USER MOD reduce.3.24.130724 H: found=0, std=0, add=1082, rem=0, adj=38 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= -1.66! K(o=-1.1!,f=-0.46) USER MOD Set 1.2: A 112 TYR OH : rot -177:sc= 0.538 USER MOD Set 2.1: A 67 CYS SG : rot -114:sc= -1.82 USER MOD Set 2.2: A 71 CYS SG : rot 92:sc= -0.0765 USER MOD Set 2.3: A 98 SER OG : rot 71:sc= 2.05 USER MOD Set 3.1: A 22 ASN : amide:sc= -1.75 K(o=-2.2,f=-3.5!) USER MOD Set 3.2: A 37 TYR OH : rot -130:sc= -0.713 USER MOD Set 3.3: A 52 THR OG1 : rot 180:sc= 0 USER MOD Set 3.4: A 53 ASN : amide:sc= 0.222 K(o=-2.2,f=-3.1) USER MOD Set 4.1: A 11 LYS NZ :NH3+ -170:sc= -0.224 (180deg=-0.439) USER MOD Set 4.2: A 46 THR OG1 : rot 18:sc= 1.32 USER MOD Single : A 10 ASN : amide:sc= -0.838 K(o=-0.84,f=0) USER MOD Single : A 12 LYS NZ :NH3+ -148:sc= -1.68! (180deg=-3.17!) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 16 LYS NZ :NH3+ 170:sc= 0.423 (180deg=0.0999) USER MOD Single : A 18 LYS NZ :NH3+ -97:sc= 1.25 (180deg=-0.68) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00385) USER MOD Single : A 27 LYS NZ :NH3+ -173:sc=-0.00719 (180deg=-0.0814) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 88:sc= 1.2 USER MOD Single : A 35 LYS NZ :NH3+ 173:sc= 1.25 (180deg=1.15) USER MOD Single : A 36 HIS : no HE2:sc= -0.77 K(o=-0.77,f=-3.3!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 ASN : amide:sc= -2.17! K(o=-2.2!,f=-0.62) USER MOD Single : A 48 MET CE :methyl -139:sc= -8.04! (180deg=-9.35!) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -10.2! C(o=-10!,f=-9!) USER MOD Single : A 58 TYR OH : rot 180:sc=-0.00521 USER MOD Single : A 61 LYS NZ :NH3+ 156:sc= 0.952 (180deg=-0.865!) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= 0.883 K(o=0.88,f=-4.3!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 179:sc= 1.25 (180deg=1.19) USER MOD Single : A 81 ASN : amide:sc= -0.0459 X(o=-0.046,f=-0.26) USER MOD Single : A 85 TYR OH : rot 180:sc= 0.0659 USER MOD Single : A 87 GLN : amide:sc= -0.522 X(o=-0.52,f=-0.14) USER MOD Single : A 90 LYS NZ :NH3+ -171:sc= -0.0136 (180deg=-0.103) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot 15:sc= -2.02! USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 TYR OH : rot 44:sc= 0.15 USER MOD Single : A 106 LYS NZ :NH3+ -137:sc= -0.0193 (180deg=-0.23) USER MOD Single : A 110 HIS : no HE2:sc= -0.069 K(o=-0.069,f=-0.91) 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 122:sc= -0.771 USER MOD Single : A 119 HIS : no HD1:sc= -1.64 K(o=-1.6,f=-3.1!) USER MOD Single : A 121 THR OG1 : rot 180:sc= -0.413 USER MOD Single : A 126 LYS NZ :NH3+ -170:sc= -0.0237 (180deg=-0.208) USER MOD Single : A 127 LYS NZ :NH3+ -170:sc= 1.28 (180deg=1.21) USER MOD Single : A 128 CYS SG : rot 180:sc= -3.07! USER MOD Single : A 129 GLN : amide:sc= -1.25 K(o=-1.3,f=-0.016) USER MOD Single : A 130 GLN : amide:sc= -1.39 X(o=-1.4,f=-1.2) USER MOD Single : A 133 LYS NZ :NH3+ -167:sc= -0.0232 (180deg=-0.196) USER MOD Single : A 136 LYS NZ :NH3+ -157:sc= -1.34 (180deg=-2.83!) USER MOD Single : A 138 GLN : amide:sc= -0.0295 K(o=-0.03,f=-0.94) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 9 24.749 -7.354 1.833 1.00 1.26 N ATOM 2 CA GLU A 9 24.561 -6.760 0.494 1.00 1.05 C ATOM 3 C GLU A 9 23.458 -5.702 0.546 1.00 0.90 C ATOM 4 O GLU A 9 23.177 -5.158 1.617 1.00 0.98 O ATOM 5 CB GLU A 9 24.236 -7.849 -0.532 1.00 1.37 C ATOM 6 CG GLU A 9 24.657 -7.488 -1.948 1.00 2.20 C ATOM 7 CD GLU A 9 26.100 -7.038 -2.012 1.00 2.80 C ATOM 8 OE1 GLU A 9 26.989 -7.899 -2.155 1.00 3.26 O ATOM 9 OE2 GLU A 9 26.353 -5.821 -1.901 1.00 3.20 O ATOM 0 HA GLU A 9 25.487 -6.276 0.183 1.00 1.05 H new ATOM 0 HB2 GLU A 9 24.731 -8.774 -0.238 1.00 1.37 H new ATOM 0 HB3 GLU A 9 23.164 -8.043 -0.518 1.00 1.37 H new ATOM 0 HG2 GLU A 9 24.517 -8.351 -2.599 1.00 2.20 