2.176 6.902 5.332 1.00 0.63 H new ATOM 279 N LYS A 26 8.390 9.106 8.991 1.00 0.65 N ATOM 280 CA LYS A 26 7.966 9.222 10.369 1.00 0.77 C ATOM 281 C LYS A 26 7.984 10.685 10.809 1.00 0.81 C ATOM 282 O LYS A 26 7.269 11.085 11.727 1.00 0.94 O ATOM 283 CB LYS A 26 8.910 8.376 11.218 1.00 0.82 C ATOM 284 CG LYS A 26 8.470 8.159 12.648 1.00 0.86 C ATOM 285 CD LYS A 26 9.298 7.066 13.300 1.00 1.03 C ATOM 286 CE LYS A 26 9.061 5.717 12.636 1.00 0.90 C ATOM 287 NZ LYS A 26 9.776 4.620 13.339 1.00 1.62 N ATOM 0 H LYS A 26 9.290 8.640 8.879 1.00 0.65 H new ATOM 0 HA LYS A 26 6.943 8.865 10.489 1.00 0.77 H new ATOM 0 HB2 LYS A 26 9.030 7.404 10.740 1.00 0.82 H new ATOM 0 HB3 LYS A 26 9.891 8.851 11.225 1.00 0.82 H new ATOM 0 HG2 LYS A 26 8.574 9.087 13.211 1.00 0.86 H new ATOM 0 HG3 LYS A 26 7.415 7.887 12.673 1.00 0.86 H new ATOM 0 HD2 LYS A 26 10.355 7.323 13.238 1.00 1.03 H new ATOM 0 HD3 LYS A 26 9.048 7.001 14.359 1.00 1.03 H new ATOM 0 HE2 LYS A 26 7.992 5.503 12.621 1.00 0.90 H new ATOM 0 HE3 LYS A 26 9.392 5.760 11.598 1.00 0.90 H new ATOM 0 HZ1 LYS A 26 9.589 3.718 12.856 1.00 1.62 H new ATOM 0 HZ2 LYS A 26 10.798 4.811 13.332 1.00 1.62 H new ATOM 0 HZ3 LYS A 26 9.442 4.562 14.322 1.00 1.62 H new ATOM 301 N LYS A 27 8.811 11.476 10.137 1.00 0.75 N ATOM 302 CA LYS A 27 8.882 12.916 10.368 1.00 0.80 C ATOM 303 C LYS A 27 8.043 13.645 9.320 1.00 0.79 C ATOM 304 O LYS A 27 8.131 14.865 9.170 1.00 0.84 O ATOM 305 CB LYS A 27 10.337 13.403 10.302 1.00 0.80 C ATOM 306 CG LYS A 27 11.153 13.163 11.570 1.00 1.16 C ATOM 307 CD LYS A 27 11.164 11.702 11.990 1.00 1.58 C ATOM 308 CE LYS A 27 12.176 11.439 13.091 1.00 1.93 C ATOM 309 NZ LYS A 27 13.576 11.541 12.597 1.00 2.31 N ATOM 0 H LYS A 27 9.451 11.140 9.417 1.00 0.75 H new ATOM 0 HA LYS A 27 8.490 13.131 11.362 1.00 0.80 H new ATOM 0 HB2 LYS A 27 10.834 12.907 9.468 1.00 0.80 H new ATOM 0 HB3 LYS A 27 10.338 14.471 10.083 1.00 0.80 H new ATOM 0 HG2 LYS A 27 12.177 13.498 11.407 1.00 1.16 H new ATOM 0 HG3 LYS A 27 10.745 13.767 12.380 1.00 1.16 H new ATOM 0 HD2 LYS A 27 10.170 11.415 12.334 1.00 1.58 H new ATOM 0 HD3 LYS A 27 11.395 11.078 11.127 1.00 1.58 H new ATOM 0 HE2 LYS A 27 12.024 12.153 13.901 1.00 1.93 H new ATOM 0 HE3 LYS A 27 12.010 10.445 13.507 1.00 1.93 H new ATOM 0 HZ1 LYS A 27 14.223 11.130 13.300 1.00 2.31 H new ATOM 0 HZ2 LYS A 27 13.666 11.024 11.699 1.00 2.31 H new ATOM 0 HZ3 LYS A 27 13.819 12.541 12.446 1.00 2.31 H new ATOM 323 N LYS A 28 7.247 12.865 8.589 1.00 0.77 N ATOM 324 CA LYS A 28 6.377 13.363 7.523 1.00 0.80 C ATOM 325 C LYS A 28 7.142 14.145 6.459 1.00 0.71 C ATOM 326 O LYS A 28 6.586 15.028 5.801 1.00 0.75 O ATOM 327 CB LYS A 28 5.242 14.203 8.092 1.00 0.96 C ATOM 328 CG LYS A 28 4.389 13.447 9.097 1.00 1.07 C ATOM 329 CD LYS A 28 3.333 14.336 9.729 1.00 1.24 C ATOM 330 CE LYS A 28 2.232 14.698 8.744 1.00 1.77 C ATOM 331 NZ LYS A 28 1.427 13.509 8.349 1.00 2.39 N ATOM 0 H LYS A 28 7.187 11.856 8.722 1.00 0.77 H new ATOM 0 HA LYS A 28 5.953 12.487 7.033 1.00 0.80 H new ATOM 0 HB2 LYS A 28 5.658 15.089 8.571 1.00 0.96 H new ATOM 0 HB3 LYS A 28 4.609 14.550 7.275 1.00 0.96 H new ATOM 0 HG2 LYS A 28 3.905 12.605 8.601 1.00 1.07 H new ATOM 0 HG3 LYS A 28 5.028 13.033 9.877 1.00 1.07 H new ATOM 0 HD2 LYS A 28 2.898 13.827 10.589 1.00 1.24 H new ATOM 0 HD3 LYS A 28 3.801 15.247 10.101 1.00 1.24 H new ATOM 0 HE2 LYS A 28 1.578 15.447 9.190 1.00 1.77 H new ATOM 0 HE3 LYS A 28 2.674 15.149 7.855 1.00 1.77 H new ATOM 0 HZ1 LYS A 28 0.636 13.810 7.744 1.00 2.39 H new ATOM 0 HZ2 LYS A 28 2.028 12.841 7.825 1.00 2.39 H new ATOM 0 HZ3 LYS A 28 1.054 13.044 9.201 1.00 2.39 H new ATOM 345 N ASP A 29 8.413 13.815 6.291 1.00 0.64 N ATOM 346 CA ASP A 29 9.191 14.332 5.179 1.00 0.59 C ATOM 347 C ASP A 29 8.952 13.432 3.983 1.00 0.50 C ATOM 348 O ASP A 29 9.804 12.628 3.613 1.00 0.47 O ATOM 349 CB ASP A 29 10.678 14.386 5.511 1.00 0.60 C ATOM 350 CG ASP A 29 11.261 15.761 5.276 1.00 0.93 C ATOM 351 OD1 ASP A 29 11.190 16.605 6.193 1.00 1.62 O ATOM 352 OD2 ASP A 29 11.778 16.010 4.169 1.00 1.39 O ATOM 0 H ASP A 29 8.927 13.190 6.912 1.00 0.64 H new ATOM 0 HA ASP A 29 8.876 15.353 4.962 1.00 0.59 H new ATOM 0 HB2 ASP A 29 10.827 14.102 6.553 1.00 0.60 H new ATOM 0 HB3 ASP A 29 11.212 13.657 4.902 1.00 0.60 H new ATOM 357 N PHE A 30 7.773 13.580 3.397 1.00 0.49 N ATOM 358 CA PHE A 30 7.240 12.607 2.452 1.00 0.44 C ATOM 359 C PHE A 30 8.144 12.395 1.238 1.00 0.42 C ATOM 360 O PHE A 30 8.442 11.257 0.890 1.00 0.43 O ATOM 361 CB PHE A 30 5.828 13.014 2.020 1.00 0.45 C ATOM 362 CG PHE A 30 4.872 13.167 3.178 1.00 0.50 C ATOM 363 CD1 PHE A 30 4.754 12.176 4.148 1.00 0.52 C ATOM 364 CD2 PHE A 30 4.091 14.305 3.296 1.00 0.64 C ATOM 365 CE1 PHE A 30 3.877 12.325 5.205 1.00 0.58 C ATOM 366 CE2 PHE A 30 3.212 14.455 4.353 1.00 0.71 C ATOM 367 CZ PHE A 30 3.105 13.466 5.307 1.00 0.66 C ATOM 0 H PHE A 30 7.158 14.377 3.562 1.00 0.49 H new ATOM 0 HA PHE A 30 7.197 11.648 2.968 1.00 0.44 H new ATOM 0 HB2 PHE A 30 5.880 13.956 1.473 1.00 0.45 H new ATOM 0 HB3 PHE A 30 5.436 12.266 1.330 1.00 0.45 H new ATOM 0 HD1 PHE A 30 5.354 11.281 4.074 1.00 0.52 H new ATOM 0 HD2 PHE A 30 4.170 15.085 2.553 1.00 0.64 H new ATOM 0 HE1 PHE A 30 3.795 11.549 5.952 1.00 0.58 H new ATOM 0 HE2 PHE A 30 2.609 15.348 4.431 1.00 0.71 H new ATOM 0 HZ PHE A 30 2.419 13.583 6.133 1.00 0.66 H new ATOM 377 N ASP A 31 8.596 13.468 0.602 1.00 0.46 N ATOM 378 CA ASP A 31 9.461 13.326 -0.571 1.00 0.48 C ATOM 379 C ASP A 31 10.786 12.677 -0.199 1.00 0.44 C ATOM 380 O ASP A 31 11.312 11.858 -0.945 1.00 0.42 O ATOM 381 CB ASP A 31 9.715 14.666 -1.260 1.00 0.57 C ATOM 382 CG ASP A 31 8.584 15.068 -2.183 1.00 1.30 C ATOM 383 OD1 ASP A 31 8.560 14.608 -3.342 1.00 1.93 O ATOM 384 OD2 ASP A 31 7.702 15.842 -1.745 1.00 1.61 O ATOM 0 H ASP A 31 8.386 14.430 0.868 1.00 0.46 H new ATOM 0 HA ASP A 31 8.934 12.680 -1.273 1.00 0.48 H new ATOM 0 HB2 ASP A 31 9.855 15.439 -0.504 1.00 0.57 H new ATOM 0 HB3 ASP A 31 10.642 14.607 -1.831 1.00 0.57 H new ATOM 389 N THR A 32 11.312 13.043 0.957 1.00 0.45 N ATOM 390 CA THR A 32 12.538 12.449 1.478 1.00 0.45 C ATOM 391 C THR A 32 12.322 10.970 1.808 1.00 0.39 C ATOM 392 O THR A 32 13.175 10.124 1.528 1.00 0.38 O ATOM 393 CB THR A 32 12.980 13.208 2.739 1.00 0.50 C ATOM 394 OG1 THR A 32 13.169 14.594 2.427 1.00 0.57 O ATOM 395 CG2 THR A 32 14.256 12.640 3.329 1.00 0.52 C ATOM 0 H THR A 32 10.906 13.757 1.561 1.00 0.45 H new ATOM 0 HA THR A 32 13.315 12.522 0.717 1.00 0.45 H new ATOM 0 HB THR A 32 12.193 13.095 3.484 1.00 0.50 H new ATOM 0 HG1 THR A 32 12.648 15.143 3.049 1.00 0.57 H new ATOM 0 HG21 THR A 32 14.530 13.208 4.218 1.00 0.52 H new ATOM 0 HG22 THR A 32 14.099 11.596 3.599 1.00 0.52 H new ATOM 0 HG23 THR A 32 15.058 12.707 2.594 1.00 0.52 H new ATOM 403 N ALA A 33 11.175 10.671 2.397 1.00 0.38 N ATOM 404 CA ALA A 33 10.789 9.300 2.696 1.00 0.36 C ATOM 405 C ALA A 33 10.717 8.484 1.423 1.00 0.30 C ATOM 406 O ALA A 33 11.407 7.473 1.271 1.00 0.28 O ATOM 407 CB ALA A 33 9.440 9.283 3.388 1.00 0.39 C ATOM 0 H ALA A 33 10.487 11.369 2.681 1.00 0.38 H new ATOM 0 HA ALA A 33 11.539 8.863 3.355 1.00 0.36 H new ATOM 0 HB1 ALA A 33 9.157 8.254 3.609 1.00 0.39 H new ATOM 0 HB2 ALA A 33 9.500 9.850 4.317 1.00 0.39 H new ATOM 0 HB3 ALA A 33 8.691 9.733 2.736 1.00 0.39 H new ATOM 413 N LEU A 34 9.892 8.960 0.504 1.00 0.29 N ATOM 414 CA LEU A 34 9.664 8.299 -0.766 1.00 0.26 C ATOM 415 C LEU A 34 10.964 8.208 -1.561 1.00 0.26 C ATOM 416 O LEU A 34 11.129 7.334 -2.404 1.00 0.26 O ATOM 417 CB LEU A 34 8.602 9.070 -1.543 1.00 0.28 C ATOM 418 CG LEU A 34 7.763 8.239 -2.510 1.00 0.33 C ATOM 419 CD1 LEU A 34 8.320 8.297 -3.916 1.00 0.81 C ATOM 420 CD2 LEU A 34 7.700 6.802 -2.050 1.00 0.53 C ATOM 0 H LEU A 34 9.359 9.822 0.622 1.00 0.29 H new ATOM 0 HA LEU A 34 9.312 7.282 -0.592 1.00 0.26 H new ATOM 0 HB2 LEU A 34 7.933 9.551 -0.830 1.00 0.28 H new ATOM 0 HB3 LEU A 34 9.093 9.864 -2.105 1.00 0.28 H new ATOM 0 HG LEU A 34 6.758 8.662 -2.520 1.00 0.33 H new ATOM 0 HD11 LEU A 34 7.699 7.694 -4.579 1.00 0.81 H new ATOM 0 HD12 LEU A 34 8.325 9.330 -4.263 1.00 0.81 H new ATOM 0 HD13 LEU A 34 9.338 7.908 -3.920 1.00 0.81 H new ATOM 0 HD21 LEU A 34 7.098 6.222 -2.750 1.00 0.53 H new ATOM 0 HD22 LEU A 34 8.708 6.389 -2.009 1.00 0.53 H new ATOM 0 HD23 LEU A 34 7.248 6.757 -1.059 1.00 0.53 H new ATOM 432 N LYS A 35 11.880 9.116 -1.263 1.00 0.31 N ATOM 433 CA LYS A 35 13.182 9.162 -1.912 1.00 0.33 C ATOM 434 C LYS A 35 14.009 7.931 -1.551 1.00 0.29 C ATOM 435 O LYS A 35 14.561 7.267 -2.427 1.00 0.30 O ATOM 436 CB LYS A 35 13.919 10.427 -1.464 1.00 0.40 C ATOM 437 CG LYS A 35 14.897 10.994 -2.477 1.00 0.49 C ATOM 438 CD LYS A 35 14.183 11.544 -3.704 1.00 0.53 C ATOM 439 CE LYS A 35 13.277 12.722 -3.360 1.00 0.60 C ATOM 440 NZ LYS A 35 14.040 13.895 -2.859 1.00 1.41 N ATOM 0 H LYS A 35 11.742 9.844 -0.562 1.00 0.31 H new ATOM 0 HA LYS A 35 13.039 9.175 -2.993 1.00 0.33 H new ATOM 0 HB2 LYS A 35 13.182 11.193 -1.225 1.00 0.40 H new ATOM 0 HB3 LYS A 35 14.460 10.207 -0.543 1.00 0.40 H new ATOM 0 HG2 LYS A 35 15.484 11.786 -2.012 1.00 0.49 H new ATOM 0 HG3 LYS A 35 15.597 10.216 -2.782 1.00 0.49 H new ATOM 0 HD2 LYS A 35 14.921 11.858 -4.442 1.00 0.53 H new ATOM 0 HD3 LYS A 35 13.590 10.753 -4.163 1.00 0.53 H new ATOM 0 HE2 LYS A 35 12.710 13.012 -4.245 1.00 0.60 H new ATOM 0 HE3 LYS A 35 12.554 12.413 -2.605 1.00 0.60 H new ATOM 0 HZ1 LYS A 35 13.409 14.720 -2.800 1.00 1.41 H new ATOM 0 HZ2 LYS A 35 14.422 13.683 -1.915 1.00 1.41 H new ATOM 0 HZ3 LYS A 35 14.823 14.104 -3.511 1.00 1.41 H new ATOM 454 N HIS A 36 14.084 7.621 -0.260 1.00 0.29 N ATOM 455 CA HIS A 36 14.853 6.464 0.189 1.00 0.29 C ATOM 456 C HIS A 36 14.067 5.194 -0.033 1.00 0.25 C ATOM 457 O HIS A 36 14.641 4.139 -0.263 1.00 0.27 O ATOM 458 CB HIS A 36 15.226 6.557 1.661 1.00 0.38 C ATOM 459 CG HIS A 36 16.089 7.718 2.001 1.00 0.38 C ATOM 460 ND1 HIS A 36 17.450 7.719 1.812 1.00 0.43 N ATOM 461 CD2 HIS A 36 15.778 8.914 2.536 1.00 0.40 C ATOM 462 CE1 HIS A 36 17.945 8.871 2.217 1.00 0.47 C ATOM 463 NE2 HIS A 36 16.950 9.620 2.662 1.00 0.46 N ATOM 0 H HIS A 36 13.628 8.147 0.486 1.00 0.29 H new ATOM 0 HA HIS A 36 15.771 6.450 -0.398 1.00 0.29 H new ATOM 0 HB2 HIS A 36 14.312 6.613 2.252 1.00 0.38 H new ATOM 0 HB3 HIS A 36 15.739 5.640 1.952 1.00 0.38 H new ATOM 0 HD1 HIS A 36 17.992 6.949 1.420 1.00 0.43 H new ATOM 0 HD2 HIS A 36 14.792 9.255 2.814 1.00 0.40 H new ATOM 0 HE1 HIS A 36 18.987 9.155 2.190 1.00 0.47 H new ATOM 472 N TYR A 37 12.749 5.293 0.054 1.00 0.22 N ATOM 473 CA TYR A 37 11.892 4.173 -0.296 1.00 0.21 C ATOM 474 C TYR A 37 12.128 3.792 -1.749 1.00 0.21 C ATOM 475 O TYR A 37 12.153 2.616 -2.103 1.00 0.24 O ATOM 476 CB TYR A 37 10.422 4.525 -0.094 1.00 0.22 C ATOM 477 CG TYR A 37 9.946 4.521 1.347 1.00 0.23 C ATOM 478 CD1 TYR A 37 10.350 3.539 2.250 1.00 0.33 C ATOM 479 CD2 TYR A 37 9.037 5.473 1.784 1.00 0.37 C ATOM 480 CE1 TYR A 37 9.862 3.520 3.542 1.00 0.40 C ATOM 481 CE2 TYR A 37 8.536 5.448 3.067 1.00 0.41 C ATOM 482 CZ TYR A 37 8.950 4.473 3.941 1.00 0.36 C ATOM 483 OH TYR A 37 8.430 4.434 5.213 1.00 0.48 O ATOM 0 H TYR A 37 12.254 6.130 0.361 1.00 0.22 H new ATOM 0 HA TYR A 37 12.137 3.334 0.355 1.00 0.21 H new ATOM 0 HB2 TYR A 37 10.241 5.513 -0.516 1.00 0.22 H new ATOM 0 HB3 TYR A 37 9.815 3.820 -0.662 1.00 0.22 H new ATOM 0 HD1 TYR A 37 11.054 2.783 1.935 1.00 0.33 H new ATOM 0 HD2 TYR A 37 8.716 6.249 1.105 1.00 0.37 H new ATOM 0 HE1 TYR A 37 10.194 2.762 4.236 1.00 0.40 H new ATOM 0 HE2 TYR A 37 7.821 6.192 3.384 1.00 0.41 H new ATOM 0 HH TYR A 37 7.920 5.254 5.383 1.00 0.48 H new ATOM 493 N ASP A 38 12.313 4.813 -2.577 1.00 0.25 N ATOM 494 CA ASP A 38 12.602 4.630 -3.992 1.00 0.31 C ATOM 495 C ASP A 38 13.966 3.985 -4.168 1.00 0.30 C ATOM 496 O ASP A 38 14.159 3.126 -5.028 1.00 0.32 O ATOM 497 CB ASP A 38 12.580 5.983 -4.704 1.00 0.42 C ATOM 498 CG ASP A 38 12.489 5.849 -6.211 1.00 0.78 C ATOM 499 OD1 ASP A 38 11.388 5.549 -6.723 1.00 0.68 O ATOM 500 OD2 ASP A 38 13.521 6.025 -6.890 1.00 1.51 O ATOM 0 H ASP A 38 12.267 5.789 -2.286 1.00 0.25 H new ATOM 0 HA ASP A 38 11.842 3.980 -4.425 1.00 0.31 H new ATOM 0 HB2 ASP A 38 11.732 6.565 -4.343 1.00 0.42 H new ATOM 0 HB3 ASP A 38 13.481 6.539 -4.446 1.00 0.42 H new ATOM 505 N LYS A 39 14.904 4.411 -3.334 1.00 0.30 N ATOM 506 CA LYS A 39 16.252 3.872 -3.346 1.00 0.32 C ATOM 507 C LYS A 39 16.242 2.415 -2.889 1.00 0.29 C ATOM 508 O LYS A 39 16.864 1.564 -3.510 1.00 0.32 O ATOM 509 CB LYS A 39 17.156 4.715 -2.445 1.00 0.35 C ATOM 510 CG LYS A 39 18.631 4.409 -2.613 1.00 0.41 C ATOM 511 CD LYS A 39 19.099 4.698 -4.029 1.00 0.47 C ATOM 512 CE LYS A 39 20.520 4.222 -4.237 1.00 0.54 C ATOM 513 NZ LYS A 39 20.969 4.385 -5.644 1.00 1.25 N ATOM 0 H LYS A 39 14.751 5.137 -2.634 1.00 0.30 H new ATOM 0 HA LYS A 39 16.642 3.908 -4.363 1.00 0.32 H new ATOM 0 HB2 LYS A 39 16.985 5.770 -2.658 1.00 0.35 H new ATOM 0 HB3 LYS A 39 16.875 4.550 -1.405 1.00 0.35 H new ATOM 0 HG2 LYS A 39 19.210 5.005 -1.908 1.00 0.41 H new ATOM 0 HG3 LYS A 39 18.817 3.362 -2.373 1.00 0.41 H new ATOM 0 HD2 LYS A 39 18.438 4.205 -4.742 1.00 0.47 H new ATOM 0 HD3 LYS A 39 19.038 5.768 -4.225 1.00 0.47 H new ATOM 0 HE2 LYS A 39 21.187 4.778 -3.578 1.00 0.54 H new