H new ATOM 0 HG3 GLU A 9 24.013 -6.695 -2.327 1.00 2.20 H new ATOM 18 N ASN A 10 22.820 -5.428 -0.587 1.00 0.79 N ATOM 19 CA ASN A 10 21.893 -4.309 -0.690 1.00 0.66 C ATOM 20 C ASN A 10 20.658 -4.506 0.181 1.00 0.59 C ATOM 21 O ASN A 10 20.093 -3.534 0.656 1.00 0.53 O ATOM 22 CB ASN A 10 21.464 -4.074 -2.143 1.00 0.62 C ATOM 23 CG ASN A 10 22.613 -3.727 -3.071 1.00 1.14 C ATOM 24 OD1 ASN A 10 22.577 -4.049 -4.256 1.00 1.94 O ATOM 25 ND2 ASN A 10 23.635 -3.061 -2.552 1.00 1.45 N ATOM 0 H ASN A 10 22.929 -5.966 -1.447 1.00 0.79 H new ATOM 0 HA ASN A 10 22.429 -3.431 -0.329 1.00 0.66 H new ATOM 0 HB2 ASN A 10 20.966 -4.970 -2.515 1.00 0.62 H new ATOM 0 HB3 ASN A 10 20.731 -3.268 -2.170 1.00 0.62 H new ATOM 0 HD21 ASN A 10 24.425 -2.799 -3.141 1.00 1.45 H new ATOM 0 HD22 ASN A 10 23.631 -2.810 -1.563 1.00 1.45 H new ATOM 32 N LYS A 11 20.244 -5.754 0.402 1.00 0.63 N ATOM 33 CA LYS A 11 19.027 -6.026 1.180 1.00 0.62 C ATOM 34 C LYS A 11 19.089 -5.397 2.568 1.00 0.62 C ATOM 35 O LYS A 11 18.121 -4.786 3.026 1.00 0.58 O ATOM 36 CB LYS A 11 18.777 -7.527 1.318 1.00 0.71 C ATOM 37 CG LYS A 11 18.510 -8.223 0.001 1.00 0.79 C ATOM 38 CD LYS A 11 17.983 -9.631 0.217 1.00 1.12 C ATOM 39 CE LYS A 11 17.681 -10.314 -1.104 1.00 1.50 C ATOM 40 NZ LYS A 11 16.739 -9.520 -1.937 1.00 2.19 N ATOM 0 H LYS A 11 20.724 -6.586 0.059 1.00 0.63 H new ATOM 0 HA LYS A 11 18.202 -5.575 0.629 1.00 0.62 H new ATOM 0 HB2 LYS A 11 19.643 -7.988 1.794 1.00 0.71 H new ATOM 0 HB3 LYS A 11 17.927 -7.685 1.981 1.00 0.71 H new ATOM 0 HG2 LYS A 11 17.788 -7.647 -0.577 1.00 0.79 H new ATOM 0 HG3 LYS A 11 19.428 -8.262 -0.585 1.00 0.79 H new ATOM 0 HD2 LYS A 11 18.717 -10.215 0.772 1.00 1.12 H new ATOM 0 HD3 LYS A 11 17.079 -9.594 0.825 1.00 1.12 H new ATOM 0 HE2 LYS A 11 18.610 -10.468 -1.653 1.00 1.50 H new ATOM 0 HE3 LYS A 11 17.255 -11.299 -0.914 1.00 1.50 H new ATOM 0 HZ1 LYS A 11 16.426 -10.091 -2.748 1.00 2.19 H new ATOM 0 HZ2 LYS A 11 15.913 -9.250 -1.365 1.00 2.19 H new ATOM 0 HZ3 LYS A 11 17.217 -8.663 -2.281 1.00 2.19 H new ATOM 54 N LYS A 12 20.228 -5.540 3.233 1.00 0.70 N ATOM 55 CA LYS A 12 20.403 -4.972 4.564 1.00 0.74 C ATOM 56 C LYS A 12 20.410 -3.451 4.495 1.00 0.66 C ATOM 57 O LYS A 12 19.769 -2.774 5.304 1.00 0.63 O ATOM 58 CB LYS A 12 21.696 -5.478 5.197 1.00 0.90 C ATOM 59 CG LYS A 12 21.711 -6.983 5.414 1.00 1.54 C ATOM 60 CD LYS A 12 22.984 -7.447 6.107 1.00 2.02 C ATOM 61 CE LYS A 12 22.938 -7.242 7.619 1.00 2.38 C ATOM 62 NZ LYS A 12 22.910 -5.808 8.014 1.00 2.83 N ATOM 0 H LYS A 12 21.041 -6.042 2.875 1.00 0.70 H new ATOM 0 HA LYS A 12 19.566 -5.290 5.186 1.00 0.74 H new ATOM 0 HB2 LYS A 12 22.536 -5.201 4.560 1.00 0.90 H new ATOM 0 HB3 LYS A 12 21.843 -4.978 6.154 1.00 0.90 H new ATOM 0 HG2 LYS A 12 20.847 -7.272 6.012 1.00 1.54 H new ATOM 0 HG3 LYS A 12 21.617 -7.489 4.453 1.00 1.54 H new ATOM 0 HD2 LYS A 12 23.146 -8.503 5.892 1.00 2.02 H new ATOM 0 HD3 LYS A 12 23.835 -6.904 5.696 1.00 2.02 H new ATOM 0 HE2 LYS A 12 22.056 -7.740 8.020 1.00 2.38 H new ATOM 0 HE3 LYS A 12 23.807 -7.720 8.071 1.00 2.38 H new ATOM 0 HZ1 LYS A 12 23.402 -5.688 8.922 1.00 2.83 H new ATOM 0 HZ2 LYS A 12 23.385 -5.238 7.285 1.00 2.83 H new ATOM 0 HZ3 LYS A 12 21.923 -5.494 8.111 1.00 2.83 H new ATOM 76 N GLN A 13 21.128 -2.923 3.514 1.00 0.64 N ATOM 77 CA GLN A 13 21.187 -1.495 3.280 1.00 0.59 C ATOM 78 C GLN A 13 19.799 -0.957 2.926 1.00 0.50 C ATOM 79 O GLN A 13 19.451 0.172 3.268 1.00 0.49 O ATOM 80 CB GLN A 13 22.169 -1.220 2.146 1.00 0.62 C ATOM 81 CG GLN A 13 22.811 0.146 2.214 1.00 0.90 C ATOM 82 CD GLN A 13 23.669 0.442 0.999 1.00 1.51 C ATOM 83 OE1 GLN A 13 24.230 -0.466 0.381 1.00 2.07 O ATOM 84 NE2 GLN A 13 23.779 1.711 0.647 1.00 2.26 N ATOM 0 H GLN A 13 21.684 -3.475 2.861 1.00 0.64 H new ATOM 0 HA GLN A 13 21.525 -0.990 4.185 1.00 0.59 H new ATOM 0 HB2 GLN A 13 22.950 -1.980 2.162 1.00 0.62 H new ATOM 0 HB3 GLN A 13 21.648 -1.319 1.194 1.00 0.62 H new ATOM 0 HG2 GLN A 13 22.034 0.906 2.301 1.00 0.90 H new ATOM 0 HG3 GLN A 13 23.424 0.212 3.113 1.00 0.90 H new ATOM 0 HE21 GLN A 13 23.299 2.433 1.185 1.00 2.26 H new ATOM 0 HE22 GLN A 13 24.344 1.969 -0.162 1.00 2.26 H new ATOM 93 N ALA A 14 19.016 -1.788 2.242 1.00 0.46 N ATOM 94 CA ALA A 14 17.660 -1.439 1.834 1.00 0.38 C ATOM 95 C ALA A 14 16.782 -1.193 3.044 1.00 0.39 C ATOM 96 O ALA A 14 15.916 -0.322 3.029 1.00 0.36 O ATOM 97 CB ALA A 14 17.062 -2.543 0.975 1.00 0.36 C ATOM 0 H ALA A 14 19.305 -2.723 1.955 1.00 0.46 H new ATOM 0 HA ALA A 14 17.709 -0.522 1.247 1.00 0.38 H new ATOM 0 HB1 ALA A 14 16.050 -2.266 0.679 1.00 0.36 H new ATOM 0 HB2 ALA A 14 17.675 -2.683 0.084 1.00 0.36 H new ATOM 0 HB3 ALA A 14 17.032 -3.472 1.545 1.00 0.36 H new ATOM 103 N LEU A 15 17.009 -1.968 4.093 1.00 0.45 N ATOM 104 CA LEU A 15 16.265 -1.799 5.328 1.00 0.47 C ATOM 105 C LEU A 15 16.567 -0.418 5.896 1.00 0.49 C ATOM 106 O LEU A 15 15.674 0.275 6.369 1.00 0.49 O ATOM 107 CB LEU A 15 16.631 -2.915 6.322 1.00 0.54 C ATOM 108 CG LEU A 15 15.696 -3.103 7.533 1.00 1.13 C ATOM 109 CD1 LEU A 15 15.939 -2.044 8.596 1.00 1.98 C ATOM 110 CD2 LEU A 15 14.239 -3.087 7.099 1.00 1.31 C ATOM 0 H LEU A 15 17.701 -2.718 4.113 1.00 0.45 H new ATOM 0 HA LEU A 15 15.194 -1.872 5.138 1.00 0.47 H new ATOM 0 HB2 LEU A 15 16.672 -3.857 5.775 1.00 0.54 H new ATOM 0 HB3 LEU A 15 17.636 -2.720 6.696 1.00 0.54 H new ATOM 0 HG LEU A 15 15.921 -4.076 7.969 1.00 1.13 H new ATOM 0 HD11 LEU A 15 15.262 -2.208 9.434 1.00 1.98 H new ATOM 0 HD12 LEU A 15 16.970 -2.108 8.944 1.00 1.98 H new ATOM 0 HD13 LEU A 15 15.759 -1.056 8.173 1.00 1.98 H new ATOM 0 HD21 LEU A 15 13.598 -3.221 7.970 1.00 1.31 H new ATOM 0 HD22 LEU A 15 14.011 -2.132 6.625 1.00 1.31 H new ATOM 0 HD23 LEU A 15 14.062 -3.896 6.390 1.00 1.31 H new ATOM 122 N LYS A 16 17.828 -0.010 5.796 1.00 0.51 N ATOM 123 CA LYS A 16 18.249 1.303 6.264 1.00 0.54 C ATOM 124 C LYS A 16 17.626 2.393 5.391 1.00 0.48 C ATOM 125 O LYS A 16 17.232 3.448 5.884 1.00 0.49 O ATOM 126 CB LYS A 16 19.783 1.399 6.252 1.00 0.62 C ATOM 127 CG LYS A 16 20.353 2.515 7.124 1.00 0.79 C ATOM 128 CD LYS A 16 20.307 3.882 6.451 1.00 1.64 C ATOM 129 CE LYS A 16 21.550 4.163 5.611 1.00 1.89 C ATOM 130 NZ LYS A 16 21.625 3.323 4.386 1.00 2.88 N ATOM 0 H LYS A 16 18.577 -0.573 5.393 1.00 0.51 H new ATOM 0 HA LYS A 16 17.906 1.447 7.289 1.00 0.54 H new ATOM 0 HB2 LYS A 16 20.197 0.447 6.585 1.00 0.62 H new ATOM 0 HB3 LYS A 16 20.117 1.550 5.226 1.00 0.62 H new ATOM 0 HG2 LYS A 16 19.795 2.558 8.059 1.00 0.79 H new ATOM 0 HG3 LYS A 16 21.386 2.277 7.380 1.00 0.79 H new ATOM 0 HD2 LYS A 16 19.423 3.941 5.816 1.00 1.64 H new ATOM 0 HD3 LYS A 16 20.205 4.655 7.213 1.00 1.64 H new ATOM 0 HE2 LYS A 16 21.558 5.215 5.325 1.00 1.89 H new ATOM 0 HE3 LYS A 16 22.439 3.991 6.218 1.00 1.89 H new ATOM 0 HZ1 LYS A 16 22.390 3.670 3.773 1.00 2.88 H new ATOM 0 HZ2 LYS A 16 21.816 2.336 4.653 1.00 2.88 H new ATOM 0 HZ3 LYS A 16 20.721 3.375 3.874 1.00 2.88 H new ATOM 144 N GLU A 17 17.529 2.126 4.093 1.00 0.42 N ATOM 145 CA GLU A 17 16.899 3.059 3.167 1.00 0.38 C ATOM 146 C GLU A 17 15.402 3.170 3.443 1.00 0.35 C ATOM 147 O GLU A 17 14.824 4.250 3.320 1.00 0.34 O ATOM 148 CB GLU A 17 17.164 2.652 1.712 1.00 0.35 C ATOM 149 CG GLU A 17 18.585 2.930 1.263 1.00 0.39 C ATOM 150 CD GLU A 17 19.083 4.285 1.735 1.00 0.42 C ATOM 151 OE1 GLU A 17 18.595 5.310 1.216 1.00 0.39 O ATOM 152 OE2 GLU A 17 19.960 4.333 2.626 1.00 0.54 O ATOM 0 H GLU A 17 17.878 1.272 3.659 1.00 0.42 H new ATOM 0 HA GLU A 17 17.343 4.042 3.323 1.00 0.38 H new ATOM 0 HB2 GLU A 17 16.954 1.589 1.595 1.00 0.35 H new ATOM 0 HB3 GLU A 17 16.473 3.187 1.060 1.00 0.35 