ATOM 0 HE3 LYS A 39 20.594 3.172 -3.954 1.00 0.54 H new ATOM 0 HZ1 LYS A 39 22.000 4.257 -5.696 1.00 1.25 H new ATOM 0 HZ2 LYS A 39 20.501 3.674 -6.242 1.00 1.25 H new ATOM 0 HZ3 LYS A 39 20.721 5.338 -5.980 1.00 1.25 H new ATOM 527 N ALA A 40 15.513 2.133 -1.817 1.00 0.25 N ATOM 528 CA ALA A 40 15.375 0.772 -1.308 1.00 0.24 C ATOM 529 C ALA A 40 14.717 -0.120 -2.350 1.00 0.22 C ATOM 530 O ALA A 40 15.128 -1.257 -2.558 1.00 0.26 O ATOM 531 CB ALA A 40 14.560 0.772 -0.021 1.00 0.22 C ATOM 0 H ALA A 40 15.004 2.834 -1.279 1.00 0.25 H new ATOM 0 HA ALA A 40 16.368 0.378 -1.093 1.00 0.24 H new ATOM 0 HB1 ALA A 40 14.464 -0.249 0.349 1.00 0.22 H new ATOM 0 HB2 ALA A 40 15.063 1.384 0.728 1.00 0.22 H new ATOM 0 HB3 ALA A 40 13.569 1.181 -0.218 1.00 0.22 H new ATOM 537 N LYS A 41 13.697 0.422 -2.999 1.00 0.23 N ATOM 538 CA LYS A 41 12.998 -0.258 -4.083 1.00 0.26 C ATOM 539 C LYS A 41 13.946 -0.531 -5.249 1.00 0.31 C ATOM 540 O LYS A 41 13.795 -1.509 -5.979 1.00 0.37 O ATOM 541 CB LYS A 41 11.835 0.621 -4.536 1.00 0.29 C ATOM 542 CG LYS A 41 11.041 0.092 -5.714 1.00 0.41 C ATOM 543 CD LYS A 41 10.023 1.128 -6.147 1.00 0.78 C ATOM 544 CE LYS A 41 9.219 0.694 -7.355 1.00 0.89 C ATOM 545 NZ LYS A 41 8.437 1.831 -7.913 1.00 1.37 N ATOM 0 H LYS A 41 13.328 1.350 -2.789 1.00 0.23 H new ATOM 0 HA LYS A 41 12.622 -1.218 -3.731 1.00 0.26 H new ATOM 0 HB2 LYS A 41 11.156 0.758 -3.694 1.00 0.29 H new ATOM 0 HB3 LYS A 41 12.225 1.605 -4.795 1.00 0.29 H new ATOM 0 HG2 LYS A 41 11.711 -0.142 -6.541 1.00 0.41 H new ATOM 0 HG3 LYS A 41 10.537 -0.835 -5.439 1.00 0.41 H new ATOM 0 HD2 LYS A 41 9.344 1.331 -5.319 1.00 0.78 H new ATOM 0 HD3 LYS A 41 10.537 2.062 -6.375 1.00 0.78 H new ATOM 0 HE2 LYS A 41 9.889 0.299 -8.119 1.00 0.89 H new ATOM 0 HE3 LYS A 41 8.543 -0.114 -7.075 1.00 0.89 H new ATOM 0 HZ1 LYS A 41 7.567 1.471 -8.354 1.00 1.37 H new ATOM 0 HZ2 LYS A 41 8.190 2.491 -7.148 1.00 1.37 H new ATOM 0 HZ3 LYS A 41 9.007 2.327 -8.627 1.00 1.37 H new ATOM 559 N GLU A 42 14.918 0.353 -5.419 1.00 0.32 N ATOM 560 CA GLU A 42 15.939 0.187 -6.439 1.00 0.38 C ATOM 561 C GLU A 42 16.938 -0.884 -6.010 1.00 0.40 C ATOM 562 O GLU A 42 17.312 -1.755 -6.796 1.00 0.50 O ATOM 563 CB GLU A 42 16.660 1.516 -6.676 1.00 0.43 C ATOM 564 CG GLU A 42 17.700 1.465 -7.778 1.00 1.11 C ATOM 565 CD GLU A 42 18.500 2.745 -7.875 1.00 1.81 C ATOM 566 OE1 GLU A 42 18.039 3.694 -8.538 1.00 2.03 O ATOM 567 OE2 GLU A 42 19.595 2.812 -7.281 1.00 2.78 O ATOM 0 H GLU A 42 15.020 1.199 -4.858 1.00 0.32 H new ATOM 0 HA GLU A 42 15.465 -0.128 -7.368 1.00 0.38 H new ATOM 0 HB2 GLU A 42 15.922 2.279 -6.922 1.00 0.43 H new ATOM 0 HB3 GLU A 42 17.142 1.826 -5.749 1.00 0.43 H new ATOM 0 HG2 GLU A 42 18.376 0.630 -7.597 1.00 1.11 H new ATOM 0 HG3 GLU A 42 17.207 1.275 -8.731 1.00 1.11 H new ATOM 574 N LEU A 43 17.355 -0.808 -4.749 1.00 0.36 N ATOM 575 CA LEU A 43 18.313 -1.752 -4.189 1.00 0.39 C ATOM 576 C LEU A 43 17.750 -3.161 -4.191 1.00 0.39 C ATOM 577 O LEU A 43 18.403 -4.090 -4.665 1.00 0.49 O ATOM 578 CB LEU A 43 18.726 -1.338 -2.779 1.00 0.39 C ATOM 579 CG LEU A 43 19.935 -0.408 -2.716 1.00 0.43 C ATOM 580 CD1 LEU A 43 19.716 0.794 -3.587 1.00 0.42 C ATOM 581 CD2 LEU A 43 20.194 0.040 -1.301 1.00 0.45 C ATOM 0 H LEU A 43 17.040 -0.095 -4.092 1.00 0.36 H new ATOM 0 HA LEU A 43 19.202 -1.741 -4.820 1.00 0.39 H new ATOM 0 HB2 LEU A 43 17.881 -0.846 -2.297 1.00 0.39 H new ATOM 0 HB3 LEU A 43 18.945 -2.236 -2.201 1.00 0.39 H new ATOM 0 HG LEU A 43 20.802 -0.962 -3.075 1.00 0.43 H new ATOM 0 HD11 LEU A 43 20.587 1.447 -3.531 1.00 0.42 H new ATOM 0 HD12 LEU A 43 19.568 0.474 -4.618 1.00 0.42 H new ATOM 0 HD13 LEU A 43 18.834 1.335 -3.245 1.00 0.42 H new ATOM 0 HD21 LEU A 43 21.060 0.702 -1.282 1.00 0.45 H new ATOM 0 HD22 LEU A 43 19.322 0.573 -0.923 1.00 0.45 H new ATOM 0 HD23 LEU A 43 20.388 -0.830 -0.674 1.00 0.45 H new ATOM 593 N ASP A 44 16.544 -3.331 -3.671 1.00 0.32 N ATOM 594 CA ASP A 44 15.884 -4.615 -3.774 1.00 0.33 C ATOM 595 C ASP A 44 14.395 -4.463 -4.044 1.00 0.32 C ATOM 596 O ASP A 44 13.607 -4.225 -3.132 1.00 0.33 O ATOM 597 CB ASP A 44 16.102 -5.487 -2.541 1.00 0.40 C ATOM 598 CG ASP A 44 15.632 -6.908 -2.788 1.00 0.46 C ATOM 599 OD1 ASP A 44 16.346 -7.653 -3.491 1.00 1.11 O ATOM 600 OD2 ASP A 44 14.539 -7.277 -2.312 1.00 0.52 O ATOM 0 H ASP A 44 16.014 -2.609 -3.183 1.00 0.32 H new ATOM 0 HA ASP A 44 16.345 -5.118 -4.624 1.00 0.33 H new ATOM 0 HB2 ASP A 44 17.159 -5.491 -2.277 1.00 0.40 H new ATOM 0 HB3 ASP A 44 15.563 -5.065 -1.693 1.00 0.40 H new ATOM 605 N PRO A 45 13.989 -4.604 -5.313 1.00 0.41 N ATOM 606 CA PRO A 45 12.586 -4.505 -5.710 1.00 0.49 C ATOM 607 C PRO A 45 11.760 -5.695 -5.233 1.00 0.47 C ATOM 608 O PRO A 45 10.549 -5.588 -5.056 1.00 0.59 O ATOM 609 CB PRO A 45 12.651 -4.485 -7.236 1.00 0.64 C ATOM 610 CG PRO A 45 13.893 -5.233 -7.550 1.00 0.63 C ATOM 611 CD PRO A 45 14.865 -4.857 -6.469 1.00 0.52 C ATOM 0 HA PRO A 45 12.103 -3.630 -5.275 1.00 0.49 H new ATOM 0 HB2 PRO A 45 11.776 -4.960 -7.679 1.00 0.64 H new ATOM 0 HB3 PRO A 45 12.690 -3.466 -7.621 1.00 0.64 H new ATOM 0 HG2 PRO A 45 13.713 -6.308 -7.561 1.00 0.63 H new ATOM 0 HG3 PRO A 45 14.276 -4.964 -8.534 1.00 0.63 H new ATOM 0 HD2 PRO A 45 15.577 -5.658 -6.269 1.00 0.52 H new ATOM 0 HD3 PRO A 45 15.446 -3.974 -6.737 1.00 0.52 H new ATOM 619 N THR A 46 12.427 -6.825 -5.010 1.00 0.39 N ATOM 620 CA THR A 46 11.741 -8.049 -4.631 1.00 0.40 C ATOM 621 C THR A 46 11.247 -7.995 -3.187 1.00 0.40 C ATOM 622 O THR A 46 10.476 -8.849 -2.749 1.00 0.42 O ATOM 623 CB THR A 46 12.629 -9.284 -4.854 1.00 0.42 C ATOM 624 OG1 THR A 46 13.903 -9.125 -4.215 1.00 0.45 O ATOM 625 CG2 THR A 46 12.837 -9.523 -6.343 1.00 0.46 C ATOM 0 H THR A 46 13.440 -6.914 -5.086 1.00 0.39 H new ATOM 0 HA THR A 46 10.869 -8.138 -5.279 1.00 0.40 H new ATOM 0 HB THR A 46 12.122 -10.143 -4.415 1.00 0.42 H new ATOM 0 HG1 THR A 46 13.821 -8.487 -3.476 1.00 0.45 H new ATOM 0 HG21 THR A 46 13.468 -10.400 -6.486 1.00 0.46 H new ATOM 0 HG22 THR A 46 11.872 -9.687 -6.823 1.00 0.46 H new ATOM 0 HG23 THR A 46 13.320 -8.653 -6.787 1.00 0.46 H new ATOM 633 N ASN A 47 11.693 -6.990 -2.450 1.00 0.52 N ATOM 634 CA ASN A 47 11.162 -6.728 -1.125 1.00 0.56 C ATOM 635 C ASN A 47 9.948 -5.830 -1.248 1.00 0.56 C ATOM 636 O ASN A 47 10.069 -4.602 -1.279 1.00 0.89 O ATOM 637 CB ASN A 47 12.208 -6.066 -0.239 1.00 0.78 C ATOM 638 CG ASN A 47 11.798 -6.039 1.218 1.00 1.51 C ATOM 639 OD1 ASN A 47 12.077 -6.975 1.968 1.00 2.13 O ATOM 640 ND2 ASN A 47 11.143 -4.965 1.633 1.00 1.47 N ATOM 0 H ASN A 47 12.422 -6.343 -2.749 1.00 0.52 H new ATOM 0 HA ASN A 47 10.881 -7.675 -0.664 1.00 0.56 H new ATOM 0 HB2 ASN A 47 13.154 -6.599 -0.338 1.00 0.78 H new ATOM 0 HB3 ASN A 47 12.380 -5.046 -0.584 1.00 0.78 H new ATOM 0 HD21 ASN A 47 10.850 -4.891 2.607 1.00 1.47 H new ATOM 0 HD22 ASN A 47 10.932 -4.212 0.978 1.00 1.47 H new ATOM 647 N MET A 48 8.780 -6.453 -1.303 1.00 0.29 N ATOM 648 CA MET A 48 7.539 -5.748 -1.594 1.00 0.26 C ATOM 649 C MET A 48 7.286 -4.606 -0.612 1.00 0.24 C ATOM 650 O MET A 48 6.645 -3.613 -0.956 1.00 0.24 O ATOM 651 CB MET A 48 6.357 -6.713 -1.566 1.00 0.22 C ATOM 652 CG MET A 48 5.911 -7.114 -0.173 1.00 0.19 C ATOM 653 SD MET A 48 4.367 -8.030 -0.189 1.00 1.05 S ATOM 654 CE MET A 48 3.275 -6.818 -0.927 1.00 0.27 C ATOM 0 H MET A 48 8.665 -7.455 -1.148 1.00 0.29 H new ATOM 0 HA MET A 48 7.641 -5.321 -2.592 1.00 0.26 H new ATOM 0 HB2 MET A 48 5.516 -6.254 -2.086 1.00 0.22 H new ATOM 0 HB3 MET A 48 6.624 -7.612 -2.122 1.00 0.22 H new ATOM 0 HG2 MET A 48 6.686 -7.722 0.293 1.00 0.19 H new ATOM 0 HG3 MET A 48 5.794 -6.220 0.440 1.00 0.19 H new ATOM 0 HE1 MET A 48 2.428 -6.640 -0.264 1.00 0.27 H new ATOM 0 HE2 MET A 48 3.818 -5.885 -1.081 1.00 0.27 H new ATOM 0 HE3 MET A 48 2.913 -7.190 -1.886 1.00 0.27 H new ATOM 664 N THR A 49 7.808 -4.748 0.600 1.00 0.24 N ATOM 665 CA THR A 49 7.596 -3.767 1.649 1.00 0.26 C ATOM 666 C THR A 49 8.149 -2.393 1.268 1.00 0.28 C ATOM 667 O THR A 49 7.617 -1.366 1.689 1.00 0.39 O ATOM 668 CB THR A 49 8.228 -4.238 2.970 1.00 0.29 C ATOM 669 OG1 THR A 49 7.749 -5.550 3.293 1.00 0.71 O ATOM 670 CG2 THR A 49 7.898 -3.281 4.102 1.00 0.64 C ATOM 0 H THR A 49 8.385 -5.541 0.879 1.00 0.24 H new ATOM 0 HA THR A 49 6.519 -3.669 1.781 1.00 0.26 H new ATOM 0 HB THR A 49 9.310 -4.262 2.844 1.00 0.29 H new ATOM 0 HG1 THR A 49 8.154 -5.848 4.134 1.00 0.71 H new ATOM 0 HG21 THR A 49 8.357 -3.637 5.025 1.00 0.64 H new ATOM 0 HG22 THR A 49 8.283 -2.289 3.864 1.00 0.64 H new ATOM 0 HG23 THR A 49 6.817 -3.229 4.231 1.00 0.64 H new ATOM 678 N TYR A 50 9.195 -2.359 0.444 1.00 0.23 N ATOM 679 CA TYR A 50 9.759 -1.081 0.033 1.00 0.23 C ATOM 680 C TYR A 50 8.783 -0.372 -0.879 1.00 0.26 C ATOM 681 O TYR A 50 8.658 0.851 -0.867 1.00 0.42 O ATOM 682 CB TYR A 50 11.093 -1.239 -0.695 1.00 0.21 C ATOM 683 CG TYR A 50 12.148 -1.982 0.083 1.00 0.22 C ATOM 684 CD1 TYR A 50 12.236 -1.884 1.463 1.00 0.28 C ATOM 685 CD2 TYR A 50 13.069 -2.780 -0.575 1.00 0.25 C ATOM 686 CE1 TYR A 50 13.207 -2.567 2.164 1.00 0.35 C ATOM 687 CE2 TYR A 50 14.043 -3.463 0.115 1.00 0.31 C ATOM 688 CZ TYR A 50 14.110 -3.356 1.485 1.00 0.34 C ATOM 689 OH TYR A 50 15.073 -4.054 2.178 1.00 0.44 O ATOM 0 H TYR A 50 9.658 -3.182 0.057 1.00 0.23 H new ATOM 0 HA TYR A 50 9.940 -0.500 0.937 1.00 0.23 H new ATOM 0 HB2 TYR A 50 10.919 -1.761 -1.636 1.00 0.21 H new ATOM 0 HB3 TYR A 50 11.475 -0.249 -0.946 1.00 0.21 H new ATOM 0 HD1 TYR A 50 11.533 -1.263 1.998 1.00 0.28 H new ATOM 0 HD2 TYR A 50 13.021 -2.868 -1.650 1.00 0.25 H new ATOM 0 HE1 TYR A 50 13.260 -2.484 3.240 1.00 0.35 H new ATOM 0 HE2 TYR A 50 14.752 -4.081 -0.416 1.00 0.31 H new ATOM 0 HH TYR A 50 15.467 -4.735 1.594 1.00 0.44 H new ATOM 699 N ILE A 51 8.071 -1.171 -1.649 1.00 0.18 N ATOM 700 CA ILE A 51 7.158 -0.661 -2.643 1.00 0.19 C ATOM 701 C ILE A 51 5.837 -0.241 -2.004 1.00 0.19 C ATOM 702 O ILE A 51 5.245 0.767 -2.382 1.00 0.22 O ATOM 703 CB ILE A 51 6.890 -1.725 -3.723 1.00 0.20 C ATOM 704 CG1 ILE A 51 8.202 -2.188 -4.354 1.00 0.25 C ATOM 705 CG2 ILE A 51 5.949 -1.185 -4.786 1.00 0.21 C ATOM 706 CD1 ILE A 51 8.048 -3.413 -5.226 1.00 0.33 C ATOM 0 H ILE A 51 8.111 -2.189 -1.601 1.00 0.18 H new ATOM 0 HA ILE A 51 7.620 0.212 -3.104 1.00 0.19 H new ATOM 0 HB ILE A 51 6.413 -2.583 -3.248 1.00 0.20 H new ATOM 0 HG12 ILE A 51 8.616 -1.376 -4.951 1.00 0.25 H new ATOM 0 HG13 ILE A 51 8.922 -2.402 -3.564 1.00 0.25 H new ATOM 0 HG21 ILE A 51 5.773 -1.952 -5.540 1.00 0.21 H new ATOM 0 HG22 ILE A 51 5.002 -0.905 -4.325 1.00 0.21 H new ATOM 0 HG23 ILE A 51 6.396 -0.310 -5.257 1.00 0.21 H new ATOM 0 HD11 ILE A 51 9.017 -3.687 -5.642 1.00 0.33 H new ATOM 0 HD12 ILE A 51 7.663 -4.239 -4.628 1.00 0.33 H new ATOM 0 HD13 ILE A 51 7.353 -3.197 -6.037 1.00 0.33 H new ATOM 718 N THR A 52 5.381 -1.017 -1.031 1.00 0.20 N ATOM 719 CA THR A 52 4.149 -0.697 -0.331 1.00 0.24 C ATOM 720 C THR A 52 4.338 0.546 0.530 1.00 0.24 C ATOM 721 O THR A 52 3.435 1.376 0.647 1.00 0.27 O ATOM 722 CB THR A 52 3.676 -1.872 0.543 1.00 0.27 C ATOM 723 OG1 THR A 52 4.710 -2.262 1.453 1.00 0.28 O ATOM 724 CG2 THR A 52 3.284 -3.059 -0.314 1.00 0.26 C ATOM 0 H THR A 52 5.844 -1.868 -0.711 1.00 0.20 H new ATOM 0 HA THR A 52 3.383 -0.503 -1.082 1.00 0.24 H new ATOM 0 HB THR A 52 2.803 -1.541 1.106 1.00 0.27 H new ATOM 0 HG1 THR A 52 4.396 -3.009 2.004 1.00 0.28 H new ATOM 0 HG21 THR A 52 2.953 -3.877 0.326 1.00 0.26 H new ATOM 0 HG22 THR A 52 2.473 -2.772 -0.984 1.00 0.26 H new ATOM 0 HG23 THR A 52 4.143 -3.383 -0.902 1.00 0.26 H new ATOM 732 N ASN A 53 5.520 0.672 1.123 1.00 0.25 N ATOM 733 CA ASN A 53 5.867 1.863 1.889 1.00 0.27 C ATOM 734 C ASN A 53 5.998 3.064 0.965 1.00 0.24 C ATOM 735 O ASN A 53 5.685 4.190 1.350 1.00 0.27 O ATOM 736 CB ASN A 53 7.159 1.645 2.679 1.00 0.34 C ATOM 737 CG ASN A 53 6.929 0.874 3.967 1.00 0.81 C ATOM 738 OD1 ASN A 53 6.017 0.056 4.064 1.00 1.59 O ATOM 739 ND2 ASN A 53 7.754 1.135 4.972 1.00 1.42 N ATOM 0 H ASN A 53 6.254 -0.036 1.088 1.00 0.25 H new ATOM 0 HA ASN A 53 5.066 2.059 2.602 1.00 0.27 H new ATOM 0 HB2 ASN A 53 7.874 1.105 2.058 1.00 0.34 H new ATOM 0 HB3 ASN A 53 7.606 2.611 2.912 1.00 0.34 H new ATOM 0 HD21 ASN A 53 7.643 0.650 5.862 1.00 1.42 H new ATOM 0 HD22 ASN A 53 8.500 1.821 4.855 1.00 1.42 H new ATOM 746 N GLN A 54 6.460 2.816 -0.258 1.00 0.23 N ATOM 747 CA GLN A 54 6.440 3.834 -1.299 1.00 0.25 C ATOM 748 C GLN A 54 5.018 4.296 -1.545 1.00 0.25 C ATOM 749 O GLN A 54 4.715 5.491 -1.516 1.00 0.28 O ATOM 750 CB GLN A 54 6.997 3.297 -2.614 1.00 0.27 C ATOM 751 CG GLN A 54 8.462 3.585 -2.840 1.00 0.40 C ATOM 752 CD GLN A 54 8.753 3.793 -4.310 1.00 0.62 C ATOM 753 OE1 GLN A 54 8.122 3.184 -5.172 1.00 1.27 O ATOM 754 NE2 GLN A 54 9.676 4.685 -4.607 1.00 1.34 N ATOM 0 H GLN A 54 6.851 1.920 -0.550 1.00 0.23 H new ATOM 0 HA GLN A 54 7.061 4.662 -0.956 1.00 0.25 H new ATOM 0 HB2 GLN A 54 6.843 2.218 -2.645 1.00 0.27 H new ATOM 0 HB3 GLN A 54 6.425 3.724 -3.437 1.00 0.27 H new ATOM 0 HG2 GLN A 54 8.752 4.473 -2.279 1.00 0.40 H new ATOM 0 HG3 GLN A 54 9.062 2.758 -2.460 1.00 0.40 H new ATOM 0 HE21 GLN A 54 10.177 5.168 -3.861 1.00 1.34 H new ATOM 0 HE22 GLN A 54 9.890 4.892 -5.583 1.00 1.34 H new ATOM 763 N ALA A 55 4.156 3.322 -1.788 1.00 0.24 N ATOM 764 CA ALA A 55 2.757 3.565 -2.078 1.00 0.25 C ATOM 765 C ALA A 55 2.083 4.358 -0.963 1.00 0.26 C ATOM 766 O ALA A 55 1.159 5.132 -1.214 1.00 0.30 O ATOM 767 CB ALA A 55 2.055 2.240 -2.299 1.00 0.24 C ATOM 0 H ALA A 55 4.412 2.335 -1.789 1.00 0.24 H new ATOM 0 HA ALA A 55 2.687 4.167 -2.984 1.00 0.25 H new ATOM 0 HB1 ALA A 55 1.002 2.418 -2.517 1.00 0.24 H new ATOM 0 HB2 ALA A 55 2.517 1.719 -3.138 1.00 0.24 H new ATOM 0 HB3 ALA A 55 2.141 1.629 -1.401 1.00 0.24 H new ATOM 773 N ALA A 56 2.552 4.166 0.266 1.00 0.26 N ATOM 774 CA ALA A 56 2.030 4.912 1.402 1.00 0.27 C ATOM 775 C ALA A 56 2.269 6.398 1.222 1.00 0.26 C ATOM 776 O ALA A 56 1.360 7.199 1.398 1.00 0.30 O ATOM 777 CB ALA A 56 2.657 4.450 2.705 1.00 0.29 C ATOM 0 H ALA A 56 3.290 3.502 0.499 1.00 0.26 H new ATOM 0 HA ALA A 56 0.957 4.723 1.449 1.00 0.27 H new ATOM 0 HB1 ALA A 56 2.245 5.028 3.532 1.00 0.29 H new ATOM 0 HB2 ALA A 56 2.441 3.393 2.858 1.00 0.29 H new ATOM 0 HB3 ALA A 56 3.736 4.597 2.662 1.00 0.29 H new ATOM 783 N VAL A 57 3.489 6.764 0.847 1.00 0.26 N ATOM 784 CA VAL A 57 3.836 8.170 0.732 1.00 0.27 C ATOM 785 C VAL A 57 3.027 8.845 -0.359 1.00 0.26 C ATOM 786 O VAL A 57 2.590 9.973 -0.193 1.00 0.30 O ATOM 787 CB VAL A 57 5.332 8.403 0.462 1.00 0.28 C ATOM 788 CG1 VAL A 57 5.624 9.888 0.456 1.00 0.33 C ATOM 789 CG2 VAL A 57 6.193 7.714 1.498 1.00 0.30 C ATOM 0 H VAL A 57 4.243 6.115 0.621 1.00 0.26 H new ATOM 0 HA VAL A 57 3.598 8.611 1.700 1.00 0.27 H new ATOM 0 HB VAL A 57 5.572 7.977 -0.512 1.00 0.28 H new ATOM 0 HG11 VAL A 57 6.685 10.049 0.264 1.00 0.33 H new ATOM 0 HG12 VAL A 57 5.037 10.371 -0.325 1.00 0.33 H new ATOM 0 HG13 VAL A 57 5.361 10.314 1.424 1.00 0.33 H new ATOM 0 HG21 VAL A 57 7.245 7.898 1.278 1.00 0.30 H new ATOM 0 HG22 VAL A 57 5.955 8.105 2.487 1.00 0.30 H new ATOM 0 HG23 VAL A 57 6.001 6.641 1.476 1.00 0.30 H new ATOM 799 N TYR A 58 2.812 8.156 -1.474 1.00 0.25 N ATOM 800 CA TYR A 58 1.961 8.692 -2.535 1.00 0.27 C ATOM 801 C TYR A 58 0.573 8.998 -1.990 1.00 0.28 C ATOM 802 O TYR A 58 -0.106 9.904 -2.468 1.00 0.29 O ATOM 803 CB TYR A 58 1.847 7.710 -3.695 1.00 0.27 C ATOM 804 CG TYR A 58 3.088 7.609 -4.536 1.00 0.28 C ATOM 805 CD1 TYR A 58 3.349 8.527 -5.536 1.00 0.35 C ATOM 806 CD2 TYR A 58 4.003 6.593 -4.323 1.00 0.28 C ATOM 807 CE1 TYR A 58 4.491 8.437 -6.303 1.00 0.38 C ATOM 808 CE2 TYR A 58 5.147 6.493 -5.081 1.00 0.30 C ATOM 809 CZ TYR A 58 5.370 7.425 -6.103 1.00 0.33 C ATOM 810 OH TYR A 58 6.532 7.330 -6.837 1.00 0.37 O ATOM 0 H TYR A 58 3.209 7.236 -1.668 1.00 0.25 H new ATOM 0 HA TYR A 58 2.420 9.611 -2.901 1.00 0.27 H new ATOM 0 HB2 TYR A 58 1.608 6.723 -3.299 1.00 0.27 H new ATOM 0 HB3 TYR A 58 1.014 8.010 -4.330 1.00 0.27 H new ATOM 0 HD1 TYR A 58 2.647 9.327 -5.719 1.00 0.35 H new ATOM 0 HD2 TYR A 58 3.816 5.865 -3.547 1.00 0.28 H new ATOM 0 HE1 TYR A 58 4.686 9.176 -7.066 1.00 0.38 H new ATOM 0 HE2 TYR A 58 5.863 5.707 -4.891 1.00 0.30 H new ATOM 0 HH TYR A 58 7.036 6.539 -6.551 1.00 0.37 H new ATOM 820 N PHE A 59 0.169 8.240 -0.978 1.00 0.30 N ATOM 821 CA PHE A 59 -1.124 8.425 -0.344 1.00 0.32 C ATOM 822 C PHE A 59 -1.134 9.739 0.436 1.00 0.35 C ATOM 823 O PHE A 59 -2.166 10.403 0.552 1.00 0.42 O ATOM 824 CB PHE A 59 -1.425 7.234 0.565 1.00 0.33 C ATOM 825 CG PHE A 59 -2.872 7.099 0.934 1.00 0.35 C ATOM 826 CD1 PHE A 59 -3.389 7.817 1.999 1.00 0.49 C ATOM 827 CD2 PHE A 59 -3.710 6.260 0.223 1.00 0.29 C ATOM 828 CE1 PHE A 59 -4.718 7.700 2.347 1.00 0.56 C ATOM 829 CE2 PHE A 59 -5.040 6.138 0.567 1.00 0.35 C ATOM 830 CZ PHE A 59 -5.549 6.839 1.607 1.00 0.47 C ATOM 0 H PHE A 59 0.727 7.485 -0.578 1.00 0.30 H new ATOM 0 HA PHE A 59 -1.904 8.478 -1.103 1.00 0.32 H new ATOM 0 HB2 PHE A 59 -1.100 6.320 0.068 1.00 0.33 H new ATOM 0 HB3 PHE A 59 -0.835 7.328 1.477 1.00 0.33 H new ATOM 0 HD1 PHE A 59 -2.745 8.475 2.563 1.00 0.49 H new ATOM 0 HD2 PHE A 59 -3.319 5.695 -0.610 1.00 0.29 H new ATOM 0 HE1 PHE A 59 -5.117 8.263 3.178 1.00 0.56 H new ATOM 0 HE2 PHE A 59 -5.681 5.478 0.002 1.00 0.35 H new ATOM 0 HZ PHE A 59 -6.592 6.738 1.869 1.00 0.47 H new ATOM 840 N GLU A 60 0.029 10.115 0.956 1.00 0.34 N ATOM 841 CA GLU A 60 0.208 11.420 1.576 1.00 0.37 C ATOM 842 C GLU A 60 0.384 12.487 0.497 1.00 0.35 C ATOM 843 O GLU A 60 -0.076 13.622 0.633 1.00 0.41 O ATOM 844 CB GLU A 60 1.433 11.427 2.490 1.00 0.39 C ATOM 845 CG GLU A 60 1.353 10.465 3.665 1.00 0.44 C ATOM 846 CD GLU A 60 2.327 9.329 3.567 1.00 0.91 C ATOM 847 OE1 GLU A 60 3.481 9.568 3.184 1.00 1.42 O ATOM 848 OE2 GLU A 60 1.936 8.191 3.911 1.00 1.07 O ATOM 0 H GLU A 60 0.865 9.530 0.960 1.00 0.34 H new ATOM 0 HA GLU A 60 -0.678 11.636 2.173 1.00 0.37 H new ATOM 0 HB2 GLU A 60 2.314 11.182 1.897 1.00 0.39 H new ATOM 0 HB3 GLU A 60 1.578 12.437 2.874 1.00 0.39 H new ATOM 0 HG2 GLU A 60 1.537 11.014 4.589 1.00 0.44 H new ATOM 0 HG3 GLU A 60 0.342 10.063 3.729 1.00 0.44 H new ATOM 855 N LYS A 61 1.053 12.097 -0.581 1.00 0.32 N ATOM 856 CA LYS A 61 1.376 12.999 -1.678 1.00 0.33 C ATOM 857 C LYS A 61 0.131 13.396 -2.465 1.00 0.35 C ATOM 858 O LYS A 61 0.126 14.406 -3.167 1.00 0.40 O ATOM 859 CB LYS A 61 2.398 12.350 -2.615 1.00 0.33 C ATOM 860 CG LYS A 61 3.737 12.083 -1.948 1.00 0.48 C ATOM 861 CD LYS A 61 4.891 12.110 -2.937 1.00 0.49 C ATOM 862 CE LYS A 61 4.760 11.048 -4.016 1.00 0.36 C ATOM 863 NZ LYS A 61 5.917 11.090 -4.948 1.00 1.10 N ATOM 0 H LYS A 61 1.388 11.143 -0.719 1.00 0.32 H new ATOM 0 HA LYS A 61 1.804 13.903 -1.245 1.00 0.33 H new ATOM 0 HB2 LYS A 61 1.992 11.410 -2.990 1.00 0.33 H new ATOM 0 HB3 LYS A 61 2.552 12.997 -3.478 1.00 0.33 H new ATOM 0 HG2 LYS A 61 3.909 12.829 -1.172 1.00 0.48 H new ATOM 0 HG3 LYS A 61 3.707 11.111 -1.455 1.00 0.48 H new ATOM 0 HD2 LYS A 61 4.941 13.093 -3.404 1.00 0.49 H new ATOM 0 HD3 LYS A 61 5.828 11.964 -2.400 1.00 0.49 H new ATOM 0 HE2 LYS A 61 4.695 10.062 -3.555 1.00 0.36 H new ATOM 0 HE3 LYS A 61 3.835 11.201 -4.572 1.00 0.36 H new ATOM 0 HZ1 LYS A 61 5.847 10.303 -5.624 1.00 1.10 H new ATOM 0 HZ2 LYS A 61 5.913 11.992 -5.466 1.00 1.10 H new ATOM 0 HZ3 LYS A 61 6.801 11.005 -4.408 1.00 1.10 H new ATOM 877 N GLY A 62 -0.920 12.592 -2.354 1.00 0.34 N ATOM 878 CA GLY A 62 -2.153 12.872 -3.068 1.00 0.36 C ATOM 879 C GLY A 62 -2.237 12.110 -4.375 1.00 0.33 C ATOM 880 O GLY A 62 -3.212 12.227 -5.116 1.00 0.35 O ATOM 0 H GLY A 62 -0.941 11.749 -1.781 1.00 0.34 H new ATOM 0 HA2 GLY A 62 -3.004 12.609 -2.439 1.00 0.36 H new ATOM 0 HA3 GLY A 62 -2.222 13.942 -3.267 1.00 0.36 H new ATOM 884 N ASP A 63 -1.215 11.310 -4.643 1.00 0.31 N ATOM 885 CA ASP A 63 -1.130 10.538 -5.877 1.00 0.30 C ATOM 886 C ASP A 63 -1.743 9.155 -5.693 1.00 0.27 C ATOM 887 O ASP A 63 -1.055 8.145 -5.843 1.00 0.32 O ATOM 888 CB ASP A 63 0.329 10.411 -6.324 1.00 0.32 C ATOM 889 CG ASP A 63 0.794 11.594 -7.149 1.00 0.84 C ATOM 890 OD1 ASP A 63 0.615 11.577 -8.384 1.00 1.26 O ATOM 891 OD2 ASP A 63 1.339 12.556 -6.567 1.00 1.26 O ATOM 0 H ASP A 63 -0.423 11.177 -4.014 1.00 0.31 H new ATOM 0 HA ASP A 63 -1.692 11.065 -6.648 1.00 0.30 H new ATOM 0 HB2 ASP A 63 0.967 10.313 -5.445 1.00 0.32 H new ATOM 0 HB3 ASP A 63 0.448 9.498 -6.907 1.00 0.32 H new ATOM 896 N TYR A 64 -3.043 9.120 -5.398 1.00 0.27 N ATOM 897 CA TYR A 64 -3.736 7.875 -5.047 1.00 0.28 C ATOM 898 C TYR A 64 -3.649 6.836 -6.157 1.00 0.29 C ATOM 899 O TYR A 64 -3.631 5.632 -5.888 1.00 0.34 O ATOM 900 CB TYR A 64 -5.203 8.147 -4.697 1.00 0.29 C ATOM 901 CG TYR A 64 -5.365 9.118 -3.553 1.00 0.32 C ATOM 902 CD1 TYR A 64 -5.023 8.758 -2.253 1.00 0.33 C ATOM 903 CD2 TYR A 64 -5.846 10.401 -3.773 1.00 0.35 C ATOM 904 CE1 TYR A 64 -5.160 9.652 -1.209 1.00 0.36 C ATOM 905 CE2 TYR A 64 -5.983 11.299 -2.735 1.00 0.39 C ATOM 906 CZ TYR A 64 -5.639 10.921 -1.455 1.00 0.38 C ATOM 907 OH TYR A 64 -5.778 11.814 -0.418 1.00 0.43 O ATOM 0 H TYR A 64 -3.643 9.945 -5.395 1.00 0.27 H new ATOM 0 HA TYR A 64 -3.230 7.468 -4.172 1.00 0.28 H new ATOM 0 HB2 TYR A 64 -5.714 8.541 -5.576 1.00 0.29 H new ATOM 0 HB3 TYR A 64 -5.690 7.206 -4.440 1.00 0.29 H new ATOM 0 HD1 TYR A 64 -4.645 7.765 -2.058 1.00 0.33 H new ATOM 0 HD2 TYR A 64 -6.118 10.702 -4.774 1.00 0.35 H new ATOM 0 HE1 TYR A 64 -4.893 9.358 -0.205 1.00 0.36 H new ATOM 0 HE2 TYR A 64 -6.358 12.294 -2.924 1.00 0.39 H new ATOM 0 HH TYR A 64 -6.127 12.663 -0.762 1.00 0.43 H new ATOM 917 N ASN A 65 -3.582 7.300 -7.398 1.00 0.31 N ATOM 918 CA ASN A 65 -3.426 6.403 -8.539 1.00 0.37 C ATOM 919 C ASN A 65 -2.150 5.582 -8.410 1.00 0.33 C ATOM 920 O ASN A 65 -2.111 4.411 -8.783 1.00 0.34 O ATOM 921 CB ASN A 65 -3.408 7.188 -9.851 1.00 0.47 C ATOM 922 CG ASN A 65 -4.797 7.511 -10.369 1.00 1.17 C ATOM 923 OD1 ASN A 65 -5.379 6.744 -11.136 1.00 1.66 O ATOM 924 ND2 ASN A 65 -5.333 8.651 -9.971 1.00 2.18 N ATOM 0 H ASN A 65 -3.633 8.289 -7.641 1.00 0.31 H new ATOM 0 HA ASN A 65 -4.280 5.726 -8.549 1.00 0.37 H new ATOM 0 HB2 ASN A 65 -2.856 8.116 -9.705 1.00 0.47 H new ATOM 0 HB3 ASN A 65 -2.870 6.613 -10.605 1.00 0.47 H new ATOM 0 HD21 ASN A 65 -6.260 8.921 -10.300 1.00 2.18 H new ATOM 0 HD22 ASN A 65 -4.820 9.261 -9.334 1.00 2.18 H new ATOM 931 N LYS A 66 -1.113 6.192 -7.848 1.00 0.34 N ATOM 932 CA LYS A 66 0.171 5.530 -7.710 1.00 0.32 C ATOM 933 C LYS A 66 0.205 4.650 -6.467 1.00 0.31 C ATOM 934 O LYS A 66 0.830 3.592 -6.473 1.00 0.32 O ATOM 935 CB LYS A 66 1.299 6.541 -7.626 1.00 0.29 C ATOM 936 CG LYS A 66 2.674 5.910 -7.729 1.00 0.40 C ATOM 937 CD LYS A 66 2.929 5.300 -9.092 1.00 0.63 C ATOM 938 CE LYS A 66 4.351 4.773 -9.183 1.00 0.42 C ATOM 939 NZ LYS A 66 4.603 4.046 -10.456 1.00 0.68 N ATOM 0 H LYS A 66 -1.140 7.144 -7.482 1.00 0.34 H new ATOM 0 HA LYS A 66 0.307 4.909 -8.595 1.00 0.32 H new ATOM 0 HB2 LYS A 66 1.182 7.274 -8.424 1.00 0.29 H new ATOM 0 HB3 LYS A 66 1.224 7.082 -6.683 1.00 0.29 H new ATOM 0 HG2 LYS A 66 3.433 6.665 -7.524 1.00 0.40 H new ATOM 0 HG3 LYS A 66 2.775 5.140 -6.964 1.00 0.40 H new ATOM 0 HD2 LYS A 66 2.223 4.490 -9.272 1.00 0.63 H new ATOM 0 HD3 LYS A 66 2.762 6.047 -9.868 1.00 0.63 H new ATOM 0 HE2 LYS A 66 5.050 5.605 -9.097 1.00 0.42 H new ATOM 0 HE3 LYS A 66 4.544 4.107 -8.342 1.00 0.42 H new ATOM 0 HZ1 LYS A 66 5.585 3.705 -10.473 1.00 0.68 H new ATOM 0 HZ2 LYS A 66 3.954 3.236 -10.528 1.00 0.68 H new ATOM 0 HZ3 LYS A 66 4.446 4.688 -11.259 1.00 0.68 H new ATOM 953 N CYS A 67 -0.445 5.094 -5.394 1.00 0.31 N ATOM 954 CA CYS A 67 -0.515 4.301 -4.178 1.00 0.32 C ATOM 955 C CYS A 67 -1.166 2.965 -4.496 1.00 0.36 C ATOM 956 O CYS A 67 -0.696 1.906 -4.076 1.00 0.39 O ATOM 957 CB CYS A 67 -1.325 5.031 -3.117 1.00 0.33 C ATOM 958 SG CYS A 67 -1.311 6.820 -3.274 1.00 1.29 S ATOM 0 H CYS A 67 -0.926 5.992 -5.345 1.00 0.31 H new ATOM 0 HA CYS A 67 0.492 4.139 -3.793 1.00 0.32 H new ATOM 0 HB2 CYS A 67 -2.357 4.683 -3.161 1.00 0.33 H new ATOM 0 HB3 CYS A 67 -0.940 4.762 -2.134 1.00 0.33 H new ATOM 0 HG CYS A 67 -0.794 7.151 -4.420 1.00 1.29 H new ATOM 964 N ARG A 68 -2.247 3.039 -5.258 1.00 0.38 N ATOM 965 CA ARG A 68 -2.904 1.865 -5.802 1.00 0.45 C ATOM 966 C ARG A 68 -1.931 1.075 -6.673 1.00 0.42 C ATOM 967 O ARG A 68 -1.751 -0.129 -6.491 1.00 0.48 O ATOM 968 CB ARG A 68 -4.103 2.310 -6.639 1.00 0.60 C ATOM 969 CG ARG A 68 -4.714 1.212 -7.487 1.00 1.00 C ATOM 970 CD ARG A 68 -5.060 1.733 -8.871 1.00 1.21 C ATOM 971 NE ARG A 68 -5.947 2.896 -8.820 1.00 1.92 N ATOM 972 CZ ARG A 68 -6.099 3.758 -9.822 1.00 2.48 C ATOM 973 NH1 ARG A 68 -5.391 3.620 -10.939 1.00 2.64 N ATOM 974 NH2 ARG A 68 -6.950 4.767 -9.704 1.00 3.39 N ATOM 0 H ARG A 68 -2.693 3.919 -5.516 1.00 0.38 H new ATOM 0 HA ARG A 68 -3.240 1.225 -4.986 1.00 0.45 H new ATOM 0 HB2 ARG A 68 -4.869 2.707 -5.973 1.00 0.60 H new ATOM 0 HB3 ARG A 68 -3.793 3.127 -7.291 1.00 0.60 H new ATOM 0 HG2 ARG A 68 -4.016 0.379 -7.570 1.00 1.00 H new ATOM 0 HG3 ARG A 68 -5.612 0.828 -7.002 1.00 1.00 H new ATOM 0 HD2 ARG A 68 -4.143 2.001 -9.396 1.00 1.21 H new ATOM 0 HD3 ARG A 68 -5.537 0.940 -9.447 1.00 1.21 H new ATOM 0 HE ARG A 68 -6.480 3.055 -7.965 1.00 1.92 H new ATOM 0 HH11 ARG A 68 -4.728 2.851 -11.031 1.00 2.64 H new ATOM 0 HH12 ARG A 68 -5.511 4.284 -11.704 1.00 2.64 H new ATOM 0 HH21 ARG A 68 -7.488 4.883 -8.845 1.00 3.39 H new ATOM 0 HH22 ARG A 68 -7.067 5.428 -10.472 1.00 3.39 H new ATOM 988 N GLU A 69 -1.301 1.789 -7.603 1.00 0.38 N ATOM 989 CA GLU A 69 -0.371 1.211 -8.569 1.00 0.37 C ATOM 990 C GLU A 69 0.697 0.358 -7.888 1.00 0.31 C ATOM 991 O GLU A 69 0.892 -0.811 -8.226 1.00 0.34 O ATOM 992 CB GLU A 69 0.305 2.341 -9.360 1.00 0.38 C ATOM 993 CG GLU A 69 1.159 1.855 -10.519 1.00 0.67 C ATOM 994 CD GLU A 69 0.350 1.105 -11.558 1.00 1.20 C ATOM 995 OE1 GLU A 69 -0.311 1.757 -12.393 1.00 1.19 O ATOM 996 OE2 GLU A 69 0.375 -0.143 -11.553 1.00 2.08 O ATOM 0 H GLU A 69 -1.424 2.796 -7.708 1.00 0.38 H new ATOM 0 HA GLU A 69 -0.938 0.564 -9.238 1.00 0.37 H new ATOM 0 HB2 GLU A 69 -0.463 3.013 -9.744 1.00 0.38 H new ATOM 0 HB3 GLU A 69 0.928 2.924 -8.682 1.00 0.38 H new ATOM 0 HG2 GLU A 69 1.648 2.708 -10.989 1.00 0.67 H new ATOM 0 HG3 GLU A 69 1.948 1.206 -10.138 1.00 0.67 H new ATOM 1003 N LEU A 70 1.373 0.947 -6.920 1.00 0.24 N ATOM 1004 CA LEU A 70 2.515 0.314 -6.289 1.00 0.21 C ATOM 1005 C LEU A 70 2.118 -0.810 -5.346 1.00 0.22 C ATOM 1006 O LEU A 70 2.869 -1.759 -5.182 1.00 0.23 O ATOM 1007 CB LEU A 70 3.335 1.346 -5.532 1.00 0.20 C ATOM 1008 CG LEU A 70 4.100 