H new ATOM 0 HG2 GLU A 17 19.244 2.150 1.645 1.00 0.39 H new ATOM 0 HG3 GLU A 17 18.635 2.885 0.175 1.00 0.39 H new ATOM 159 N LYS A 18 14.776 2.066 3.842 1.00 0.34 N ATOM 160 CA LYS A 18 13.375 2.106 4.240 1.00 0.34 C ATOM 161 C LYS A 18 13.226 2.950 5.501 1.00 0.40 C ATOM 162 O LYS A 18 12.272 3.711 5.637 1.00 0.41 O ATOM 163 CB LYS A 18 12.805 0.701 4.486 1.00 0.34 C ATOM 164 CG LYS A 18 11.294 0.703 4.707 1.00 0.33 C ATOM 165 CD LYS A 18 10.750 -0.662 5.114 1.00 0.36 C ATOM 166 CE LYS A 18 11.250 -1.102 6.483 1.00 0.50 C ATOM 167 NZ LYS A 18 10.761 -0.216 7.569 1.00 0.80 N ATOM 0 H LYS A 18 15.211 1.145 3.898 1.00 0.34 H new ATOM 0 HA LYS A 18 12.810 2.552 3.421 1.00 0.34 H new ATOM 0 HB2 LYS A 18 13.042 0.064 3.634 1.00 0.34 H new ATOM 0 HB3 LYS A 18 13.294 0.263 5.356 1.00 0.34 H new ATOM 0 HG2 LYS A 18 11.046 1.432 5.479 1.00 0.33 H new ATOM 0 HG3 LYS A 18 10.799 1.027 3.792 1.00 0.33 H new ATOM 0 HD2 LYS A 18 9.661 -0.628 5.122 1.00 0.36 H new ATOM 0 HD3 LYS A 18 11.041 -1.403 4.369 1.00 0.36 H new ATOM 0 HE2 LYS A 18 10.924 -2.124 6.676 1.00 0.50 H new ATOM 0 HE3 LYS A 18 12.340 -1.109 6.485 1.00 0.50 H new ATOM 0 HZ1 LYS A 18 11.491 0.489 7.797 1.00 0.80 H new ATOM 0 HZ2 LYS A 18 9.896 0.270 7.257 1.00 0.80 H new ATOM 0 HZ3 LYS A 18 10.553 -0.785 8.414 1.00 0.80 H new ATOM 181 N GLU A 19 14.187 2.820 6.411 1.00 0.46 N ATOM 182 CA GLU A 19 14.187 3.600 7.644 1.00 0.52 C ATOM 183 C GLU A 19 14.382 5.075 7.347 1.00 0.50 C ATOM 184 O GLU A 19 13.688 5.915 7.905 1.00 0.53 O ATOM 185 CB GLU A 19 15.281 3.118 8.597 1.00 0.58 C ATOM 186 CG GLU A 19 15.170 1.646 8.953 1.00 0.63 C ATOM 187 CD GLU A 19 13.798 1.274 9.472 1.00 1.32 C ATOM 188 OE1 GLU A 19 12.892 1.032 8.651 1.00 2.32 O ATOM 189 OE2 GLU A 19 13.617 1.215 10.705 1.00 1.29 O ATOM 0 H GLU A 19 14.976 2.181 6.317 1.00 0.46 H new ATOM 0 HA GLU A 19 13.218 3.460 8.123 1.00 0.52 H new ATOM 0 HB2 GLU A 19 16.254 3.301 8.142 1.00 0.58 H new ATOM 0 HB3 GLU A 19 15.241 3.709 9.512 1.00 0.58 H new ATOM 0 HG2 GLU A 19 15.396 1.045 8.072 1.00 0.63 H new ATOM 0 HG3 GLU A 19 15.918 1.401 9.707 1.00 0.63 H new ATOM 196 N LEU A 20 15.327 5.380 6.470 1.00 0.47 N ATOM 197 CA LEU A 20 15.586 6.756 6.065 1.00 0.46 C ATOM 198 C LEU A 20 14.371 7.350 5.369 1.00 0.43 C ATOM 199 O LEU A 20 14.013 8.508 5.602 1.00 0.45 O ATOM 200 CB LEU A 20 16.805 6.812 5.142 1.00 0.45 C ATOM 201 CG LEU A 20 18.077 7.386 5.768 1.00 0.53 C ATOM 202 CD1 LEU A 20 17.917 8.874 6.003 1.00 0.58 C ATOM 203 CD2 LEU A 20 18.402 6.679 7.074 1.00 0.60 C ATOM 0 H LEU A 20 15.931 4.690 6.023 1.00 0.47 H new ATOM 0 HA LEU A 20 15.791 7.346 6.958 1.00 0.46 H new ATOM 0 HB2 LEU A 20 17.018 5.803 4.788 1.00 0.45 H new ATOM 0 HB3 LEU A 20 16.550 7.410 4.267 1.00 0.45 H new ATOM 0 HG LEU A 20 18.904 7.224 5.077 1.00 0.53 H new ATOM 0 HD11 LEU A 20 18.828 9.272 6.449 1.00 0.58 H new ATOM 0 HD12 LEU A 20 17.729 9.374 5.053 1.00 0.58 H new ATOM 0 HD13 LEU A 20 17.078 9.048 6.676 1.00 0.58 H new ATOM 0 HD21 LEU A 20 19.310 7.104 7.501 1.00 0.60 H new ATOM 0 HD22 LEU A 20 17.576 6.810 7.774 1.00 0.60 H new ATOM 0 HD23 LEU A 20 18.553 5.616 6.885 1.00 0.60 H new ATOM 215 N GLY A 21 13.750 6.552 4.511 1.00 0.39 N ATOM 216 CA GLY A 21 12.517 6.957 3.870 1.00 0.37 C ATOM 217 C GLY A 21 11.426 7.207 4.883 1.00 0.40 C ATOM 218 O GLY A 21 10.901 8.310 4.970 1.00 0.41 O ATOM 0 H GLY A 21 14.082 5.625 4.247 1.00 0.39 H new ATOM 0 HA2 GLY A 21 12.688 7.862 3.287 1.00 0.37 H new ATOM 0 HA3 GLY A 21 12.197 6.184 3.172 1.00 0.37 H new ATOM 222 N ASN A 22 11.115 6.190 5.673 1.00 0.43 N ATOM 223 CA ASN A 22 10.078 6.295 6.699 1.00 0.47 C ATOM 224 C ASN A 22 10.370 7.444 7.662 1.00 0.53 C ATOM 225 O ASN A 22 9.465 8.141 8.109 1.00 0.56 O ATOM 226 CB ASN A 22 9.975 4.987 7.487 1.00 0.52 C ATOM 227 CG ASN A 22 8.734 4.929 8.360 1.00 0.59 C ATOM 228 OD1 ASN A 22 7.693 5.499 8.027 1.00 1.27 O ATOM 229 ND2 ASN A 22 8.836 4.238 9.482 1.00 1.23 N ATOM 0 H ASN A 22 11.566 5.277 5.626 1.00 0.43 H new ATOM 0 HA ASN A 22 9.132 6.493 6.195 1.00 0.47 H new ATOM 0 HB2 ASN A 22 9.965 4.148 6.792 1.00 0.52 H new ATOM 0 HB3 ASN A 22 10.861 4.873 8.112 1.00 0.52 H new ATOM 0 HD21 ASN A 22 8.035 4.162 10.109 1.00 1.23 H new ATOM 0 HD22 ASN A 22 9.716 3.781 9.721 1.00 1.23 H new ATOM 236 N ASP A 23 11.641 7.637 7.973 1.00 0.54 N ATOM 237 CA ASP A 23 12.068 8.720 8.854 1.00 0.59 C ATOM 238 C ASP A 23 11.655 10.072 8.286 1.00 0.58 C ATOM 239 O ASP A 23 11.075 10.905 8.986 1.00 0.62 O ATOM 240 CB ASP A 23 13.582 8.680 9.034 1.00 0.61 C ATOM 241 CG ASP A 23 14.083 9.737 9.993 1.00 0.74 C ATOM 242 OD1 ASP A 23 13.697 9.705 11.183 1.00 0.93 O ATOM 243 OD2 ASP A 23 14.875 10.604 9.565 1.00 0.79 O ATOM 0 H ASP A 23 12.403 7.054 7.627 1.00 0.54 H new ATOM 0 HA ASP A 23 11.584 8.585 9.821 1.00 0.59 H new ATOM 0 HB2 ASP A 23 13.875 7.696 9.399 1.00 0.61 H new ATOM 0 HB3 ASP A 23 14.063 8.817 8.065 1.00 0.61 H new ATOM 248 N ALA A 24 11.947 10.273 7.009 1.00 0.53 N ATOM 249 CA ALA A 24 11.554 11.487 6.305 1.00 0.53 C ATOM 250 C ALA A 24 10.038 11.536 6.153 1.00 0.53 C ATOM 251 O ALA A 24 9.431 12.605 6.142 1.00 0.58 O ATOM 252 CB ALA A 24 12.240 11.536 4.950 1.00 0.49 C ATOM 0 H ALA A 24 12.460 9.604 6.434 1.00 0.53 H new ATOM 0 HA ALA A 24 11.864 12.359 6.881 1.00 0.53 H new ATOM 0 HB1 ALA A 24 11.945 12.445 4.425 1.00 0.49 H new ATOM 0 HB2 ALA A 24 13.321 11.532 5.089 1.00 0.49 H new ATOM 0 HB3 ALA A 24 11.947 10.666 4.362 1.00 0.49 H new ATOM 258 N TYR A 25 9.445 10.356 6.055 1.00 0.48 N ATOM 259 CA TYR A 25 8.000 10.193 5.964 1.00 0.49 C ATOM 260 C TYR A 25 7.323 10.731 7.225 1.00 0.59 C ATOM 261 O TYR A 25 6.260 11.352 7.159 1.00 0.63 O ATOM 262 CB TYR A 25 7.694 8.705 5.775 1.00 0.46 C ATOM 263 CG TYR A 25 6.258 8.367 5.470 1.00 0.48 C ATOM 264 CD1 TYR A 25 5.783 8.359 4.167 1.00 0.40 C ATOM 265 CD2 TYR A 25 5.369 8.090 6.495 1.00 0.64 C ATOM 266 CE1 TYR A 25 4.461 8.077 3.896 1.00 0.45 C ATOM 267 CE2 TYR A 25 4.044 7.811 6.236 1.00 0.68 C ATOM 268 CZ TYR A 25 3.633 7.682 4.885 1.00 0.54 C ATOM 269 OH TYR A 25 2.272 7.534 4.664 1.00 0.63 O ATOM 0 H TYR A 25 9.958 9.475 6.036 1.00 0.48 H new ATOM 0 HA TYR A 25 7.612 10.757 5.116 1.00 0.49 H new ATOM 0 HB2 TYR A 25 8.317 8.325 4.966 1.00 0.46 H new ATOM 0 HB3 TYR A 25 7.988 8.174 6.680 1.00 0.46 H new ATOM 0 HD1 TYR A 25 6.458 8.577 3.353 1.00 0.40 H new ATOM 0 HD2 TYR A 25 5.720 8.093 7.516 1.00 0.64 H new ATOM 0 HE1 TYR A 25 4.087 8.173 2.887 1.00 0.45 H new ATOM 0 HE2 TYR A 25 3.336 7.693 7.043 1.00 0.68 H new ATOM 0 HH TYR A 25 1.836 7.242 5.492 1.00 0.63 H new ATOM 279 N LYS A 26 7.953 10.499 8.371 1.00 0.65 N ATOM 280 CA LYS A 26 7.467 11.024 9.645 1.00 0.77 C ATOM 281 C LYS A 26 7.568 12.545 9.679 1.00 0.81 C ATOM 282 O LYS A 26 6.802 13.214 10.369 1.00 0.94 O ATOM 283 CB LYS A 26 8.255 10.430 10.815 1.00 0.82 C ATOM 284 CG LYS A 26 7.659 9.154 11.395 1.00 0.86 C ATOM 285 CD LYS A 26 7.570 8.041 10.368 1.00 1.03 C ATOM 286 CE LYS A 26 7.215 6.712 11.012 1.00 0.90 C ATOM 287 NZ LYS A 26 5.867 6.730 11.634 1.00 1.62 N ATOM 0 H LYS A 26 8.808 9.947 8.445 1.00 0.65 H new ATOM 0 HA LYS A 26 6.420 10.737 9.743 1.00 0.77 H new ATOM 0 HB2 LYS A 26 9.272 10.223 10.483 1.00 0.82 H new ATOM 0 HB3 LYS A 26 8.324 11.176 11.606 1.00 0.82 H new ATOM 0 HG2 LYS A 26 8.267 8.821 12.236 1.00 0.86 H new ATOM 0 HG3 LYS A 26 6.664 9.365 11.785 1.00 0.86 H new ATOM 0 HD2 LYS A 26 6.819 8.295 9.620 1.00 1.03 H new ATOM 0 HD3 LYS A 26 8.523 7.950 9.846 1.00 1.03 H new ATOM 0 HE2 LYS A 26 7.255 5.924 10.260 1.00 0.90 H new ATOM 0 HE3 LYS A 26 7.959 6.468 11.770 1.00 0.90 H new ATOM 0 HZ1 LYS A 26 5.655 5.792 12.031 1.00 