2.335 -6.398 1.00 0.21 C ATOM 1009 CD1 LEU A 70 4.855 3.300 -5.512 1.00 0.22 C ATOM 1010 CD2 LEU A 70 5.055 1.610 -7.334 1.00 0.24 C ATOM 0 H LEU A 70 1.148 1.871 -6.551 1.00 0.24 H new ATOM 0 HA LEU A 70 3.111 -0.126 -7.089 1.00 0.21 H new ATOM 0 HB2 LEU A 70 2.668 1.904 -4.875 1.00 0.20 H new ATOM 0 HB3 LEU A 70 4.046 0.822 -4.893 1.00 0.20 H new ATOM 0 HG LEU A 70 3.391 2.890 -7.012 1.00 0.21 H new ATOM 0 HD11 LEU A 70 5.404 4.009 -6.131 1.00 0.22 H new ATOM 0 HD12 LEU A 70 4.151 3.840 -4.879 1.00 0.22 H new ATOM 0 HD13 LEU A 70 5.555 2.747 -4.886 1.00 0.22 H new ATOM 0 HD21 LEU A 70 5.591 2.338 -7.943 1.00 0.24 H new ATOM 0 HD22 LEU A 70 5.769 1.031 -6.748 1.00 0.24 H new ATOM 0 HD23 LEU A 70 4.490 0.940 -7.982 1.00 0.24 H new ATOM 1022 N CYS A 71 0.958 -0.712 -4.720 1.00 0.24 N ATOM 1023 CA CYS A 71 0.552 -1.734 -3.768 1.00 0.25 C ATOM 1024 C CYS A 71 0.300 -3.070 -4.458 1.00 0.24 C ATOM 1025 O CYS A 71 0.821 -4.093 -4.026 1.00 0.23 O ATOM 1026 CB CYS A 71 -0.669 -1.293 -2.973 1.00 0.32 C ATOM 1027 SG CYS A 71 -0.358 0.066 -1.825 1.00 1.10 S ATOM 0 H CYS A 71 0.291 0.049 -4.849 1.00 0.24 H new ATOM 0 HA CYS A 71 1.376 -1.873 -3.068 1.00 0.25 H new ATOM 0 HB2 CYS A 71 -1.452 -0.993 -3.669 1.00 0.32 H new ATOM 0 HB3 CYS A 71 -1.051 -2.146 -2.412 1.00 0.32 H new ATOM 0 HG CYS A 71 -0.540 1.200 -2.435 1.00 1.10 H new ATOM 1033 N GLU A 72 -0.467 -3.067 -5.544 1.00 0.25 N ATOM 1034 CA GLU A 72 -0.723 -4.305 -6.278 1.00 0.26 C ATOM 1035 C GLU A 72 0.539 -4.780 -6.992 1.00 0.23 C ATOM 1036 O GLU A 72 0.727 -5.978 -7.208 1.00 0.25 O ATOM 1037 CB GLU A 72 -1.874 -4.138 -7.271 1.00 0.34 C ATOM 1038 CG GLU A 72 -1.842 -2.835 -8.045 1.00 0.87 C ATOM 1039 CD GLU A 72 -2.736 -2.875 -9.263 1.00 1.36 C ATOM 1040 OE1 GLU A 72 -3.962 -2.726 -9.113 1.00 2.09 O ATOM 1041 OE2 GLU A 72 -2.212 -3.067 -10.381 1.00 1.68 O ATOM 0 H GLU A 72 -0.916 -2.237 -5.932 1.00 0.25 H new ATOM 0 HA GLU A 72 -1.017 -5.064 -5.553 1.00 0.26 H new ATOM 0 HB2 GLU A 72 -1.853 -4.968 -7.977 1.00 0.34 H new ATOM 0 HB3 GLU A 72 -2.818 -4.203 -6.730 1.00 0.34 H new ATOM 0 HG2 GLU A 72 -2.154 -2.019 -7.393 1.00 0.87 H new ATOM 0 HG3 GLU A 72 -0.819 -2.622 -8.354 1.00 0.87 H new ATOM 1048 N LYS A 73 1.404 -3.836 -7.354 1.00 0.23 N ATOM 1049 CA LYS A 73 2.713 -4.164 -7.906 1.00 0.23 C ATOM 1050 C LYS A 73 3.543 -4.877 -6.852 1.00 0.20 C ATOM 1051 O LYS A 73 4.110 -5.938 -7.104 1.00 0.21 O ATOM 1052 CB LYS A 73 3.438 -2.893 -8.374 1.00 0.27 C ATOM 1053 CG LYS A 73 4.906 -3.097 -8.756 1.00 0.33 C ATOM 1054 CD LYS A 73 5.094 -3.584 -10.192 1.00 0.57 C ATOM 1055 CE LYS A 73 4.555 -4.987 -10.412 1.00 0.60 C ATOM 1056 NZ LYS A 73 4.922 -5.520 -11.749 1.00 1.23 N ATOM 0 H LYS A 73 1.220 -2.836 -7.274 1.00 0.23 H new ATOM 0 HA LYS A 73 2.578 -4.818 -8.767 1.00 0.23 H new ATOM 0 HB2 LYS A 73 2.907 -2.484 -9.233 1.00 0.27 H new ATOM 0 HB3 LYS A 73 3.383 -2.147 -7.581 1.00 0.27 H new ATOM 0 HG2 LYS A 73 5.442 -2.157 -8.625 1.00 0.33 H new ATOM 0 HG3 LYS A 73 5.355 -3.818 -8.073 1.00 0.33 H new ATOM 0 HD2 LYS A 73 4.593 -2.896 -10.873 1.00 0.57 H new ATOM 0 HD3 LYS A 73 6.155 -3.564 -10.442 1.00 0.57 H new ATOM 0 HE2 LYS A 73 4.943 -5.650 -9.638 1.00 0.60 H new ATOM 0 HE3 LYS A 73 3.470 -4.979 -10.310 1.00 0.60 H new ATOM 0 HZ1 LYS A 73 4.845 -6.557 -11.742 1.00 1.23 H new ATOM 0 HZ2 LYS A 73 4.279 -5.130 -12.467 1.00 1.23 H new ATOM 0 HZ3 LYS A 73 5.900 -5.247 -11.975 1.00 1.23 H new ATOM 1070 N ALA A 74 3.589 -4.285 -5.667 1.00 0.19 N ATOM 1071 CA ALA A 74 4.295 -4.862 -4.540 1.00 0.17 C ATOM 1072 C ALA A 74 3.720 -6.217 -4.195 1.00 0.16 C ATOM 1073 O ALA A 74 4.452 -7.132 -3.875 1.00 0.16 O ATOM 1074 CB ALA A 74 4.234 -3.935 -3.340 1.00 0.18 C ATOM 0 H ALA A 74 3.138 -3.393 -5.463 1.00 0.19 H new ATOM 0 HA ALA A 74 5.341 -4.992 -4.818 1.00 0.17 H new ATOM 0 HB1 ALA A 74 4.770 -4.386 -2.504 1.00 0.18 H new ATOM 0 HB2 ALA A 74 4.695 -2.980 -3.594 1.00 0.18 H new ATOM 0 HB3 ALA A 74 3.194 -3.772 -3.059 1.00 0.18 H new ATOM 1080 N ILE A 75 2.404 -6.343 -4.268 1.00 0.16 N ATOM 1081 CA ILE A 75 1.758 -7.620 -4.019 1.00 0.16 C ATOM 1082 C ILE A 75 2.152 -8.639 -5.071 1.00 0.17 C ATOM 1083 O ILE A 75 2.401 -9.793 -4.752 1.00 0.18 O ATOM 1084 CB ILE A 75 0.228 -7.496 -3.984 1.00 0.19 C ATOM 1085 CG1 ILE A 75 -0.195 -6.641 -2.797 1.00 0.20 C ATOM 1086 CG2 ILE A 75 -0.415 -8.871 -3.910 1.00 0.23 C ATOM 1087 CD1 ILE A 75 -1.688 -6.530 -2.641 1.00 0.23 C ATOM 0 H ILE A 75 1.766 -5.580 -4.496 1.00 0.16 H new ATOM 0 HA ILE A 75 2.098 -7.955 -3.039 1.00 0.16 H new ATOM 0 HB ILE A 75 -0.109 -7.013 -4.901 1.00 0.19 H new ATOM 0 HG12 ILE A 75 0.227 -7.064 -1.885 1.00 0.20 H new ATOM 0 HG13 ILE A 75 0.226 -5.642 -2.910 1.00 0.20 H new ATOM 0 HG21 ILE A 75 -1.500 -8.765 -3.886 1.00 0.23 H new ATOM 0 HG22 ILE A 75 -0.127 -9.455 -4.784 1.00 0.23 H new ATOM 0 HG23 ILE A 75 -0.080 -9.381 -3.007 1.00 0.23 H new ATOM 0 HD11 ILE A 75 -1.918 -5.907 -1.777 1.00 0.23 H new ATOM 0 HD12 ILE A 75 -2.115 -6.079 -3.537 1.00 0.23 H new ATOM 0 HD13 ILE A 75 -2.114 -7.523 -2.496 1.00 0.23 H new ATOM 1099 N GLU A 76 2.212 -8.211 -6.320 1.00 0.18 N ATOM 1100 CA GLU A 76 2.639 -9.090 -7.399 1.00 0.21 C ATOM 1101 C GLU A 76 4.063 -9.581 -7.128 1.00 0.20 C ATOM 1102 O GLU A 76 4.368 -10.768 -7.260 1.00 0.24 O ATOM 1103 CB GLU A 76 2.574 -8.343 -8.729 1.00 0.24 C ATOM 1104 CG GLU A 76 2.883 -9.206 -9.940 1.00 0.77 C ATOM 1105 CD GLU A 76 2.914 -8.406 -11.223 1.00 1.47 C ATOM 1106 OE1 GLU A 76 1.835 -8.137 -11.786 1.00 1.62 O ATOM 1107 OE2 GLU A 76 4.019 -8.036 -11.674 1.00 2.35 O ATOM 0 H GLU A 76 1.972 -7.264 -6.613 1.00 0.18 H new ATOM 0 HA GLU A 76 1.975 -9.953 -7.452 1.00 0.21 H new ATOM 0 HB2 GLU A 76 1.578 -7.916 -8.845 1.00 0.24 H new ATOM 0 HB3 GLU A 76 3.277 -7.510 -8.701 1.00 0.24 H new ATOM 0 HG2 GLU A 76 3.846 -9.697 -9.797 1.00 0.77 H new ATOM 0 HG3 GLU A 76 2.133 -9.993 -10.023 1.00 0.77 H new ATOM 1114 N VAL A 77 4.907 -8.645 -6.723 1.00 0.21 N ATOM 1115 CA VAL A 77 6.288 -8.921 -6.348 1.00 0.22 C ATOM 1116 C VAL A 77 6.359 -9.812 -5.106 1.00 0.21 C ATOM 1117 O VAL A 77 7.114 -10.782 -5.062 1.00 0.24 O ATOM 1118 CB VAL A 77 7.021 -7.591 -6.067 1.00 0.22 C ATOM 1119 CG1 VAL A 77 8.379 -7.828 -5.441 1.00 0.22 C ATOM 1120 CG2 VAL A 77 7.156 -6.771 -7.342 1.00 0.25 C ATOM 0 H VAL A 77 4.651 -7.661 -6.644 1.00 0.21 H new ATOM 0 HA VAL A 77 6.767 -9.447 -7.174 1.00 0.22 H new ATOM 0 HB VAL A 77 6.420 -7.027 -5.354 1.00 0.22 H new ATOM 0 HG11 VAL A 77 8.867 -6.871 -5.257 1.00 0.22 H new ATOM 0 HG12 VAL A 77 8.257 -8.360 -4.498 1.00 0.22 H new ATOM 0 HG13 VAL A 77 8.992 -8.424 -6.117 1.00 0.22 H new ATOM 0 HG21 VAL A 77 7.675 -5.838 -7.121 1.00 0.25 H new ATOM 0 HG22 VAL A 77 7.724 -7.337 -8.080 1.00 0.25 H new ATOM 0 HG23 VAL A 77 6.165 -6.550 -7.739 1.00 0.25 H new ATOM 1130 N GLY A 78 5.559 -9.481 -4.106 1.00 0.19 N ATOM 1131 CA GLY A 78 5.563 -10.217 -2.861 1.00 0.21 C ATOM 1132 C GLY A 78 5.012 -11.610 -3.024 1.00 0.21 C ATOM 1133 O GLY A 78 5.531 -12.561 -2.451 1.00 0.27 O ATOM 0 H GLY A 78 4.898 -8.705 -4.136 1.00 0.19 H new ATOM 0 HA2 GLY A 78 6.582 -10.273 -2.477 1.00 0.21 H new ATOM 0 HA3 GLY A 78 4.972 -9.678 -2.120 1.00 0.21 H new ATOM 1137 N ARG A 79 3.970 -11.729 -3.827 1.00 0.21 N ATOM 1138 CA ARG A 79 3.364 -13.015 -4.120 1.00 0.28 C ATOM 1139 C ARG A 79 4.368 -13.881 -4.880 1.00 0.28 C ATOM 1140 O ARG A 79 4.329 -15.110 -4.829 1.00 0.33 O ATOM 1141 CB ARG A 79 2.096 -12.808 -4.955 1.00 0.39 C ATOM 1142 CG ARG A 79 1.098 -13.942 -4.849 1.00 0.81 C ATOM 1143 CD ARG A 79 0.290 -13.825 -3.571 1.00 0.89 C ATOM 1144 NE ARG A 79 -0.586 -14.975 -3.361 1.00 1.57 N ATOM 1145 CZ ARG A 79 -1.370 -15.119 -2.296 1.00 2.03 C ATOM 1146 NH1 ARG A 79 -1.360 -14.200 -1.338 1.00 2.20 N ATOM 1147 NH2 ARG A 79 -2.150 -16.187 -2.182 1.00 2.63 N ATOM 0 H ARG A 79 3.522 -10.940 -4.293 1.00 0.21 H new ATOM 0 HA ARG A 79 3.091 -13.517 -3.192 1.00 0.28 H new ATOM 0 HB2 ARG A 79 1.614 -11.882 -4.641 1.00 0.39 H new ATOM 0 HB3 ARG A 79 2.378 -12.682 -6.000 1.00 0.39 H new ATOM 0 HG2 ARG A 79 0.430 -13.927 -5.710 1.00 0.81 H new ATOM 0 HG3 ARG A 79 1.622 -14.898 -4.868 1.00 0.81 H new ATOM 0 HD2 ARG A 79 0.968 -13.728 -2.723 1.00 0.89 H new ATOM 0 HD3 ARG A 79 -0.310 -12.916 -3.605 1.00 0.89 H new ATOM 0 HE ARG A 79 -0.597 -15.708 -4.070 1.00 1.57 H new ATOM 0 HH11 ARG A 79 -0.752 -13.385 -1.419 1.00 2.20 H new ATOM 0 HH12 ARG A 79 -1.960 -14.309 -0.521 1.00 2.20 H new ATOM 0 HH21 ARG A 79 -2.149 -16.899 -2.912 1.00 2.63 H new ATOM 0 HH22 ARG A 79 -2.750 -16.295 -1.364 1.00 2.63 H new ATOM 1161 N GLU A 80 5.271 -13.204 -5.576 1.00 0.27 N ATOM 1162 CA GLU A 80 6.343 -13.840 -6.324 1.00 0.32 C ATOM 1163 C GLU A 80 7.471 -14.287 -5.392 1.00 0.31 C ATOM 1164 O GLU A 80 7.936 -15.428 -5.454 1.00 0.37 O ATOM 1165 CB GLU A 80 6.878 -12.844 -7.361 1.00 0.36 C ATOM 1166 CG GLU A 80 8.128 -13.304 -8.085 1.00 0.57 C ATOM 1167 CD GLU A 80 8.566 -12.349 -9.175 1.00 1.18 C ATOM 1168 OE1 GLU A 80 9.277 -11.370 -8.868 1.00 1.96 O ATOM 1169 OE2 GLU A 80 8.212 -12.579 -10.349 1.00 1.22 O ATOM 0 H GLU A 80 5.278 -12.186 -5.637 1.00 0.27 H new ATOM 0 HA GLU A 80 5.954 -14.727 -6.824 1.00 0.32 H new ATOM 0 HB2 GLU A 80 6.097 -12.650 -8.097 1.00 0.36 H new ATOM 0 HB3 GLU A 80 7.089 -11.898 -6.863 1.00 0.36 H new ATOM 0 HG2 GLU A 80 8.937 -13.419 -7.364 1.00 0.57 H new ATOM 0 HG3 GLU A 80 7.948 -14.286 -8.521 1.00 0.57 H new ATOM 1176 N ASN A 81 7.891 -13.374 -4.525 1.00 0.29 N ATOM 1177 CA ASN A 81 9.041 -13.594 -3.645 1.00 0.35 C ATOM 1178 C ASN A 81 8.635 -14.254 -2.322 1.00 0.35 C ATOM 1179 O ASN A 81 9.465 -14.461 -1.436 1.00 0.49 O ATOM 1180 CB ASN A 81 9.744 -12.260 -3.382 1.00 0.40 C ATOM 1181 CG ASN A 81 11.120 -12.411 -2.756 1.00 0.55 C ATOM 1182 OD1 ASN A 81 11.269 -12.420 -1.532 1.00 1.35 O ATOM 1183 ND2 ASN A 81 12.142 -12.518 -3.590 1.00 1.13 N ATOM 0 H ASN A 81 7.449 -12.462 -4.409 1.00 0.29 H new ATOM 0 HA ASN A 81 9.725 -14.278 -4.147 1.00 0.35 H new ATOM 0 HB2 ASN A 81 9.839 -11.717 -4.323 1.00 0.40 H new ATOM 0 HB3 ASN A 81 9.120 -11.653 -2.726 1.00 0.40 H new ATOM 0 HD21 ASN A 81 13.090 -12.612 -3.226 1.00 1.13 H new ATOM 0 HD22 ASN A 81 11.982 -12.507 -4.597 1.00 1.13 H new ATOM 1190 N ARG A 82 7.352 -14.594 -2.208 1.00 0.32 N ATOM 1191 CA ARG A 82 6.810 -15.254 -1.015 1.00 0.37 C ATOM 1192 C ARG A 82 6.904 -14.335 0.204 1.00 0.32 C ATOM 1193 O ARG A 82 7.348 -14.739 1.280 1.00 0.38 O ATOM 1194 CB ARG A 82 7.532 -16.581 -0.749 1.00 0.47 C ATOM 1195 CG ARG A 82 7.449 -17.560 -1.909 1.00 1.04 C ATOM 1196 CD ARG A 82 6.012 -17.947 -2.219 1.00 1.99 C ATOM 1197 NE ARG A 82 5.924 -18.838 -3.373 1.00 2.83 N ATOM 1198 CZ ARG A 82 4.804 -19.066 -4.054 1.00 3.77 C ATOM 1199 NH1 ARG A 82 3.673 -18.470 -3.701 1.00 4.01 N ATOM 1200 NH2 ARG A 82 4.816 -19.892 -5.091 1.00 4.67 N ATOM 0 H ARG A 82 6.659 -14.422 -2.936 1.00 0.32 H new ATOM 0 HA ARG A 82 5.758 -15.471 -1.199 1.00 0.37 H new ATOM 0 HB2 ARG A 82 8.580 -16.378 -0.530 1.00 0.47 H new ATOM 0 HB3 ARG A 82 7.105 -17.046 0.140 1.00 0.47 H new ATOM 0 HG2 ARG A 82 7.905 -17.115 -2.794 1.00 1.04 H new ATOM 0 HG3 ARG A 82 8.023 -18.455 -1.671 1.00 1.04 H new ATOM 0 HD2 ARG A 82 5.572 -18.435 -1.349 1.00 1.99 H new ATOM 0 HD3 ARG A 82 5.427 -17.047 -2.410 1.00 1.99 H new ATOM 0 HE ARG A 82 6.773 -19.315 -3.675 1.00 2.83 H new ATOM 0 HH11 ARG A 82 3.659 -17.833 -2.904 1.00 4.01 H new ATOM 0 HH12 ARG A 82 2.817 -18.648 -4.226 1.00 4.01 H new ATOM 0 HH21 ARG A 82 5.684 -20.352 -5.366 1.00 4.67 H new ATOM 0 HH22 ARG A 82 3.958 -20.067 -5.613 1.00 4.67 H new ATOM 1214 N GLU A 83 6.465 -13.102 0.014 1.00 0.27 N ATOM 1215 CA GLU A 83 6.509 -12.072 1.037 1.00 0.27 C ATOM 1216 C GLU A 83 5.356 -12.209 2.028 1.00 0.25 C ATOM 1217 O GLU A 83 4.431 -12.999 1.817 1.00 0.25 O ATOM 1218 CB GLU A 83 6.472 -10.706 0.364 1.00 0.28 C ATOM 1219 CG GLU A 83 7.849 -10.143 0.027 1.00 0.43 C ATOM 1220 CD GLU A 83 8.676 -9.813 1.257 1.00 0.94 C ATOM 1221 OE1 GLU A 83 9.392 -10.706 1.758 1.00 1.15 O ATOM 1222 OE2 GLU A 83 8.619 -8.659 1.731 1.00 1.60 O ATOM 0 H GLU A 83 6.062 -12.784 -0.868 1.00 0.27 H new ATOM 0 HA GLU A 83 7.433 -12.184 1.604 1.00 0.27 H new ATOM 0 HB2 GLU A 83 5.887 -10.780 -0.553 1.00 0.28 H new ATOM 0 HB3 GLU A 83 5.954 -10.004 1.018 1.00 0.28 H new ATOM 0 HG2 GLU A 83 8.390 -10.865 -0.584 1.00 0.43 H new ATOM 0 HG3 GLU A 83 7.729 -9.242 -0.575 1.00 0.43 H new ATOM 1229 N ASP A 84 5.448 -11.462 3.124 1.00 0.26 N ATOM 1230 CA ASP A 84 4.433 -11.474 4.175 1.00 0.26 C ATOM 1231 C ASP A 84 3.060 -11.110 3.616 1.00 0.25 C ATOM 1232 O ASP A 84 2.848 -9.994 3.142 1.00 0.26 O ATOM 1233 CB ASP A 84 4.819 -10.494 5.288 1.00 0.29 C ATOM 1234 CG ASP A 84 3.846 -10.521 6.449 1.00 0.44 C ATOM 1235 OD1 ASP A 84 3.888 -11.475 7.255 1.00 0.82 O ATOM 1236 OD2 ASP A 84 3.032 -9.594 6.562 1.00 0.68 O ATOM 0 H ASP A 84 6.228 -10.831 3.310 1.00 0.26 H new ATOM 0 HA ASP A 84 4.379 -12.483 4.584 1.00 0.26 H new ATOM 0 HB2 ASP A 84 5.818 -10.736 5.650 1.00 0.29 H new ATOM 0 HB3 ASP A 84 4.864 -9.485 4.879 1.00 0.29 H new ATOM 1241 N TYR A 85 2.125 -12.054 3.679 1.00 0.26 N ATOM 1242 CA TYR A 85 0.801 -11.847 3.103 1.00 0.26 C ATOM 1243 C TYR A 85 -0.016 -10.879 3.949 1.00 0.27 C ATOM 1244 O TYR A 85 -0.987 -10.291 3.478 1.00 0.26 O ATOM 1245 CB TYR A 85 0.049 -13.169 2.950 1.00 0.27 C ATOM 1246 CG TYR A 85 -0.262 -13.859 4.259 1.00 0.29 C ATOM 1247 CD1 TYR A 85 -1.272 -13.394 5.084 1.00 0.34 C ATOM 1248 CD2 TYR A 85 0.461 -14.974 4.668 1.00 0.33 C ATOM 1249 CE1 TYR A 85 -1.558 -14.019 6.279 1.00 0.37 C ATOM 1250 CE2 TYR A 85 0.181 -15.606 5.859 1.00 0.37 C ATOM 1251 CZ TYR A 85 -0.838 -15.124 6.662 1.00 0.38 C ATOM 1252 OH TYR A 85 -1.107 -15.752 7.856 1.00 0.44 O ATOM 0 H TYR A 85 2.259 -12.964 4.120 1.00 0.26 H new ATOM 0 HA TYR A 85 0.942 -11.414 2.112 1.00 0.26 H new ATOM 0 HB2 TYR A 85 -0.885 -12.984 2.419 1.00 0.27 H new ATOM 0 HB3 TYR A 85 0.641 -13.841 2.329 1.00 0.27 H new ATOM 0 HD1 TYR A 85 -1.845 -12.528 4.787 1.00 0.34 H new ATOM 0 HD2 TYR A 85 1.256 -15.351 4.041 1.00 0.33 H new ATOM 0 HE1 TYR A 85 -2.346 -13.641 6.913 1.00 0.37 H new ATOM 0 HE2 TYR A 85 0.752 -16.471 6.164 1.00 0.37 H new ATOM 0 HH TYR A 85 -0.504 -16.516 7.967 1.00 0.44 H new ATOM 1262 N ARG A 86 0.372 -10.733 5.205 1.00 0.30 N ATOM 1263 CA ARG A 86 -0.290 -9.801 6.100 1.00 0.33 C ATOM 1264 C ARG A 86 -0.019 -8.385 5.614 1.00 0.32 C ATOM 1265 O ARG A 86 -0.917 -7.547 5.535 1.00 0.32 O ATOM 1266 CB ARG A 86 0.224 -9.985 7.512 1.00 0.40 C ATOM 1267 CG ARG A 86 0.208 -11.425 7.968 1.00 0.44 C ATOM 1268 CD ARG A 86 0.721 -11.526 9.376 1.00 0.55 C ATOM 1269 NE ARG A 86 2.126 -11.126 9.469 1.00 1.57 N ATOM 1270 CZ ARG A 86 2.674 -10.570 10.548 1.00 1.98 C ATOM 1271 NH1 ARG A 86 1.940 -10.334 11.629 1.00 1.57 N ATOM 1272 NH2 ARG A 86 3.962 -10.242 10.538 1.00 3.04 N ATOM 0 H ARG A 86 1.143 -11.249 5.628 1.00 0.30 H new ATOM 0 HA ARG A 86 -1.364 -9.986 6.104 1.00 0.33 H new ATOM 0 HB2 ARG A 86 1.243 -9.602 7.574 1.00 0.40 H new ATOM 0 HB3 ARG A 86 -0.382 -9.388 8.193 1.00 0.40 H new ATOM 0 HG2 ARG A 86 -0.806 -11.821 7.913 1.00 0.44 H new ATOM 0 HG3 ARG A 86 0.824 -12.032 7.304 1.00 0.44 H new ATOM 0 HD2 ARG A 86 0.119 -10.895 10.029 1.00 0.55 H new ATOM 0 HD3 ARG A 86 0.610 -12.550 9.732 1.00 0.55 H new ATOM 0 HE ARG A 86 2.723 -11.283 8.657 1.00 1.57 H new ATOM 0 HH11 ARG A 86 0.950 -10.579 11.637 1.00 1.57 H new ATOM 0 HH12 ARG A 86 2.366 -9.908 12.452 1.00 1.57 H new ATOM 0 HH21 ARG A 86 4.526 -10.416 9.706 1.00 3.04 H new ATOM 0 HH22 ARG A 86 4.386 -9.816 11.362 1.00 3.04 H new ATOM 1286 N GLN A 87 1.243 -8.163 5.276 1.00 0.33 N ATOM 1287 CA GLN A 87 1.710 -6.942 4.641 1.00 0.33 C ATOM 1288 C GLN A 87 1.021 -6.759 3.288 1.00 0.28 C ATOM 1289 O GLN A 87 0.705 -5.639 2.882 1.00 0.28 O ATOM 1290 CB GLN A 87 3.232 -7.046 4.480 1.00 0.39 C ATOM 1291 CG GLN A 87 3.918 -5.821 3.906 1.00 0.49 C ATOM 1292 CD GLN A 87 3.587 -4.544 4.660 1.00 0.57 C ATOM 1293 OE1 GLN A 87 4.262 -4.177 5.621 1.00 1.14 O ATOM 1294 NE2 GLN A 87 2.542 -3.854 4.224 1.00 1.46 N ATOM 0 H GLN A 87 1.986 -8.842 5.440 1.00 0.33 H new ATOM 0 HA GLN A 87 1.467 -6.072 5.251 1.00 0.33 H new ATOM 0 HB2 GLN A 87 3.668 -7.260 5.456 1.00 0.39 H new ATOM 0 HB3 GLN A 87 3.454 -7.898 3.838 1.00 0.39 H new ATOM 0 HG2 GLN A 87 4.997 -5.976 3.921 1.00 0.49 H new ATOM 0 HG3 GLN A 87 3.627 -5.705 2.862 1.00 0.49 H new ATOM 0 HE21 GLN A 87 2.007 -4.191 3.424 1.00 1.46 H new ATOM 0 HE22 GLN A 87 2.274 -2.987 4.689 1.00 1.46 H new ATOM 1303 N ILE A 88 0.784 -7.874 2.610 1.00 0.25 N ATOM 1304 CA ILE A 88 0.042 -7.883 1.355 1.00 0.22 C ATOM 1305 C ILE A 88 -1.397 -7.433 1.560 1.00 0.20 C ATOM 1306 O ILE A 88 -1.939 -6.682 0.753 1.00 0.20 O ATOM 1307 CB ILE A 88 0.090 -9.280 0.706 1.00 0.21 C ATOM 1308 CG1 ILE A 88 1.388 -9.405 -0.065 1.00 0.22 C ATOM 1309 CG2 ILE A 88 -1.099 -9.527 -0.201 1.00 0.20 C ATOM 1310 CD1 ILE A 88 1.701 -10.781 -0.569 1.00 0.23 C ATOM 0 H ILE A 88 1.099 -8.796 2.913 1.00 0.25 H new ATOM 0 HA ILE A 88 0.519 -7.172 0.680 1.00 0.22 H new ATOM 0 HB ILE A 88 0.043 -10.035 1.490 1.00 0.21 H new ATOM 0 HG12 ILE A 88 1.354 -8.723 -0.915 1.00 0.22 H new ATOM 0 HG13 ILE A 88 2.206 -9.075 0.576 1.00 0.22 H new ATOM 0 HG21 ILE A 88 -1.024 -10.523 -0.637 1.00 0.20 H new ATOM 0 HG22 ILE A 88 -2.020 -9.453 0.378 1.00 0.20 H new ATOM 0 HG23 ILE A 88 -1.110 -8.783 -0.997 1.00 0.20 H new ATOM 0 HD11 ILE A 88 2.649 -10.765 -1.107 1.00 0.23 H new ATOM 0 HD12 ILE A 88 1.773 -11.469 0.273 1.00 0.23 H new ATOM 0 HD13 ILE A 88 0.909 -11.111 -1.241 1.00 0.23 H new ATOM 1322 N ALA A 89 -2.010 -7.879 2.641 1.00 0.21 N ATOM 1323 CA ALA A 89 -3.349 -7.430 2.986 1.00 0.21 C ATOM 1324 C ALA A 89 -3.351 -5.933 3.243 1.00 0.22 C ATOM 1325 O ALA A 89 -4.280 -5.225 2.863 1.00 0.21 O ATOM 1326 CB ALA A 89 -3.864 -8.179 4.198 1.00 0.24 C ATOM 0 H ALA A 89 -1.605 -8.550 3.294 1.00 0.21 H new ATOM 0 HA ALA A 89 -4.013 -7.639 2.147 1.00 0.21 H new ATOM 0 HB1 ALA A 89 -4.867 -7.830 4.442 1.00 0.24 H new ATOM 0 HB2 ALA A 89 -3.894 -9.247 3.980 1.00 0.24 H new ATOM 0 HB3 ALA A 89 -3.202 -8.000 5.045 1.00 0.24 H new ATOM 1332 N LYS A 90 -2.294 -5.448 3.875 1.00 0.24 N ATOM 1333 CA LYS A 90 -2.150 -4.023 4.125 1.00 0.27 C ATOM 1334 C LYS A 90 -1.966 -3.283 2.806 1.00 0.24 C ATOM 1335 O LYS A 90 -2.386 -2.135 2.658 1.00 0.26 O ATOM 1336 CB LYS A 90 -0.973 -3.757 5.064 1.00 0.33 C ATOM 1337 CG LYS A 90 -1.062 -4.521 6.379 1.00 0.46 C ATOM 1338 CD LYS A 90 -2.405 -4.314 7.067 1.00 0.50 C ATOM 1339 CE LYS A 90 -2.661 -2.846 7.388 1.00 0.67 C ATOM 1340 NZ LYS A 90 -1.675 -2.303 8.362 1.00 1.26 N ATOM 0 H LYS A 90 -1.524 -6.019 4.224 1.00 0.24 H new ATOM 0 HA LYS A 90 -3.055 -3.657 4.609 1.00 0.27 H new ATOM 0 HB2 LYS A 90 -0.046 -4.027 4.558 1.00 0.33 H new ATOM 0 HB3 LYS A 90 -0.921 -2.689 5.276 1.00 0.33 H new ATOM 0 HG2 LYS A 90 -0.910 -5.584 6.192 1.00 0.46 H new ATOM 0 HG3 LYS A 90 -0.260 -4.196 7.042 1.00 0.46 H new ATOM 0 HD2 LYS A 90 -3.203 -4.690 6.426 1.00 0.50 H new ATOM 0 HD3 LYS A 90 -2.435 -4.897 7.987 1.00 0.50 H new ATOM 0 HE2 LYS A 90 -2.620 -2.262 6.468 1.00 0.67 H new ATOM 0 HE3 LYS A 90 -3.667 -2.734 7.792 1.00 0.67 H new ATOM 0 HZ1 LYS A 90 -1.956 -1.341 8.641 1.00 1.26 H new ATOM 0 HZ2 LYS A 90 -1.646 -2.913 9.204 1.00 1.26 H new ATOM 0 HZ3 LYS A 90 -0.733 -2.275 7.923 1.00 1.26 H new ATOM 1354 N ALA A 91 -1.339 -3.956 1.849 1.00 0.23 N ATOM 1355 CA ALA A 91 -1.219 -3.436 0.497 1.00 0.22 C ATOM 1356 C ALA A 91 -2.592 -3.377 -0.161 1.00 0.19 C ATOM 1357 O ALA A 91 -2.971 -2.352 -0.718 1.00 0.20 O ATOM 1358 CB ALA A 91 -0.253 -4.286 -0.321 1.00 0.22 C ATOM 0 H ALA A 91 -0.904 -4.868 1.988 1.00 0.23 H new ATOM 0 HA ALA A 91 -0.815 -2.425 0.541 1.00 0.22 H new ATOM 0 HB1 ALA A 91 -0.177 -3.881 -1.330 1.00 0.22 H new ATOM 0 HB2 ALA A 91 0.730 -4.275 0.150 1.00 0.22 H new ATOM 0 HB3 ALA A 91 -0.621 -5.311 -0.369 1.00 0.22 H new ATOM 1364 N TYR A 92 -3.340 -4.475 -0.064 1.00 0.17 N ATOM 1365 CA TYR A 92 -4.702 -4.535 -0.590 1.00 0.16 C ATOM 1366 C TYR A 92 -5.566 -3.443 0.005 1.00 0.16 C ATOM 1367 O TYR A 92 -6.305 -2.760 -0.707 1.00 0.16 O ATOM 1368 CB TYR A 92 -5.349 -5.886 -0.292 1.00 0.15 C ATOM 1369 CG TYR A 92 -4.950 -6.995 -1.228 1.00 0.15 C ATOM 1370 CD1 TYR A 92 -5.261 -6.927 -2.572 1.00 0.20 C ATOM 1371 CD2 TYR A 92 -4.249 -8.103 -0.770 1.00 0.16 C ATOM 1372 CE1 TYR A 92 -4.890 -7.929 -3.439 1.00 0.22 C ATOM 1373 CE2 TYR A 92 -3.872 -9.113 -1.635 1.00 0.18 C ATOM 1374 CZ TYR A 92 -4.231 -9.060 -2.938 1.00 0.21 C ATOM 1375 OH TYR A 92 -3.830 -10.020 -3.842 1.00 0.24 O ATOM 0 H TYR A 92 -3.023 -5.339 0.376 1.00 0.17 H new ATOM 0 HA TYR A 92 -4.631 -4.396 -1.669 1.00 0.16 H new ATOM 0 HB2 TYR A 92 -5.094 -6.179 0.726 1.00 0.15 H new ATOM 0 HB3 TYR A 92 -6.432 -5.771 -0.328 1.00 0.15 H new ATOM 0 HD1 TYR A 92 -5.804 -6.073 -2.949 1.00 0.20 H new ATOM 0 HD2 TYR A 92 -3.995 -8.176 0.277 1.00 0.16 H new ATOM 0 HE1 TYR A 92 -5.104 -7.845 -4.494 1.00 0.22 H new ATOM 0 HE2 TYR A 92 -3.290 -9.946 -1.270 1.00 0.18 H new ATOM 0 HH TYR A 92 -3.384 -10.752 -3.366 1.00 0.24 H new ATOM 1385 N ALA A 93 -5.468 -3.283 1.313 1.00 0.20 N ATOM 1386 CA ALA A 93 -6.259 -2.295 2.013 1.00 0.21 C ATOM 1387 C ALA A 93 -5.911 -0.894 1.546 1.00 0.23 C ATOM 1388 O ALA A 93 -6.782 -0.041 1.445 1.00 0.26 O ATOM 1389 CB ALA A 93 -6.074 -2.416 3.515 1.00 0.25 C ATOM 0 H ALA A 93 -4.846 -3.828 1.910 1.00 0.20 H new ATOM 0 HA ALA A 93 -7.308 -2.482 1.782 1.00 0.21 H new ATOM 0 HB1 ALA A 93 -6.679 -1.662 4.018 1.00 0.25 H new ATOM 0 HB2 ALA A 93 -6.386 -3.408 3.841 1.00 0.25 H new ATOM 0 HB3 ALA A 93 -5.024 -2.265 3.766 1.00 0.25 H new ATOM 1395 N ARG A 94 -4.640 -0.667 1.239 1.00 0.24 N ATOM 1396 CA ARG A 94 -4.206 0.636 0.767 1.00 0.27 C ATOM 1397 C ARG A 94 -4.594 0.831 -0.694 1.00 0.24 C ATOM 1398 O ARG A 94 -4.879 1.949 -1.115 1.00 0.27 O ATOM 1399 CB ARG A 94 -2.699 0.813 0.957 1.00 0.34 C ATOM 1400 CG ARG A 94 -2.202 2.202 0.587 1.00 0.77 C ATOM 1401 CD ARG A 94 -0.771 2.417 1.042 1.00 0.53 C ATOM 1402 NE ARG A 94 -0.653 2.358 2.500 1.00 0.72 N ATOM 1403 CZ ARG A 94 0.304 1.695 3.146 1.00 0.69 C ATOM 1404 NH1 ARG A 94 1.257 1.070 2.464 1.00 1.50 N ATOM 1405 NH2 ARG A 94 0.317 1.671 4.473 1.00 0.88 N ATOM 0 H ARG A 94 -3.899 -1.364 1.309 1.00 0.24 H new ATOM 0 HA ARG A 94 -4.710 1.398 1.361 1.00 0.27 H new ATOM 0 HB2 ARG A 94 -2.445 0.610 1.997 1.00 0.34 H new ATOM 0 HB3 ARG A 94 -2.175 0.074 0.351 1.00 0.34 H new ATOM 0 HG2 ARG A 94 -2.266 2.338 -0.493 1.00 0.77 H new ATOM 0 HG3 ARG A 94 -2.847 2.954 1.042 1.00 0.77 H new ATOM 0 HD2 ARG A 94 -0.129 1.659 0.594 1.00 0.53 H new ATOM 0 HD3 ARG A 94 -0.418 3.385 0.687 1.00 0.53 H new ATOM 0 HE ARG A 94 -1.348 2.856 3.056 1.00 0.72 H new ATOM 0 HH11 ARG A 94 1.256 1.098 1.444 1.00 1.50 H new ATOM 0 HH12 ARG A 94 1.990 0.562 2.960 1.00 1.50 H new ATOM 0 HH21 ARG A 94 -0.407 2.161 4.999 1.00 0.88 H new ATOM 0 HH22 ARG A 94 1.051 1.163 4.967 1.00 0.88 H new ATOM 1419 N ILE A 95 -4.612 -0.254 -1.467 1.00 0.21 N ATOM 1420 CA ILE A 95 -5.143 -0.208 -2.826 1.00 0.21 C ATOM 1421 C ILE A 95 -6.587 0.250 -2.776 1.00 0.20 C ATOM 1422 O ILE A 95 -6.969 1.229 -3.422 1.00 0.24 O ATOM 1423 CB ILE A 95 -5.083 -1.584 -3.530 1.00 0.19 C ATOM 1424 CG1 ILE A 95 -3.648 -2.062 -3.636 1.00 0.26 C ATOM 1425 CG2 ILE A 95 -5.696 -1.507 -4.920 1.00 0.28 C ATOM 1426 CD1 ILE A 95 -3.506 -3.459 -4.187 1.00 0.22 C ATOM 0 H ILE A 95 -4.267 -1.169 -1.177 1.00 0.21 H new ATOM 0 HA ILE A 95 -4.526 0.486 -3.397 1.00 0.21 H new ATOM 0 HB ILE A 95 -5.655 -2.292 -2.931 1.00 0.19 H new ATOM 0 HG12 ILE A 95 -3.092 -1.373 -4.272 1.00 0.26 H new ATOM 0 HG13 ILE A 95 -3.189 -2.024 -2.648 1.00 0.26 H new ATOM 0 HG21 ILE A 95 -5.643 -2.486 -5.396 1.00 0.28 H new ATOM 0 HG22 ILE A 95 -6.738 -1.198 -4.841 1.00 0.28 H new ATOM 0 HG23 ILE A 95 -5.147 -0.781 -5.520 1.00 0.28 H new ATOM 0 HD11 ILE A 95 -2.450 -3.727 -4.232 1.00 0.22 H new ATOM 0 HD12 ILE A 95 -4.032 -4.161 -3.539 1.00 0.22 H new ATOM 0 HD13 ILE A 95 -3.933 -3.500 -5.189 1.00 0.22 H new ATOM 1438 N GLY A 96 -7.372 -0.447 -1.969 1.00 0.17 N ATOM 1439 CA GLY A 96 -8.758 -0.092 -1.801 1.00 0.18 C ATOM 1440 C GLY A 96 -8.924 1.269 -1.163 1.00 0.20 C ATOM 1441 O GLY A 96 -9.857 1.993 -1.480 1.00 0.23 O ATOM 0 H GLY A 96 -7.068 -1.256 -1.427 1.00 0.17 H new ATOM 0 HA2 GLY A 96 -9.254 -0.100 -2.772 1.00 0.18 H new ATOM 0 HA3 GLY A 96 -9.252 -0.843 -1.185 1.00 0.18 H new ATOM 1445 N ASN A 97 -8.013 1.619 -0.264 1.00 0.20 N ATOM 1446 CA ASN A 97 -8.066 2.903 0.425 1.00 0.25 C ATOM 1447 C ASN A 97 -7.771 4.040 -0.545 1.00 0.25 C ATOM 1448 O ASN A 97 -8.335 5.124 -0.433 1.00 0.27 O ATOM 1449 CB ASN A 97 -7.081 2.927 1.597 1.00 0.31 C ATOM 1450 CG ASN A 97 -7.464 3.937 2.661 1.00 0.72 C ATOM 1451 OD1 ASN A 97 -8.642 4.243 2.850 1.00 1.32 O ATOM 1452 ND2 ASN A 97 -6.477 4.439 3.385 1.00 1.64 N ATOM 0 H ASN A 97 -7.226 1.030 0.006 1.00 0.20 H new ATOM 0 HA ASN A 97 -9.072 3.040 0.821 1.00 0.25 H new ATOM 0 HB2 ASN A 97 -7.031 1.935 2.045 1.00 0.31 H new ATOM 0 HB3 ASN A 97 -6.084 3.159 1.224 1.00 0.31 H new ATOM 0 HD21 ASN A 97 -6.679 5.105 4.131 1.00 1.64 H new ATOM 0 HD22 ASN A 97 -5.514 4.160 3.197 1.00 1.64 H new ATOM 1459 N SER A 98 -6.893 3.779 -1.506 1.00 0.26 N ATOM 1460 CA SER A 98 -6.601 4.744 -2.556 1.00 0.29 C ATOM 1461 C SER A 98 -7.847 4.976 -3.404 1.00 0.29 C ATOM 1462 O SER A 98 -8.242 6.117 -3.649 1.00 0.32 O ATOM 1463 CB SER A 98 -5.448 4.241 -3.425 1.00 0.32 C ATOM 1464 OG SER A 98 -4.284 4.025 -2.646 1.00 0.94 O ATOM 0 H SER A 98 -6.371 2.906 -1.579 1.00 0.26 H new ATOM 0 HA SER A 98 -6.304 5.690 -2.102 1.00 0.29 H new ATOM 0 HB2 SER A 98 -5.737 3.313 -3.919 1.00 0.32 H new ATOM 0 HB3 SER A 98 -5.236 4.967 -4.210 1.00 0.32 H new ATOM 0 HG SER A 98 -4.440 3.285 -2.023 1.00 0.94 H new ATOM 1470 N TYR A 99 -8.478 3.880 -3.817 1.00 0.28 N ATOM 1471 CA TYR A 99 -9.742 3.943 -4.539 1.00 0.29 C ATOM 1472 C TYR A 99 -10.798 4.650 -3.694 1.00 0.28 C ATOM 1473 O TYR A 99 -11.575 5.457 -4.189 1.00 0.31 O ATOM 1474 CB TYR A 99 -10.237 2.536 -4.876 1.00 0.26 C ATOM 1475 CG TYR A 99 -9.505 1.850 -6.005 1.00 0.29 C ATOM 1476 CD1 TYR A 99 -9.567 2.350 -7.294 1.00 0.36 C ATOM 1477 CD2 TYR A 99 -8.793 0.678 -5.790 1.00 0.28 C ATOM 1478 CE1 TYR A 99 -8.943 1.711 -8.341 1.00 0.40 C ATOM 1479 CE2 TYR A 99 -8.156 0.032 -6.831 1.00 0.32 C ATOM 1480 CZ TYR A 99 -8.236 0.551 -8.105 1.00 0.37 C ATOM 1481 OH TYR A 99 -7.615 -0.098 -9.146 1.00 0.43 O ATOM 0 H TYR A 99 -8.131 2.933 -3.662 1.00 0.28 H new ATOM 0 HA TYR A 99 -9.577 4.500 -5.462 1.00 0.29 H new ATOM 0 HB2 TYR A 99 -10.157 1.916 -3.983 1.00 0.26 H new ATOM 0 HB3 TYR A 99 -11.295 2.592 -5.131 1.00 0.26 H new ATOM 0 HD1 TYR A 99 -10.116 3.261 -7.482 1.00 0.36 H new ATOM 0 HD2 TYR A 99 -8.736 0.265 -4.794 1.00 0.28 H new ATOM 0 HE1 TYR A 99 -9.007 2.115 -9.340 1.00 0.40 H new ATOM 0 HE2 TYR A 99 -7.598 -0.875 -6.648 1.00 0.32 H new ATOM 0 HH TYR A 99 -7.160 -0.898 -8.808 1.00 0.43 H new ATOM 1491 N PHE A 100 -10.803 4.322 -2.412 1.00 0.26 N ATOM 1492 CA PHE A 100 -11.720 4.897 -1.433 1.00 0.27 C ATOM 1493 C PHE A 100 -11.598 6.422 -1.404 1.00 0.32 C ATOM 1494 O PHE A 100 -12.599 7.134 -1.323 1.00 0.40 O ATOM 1495 CB PHE A 100 -11.385 4.284 -0.070 1.00 0.25 C ATOM 1496 CG PHE A 100 -12.274 4.661 1.082 1.00 0.28 C ATOM 1497 CD1 PHE A 100 -13.440 3.955 1.323 1.00 0.28 C ATOM 1498 CD2 PHE A 100 -11.922 5.682 1.952 1.00 0.38 C ATOM 1499 CE1 PHE A 100 -14.244 4.263 2.401 1.00 0.32 C ATOM 1500 CE2 PHE A 100 -12.719 5.989 3.039 1.00 0.43 C ATOM 1501 CZ PHE A 100 -13.882 5.278 3.263 1.00 0.37 C ATOM 0 H PHE A 100 -10.160 3.638 -2.013 1.00 0.26 H new ATOM 0 HA PHE A 100 -12.753 4.671 -1.698 1.00 0.27 H new ATOM 0 HB2 PHE A 100 -11.404 3.199 -0.172 1.00 0.25 H new ATOM 0 HB3 PHE A 100 -10.363 4.562 0.185 1.00 0.25 H new ATOM 0 HD1 PHE A 100 -13.724 3.152 0.658 1.00 0.28 H new ATOM 0 HD2 PHE A 100 -11.016 6.243 1.778 1.00 0.38 H new ATOM 0 HE1 PHE A 100 -15.156 3.710 2.570 1.00 0.32 H new ATOM 0 HE2 PHE A 100 -12.433 6.784 3.712 1.00 0.43 H new ATOM 0 HZ PHE A 100 -14.507 5.516 4.111 1.00 0.37 H new ATOM 1511 N LYS A 101 -10.370 6.915 -1.497 1.00 0.32 N ATOM 1512 CA LYS A 101 -10.124 8.351 -1.516 1.00 0.38 C ATOM 1513 C LYS A 101 -10.525 8.955 -2.855 1.00 0.41 C ATOM 1514 O LYS A 101 -11.030 10.078 -2.914 1.00 0.51 O ATOM 1515 CB LYS A 101 -8.647 8.657 -1.260 1.00 0.44 C ATOM 1516 CG LYS A 101 -8.120 8.124 0.059 1.00 0.57 C ATOM 1517 CD LYS A 101 -8.899 8.667 1.247 1.00 0.68 C ATOM 1518 CE LYS A 101 -8.692 10.165 1.410 1.00 0.63 C ATOM 1519 NZ LYS A 101 -9.448 10.713 2.565 1.00 0.74 N ATOM 0 H LYS A 101 -9.529 6.342 -1.560 1.00 0.32 H new ATOM 0 HA LYS A 101 -10.729 8.792 -0.723 1.00 0.38 H new ATOM 0 HB2 LYS A 101 -8.054 8.235 -2.072 1.00 0.44 H new ATOM 0 HB3 LYS A 101 -8.502 9.737 -1.287 1.00 0.44 H new ATOM 0 HG2 LYS A 101 -8.174 7.035 0.057 1.00 0.57 H new ATOM 0 HG3 LYS A 101 -7.068 8.391 0.163 1.00 0.57 H new ATOM 0 HD2 LYS A 101 -9.960 8.457 1.114 1.00 0.68 H new ATOM 0 HD3 LYS A 101 -8.584 8.154 2.156 1.00 0.68 H new ATOM 0 HE2 LYS A 101 -7.630 10.371 1.542 1.00 0.63 H new ATOM 0 HE3 LYS A 101 -9.004 10.675 0.499 1.00 0.63 H new ATOM 0 HZ1 LYS A 101 -9.277 11.736 2.638 1.00 0.74 H new ATOM 0 HZ2 LYS A 101 -10.464 10.540 2.428 1.00 0.74 H new ATOM 0 HZ3 LYS A 101 -9.132 10.246 3.439 1.00 0.74 H new ATOM 1533 N GLU A 102 -10.306 8.203 -3.924 1.00 0.37 N ATOM 1534 CA GLU A 102 -10.540 8.705 -5.267 1.00 0.40 C ATOM 1535 C GLU A 102 -12.006 8.509 -5.669 1.00 0.39 C ATOM 1536 O GLU A 102 -12.428 8.914 -6.757 1.00 0.42 O ATOM 1537 CB GLU A 102 -9.591 8.014 -6.241 1.00 0.40 C ATOM 1538 CG GLU A 102 -10.145 6.760 -6.882 1.00 0.38 C ATOM 1539 CD GLU A 102 -9.159 6.139 -7.851 1.00 0.44 C ATOM 1540 OE1 GLU A 102 -9.101 6.571 -9.019 1.00 0.57 O ATOM 1541 OE2 GLU A 102 -8.435 5.207 -7.442 1.00 0.45 O ATOM 0 H GLU A 102 -9.966 7.242 -3.886 1.00 0.37 H new ATOM 0 HA GLU A 102 -10.340 9.776 -5.294 1.00 0.40 H new ATOM 0 HB2 GLU A 102 -9.322 8.719 -7.027 1.00 0.40 H new ATOM 0 HB3 GLU A 102 -8.672 7.760 -5.713 1.00 0.40 H new ATOM 0 HG2 GLU A 102 -10.397 6.037 -6.107 1.00 0.38 H new ATOM 0 HG3 GLU A 102 -11.070 6.999 -7.408 1.00 0.38 H new ATOM 1548 N GLU A 103 -12.761 7.886 -4.760 1.00 0.36 N ATOM 1549 CA GLU A 103 -14.199 7.645 -4.912 1.00 0.35 C ATOM 1550 C GLU A 103 -14.493 6.498 -5.880 1.00 0.35 C ATOM 1551 O GLU A 103 -15.596 6.391 -6.417 1.00 0.45 O ATOM 1552 CB GLU A 103 -14.945 8.920 -5.320 1.00 0.38 C ATOM 1553 CG GLU A 103 -14.886 10.010 -4.260 1.00 1.11 C ATOM 1554 CD GLU A 103 -15.673 11.241 -4.643 1.00 1.17 C ATOM 1555 OE1 GLU A 103 -15.155 12.064 -5.427 1.00 1.31 O ATOM 1556 OE2 GLU A 103 -16.818 11.393 -4.173 1.00 1.47 O ATOM 0 H GLU A 103 -12.384 7.529 -3.882 1.00 0.36 H new ATOM 0 HA GLU A 103 -14.571 7.342 -3.933 1.00 0.35 H new ATOM 0 HB2 GLU A 103 -14.520 9.301 -6.249 1.00 0.38 H new ATOM 0 HB3 GLU A 103 -15.987 8.675 -5.523 1.00 0.38 H new ATOM 0 HG2 GLU A 103 -15.270 9.617 -3.319 1.00 1.11 H new ATOM 0 HG3 GLU A 103 -13.846 10.288 -4.088 1.00 1.11 H new ATOM 1563 N LYS A 104 -13.509 5.631 -6.072 1.00 0.32 N ATOM 1564 CA LYS A 104 -13.704 4.387 -6.804 1.00 0.31 C ATOM 1565 C LYS A 104 -14.035 3.268 -5.826 1.00 0.28 C ATOM 1566 O LYS A 104 -13.298 2.292 -5.704 1.00 0.27 O ATOM 1567 CB LYS A 104 -12.452 4.019 -7.596 1.00 0.34 C ATOM 1568 CG LYS A 104 -12.342 4.717 -8.938 1.00 0.64 C ATOM 1569 CD LYS A 104 -11.221 4.132 -9.782 1.00 0.47 C ATOM 1570 CE LYS A 104 -11.120 4.813 -11.137 1.00 1.11 C ATOM 1571 NZ LYS A 104 -10.782 6.254 -11.013 1.00 1.89 N ATOM 0 H LYS A 104 -12.559 5.768 -5.727 1.00 0.32 H new ATOM 0 HA LYS A 104 -14.528 4.523 -7.504 1.00 0.31 H new ATOM 0 HB2 LYS A 104 -11.573 4.262 -6.999 1.00 0.34 H new ATOM 0 HB3 LYS A 104 -12.440 2.941 -7.757 1.00 0.34 H new ATOM 0 HG2 LYS A 104 -13.287 4.627 -9.474 1.00 0.64 H new ATOM 0 HG3 LYS A 104 -12.164 5.781 -8.782 1.00 0.64 H new ATOM 0 HD2 LYS A 104 -10.274 4.236 -9.252 1.00 0.47 H new ATOM 0 HD3 LYS A 104 -11.392 3.065 -9.923 1.00 0.47 H new ATOM 0 HE2 LYS A 104 -10.360 4.313 -11.738 1.00 1.11 H new ATOM 0 HE3 LYS A 104 -12.066 4.707 -11.667 1.00 1.11 H new ATOM 0 HZ1 LYS A 104 -10.492 6.624 -11.941 1.00 1.89 H new ATOM 0 HZ2 LYS A 104 -11.615 6.778 -10.677 1.00 1.89 H new ATOM 0 HZ3 LYS A 104 -10.002 6.371 -10.335 1.00 1.89 H new ATOM 1585 N TYR A 105 -15.151 3.419 -5.135 1.00 0.28 N ATOM 1586 CA TYR A 105 -15.521 2.497 -4.064 1.00 0.25 C ATOM 1587 C TYR A 105 -15.804 1.095 -4.590 1.00 0.26 C ATOM 1588 O TYR A 105 -15.632 0.117 -3.863 1.00 0.25 O ATOM 1589 CB TYR A 105 -16.718 3.027 -3.276 1.00 0.26 C ATOM 1590 CG TYR A 105 -16.452 4.379 -2.660 1.00 0.29 C ATOM 1591 CD1 TYR A 105 -15.600 4.502 -1.572 1.00 0.29 C ATOM 1592 CD2 TYR A 105 -17.021 5.532 -3.183 1.00 0.34 C ATOM 1593 CE1 TYR A 105 -15.324 5.731 -1.019 1.00 0.34 C ATOM 1594 CE2 TYR A 105 -16.742 6.771 -2.639 1.00 0.39 C ATOM 1595 CZ TYR A 105 -15.892 6.863 -1.556 1.00 0.38 C ATOM 1596 OH TYR A 105 -15.602 8.092 -1.012 1.00 0.46 O ATOM 0 H TYR A 105 -15.821 4.171 -5.293 1.00 0.28 H new ATOM 0 HA TYR A 105 -14.666 2.428 -3.392 1.00 0.25 H new ATOM 0 HB2 TYR A 105 -17.582 3.096 -3.937 1.00 0.26 H new ATOM 0 HB3 TYR A 105 -16.974 2.317 -2.490 1.00 0.26 H new ATOM 0 HD1 TYR A 105 -15.145 3.617 -1.152 1.00 0.29 H new ATOM 0 HD2 TYR A 105 -17.691 5.460 -4.027 1.00 0.34 H new ATOM 0 HE1 TYR A 105 -14.664 5.807 -0.167 1.00 0.34 H new ATOM 0 HE2 TYR A 105 -17.186 7.661 -3.059 1.00 0.39 H new ATOM 0 HH TYR A 105 -14.630 8.200 -0.947 1.00 0.46 H new ATOM 1606 N LYS A 106 -16.223 0.994 -5.848 1.00 0.31 N ATOM 1607 CA LYS A 106 -16.404 -0.312 -6.475 1.00 0.35 C ATOM 1608 C LYS A 106 -15.097 -1.092 -6.418 1.00 0.31 C ATOM 1609 O LYS A 106 -15.049 -2.239 -5.968 1.00 0.31 O ATOM 1610 CB LYS A 106 -16.846 -0.171 -7.935 1.00 0.44 C ATOM 1611 CG LYS A 106 -18.202 0.486 -8.117 1.00 0.56 C ATOM 1612 CD LYS A 106 -18.608 0.508 -9.583 1.00 0.78 C ATOM 1613 CE LYS A 106 -19.955 1.183 -9.786 1.00 0.94 C ATOM 1614 NZ LYS A 106 -20.368 1.181 -11.215 1.00 1.57 N ATOM 0 H LYS A 106 -16.441 1.790 -6.447 1.00 0.31 H new ATOM 0 HA LYS A 106 -17.183 -0.845 -5.929 1.00 0.35 H new ATOM 0 HB2 LYS A 106 -16.098 0.411 -8.474 1.00 0.44 H new ATOM 0 HB3 LYS A 106 -16.870 -1.160 -8.392 1.00 0.44 H new ATOM 0 HG2 LYS A 106 -18.951 -0.053 -7.537 1.00 0.56 H new ATOM 0 HG3 LYS A 106 -18.171 1.504 -7.730 1.00 0.56 H new ATOM 0 HD2 LYS A 106 -17.848 1.032 -10.163 1.00 0.78 H new ATOM 0 HD3 LYS A 106 -18.652 -0.513 -9.963 1.00 0.78 H new ATOM 0 HE2 LYS A 106 -20.711 0.672 -9.189 1.00 0.94 H new ATOM 0 HE3 LYS A 106 -19.904 2.210 -9.424 1.00 0.94 H new ATOM 0 HZ1 LYS A 106 -21.291 1.650 -11.310 1.00 1.57 H new ATOM 0 HZ2 LYS A 106 -19.660 1.691 -11.782 1.00 1.57 H new ATOM 0 HZ3 LYS A 106 -20.442 0.200 -11.554 1.00 1.57 H new ATOM 1628 N ASP A 107 -14.032 -0.441 -6.854 1.00 0.30 N ATOM 1629 CA ASP A 107 -12.710 -1.043 -6.858 1.00 0.29 C ATOM 1630 C ASP A 107 -12.176 -1.165 -5.435 1.00 0.23 C ATOM 1631 O ASP A 107 -11.473 -2.122 -5.107 1.00 0.21 O ATOM 1632 CB ASP A 107 -11.751 -0.203 -7.701 1.00 0.33 C ATOM 1633 CG ASP A 107 -12.120 -0.164 -9.172 1.00 0.46 C ATOM 1634 OD1 ASP A 107 -13.100 0.528 -9.533 1.00 0.64 O ATOM 1635 OD2 ASP A 107 -11.418 -0.806 -9.980 1.00 0.67 O ATOM 0 H ASP A 107 -14.059 0.513 -7.213 1.00 0.30 H new ATOM 0 HA ASP A 107 -12.786 -2.040 -7.292 1.00 0.29 H new ATOM 0 HB2 ASP A 107 -11.732 0.815 -7.311 1.00 0.33 H new ATOM 0 HB3 ASP A 107 -10.742 -0.603 -7.597 1.00 0.33 H new ATOM 1640 N ALA A 108 -12.524 -0.189 -4.598 1.00 0.22 N ATOM 1641 CA ALA A 108 -12.098 -0.172 -3.201 1.00 0.18 C ATOM 1642 C ALA A 108 -12.479 -1.467 -2.495 1.00 0.16 C ATOM 1643 O ALA A 108 -11.620 -2.188 -1.989 1.00 0.16 O ATOM 1644 CB ALA A 108 -12.702 1.025 -2.468 1.00 0.18 C ATOM 0 H ALA A 108 -13.104 0.606 -4.867 1.00 0.22 H new ATOM 0 HA ALA A 108 -11.012 -0.081 -3.186 1.00 0.18 H new ATOM 0 HB1 ALA A 108 -12.373 1.019 -1.429 1.00 0.18 H new ATOM 0 HB2 ALA A 108 -12.375 1.948 -2.947 1.00 0.18 H new ATOM 0 HB3 ALA A 108 -13.790 0.963 -2.504 1.00 0.18 H new ATOM 1650 N ILE A 109 -13.770 -1.767 -2.502 1.00 0.17 N ATOM 1651 CA ILE A 109 -14.310 -2.928 -1.803 1.00 0.18 C ATOM 1652 C ILE A 109 -13.746 -4.233 -2.356 1.00 0.19 C ATOM 1653 O ILE A 109 -13.514 -5.183 -1.604 1.00 0.20 O ATOM 1654 CB ILE A 109 -15.849 -2.925 -1.890 1.00 0.21 C ATOM 1655 CG1 ILE A 109 -16.383 -1.685 -1.190 1.00 0.22 C ATOM 1656 CG2 ILE A 109 -16.437 -4.171 -1.255 1.00 0.24 C ATOM 1657 CD1 ILE A 109 -17.678 -1.167 -1.761 1.00 0.51 C ATOM 0 H ILE A 109 -14.473 -1.214 -2.992 1.00 0.17 H new ATOM 0 HA ILE A 109 -14.009 -2.861 -0.758 1.00 0.18 H new ATOM 0 HB ILE A 109 -16.141 -2.916 -2.940 1.00 0.21 H new ATOM 0 HG12 ILE A 109 -16.529 -1.911 -0.134 1.00 0.22 H new ATOM 0 HG13 ILE A 109 -15.632 -0.897 -1.247 1.00 0.22 H new ATOM 0 HG21 ILE A 109 -17.524 -4.140 -1.332 1.00 0.24 H new ATOM 0 HG22 ILE A 109 -16.062 -5.054 -1.772 1.00 0.24 H new ATOM 0 HG23 ILE A 109 -16.149 -4.215 -0.205 1.00 0.24 H new ATOM 0 HD11 ILE A 109 -17.992 -0.282 -1.207 1.00 0.51 H new ATOM 0 HD12 ILE A 109 -17.535 -0.907 -2.810 1.00 0.51 H new ATOM 0 HD13 ILE A 109 -18.445 -1.937 -1.680 1.00 0.51 H new ATOM 1669 N HIS A 110 -13.502 -4.266 -3.661 1.00 0.20 N ATOM 1670 CA HIS A 110 -12.917 -5.445 -4.293 1.00 0.23 C ATOM 1671 C HIS A 110 -11.606 -5.815 -3.610 1.00 0.20 C ATOM 1672 O HIS A 110 -11.440 -6.930 -3.121 1.00 0.23 O ATOM 1673 CB HIS A 110 -12.667 -5.193 -5.785 1.00 0.27 C ATOM 1674 CG HIS A 110 -12.126 -6.385 -6.522 1.00 0.32 C ATOM 1675 ND1 HIS A 110 -12.930 -7.348 -7.087 1.00 0.40 N ATOM 1676 CD2 HIS A 110 -10.853 -6.756 -6.801 1.00 0.34 C ATOM 1677 CE1 HIS A 110 -12.178 -8.254 -7.680 1.00 0.44 C ATOM 1678 NE2 HIS A 110 -10.914 -7.919 -7.526 1.00 0.40 N ATOM 0 H HIS A 110 -13.698 -3.495 -4.300 1.00 0.20 H new ATOM 0 HA HIS A 110 -13.622 -6.270 -4.189 1.00 0.23 H new ATOM 0 HB2 HIS A 110 -13.601 -4.883 -6.252 1.00 0.27 H new ATOM 0 HB3 HIS A 110 -11.967 -4.364 -5.891 1.00 0.27 H new ATOM 0 HD1 HIS A 110 -13.949 -7.359 -7.052 1.00 0.40 H new ATOM 0 HD2 HIS A 110 -9.955 -6.232 -6.507 1.00 0.34 H new ATOM 0 HE1 HIS A 110 -12.539 -9.126 -8.205 1.00 0.44 H new ATOM 1687 N PHE A 111 -10.686 -4.862 -3.564 1.00 0.18 N ATOM 1688 CA PHE A 111 -9.367 -5.101 -3.001 1.00 0.17 C ATOM 1689 C PHE A 111 -9.412 -5.107 -1.476 1.00 0.16 C ATOM 1690 O PHE A 111 -8.521 -5.653 -0.828 1.00 0.20 O ATOM 1691 CB PHE A 111 -8.374 -4.069 -3.525 1.00 0.17 C ATOM 1692 CG PHE A 111 -8.128 -4.203 -5.003 1.00 0.21 C ATOM 1693 CD1 PHE A 111 -7.271 -5.179 -5.491 1.00 0.22 C ATOM 1694 CD2 PHE A 111 -8.753 -3.359 -5.905 1.00 0.26 C ATOM 1695 CE1 PHE A 111 -7.043 -5.307 -6.847 1.00 0.27 C ATOM 1696 CE2 PHE A 111 -8.528 -3.481 -7.263 1.00 0.31 C ATOM 1697 CZ PHE A 111 -7.672 -4.456 -7.734 1.00 0.32 C ATOM 0 H PHE A 111 -10.830 -3.914 -3.911 1.00 0.18 H new ATOM 0 HA PHE A 111 -9.030 -6.088 -3.318 1.00 0.17 H new ATOM 0 HB2 PHE A 111 -8.749 -3.068 -3.312 1.00 0.17 H new ATOM 0 HB3 PHE A 111 -7.429 -4.175 -2.992 1.00 0.17 H new ATOM 0 HD1 PHE A 111 -6.776 -5.847 -4.802 1.00 0.22 H new ATOM 0 HD2 PHE A 111 -9.425 -2.595 -5.543 1.00 0.26 H new ATOM 0 HE1 PHE A 111 -6.374 -6.072 -7.213 1.00 0.27 H new ATOM 0 HE2 PHE A 111 -9.021 -2.814 -7.955 1.00 0.31 H new ATOM 0 HZ PHE A 111 -7.494 -4.553 -8.795 1.00 0.32 H new ATOM 1707 N TYR A 112 -10.450 -4.507 -0.903 1.00 0.15 N ATOM 1708 CA TYR A 112 -10.680 -4.621 0.530 1.00 0.17 C ATOM 1709 C TYR A 112 -10.900 -6.074 0.903 1.00 0.20 C ATOM 1710 O TYR A 112 -10.196 -6.617 1.748 1.00 0.22 O ATOM 1711 CB TYR A 112 -11.889 -3.799 0.981 1.00 0.17 C ATOM 1712 CG TYR A 112 -11.637 -2.318 1.124 1.00 0.19 C ATOM 1713 CD1 TYR A 112 -10.362 -1.849 1.399 1.00 0.21 C ATOM 1714 CD2 TYR A 112 -12.658 -1.388 0.958 1.00 0.20 C ATOM 1715 CE1 TYR A 112 -10.109 -0.503 1.513 1.00 0.25 C ATOM 1716 CE2 TYR A 112 -12.410 -0.039 1.066 1.00 0.23 C ATOM 1717 CZ TYR A 112 -11.213 0.403 1.428 1.00 0.25 C ATOM 1718 OH TYR A 112 -10.882 1.740 1.446 1.00 0.32 O ATOM 0 H TYR A 112 -11.137 -3.943 -1.403 1.00 0.15 H new ATOM 0 HA TYR A 112 -9.796 -4.231 1.034 1.00 0.17 H new ATOM 0 HB2 TYR A 112 -12.697 -3.947 0.265 1.00 0.17 H new ATOM 0 HB3 TYR A 112 -12.236 -4.187 1.939 1.00 0.17 H new ATOM 0 HD1 TYR A 112 -9.553 -2.554 1.526 1.00 0.21 H new ATOM 0 HD2 TYR A 112 -13.659 -1.730 0.741 1.00 0.20 H new ATOM 0 HE1 TYR A 112 -9.103 -0.139 1.663 1.00 0.25 H new ATOM 0 HE2 TYR A 112 -13.199 0.668 0.854 1.00 0.23 H new ATOM 0 HH TYR A 112 -11.691 2.275 1.586 1.00 0.32 H new ATOM 1728 N ASN A 113 -11.868 -6.707 0.252 1.00 0.22 N ATOM 1729 CA ASN A 113 -12.175 -8.111 0.510 1.00 0.28 C ATOM 1730 C ASN A 113 -10.967 -8.988 0.192 1.00 0.27 C ATOM 1731 O ASN A 113 -10.792 -10.057 0.771 1.00 0.31 O ATOM 1732 CB ASN A 113 -13.380 -8.547 -0.322 1.00 0.34 C ATOM 1733 CG ASN A 113 -13.932 -9.888 0.120 1.00 1.02 C ATOM 1734 OD1 ASN A 113 -13.515 -10.940 -0.363 1.00 1.77 O ATOM 1735 ND2 ASN A 113 -14.872 -9.857 1.048 1.00 1.23 N ATOM 0 H ASN A 113 -12.455 -6.271 -0.459 1.00 0.22 H new ATOM 0 HA ASN A 113 -12.417 -8.226 1.566 1.00 0.28 H new ATOM 0 HB2 ASN A 113 -14.163 -7.792 -0.246 1.00 0.34 H new ATOM 0 HB3 ASN A 113 -13.092 -8.604 -1.372 1.00 0.34 H new ATOM 0 HD21 ASN A 113 -15.280 -10.727 1.390 1.00 1.23 H new ATOM 0 HD22 ASN A 113 -15.190 -8.963 1.422 1.00 1.23 H new ATOM 1742 N LYS A 114 -10.136 -8.515 -0.728 1.00 0.25 N ATOM 1743 CA LYS A 114 -8.882 -9.179 -1.063 1.00 0.24 C ATOM 1744 C LYS A 114 -7.902 -9.112 0.105 1.00 0.21 C ATOM 1745 O LYS A 114 -7.077 -10.006 0.293 1.00 0.23 O ATOM 1746 CB LYS A 114 -8.262 -8.514 -2.275 1.00 0.26 C ATOM 1747 CG LYS A 114 -9.048 -8.703 -3.552 1.00 0.34 C ATOM 1748 CD LYS A 114 -8.336 -9.674 -4.451 1.00 0.37 C ATOM 1749 CE LYS A 114 -8.862 -9.634 -5.861 1.00 0.48 C ATOM 1750 NZ LYS A 114 -8.243 -10.687 -6.708 1.00 1.25 N ATOM 0 H LYS A 114 -10.311 -7.663 -1.261 1.00 0.25 H new ATOM 0 HA LYS A 114 -9.095 -10.226 -1.281 1.00 0.24 H new ATOM 0 HB2 LYS A 114 -8.160 -7.447 -2.078 1.00 0.26 H new ATOM 0 HB3 LYS A 114 -7.256 -8.909 -2.418 1.00 0.26 H new ATOM 0 HG2 LYS A 114 -10.048 -9.072 -3.323 1.00 0.34 H new ATOM 0 HG3 LYS A 114 -9.170 -7.746 -4.059 1.00 0.34 H new ATOM 0 HD2 LYS A 114 -7.270 -9.447 -4.456 1.00 0.37 H new ATOM 0 HD3 LYS A 114 -8.445 -10.683 -4.053 1.00 0.37 H new ATOM 0 HE2 LYS A 114 -9.944 -9.765 -5.850 1.00 0.48 H new ATOM 0 HE3 LYS A 114 -8.664 -8.654 -6.296 1.00 0.48 H new ATOM 0 HZ1 LYS A 114 -8.629 -10.629 -7.672 1.00 1.25 H new ATOM 0 HZ2 LYS A 114 -7.213 -10.547 -6.739 1.00 1.25 H new ATOM 0 HZ3 LYS A 114 -8.453 -11.623 -6.307 1.00 1.25 H new ATOM 1764 N SER A 115 -7.983 -8.036 0.874 1.00 0.20 N ATOM 1765 CA SER A 115 -7.189 -7.903 2.083 1.00 0.21 C ATOM 1766 C SER A 115 -7.729 -8.848 3.145 1.00 0.25 C ATOM 1767 O SER A 115 -6.968 -9.560 3.796 1.00 0.28 O ATOM 1768 CB SER A 115 -7.226 -6.465 2.594 1.00 0.23 C ATOM 1769 OG SER A 115 -6.460 -6.318 3.772 1.00 1.04 O ATOM 0 H SER A 115 -8.593 -7.242 0.680 1.00 0.20 H new ATOM 0 HA SER A 115 -6.154 -8.159 1.859 1.00 0.21 H new ATOM 0 HB2 SER A 115 -6.845 -5.794 1.824 1.00 0.23 H new ATOM 0 HB3 SER A 115 -8.258 -6.173 2.790 1.00 0.23 H new ATOM 0 HG SER A 115 -5.815 -5.590 3.654 1.00 1.04 H new ATOM 1775 N LEU A 116 -9.057 -8.859 3.297 1.00 0.26 N ATOM 1776 CA LEU A 116 -9.724 -9.822 4.169 1.00 0.31 C ATOM 1777 C LEU A 116 -9.329 -11.239 3.759 1.00 0.33 C ATOM 1778 O LEU A 116 -9.198 -12.137 4.593 1.00 0.38 O ATOM 1779 CB LEU A 116 -11.257 -9.682 4.098 1.00 0.34 C ATOM 1780 CG LEU A 116 -11.900 -8.527 4.890 1.00 0.36 C ATOM 1781 CD1 LEU A 116 -11.347 -8.462 6.296 1.00 0.38 C ATOM 1782 CD2 LEU A 116 -11.721 -7.193 4.192 1.00 0.35 C ATOM 0 H LEU A 116 -9.688 -8.211 2.826 1.00 0.26 H new ATOM 0 HA LEU A 116 -9.410 -9.622 5.194 1.00 0.31 H new ATOM 0 HB2 LEU A 116 -11.537 -9.569 3.051 1.00 0.34 H new ATOM 0 HB3 LEU A 116 -11.697 -10.616 4.447 1.00 0.34 H new ATOM 0 HG LEU A 116 -12.969 -8.733 4.943 1.00 0.36 H new ATOM 0 HD11 LEU A 116 -11.817 -7.639 6.834 1.00 0.38 H new ATOM 0 HD12 LEU A 116 -11.555 -9.399 6.813 1.00 0.38 H new ATOM 0 HD13 LEU A 116 -10.270 -8.302 6.256 1.00 0.38 H new ATOM 0 HD21 LEU A 116 -12.189 -6.407 4.784 1.00 0.35 H new ATOM 0 HD22 LEU A 116 -10.658 -6.980 4.082 1.00 0.35 H new ATOM 0 HD23 LEU A 116 -12.187 -7.232 3.208 1.00 0.35 H new ATOM 1794 N ALA A 117 -9.132 -11.408 2.457 1.00 0.31 N ATOM 1795 CA ALA A 117 -8.736 -12.677 1.874 1.00 0.33 C ATOM 1796 C ALA A 117 -7.373 -13.126 2.397 1.00 0.33 C ATOM 1797 O ALA A 117 -7.222 -14.258 2.855 1.00 0.41 O ATOM 1798 CB ALA A 117 -8.721 -12.555 0.354 1.00 0.32 C ATOM 0 H ALA A 117 -9.244 -10.660 1.773 1.00 0.31 H new ATOM 0 HA ALA A 117 -9.461 -13.437 2.165 1.00 0.33 H new ATOM 0 HB1 ALA A 117 -8.424 -13.508 -0.085 1.00 0.32 H new ATOM 0 HB2 ALA A 117 -9.717 -12.288 0.001 1.00 0.32 H new ATOM 0 HB3 ALA A 117 -8.012 -11.782 0.058 1.00 0.32 H new ATOM 1804 N GLU A 118 -6.387 -12.234 2.349 1.00 0.29 N ATOM 1805 CA GLU A 118 -5.032 -12.583 2.767 1.00 0.30 C ATOM 1806 C GLU A 118 -4.875 -12.524 4.283 1.00 0.32 C ATOM 1807 O GLU A 118 -4.431 -13.484 4.909 1.00 0.36 O ATOM 1808 CB GLU A 118 -4.015 -11.644 2.118 1.00 0.27 C ATOM 1809 CG GLU A 118 -3.986 -11.720 0.602 1.00 0.30 C ATOM 1810 CD GLU A 118 -3.949 -13.139 0.078 1.00 0.41 C ATOM 1811 OE1 GLU A 118 -3.166 -13.959 0.603 1.00 0.53 O ATOM 1812 OE2 GLU A 118 -4.702 -13.443 -0.869 1.00 0.53 O ATOM 0 H GLU A 118 -6.499 -11.272 2.028 1.00 0.29 H new ATOM 0 HA GLU A 118 -4.849 -13.607 2.442 1.00 0.30 H new ATOM 0 HB2 GLU A 118 -4.239 -10.620 2.416 1.00 0.27 H new ATOM 0 HB3 GLU A 118 -3.022 -11.878 2.503 1.00 0.27 H new ATOM 0 HG2 GLU A 118 -4.865 -11.215 0.202 1.00 0.30 H new ATOM 0 HG3 GLU A 118 -3.113 -11.181 0.234 1.00 0.30 H new ATOM 1819 N HIS A 119 -5.275 -11.411 4.873 1.00 0.32 N ATOM 1820 CA HIS A 119 -5.100 -11.194 6.300 1.00 0.36 C ATOM 1821 C HIS A 119 -6.303 -10.437 6.854 1.00 0.37 C ATOM 1822 O HIS A 119 -6.384 -9.211 6.766 1.00 0.36 O ATOM 1823 CB HIS A 119 -3.769 -10.454 6.550 1.00 0.35 C ATOM 1824 CG HIS A 119 -3.551 -9.922 7.940 1.00 0.40 C ATOM 1825 ND1 HIS A 119 -2.693 -8.876 8.223 1.00 0.42 N ATOM 1826 CD2 HIS A 119 -4.046 -10.318 9.127 1.00 0.45 C ATOM 1827 CE1 HIS A 119 -2.674 -8.667 9.526 1.00 0.48 C ATOM 1828 NE2 HIS A 119 -3.486 -9.529 10.095 1.00 0.50 N ATOM 0 H HIS A 119 -5.726 -10.639 4.383 1.00 0.32 H new ATOM 0 HA HIS A 119 -5.046 -12.147 6.826 1.00 0.36 H new ATOM 0 HB2 HIS A 119 -2.950 -11.133 6.312 1.00 0.35 H new ATOM 0 HB3 HIS A 119 -3.705 -9.620 5.851 1.00 0.35 H new ATOM 0 HD2 HIS A 119 -4.757 -11.115 9.287 1.00 0.45 H new ATOM 0 HE1 HIS A 119 -2.091 -7.916 10.037 1.00 0.48 H new ATOM 0 HE2 HIS A 119 -3.669 -9.599 11.096 1.00 0.50 H new ATOM 1837 N ARG A 120 -7.227 -11.192 7.434 1.00 0.41 N ATOM 1838 CA ARG A 120 -8.487 -10.647 7.918 1.00 0.43 C ATOM 1839 C ARG A 120 -8.257 -9.719 9.103 1.00 0.46 C ATOM 1840 O ARG A 120 -7.953 -10.162 10.214 1.00 0.53 O ATOM 1841 CB ARG A 120 -9.440 -11.783 8.299 1.00 0.49 C ATOM 1842 CG ARG A 120 -10.802 -11.311 8.785 1.00 0.55 C ATOM 1843 CD ARG A 120 -11.727 -12.481 9.068 1.00 0.62 C ATOM 1844 NE ARG A 120 -11.955 -13.310 7.884 1.00 1.38 N ATOM 1845 CZ ARG A 120 -12.250 -14.608 7.933 1.00 1.78 C ATOM 1846 NH1 ARG A 120 -12.386 -15.216 9.108 1.00 1.57 N ATOM 1847 NH2 ARG A 120 -12.421 -15.295 6.810 1.00 2.87 N ATOM 0 H ARG A 120 -7.124 -12.196 7.581 1.00 0.41 H new ATOM 0 HA ARG A 120 -8.941 -10.063 7.118 1.00 0.43 H new ATOM 0 HB2 ARG A 120 -9.579 -12.432 7.435 1.00 0.49 H new ATOM 0 HB3 ARG A 120 -8.976 -12.386 9.079 1.00 0.49 H new ATOM 0 HG2 ARG A 120 -10.680 -10.715 9.689 1.00 0.55 H new ATOM 0 HG3 ARG A 120 -11.253 -10.662 8.034 1.00 0.55 H new ATOM 0 HD2 ARG A 120 -11.300 -13.095 9.861 1.00 0.62 H new ATOM 0 HD3 ARG A 120 -12.682 -12.105 9.435 1.00 0.62 H new ATOM 0 HE ARG A 120 -11.884 -12.868 6.967 1.00 1.38 H new ATOM 0 HH11 ARG A 120 -12.264 -14.688 9.972 1.00 1.57 H new ATOM 0 HH12 ARG A 120 -12.612 -16.210 9.145 1.00 1.57 H new ATOM 0 HH21 ARG A 120 -12.327 -14.829 5.908 1.00 2.87 H new ATOM 0 HH22 ARG A 120 -12.647 -16.289 6.850 1.00 2.87 H new ATOM 1861 N THR A 121 -8.393 -8.429 8.850 1.00 0.45 N ATOM 1862 CA THR A 121 -8.200 -7.422 9.871 1.00 0.50 C ATOM 1863 C THR A 121 -9.368 -6.438 9.894 1.00 0.49 C ATOM 1864 O THR A 121 -9.938 -6.106 8.850 1.00 0.47 O ATOM 1865 CB THR A 121 -6.878 -6.676 9.662 1.00 0.53 C ATOM 1866 OG1 THR A 121 -6.577 -6.573 8.261 1.00 0.52 O ATOM 1867 CG2 THR A 121 -5.746 -7.370 10.393 1.00 0.62 C ATOM 0 H THR A 121 -8.639 -8.054 7.934 1.00 0.45 H new ATOM 0 HA THR A 121 -8.159 -7.929 10.835 1.00 0.50 H new ATOM 0 HB THR A 121 -6.986 -5.672 10.072 1.00 0.53 H new ATOM 0 HG1 THR A 121 -6.393 -7.465 7.900 1.00 0.52 H new ATOM 0 HG21 THR A 121 -4.818 -6.822 10.230 1.00 0.62 H new ATOM 0 HG22 THR A 121 -5.967 -7.401 11.460 1.00 0.62 H new ATOM 0 HG23 THR A 121 -5.638 -8.387 10.015 1.00 0.62 H new ATOM 1875 N PRO A 122 -9.732 -5.965 11.099 1.00 0.56 N ATOM 1876 CA PRO A 122 -10.961 -5.202 11.332 1.00 0.56 C ATOM 1877 C PRO A 122 -11.014 -3.868 10.599 1.00 0.51 C ATOM 1878 O PRO A 122 -12.095 -3.358 10.334 1.00 0.50 O ATOM 1879 CB PRO A 122 -10.959 -4.968 12.837 1.00 0.65 C ATOM 1880 CG PRO A 122 -10.028 -5.976 13.391 1.00 0.76 C ATOM 1881 CD PRO A 122 -8.973 -6.135 12.349 1.00 0.69 C ATOM 0 HA PRO A 122 -11.827 -5.749 10.958 1.00 0.56 H new ATOM 0 HB2 PRO A 122 -10.631 -3.957 13.077 1.00 0.65 H new ATOM 0 HB3 PRO A 122 -11.959 -5.086 13.254 1.00 0.65 H new ATOM 0 HG2 PRO A 122 -9.602 -5.643 14.337 1.00 0.76 H new ATOM 0 HG3 PRO A 122 -10.537 -6.920 13.585 1.00 0.76 H new ATOM 0 HD2 PRO A 122 -8.186 -5.388 12.451 1.00 0.69 H new ATOM 0 HD3 PRO A 122 -8.493 -7.112 12.403 1.00 0.69 H new ATOM 1889 N ASP A 123 -9.858 -3.306 10.268 1.00 0.50 N ATOM 1890 CA ASP A 123 -9.810 -1.996 9.619 1.00 0.48 C ATOM 1891 C ASP A 123 -10.159 -2.075 8.149 1.00 0.40 C ATOM 1892 O ASP A 123 -10.688 -1.116 7.590 1.00 0.40 O ATOM 1893 CB ASP A 123 -8.452 -1.334 9.813 1.00 0.55 C ATOM 1894 CG ASP A 123 -8.246 -0.871 11.239 1.00 1.42 C ATOM 1895 OD1 ASP A 123 -8.758 0.210 11.600 1.00 2.06 O ATOM 1896 OD2 ASP A 123 -7.558 -1.581 12.005 1.00 2.20 O ATOM 0 H ASP A 123 -8.946 -3.731 10.435 1.00 0.50 H new ATOM 0 HA ASP A 123 -10.567 -1.378 10.102 1.00 0.48 H new ATOM 0 HB2 ASP A 123 -7.664 -2.037 9.543 1.00 0.55 H new ATOM 0 HB3 ASP A 123 -8.364 -0.482 9.139 1.00 0.55 H new ATOM 1901 N VAL A 124 -9.901 -3.204 7.515 1.00 0.35 N ATOM 1902 CA VAL A 124 -10.312 -3.350 6.132 1.00 0.29 C ATOM 1903 C VAL A 124 -11.760 -3.799 6.085 1.00 0.28 C ATOM 1904 O VAL A 124 -12.487 -3.476 5.159 1.00 0.28 O ATOM 1905 CB VAL A 124 -9.467 -4.344 5.327 1.00 0.28 C ATOM 1906 CG1 VAL A 124 -9.583 -4.029 3.846 1.00 0.32 C ATOM 1907 CG2 VAL A 124 -8.015 -4.350 5.771 1.00 0.31 C ATOM 0 H VAL A 124 -9.424 -4.010 7.920 1.00 0.35 H new ATOM 0 HA VAL A 124 -10.173 -2.372 5.671 1.00 0.29 H new ATOM 0 HB VAL A 124 -9.854 -5.346 5.513 1.00 0.28 H new ATOM 0 HG11 VAL A 124 -8.982 -4.737 3.275 1.00 0.32 H new ATOM 0 HG12 VAL A 124 -10.626 -4.108 3.538 1.00 0.32 H new ATOM 0 HG13 VAL A 124 -9.225 -3.016 3.660 1.00 0.32 H new ATOM 0 HG21 VAL A 124 -7.455 -5.069 5.173 1.00 0.31 H new ATOM 0 HG22 VAL A 124 -7.589 -3.356 5.636 1.00 0.31 H new ATOM 0 HG23 VAL A 124 -7.957 -4.630 6.823 1.00 0.31 H new ATOM 1917 N LEU A 125 -12.164 -4.558 7.095 1.00 0.35 N ATOM 1918 CA LEU A 125 -13.560 -4.936 7.259 1.00 0.38 C ATOM 1919 C LEU A 125 -14.382 -3.666 7.469 1.00 0.38 C ATOM 1920 O LEU A 125 -15.416 -3.457 6.833 1.00 0.38 O ATOM 1921 CB LEU A 125 -13.686 -5.895 8.450 1.00 0.45 C ATOM 1922 CG LEU A 125 -15.030 -6.608 8.609 1.00 0.51 C ATOM 1923 CD1 LEU A 125 -14.845 -7.899 9.388 1.00 0.61 C ATOM 1924 CD2 LEU A 125 -16.036 -5.718 9.322 1.00 0.54 C ATOM 0 H LEU A 125 -11.542 -4.925 7.815 1.00 0.35 H new ATOM 0 HA LEU A 125 -13.934 -5.451 6.374 1.00 0.38 H new ATOM 0 HB2 LEU A 125 -12.906 -6.651 8.364 1.00 0.45 H new ATOM 0 HB3 LEU A 125 -13.487 -5.334 9.363 1.00 0.45 H new ATOM 0 HG LEU A 125 -15.414 -6.836 7.615 1.00 0.51 H new ATOM 0 HD11 LEU A 125 -15.807 -8.400 9.496 1.00 0.61 H new ATOM 0 HD12 LEU A 125 -14.155 -8.551 8.853 1.00 0.61 H new ATOM 0 HD13 LEU A 125 -14.440 -7.674 10.375 1.00 0.61 H new ATOM 0 HD21 LEU A 125 -16.983 -6.248 9.423 1.00 0.54 H new ATOM 0 HD22 LEU A 125 -15.657 -5.461 10.311 1.00 0.54 H new ATOM 0 HD23 LEU A 125 -16.190 -4.807 8.744 1.00 0.54 H new ATOM 1936 N LYS A 126 -13.877 -2.821 8.362 1.00 0.40 N ATOM 1937 CA LYS A 126 -14.396 -1.478 8.584 1.00 0.42 C ATOM 1938 C LYS A 126 -14.523 -0.727 7.265 1.00 0.39 C ATOM 1939 O LYS A 126 -15.594 -0.236 6.910 1.00 0.43 O ATOM 1940 CB LYS A 126 -13.430 -0.739 9.512 1.00 0.48 C ATOM 1941 CG LYS A 126 -13.651 0.761 9.618 1.00 0.58 C ATOM 1942 CD LYS A 126 -12.505 1.432 10.364 1.00 0.72 C ATOM 1943 CE LYS A 126 -12.321 0.861 11.762 1.00 1.37 C ATOM 1944 NZ LYS A 126 -11.109 1.403 12.432 1.00 2.04 N ATOM 0 H LYS A 126 -13.084 -3.054 8.960 1.00 0.40 H new ATOM 0 HA LYS A 126 -15.387 -1.537 9.035 1.00 0.42 H new ATOM 0 HB2 LYS A 126 -13.507 -1.172 10.509 1.00 0.48 H new