1.62 H new ATOM 0 HZ2 LYS A 26 5.845 7.440 12.393 1.00 1.62 H new ATOM 0 HZ3 LYS A 26 5.156 6.970 10.914 1.00 1.62 H new ATOM 301 N LYS A 27 8.515 13.083 8.924 1.00 0.75 N ATOM 302 CA LYS A 27 8.710 14.524 8.848 1.00 0.80 C ATOM 303 C LYS A 27 7.813 15.121 7.770 1.00 0.79 C ATOM 304 O LYS A 27 7.840 16.326 7.522 1.00 0.84 O ATOM 305 CB LYS A 27 10.171 14.850 8.525 1.00 0.80 C ATOM 306 CG LYS A 27 11.177 14.180 9.446 1.00 1.16 C ATOM 307 CD LYS A 27 12.603 14.467 8.999 1.00 1.58 C ATOM 308 CE LYS A 27 13.628 13.733 9.851 1.00 1.93 C ATOM 309 NZ LYS A 27 13.563 14.134 11.281 1.00 2.31 N ATOM 0 H LYS A 27 9.163 12.541 8.353 1.00 0.75 H new ATOM 0 HA LYS A 27 8.451 14.954 9.816 1.00 0.80 H new ATOM 0 HB2 LYS A 27 10.380 14.551 7.498 1.00 0.80 H new ATOM 0 HB3 LYS A 27 10.311 15.930 8.577 1.00 0.80 H new ATOM 0 HG2 LYS A 27 11.034 14.535 10.466 1.00 1.16 H new ATOM 0 HG3 LYS A 27 11.005 13.104 9.456 1.00 1.16 H new ATOM 0 HD2 LYS A 27 12.722 14.173 7.956 1.00 1.58 H new ATOM 0 HD3 LYS A 27 12.790 15.540 9.051 1.00 1.58 H new ATOM 0 HE2 LYS A 27 13.463 12.659 9.769 1.00 1.93 H new ATOM 0 HE3 LYS A 27 14.628 13.932 9.465 1.00 1.93 H new ATOM 0 HZ1 LYS A 27 14.353 13.700 11.800 1.00 2.31 H new ATOM 0 HZ2 LYS A 27 13.628 15.169 11.355 1.00 2.31 H new ATOM 0 HZ3 LYS A 27 12.662 13.814 11.691 1.00 2.31 H new ATOM 323 N LYS A 28 7.020 14.253 7.137 1.00 0.77 N ATOM 324 CA LYS A 28 6.177 14.625 6.003 1.00 0.80 C ATOM 325 C LYS A 28 7.013 15.169 4.853 1.00 0.71 C ATOM 326 O LYS A 28 6.528 15.931 4.013 1.00 0.75 O ATOM 327 CB LYS A 28 5.109 15.623 6.424 1.00 0.96 C ATOM 328 CG LYS A 28 4.160 15.063 7.467 1.00 1.07 C ATOM 329 CD LYS A 28 3.239 16.133 8.013 1.00 1.24 C ATOM 330 CE LYS A 28 2.243 15.558 9.004 1.00 1.77 C ATOM 331 NZ LYS A 28 1.340 16.602 9.548 1.00 2.39 N ATOM 0 H LYS A 28 6.946 13.270 7.399 1.00 0.77 H new ATOM 0 HA LYS A 28 5.674 13.725 5.650 1.00 0.80 H new ATOM 0 HB2 LYS A 28 5.590 16.518 6.820 1.00 0.96 H new ATOM 0 HB3 LYS A 28 4.538 15.929 5.547 1.00 0.96 H new ATOM 0 HG2 LYS A 28 3.567 14.261 7.027 1.00 1.07 H new ATOM 0 HG3 LYS A 28 4.733 14.624 8.284 1.00 1.07 H new ATOM 0 HD2 LYS A 28 3.830 16.910 8.499 1.00 1.24 H new ATOM 0 HD3 LYS A 28 2.703 16.607 7.191 1.00 1.24 H new ATOM 0 HE2 LYS A 28 1.651 14.784 8.516 1.00 1.77 H new ATOM 0 HE3 LYS A 28 2.780 15.080 9.823 1.00 1.77 H new ATOM 0 HZ1 LYS A 28 0.675 16.170 10.221 1.00 2.39 H new ATOM 0 HZ2 LYS A 28 1.903 17.328 10.036 1.00 2.39 H new ATOM 0 HZ3 LYS A 28 0.808 17.041 8.769 1.00 2.39 H new ATOM 345 N ASP A 29 8.273 14.758 4.818 1.00 0.64 N ATOM 346 CA ASP A 29 9.146 15.042 3.694 1.00 0.59 C ATOM 347 C ASP A 29 8.918 13.943 2.668 1.00 0.50 C ATOM 348 O ASP A 29 9.798 13.124 2.397 1.00 0.47 O ATOM 349 CB ASP A 29 10.607 15.068 4.145 1.00 0.60 C ATOM 350 CG ASP A 29 11.495 15.861 3.207 1.00 0.93 C ATOM 351 OD1 ASP A 29 11.127 16.015 2.023 1.00 1.62 O ATOM 352 OD2 ASP A 29 12.559 16.348 3.645 1.00 1.39 O ATOM 0 H ASP A 29 8.714 14.221 5.565 1.00 0.64 H new ATOM 0 HA ASP A 29 8.925 16.020 3.266 1.00 0.59 H new ATOM 0 HB2 ASP A 29 10.667 15.498 5.145 1.00 0.60 H new ATOM 0 HB3 ASP A 29 10.980 14.046 4.214 1.00 0.60 H new ATOM 357 N PHE A 30 7.708 13.934 2.122 1.00 0.49 N ATOM 358 CA PHE A 30 7.168 12.775 1.430 1.00 0.44 C ATOM 359 C PHE A 30 8.027 12.308 0.259 1.00 0.42 C ATOM 360 O PHE A 30 8.320 11.125 0.165 1.00 0.43 O ATOM 361 CB PHE A 30 5.723 13.039 0.994 1.00 0.45 C ATOM 362 CG PHE A 30 4.771 13.189 2.158 1.00 0.50 C ATOM 363 CD1 PHE A 30 4.767 12.267 3.194 1.00 0.52 C ATOM 364 CD2 PHE A 30 3.872 14.247 2.211 1.00 0.64 C ATOM 365 CE1 PHE A 30 3.891 12.397 4.255 1.00 0.58 C ATOM 366 CE2 PHE A 30 2.996 14.380 3.271 1.00 0.71 C ATOM 367 CZ PHE A 30 3.031 13.474 4.313 1.00 0.66 C ATOM 0 H PHE A 30 7.074 14.733 2.148 1.00 0.49 H new ATOM 0 HA PHE A 30 7.179 11.952 2.145 1.00 0.44 H new ATOM 0 HB2 PHE A 30 5.692 13.945 0.388 1.00 0.45 H new ATOM 0 HB3 PHE A 30 5.386 12.219 0.360 1.00 0.45 H new ATOM 0 HD1 PHE A 30 5.457 11.437 3.171 1.00 0.52 H new ATOM 0 HD2 PHE A 30 3.858 14.975 1.413 1.00 0.64 H new ATOM 0 HE1 PHE A 30 3.880 11.655 5.039 1.00 0.58 H new ATOM 0 HE2 PHE A 30 2.284 15.192 3.285 1.00 0.71 H new ATOM 0 HZ PHE A 30 2.388 13.608 5.170 1.00 0.66 H new ATOM 377 N ASP A 31 8.454 13.204 -0.620 1.00 0.46 N ATOM 378 CA ASP A 31 9.229 12.764 -1.783 1.00 0.48 C ATOM 379 C ASP A 31 10.600 12.267 -1.362 1.00 0.44 C ATOM 380 O ASP A 31 11.161 11.386 -1.999 1.00 0.42 O ATOM 381 CB ASP A 31 9.380 13.858 -2.833 1.00 0.57 C ATOM 382 CG ASP A 31 8.963 13.378 -4.209 1.00 1.30 C ATOM 383 OD1 ASP A 31 7.767 13.083 -4.407 1.00 1.61 O ATOM 384 OD2 ASP A 31 9.830 13.295 -5.103 1.00 1.93 O ATOM 0 H ASP A 31 8.287 14.208 -0.560 1.00 0.46 H new ATOM 0 HA ASP A 31 8.668 11.946 -2.235 1.00 0.48 H new ATOM 0 HB2 ASP A 31 8.775 14.720 -2.550 1.00 0.57 H new ATOM 0 HB3 ASP A 31 10.417 14.192 -2.863 1.00 0.57 H new ATOM 389 N THR A 32 11.131 12.827 -0.287 1.00 0.45 N ATOM 390 CA THR A 32 12.390 12.363 0.279 1.00 0.45 C ATOM 391 C THR A 32 12.213 10.970 0.877 1.00 0.39 C ATOM 392 O THR A 32 13.080 10.102 0.747 1.00 0.38 O ATOM 393 CB THR A 32 12.894 13.331 1.362 1.00 0.50 C ATOM 394 OG1 THR A 32 13.025 14.647 0.810 1.00 0.57 O ATOM 395 CG2 THR A 32 14.227 12.878 1.932 1.00 0.52 C ATOM 0 H THR A 32 10.708 13.608 0.214 1.00 0.45 H new ATOM 0 HA THR A 32 13.129 12.323 -0.522 1.00 0.45 H new ATOM 0 HB THR A 32 12.166 13.342 2.173 1.00 0.50 H new ATOM 0 HG1 THR A 32 12.170 15.120 0.886 1.00 0.57 H new ATOM 0 HG21 THR A 32 14.555 13.584 2.695 1.00 0.52 H new ATOM 0 HG22 THR A 32 14.115 11.889 2.377 1.00 0.52 H new ATOM 0 HG23 THR A 32 14.968 12.835 1.134 1.00 0.52 H new ATOM 403 N ALA A 33 11.077 10.765 1.527 1.00 0.38 N ATOM 404 CA ALA A 33 10.705 9.450 2.015 1.00 0.36 C ATOM 405 C ALA A 33 10.630 8.481 0.849 1.00 0.30 C ATOM 406 O ALA A 33 11.329 7.467 0.810 1.00 0.28 O ATOM 407 CB ALA A 33 9.367 9.515 2.729 1.00 0.39 C ATOM 0 H ALA A 33 10.396 11.497 1.728 1.00 0.38 H new ATOM 0 HA ALA A 33 11.458 9.103 2.723 1.00 0.36 H new ATOM 0 HB1 ALA A 33 9.099 8.522 3.090 1.00 0.39 H new ATOM 0 HB2 ALA A 33 9.438 10.202 3.573 1.00 0.39 H new ATOM 0 HB3 ALA A 33 8.602 9.868 2.037 1.00 0.39 H new ATOM 413 N LEU A 34 9.794 8.849 -0.110 1.00 0.29 N ATOM 414 CA LEU A 34 9.600 8.119 -1.354 1.00 0.26 C ATOM 415 C LEU A 34 10.951 7.853 -2.030 1.00 0.26 C ATOM 416 O LEU A 34 11.147 6.833 -2.684 1.00 0.26 O ATOM 417 CB LEU A 34 8.711 8.993 -2.258 1.00 0.28 C ATOM 418 CG LEU A 34 7.733 8.299 -3.207 1.00 0.33 C ATOM 419 CD1 LEU A 34 7.660 9.044 -4.526 1.00 0.81 C ATOM 420 CD2 LEU A 34 8.082 6.848 -3.414 1.00 0.53 C ATOM 0 H LEU A 34 9.216 9.687 -0.043 1.00 0.29 H new ATOM 0 HA LEU A 34 9.129 7.154 -1.168 1.00 0.26 H new ATOM 0 HB2 LEU A 34 8.134 9.657 -1.614 1.00 0.28 H new ATOM 0 HB3 LEU A 34 9.367 9.623 -2.859 1.00 0.28 H new ATOM 0 HG LEU A 34 6.747 8.321 -2.744 1.00 0.33 H new ATOM 0 HD11 LEU A 34 6.960 8.538 -5.191 1.00 0.81 H new ATOM 0 HD12 LEU A 34 7.320 10.064 -4.349 1.00 0.81 H new ATOM 0 HD13 LEU A 34 8.648 9.065 -4.987 1.00 0.81 H new ATOM 0 HD21 LEU A 34 7.362 6.394 -4.095 1.00 0.53 H new ATOM 0 HD22 LEU A 34 9.082 6.772 -3.840 1.00 0.53 H new ATOM 0 HD23 LEU A 34 8.055 6.327 -2.457 1.00 0.53 H new ATOM 432 N LYS A 35 11.880 8.778 -1.836 1.00 0.31 N ATOM 433 CA LYS A 35 13.195 8.718 -2.456 1.00 0.33 C ATOM 434 C LYS A 35 14.042 7.599 -1.852 1.00 0.29 C ATOM 435 O LYS A 35 14.603 6.783 -2.581 1.00 0.30 O ATOM 436 CB LYS A 35 13.897 10.068 -2.278 1.00 0.40 C ATOM 437 CG LYS A 35 14.734 10.510 -3.464 1.00 0.49 C ATOM 438 CD LYS A 35 13.887 10.721 -4.715 1.00 0.53 C ATOM 439 CE LYS A 35 