ATOM 0 HB3 LYS A 126 -12.412 -0.916 9.165 1.00 0.48 H new ATOM 0 HG2 LYS A 126 -13.740 1.190 8.620 1.00 0.58 H new ATOM 0 HG3 LYS A 126 -14.590 0.958 10.135 1.00 0.58 H new ATOM 0 HD2 LYS A 126 -11.582 1.308 9.798 1.00 0.72 H new ATOM 0 HD3 LYS A 126 -12.695 2.503 10.432 1.00 0.72 H new ATOM 0 HE2 LYS A 126 -13.200 1.088 12.365 1.00 1.37 H new ATOM 0 HE3 LYS A 126 -12.247 -0.225 11.703 1.00 1.37 H new ATOM 0 HZ1 LYS A 126 -11.185 1.256 13.459 1.00 2.04 H new ATOM 0 HZ2 LYS A 126 -10.265 0.912 12.074 1.00 2.04 H new ATOM 0 HZ3 LYS A 126 -11.028 2.421 12.233 1.00 2.04 H new ATOM 1958 N LYS A 127 -13.413 -0.667 6.545 1.00 0.33 N ATOM 1959 CA LYS A 127 -13.335 0.043 5.280 1.00 0.31 C ATOM 1960 C LYS A 127 -14.279 -0.536 4.243 1.00 0.27 C ATOM 1961 O LYS A 127 -14.928 0.201 3.501 1.00 0.27 O ATOM 1962 CB LYS A 127 -11.910 -0.015 4.755 1.00 0.31 C ATOM 1963 CG LYS A 127 -11.210 1.328 4.782 1.00 0.52 C ATOM 1964 CD LYS A 127 -11.196 1.941 6.170 1.00 0.55 C ATOM 1965 CE LYS A 127 -10.914 3.432 6.095 1.00 0.82 C ATOM 1966 NZ LYS A 127 -9.590 3.732 5.485 1.00 1.48 N ATOM 0 H LYS A 127 -12.538 -1.112 6.824 1.00 0.33 H new ATOM 0 HA LYS A 127 -13.633 1.076 5.460 1.00 0.31 H new ATOM 0 HB2 LYS A 127 -11.339 -0.727 5.350 1.00 0.31 H new ATOM 0 HB3 LYS A 127 -11.921 -0.391 3.732 1.00 0.31 H new ATOM 0 HG2 LYS A 127 -10.186 1.209 4.429 1.00 0.52 H new ATOM 0 HG3 LYS A 127 -11.708 2.009 4.091 1.00 0.52 H new ATOM 0 HD2 LYS A 127 -12.156 1.771 6.658 1.00 0.55 H new ATOM 0 HD3 LYS A 127 -10.437 1.452 6.781 1.00 0.55 H new ATOM 0 HE2 LYS A 127 -11.697 3.918 5.513 1.00 0.82 H new ATOM 0 HE3 LYS A 127 -10.953 3.857 7.098 1.00 0.82 H new ATOM 0 HZ1 LYS A 127 -9.208 4.607 5.898 1.00 1.48 H new ATOM 0 HZ2 LYS A 127 -8.935 2.946 5.673 1.00 1.48 H new ATOM 0 HZ3 LYS A 127 -9.700 3.853 4.458 1.00 1.48 H new ATOM 1980 N CYS A 128 -14.345 -1.854 4.192 1.00 0.27 N ATOM 1981 CA CYS A 128 -15.162 -2.534 3.213 1.00 0.26 C ATOM 1982 C CYS A 128 -16.629 -2.178 3.417 1.00 0.29 C ATOM 1983 O CYS A 128 -17.327 -1.827 2.469 1.00 0.32 O ATOM 1984 CB CYS A 128 -14.950 -4.052 3.298 1.00 0.26 C ATOM 1985 SG CYS A 128 -15.958 -5.016 2.145 1.00 0.91 S ATOM 0 H CYS A 128 -13.838 -2.475 4.823 1.00 0.27 H new ATOM 0 HA CYS A 128 -14.864 -2.207 2.217 1.00 0.26 H new ATOM 0 HB2 CYS A 128 -13.898 -4.270 3.112 1.00 0.26 H new ATOM 0 HB3 CYS A 128 -15.169 -4.380 4.314 1.00 0.26 H new ATOM 0 HG CYS A 128 -16.947 -4.288 1.720 1.00 0.91 H new ATOM 1991 N GLN A 129 -17.075 -2.237 4.671 1.00 0.32 N ATOM 1992 CA GLN A 129 -18.442 -1.869 5.014 1.00 0.36 C ATOM 1993 C GLN A 129 -18.673 -0.384 4.772 1.00 0.32 C ATOM 1994 O GLN A 129 -19.761 0.030 4.373 1.00 0.35 O ATOM 1995 CB GLN A 129 -18.741 -2.192 6.475 1.00 0.44 C ATOM 1996 CG GLN A 129 -18.654 -3.672 6.805 1.00 0.50 C ATOM 1997 CD GLN A 129 -18.829 -3.953 8.286 1.00 0.60 C ATOM 1998 OE1 GLN A 129 -19.338 -5.005 8.675 1.00 1.38 O ATOM 1999 NE2 GLN A 129 -18.402 -3.022 9.125 1.00 1.10 N ATOM 0 H GLN A 129 -16.507 -2.536 5.464 1.00 0.32 H new ATOM 0 HA GLN A 129 -19.111 -2.448 4.377 1.00 0.36 H new ATOM 0 HB2 GLN A 129 -18.042 -1.646 7.109 1.00 0.44 H new ATOM 0 HB3 GLN A 129 -19.741 -1.833 6.720 1.00 0.44 H new ATOM 0 HG2 GLN A 129 -19.418 -4.211 6.244 1.00 0.50 H new ATOM 0 HG3 GLN A 129 -17.688 -4.057 6.478 1.00 0.50 H new ATOM 0 HE21 GLN A 129 -17.986 -2.163 8.765 1.00 1.10 H new ATOM 0 HE22 GLN A 129 -18.489 -3.164 10.131 1.00 1.10 H new ATOM 2008 N GLN A 130 -17.640 0.409 5.022 1.00 0.31 N ATOM 2009 CA GLN A 130 -17.717 1.852 4.858 1.00 0.30 C ATOM 2010 C GLN A 130 -17.934 2.216 3.392 1.00 0.26 C ATOM 2011 O GLN A 130 -18.836 2.977 3.061 1.00 0.27 O ATOM 2012 CB GLN A 130 -16.436 2.517 5.371 1.00 0.34 C ATOM 2013 CG GLN A 130 -16.517 4.034 5.457 1.00 0.41 C ATOM 2014 CD GLN A 130 -17.492 4.528 6.513 1.00 0.94 C ATOM 2015 OE1 GLN A 130 -18.498 3.885 6.810 1.00 1.72 O ATOM 2016 NE2 GLN A 130 -17.197 5.679 7.089 1.00 1.65 N ATOM 0 H GLN A 130 -16.732 0.072 5.342 1.00 0.31 H new ATOM 0 HA GLN A 130 -18.564 2.214 5.440 1.00 0.30 H new ATOM 0 HB2 GLN A 130 -16.203 2.119 6.359 1.00 0.34 H new ATOM 0 HB3 GLN A 130 -15.610 2.244 4.715 1.00 0.34 H new ATOM 0 HG2 GLN A 130 -15.526 4.432 5.674 1.00 0.41 H new ATOM 0 HG3 GLN A 130 -16.813 4.430 4.486 1.00 0.41 H new ATOM 0 HE21 GLN A 130 -16.354 6.184 6.817 1.00 1.65 H new ATOM 0 HE22 GLN A 130 -17.812 6.063 7.806 1.00 1.65 H new ATOM 2025 N ALA A 131 -17.123 1.650 2.515 1.00 0.23 N ATOM 2026 CA ALA A 131 -17.165 2.010 1.106 1.00 0.21 C ATOM 2027 C ALA A 131 -18.476 1.603 0.442 1.00 0.23 C ATOM 2028 O ALA A 131 -18.977 2.321 -0.416 1.00 0.29 O ATOM 2029 CB ALA A 131 -15.986 1.411 0.366 1.00 0.20 C ATOM 0 H ALA A 131 -16.429 0.941 2.752 1.00 0.23 H new ATOM 0 HA ALA A 131 -17.102 3.097 1.053 1.00 0.21 H new ATOM 0 HB1 ALA A 131 -16.036 1.692 -0.686 1.00 0.20 H new ATOM 0 HB2 ALA A 131 -15.058 1.785 0.798 1.00 0.20 H new ATOM 0 HB3 ALA A 131 -16.015 0.325 0.453 1.00 0.20 H new ATOM 2035 N GLU A 132 -19.039 0.464 0.836 1.00 0.26 N ATOM 2036 CA GLU A 132 -20.278 -0.006 0.217 1.00 0.35 C ATOM 2037 C GLU A 132 -21.478 0.841 0.639 1.00 0.35 C ATOM 2038 O GLU A 132 -22.400 1.047 -0.151 1.00 0.43 O ATOM 2039 CB GLU A 132 -20.532 -1.489 0.513 1.00 0.48 C ATOM 2040 CG GLU A 132 -20.299 -1.885 1.954 1.00 1.02 C ATOM 2041 CD GLU A 132 -20.921 -3.219 2.303 1.00 1.24 C ATOM 2042 OE1 GLU A 132 -22.167 -3.307 2.319 1.00 2.04 O ATOM 2043 OE2 GLU A 132 -20.174 -4.185 2.563 1.00 1.41 O ATOM 0 H GLU A 132 -18.667 -0.142 1.567 1.00 0.26 H new ATOM 0 HA GLU A 132 -20.153 0.104 -0.860 1.00 0.35 H new ATOM 0 HB2 GLU A 132 -21.560 -1.730 0.244 1.00 0.48 H new ATOM 0 HB3 GLU A 132 -19.886 -2.091 -0.126 1.00 0.48 H new ATOM 0 HG2 GLU A 132 -19.227 -1.928 2.145 1.00 1.02 H new ATOM 0 HG3 GLU A 132 -20.709 -1.116 2.608 1.00 1.02 H new ATOM 2050 N LYS A 133 -21.468 1.338 1.872 1.00 0.32 N ATOM 2051 CA LYS A 133 -22.537 2.220 2.326 1.00 0.36 C ATOM 2052 C LYS A 133 -22.334 3.621 1.755 1.00 0.37 C ATOM 2053 O LYS A 133 -23.295 4.302 1.404 1.00 0.46 O ATOM 2054 CB LYS A 133 -22.621 2.251 3.861 1.00 0.37 C ATOM 2055 CG LYS A 133 -21.343 2.699 4.550 1.00 0.36 C ATOM 2056 CD LYS A 133 -21.409 2.550 6.067 1.00 0.66 C ATOM 2057 CE LYS A 133 -22.189 3.678 6.738 1.00 1.04 C ATOM 2058 NZ LYS A 133 -23.660 3.578 6.525 1.00 1.90 N ATOM 0 H LYS A 133 -20.744 1.149 2.565 1.00 0.32 H new ATOM 0 HA LYS A 133 -23.487 1.830 1.960 1.00 0.36 H new ATOM 0 HB2 LYS A 133 -23.431 2.918 4.155 1.00 0.37 H new ATOM 0 HB3 LYS A 133 -22.882 1.255 4.219 1.00 0.37 H new ATOM 0 HG2 LYS A 133 -20.505 2.116 4.168 1.00 0.36 H new ATOM 0 HG3 LYS A 133 -21.146 3.741 4.300 1.00 0.36 H new ATOM 0 HD2 LYS A 133 -21.874 1.596 6.314 1.00 0.66 H new ATOM 0 HD3 LYS A 133 -20.396 2.525 6.470 1.00 0.66 H new ATOM 0 HE2 LYS A 133 -21.981 3.669 7.808 1.00 1.04 H new ATOM 0 HE3 LYS A 133 -21.836 4.635 6.353 1.00 1.04 H new ATOM 0 HZ1 LYS A 133 -24.157 3.865 7.393 1.00 1.90 H new ATOM 0 HZ2 LYS A 133 -23.941 4.203 5.743 1.00 1.90 H new ATOM 0 HZ3 LYS A 133 -23.911 2.596 6.291 1.00 1.90 H new ATOM 2072 N ILE A 134 -21.074 4.032 1.641 1.00 0.32 N ATOM 2073 CA ILE A 134 -20.734 5.304 1.015 1.00 0.34 C ATOM 2074 C ILE A 134 -21.150 5.309 -0.451 1.00 0.39 C ATOM 2075 O ILE A 134 -21.847 6.213 -0.909 1.00 0.48 O ATOM 2076 CB ILE A 134 -19.218 5.596 1.103 1.00 0.31 C ATOM 2077 CG1 ILE A 134 -18.810 5.939 2.527 1.00 0.32 C ATOM 2078 CG2 ILE A 134 -18.828 6.727 0.183 1.00 0.34 C ATOM 2079 CD1 ILE A 134 -17.327 6.202 2.682 1.00 0.33 C ATOM 0 H ILE A 134 -20.270 3.500 1.975 1.00 0.32 H new ATOM 0 HA ILE A 134 -21.275 6.080 1.557 1.00 0.34 H new ATOM 0 HB ILE A 134 -18.696 4.691 0.792 1.00 0.31 H new ATOM 0 HG12 ILE A 134 -19.363 6.820 2.853 1.00 0.32 H new ATOM 0 HG13 ILE A 134 -19.097 5.120 3.186 1.00 0.32 H new ATOM 0 HG21 ILE A 134 -17.757 6.910 0.266 1.00 0.34 H new ATOM 0 HG22 ILE A 134 -19.072 6.460 -0.845 1.00 0.34 H new ATOM 0 HG23 ILE A 134 -19.373 7.628 0.463 1.00 0.34 H new ATOM 0 HD11 ILE A 134 -17.107 6.440 3.723 1.00 0.33 H new ATOM 0 HD12 ILE A 134 -16.767 5.315 2.387 1.00 0.33 H new ATOM 0 HD13 ILE A 134 -17.038 7.041 2.049 1.00 0.33 H new ATOM 2091 N LEU A 135 -20.725 4.280 -1.175 1.00 0.38 N ATOM 2092 CA LEU A 135 -21.001 4.169 -2.599 1.00 0.48 C ATOM 2093 C LEU A 135 -22.500 4.147 -2.860 1.00 0.58 C ATOM 2094 O LEU A 135 -22.976 4.711 -3.843 1.00 0.71 O ATOM 2095 CB LEU A 135 -20.356 2.904 -3.165 1.00 0.51 C ATOM 2096 CG LEU A 135 -20.476 2.737 -4.680 1.00 0.59 C ATOM 2097 CD1 LEU A 135 -19.769 3.870 -5.409 1.00 1.33 C ATOM 2098 CD2 LEU A 135 -19.925 1.387 -5.112 1.00 1.37 C ATOM 0 H LEU A 135 -20.183 3.505 -0.793 1.00 0.38 H new ATOM 0 HA LEU A 135 -20.576 5.041 -3.097 1.00 0.48 H new ATOM 0 HB2 LEU A 135 -19.299 2.903 -2.898 1.00 0.51 H new ATOM 0 HB3 LEU A 135 -20.808 2.037 -2.683 1.00 0.51 H new ATOM 0 HG LEU A 135 -21.532 2.776 -4.946 1.00 0.59 H new ATOM 0 HD11 LEU A 135 -19.869 3.728 -6.485 1.00 1.33 H new ATOM 0 HD12 LEU A 135 -20.218 4.822 -5.125 1.00 1.33 H new ATOM 0 HD13 LEU A 135 -18.713 3.873 -5.140 1.00 1.33 H new ATOM 0 HD21 LEU A 135 -20.018 1.285 -6.193 1.00 1.37 H new ATOM 0 HD22 LEU A 135 -18.874 1.316 -4.830 1.00 1.37 H new ATOM 0 HD23 LEU A 135 -20.487 0.591 -4.623 1.00 1.37 H new ATOM 2110 N LYS A 136 -23.239 3.511 -1.961 1.00 0.58 N ATOM 2111 CA LYS A 136 -24.686 3.428 -2.086 1.00 0.72 C ATOM 2112 C LYS A 136 -25.319 4.813 -1.980 1.00 0.77 C ATOM 2113 O LYS A 136 -26.358 5.076 -2.579 1.00 0.91 O ATOM 2114 CB LYS A 136 -25.255 2.496 -1.020 1.00 0.79 C ATOM 2115 CG LYS A 136 -26.762 2.323 -1.097 1.00 1.26 C ATOM 2116 CD LYS A 136 -27.256 1.303 -0.089 1.00 1.73 C ATOM 2117 CE LYS A 136 -28.767 1.153 -0.143 1.00 2.54 C ATOM 2118 NZ LYS A 136 -29.259 0.155 0.841 1.00 3.36 N ATOM 0 H LYS A 136 -22.859 3.045 -1.137 1.00 0.58 H new ATOM 0 HA LYS A 136 -24.924 3.021 -3.069 1.00 0.72 H new ATOM 0 HB2 LYS A 136 -24.781 1.519 -1.115 1.00 0.79 H new ATOM 0 HB3 LYS A 136 -24.993 2.883 -0.035 1.00 0.79 H new ATOM 0 HG2 LYS A 136 -27.249 3.281 -0.915 1.00 1.26 H new ATOM 0 HG3 LYS A 136 -27.042 2.008 -2.102 1.00 1.26 H new ATOM 0 HD2 LYS A 136 -26.786 0.339 -0.285 1.00 1.73 H new ATOM 0 HD3 LYS A 136 -26.955 1.606 0.914 1.00 1.73 H new ATOM 0 HE2 LYS A 136 -29.235 2.118 0.053 1.00 2.54 H new ATOM 0 HE3 LYS A 136 -29.066 0.852 -1.147 1.00 2.54 H new ATOM 0 HZ1 LYS A 136 -30.294 0.082 0.773 1.00 3.36 H new ATOM 0 HZ2 LYS A 136 -28.832 -0.772 0.639 1.00 3.36 H new ATOM 0 HZ3 LYS A 136 -28.996 0.455 1.801 1.00 3.36 H new ATOM 2132 N GLU A 137 -24.678 5.701 -1.232 1.00 0.70 N ATOM 2133 CA GLU A 137 -25.165 7.063 -1.088 1.00 0.82 C ATOM 2134 C GLU A 137 -24.657 7.948 -2.224 1.00 0.87 C ATOM 2135 O GLU A 137 -25.131 9.067 -2.423 1.00 1.03 O ATOM 2136 CB GLU A 137 -24.746 7.635 0.252 1.00 0.82 C ATOM 2137 CG GLU A 137 -25.335 6.865 1.410 1.00 1.02 C ATOM 2138 CD GLU A 137 -26.841 6.712 1.321 1.00 1.61 C ATOM 2139 OE1 GLU A 137 -27.560 7.724 1.457 1.00 2.01 O ATOM 2140 OE2 GLU A 137 -27.315 5.574 1.118 1.00 2.28 O ATOM 0 H GLU A 137 -23.821 5.501 -0.717 1.00 0.70 H new ATOM 0 HA GLU A 137 -26.254 7.040 -1.135 1.00 0.82 H new ATOM 0 HB2 GLU A 137 -23.659 7.624 0.326 1.00 0.82 H new ATOM 0 HB3 GLU A 137 -25.059 8.677 0.314 1.00 0.82 H new ATOM 0 HG2 GLU A 137 -24.878 5.876 1.451 1.00 1.02 H new ATOM 0 HG3 GLU A 137 -25.082 7.372 2.341 1.00 1.02 H new ATOM 2147 N GLN A 138 -23.670 7.447 -2.957 1.00 0.80 N ATOM 2148 CA GLN A 138 -23.098 8.175 -4.078 1.00 0.89 C ATOM 2149 C GLN A 138 -23.838 7.886 -5.378 1.00 1.04 C ATOM 2150 O GLN A 138 -23.612 8.552 -6.388 1.00 1.19 O ATOM 2151 CB GLN A 138 -21.626 7.820 -4.223 1.00 0.87 C ATOM 2152 CG GLN A 138 -20.795 8.313 -3.059 1.00 0.80 C ATOM 2153 CD GLN A 138 -20.659 9.823 -3.048 1.00 1.08 C ATOM 2154 OE1 GLN A 138 -19.741 10.379 -3.642 1.00 1.75 O ATOM 2155 NE2 GLN A 138 -21.577 10.496 -2.377 1.00 1.60 N ATOM 0 H GLN A 138 -23.248 6.533 -2.792 1.00 0.80 H new ATOM 0 HA GLN A 138 -23.200 9.241 -3.873 1.00 0.89 H new ATOM 0 HB2 GLN A 138 -21.523 6.738 -4.307 1.00 0.87 H new ATOM 0 HB3 GLN A 138 -21.241 8.249 -5.148 1.00 0.87 H new ATOM 0 HG2 GLN A 138 -21.251 7.985 -2.125 1.00 0.80 H new ATOM 0 HG3 GLN A 138 -19.804 7.861 -3.106 1.00 0.80 H new ATOM 0 HE21 GLN A 138 -22.325 9.997 -1.896 1.00 1.60 H new ATOM 0 HE22 GLN A 138 -21.537 11.515 -2.340 1.00 1.60 H new ATOM 2164 N GLU A 139 -24.700 6.884 -5.367 1.00 1.14 N ATOM 2165 CA GLU A 139 -25.514 6.583 -6.533 1.00 1.35 C ATOM 2166 C GLU A 139 -26.999 6.657 -6.187 1.00 1.86 C ATOM 2167 O GLU A 139 -27.647 7.645 -6.587 1.00 2.30 O ATOM 2168 CB GLU A 139 -25.140 5.219 -7.129 1.00 1.47 C ATOM 2169 CG GLU A 139 -25.147 4.065 -6.139 1.00 1.46 C ATOM 2170 CD GLU A 139 -24.644 2.776 -6.753 1.00 2.03 C ATOM 2171 OE1 GLU A 139 -25.408 2.121 -7.491 1.00 1.94 O ATOM 2172 OE2 GLU A 139 -23.475 2.412 -6.506 1.00 2.99 O ATOM 2173 OXT GLU A 139 -27.509 5.754 -5.496 1.00 2.51 O ATOM 0 H GLU A 139 -24.854 6.268 -4.569 1.00 1.14 H new ATOM 0 HA GLU A 139 -25.313 7.336 -7.295 1.00 1.35 H new ATOM 0 HB2 GLU A 139 -25.834 4.989 -7.938 1.00 1.47 H new ATOM 0 HB3 GLU A 139 -24.147 5.292 -7.572 1.00 1.47 H new ATOM 0 HG2 GLU A 139 -24.526 4.322 -5.281 1.00 1.46 H new ATOM 0 HG3 GLU A 139 -26.160 3.916 -5.766 1.00 1.46 H new TER 2180 GLU A 139