12.874 11.850 -4.548 1.00 0.60 C ATOM 440 NZ LYS A 35 12.055 12.032 -5.773 1.00 1.41 N ATOM 0 H LYS A 35 11.742 9.595 -1.241 1.00 0.31 H new ATOM 0 HA LYS A 35 13.072 8.503 -3.517 1.00 0.33 H new ATOM 0 HB2 LYS A 35 13.144 10.830 -2.078 1.00 0.40 H new ATOM 0 HB3 LYS A 35 14.538 10.015 -1.398 1.00 0.40 H new ATOM 0 HG2 LYS A 35 15.252 11.436 -3.217 1.00 0.49 H new ATOM 0 HG3 LYS A 35 15.499 9.761 -3.667 1.00 0.49 H new ATOM 0 HD2 LYS A 35 14.540 10.944 -5.559 1.00 0.53 H new ATOM 0 HD3 LYS A 35 13.361 9.797 -4.954 1.00 0.53 H new ATOM 0 HE2 LYS A 35 12.222 11.633 -3.702 1.00 0.60 H new ATOM 0 HE3 LYS A 35 13.397 12.778 -4.317 1.00 0.60 H new ATOM 0 HZ1 LYS A 35 11.301 12.723 -5.587 1.00 1.41 H new ATOM 0 HZ2 LYS A 35 12.659 12.378 -6.546 1.00 1.41 H new ATOM 0 HZ3 LYS A 35 11.631 11.122 -6.046 1.00 1.41 H new ATOM 454 N HIS A 36 14.135 7.550 -0.523 1.00 0.29 N ATOM 455 CA HIS A 36 14.891 6.479 0.131 1.00 0.29 C ATOM 456 C HIS A 36 14.144 5.170 0.001 1.00 0.25 C ATOM 457 O HIS A 36 14.748 4.108 -0.089 1.00 0.27 O ATOM 458 CB HIS A 36 15.140 6.748 1.610 1.00 0.38 C ATOM 459 CG HIS A 36 15.968 7.952 1.892 1.00 0.38 C ATOM 460 ND1 HIS A 36 17.342 7.957 1.816 1.00 0.43 N ATOM 461 CD2 HIS A 36 15.604 9.192 2.275 1.00 0.40 C ATOM 462 CE1 HIS A 36 17.791 9.155 2.142 1.00 0.47 C ATOM 463 NE2 HIS A 36 16.755 9.924 2.423 1.00 0.46 N ATOM 0 H HIS A 36 13.707 8.224 0.112 1.00 0.29 H new ATOM 0 HA HIS A 36 15.858 6.431 -0.370 1.00 0.29 H new ATOM 0 HB2 HIS A 36 14.179 6.859 2.112 1.00 0.38 H new ATOM 0 HB3 HIS A 36 15.629 5.877 2.047 1.00 0.38 H new ATOM 0 HD1 HIS A 36 17.922 7.161 1.550 1.00 0.43 H new ATOM 0 HD2 HIS A 36 14.595 9.543 2.435 1.00 0.40 H new ATOM 0 HE1 HIS A 36 18.828 9.455 2.173 1.00 0.47 H new ATOM 472 N TYR A 37 12.823 5.253 0.010 1.00 0.22 N ATOM 473 CA TYR A 37 11.997 4.092 -0.242 1.00 0.21 C ATOM 474 C TYR A 37 12.300 3.539 -1.634 1.00 0.21 C ATOM 475 O TYR A 37 12.383 2.327 -1.829 1.00 0.24 O ATOM 476 CB TYR A 37 10.518 4.451 -0.135 1.00 0.22 C ATOM 477 CG TYR A 37 9.969 4.516 1.274 1.00 0.23 C ATOM 478 CD1 TYR A 37 10.196 3.492 2.179 1.00 0.33 C ATOM 479 CD2 TYR A 37 9.172 5.576 1.674 1.00 0.37 C ATOM 480 CE1 TYR A 37 9.651 3.529 3.444 1.00 0.40 C ATOM 481 CE2 TYR A 37 8.610 5.614 2.932 1.00 0.41 C ATOM 482 CZ TYR A 37 8.853 4.588 3.812 1.00 0.36 C ATOM 483 OH TYR A 37 8.276 4.605 5.055 1.00 0.48 O ATOM 0 H TYR A 37 12.304 6.113 0.189 1.00 0.22 H new ATOM 0 HA TYR A 37 12.222 3.333 0.507 1.00 0.21 H new ATOM 0 HB2 TYR A 37 10.360 5.417 -0.614 1.00 0.22 H new ATOM 0 HB3 TYR A 37 9.941 3.718 -0.699 1.00 0.22 H new ATOM 0 HD1 TYR A 37 10.809 2.652 1.889 1.00 0.33 H new ATOM 0 HD2 TYR A 37 8.987 6.388 0.987 1.00 0.37 H new ATOM 0 HE1 TYR A 37 9.849 2.730 4.144 1.00 0.40 H new ATOM 0 HE2 TYR A 37 7.984 6.444 3.223 1.00 0.41 H new ATOM 0 HH TYR A 37 7.318 4.795 4.969 1.00 0.48 H new ATOM 493 N ASP A 38 12.459 4.443 -2.599 1.00 0.25 N ATOM 494 CA ASP A 38 12.865 4.076 -3.956 1.00 0.31 C ATOM 495 C ASP A 38 14.236 3.432 -3.930 1.00 0.30 C ATOM 496 O ASP A 38 14.459 2.395 -4.553 1.00 0.32 O ATOM 497 CB ASP A 38 12.905 5.309 -4.858 1.00 0.42 C ATOM 498 CG ASP A 38 13.203 4.963 -6.304 1.00 0.78 C ATOM 499 OD1 ASP A 38 12.260 4.625 -7.049 1.00 0.68 O ATOM 500 OD2 ASP A 38 14.384 5.023 -6.706 1.00 1.51 O ATOM 0 H ASP A 38 12.312 5.443 -2.465 1.00 0.25 H new ATOM 0 HA ASP A 38 12.135 3.370 -4.352 1.00 0.31 H new ATOM 0 HB2 ASP A 38 11.948 5.827 -4.802 1.00 0.42 H new ATOM 0 HB3 ASP A 38 13.663 6.000 -4.490 1.00 0.42 H new ATOM 505 N LYS A 39 15.143 4.057 -3.192 1.00 0.30 N ATOM 506 CA LYS A 39 16.489 3.539 -3.013 1.00 0.32 C ATOM 507 C LYS A 39 16.431 2.122 -2.452 1.00 0.29 C ATOM 508 O LYS A 39 17.100 1.223 -2.945 1.00 0.32 O ATOM 509 CB LYS A 39 17.278 4.454 -2.073 1.00 0.35 C ATOM 510 CG LYS A 39 18.761 4.144 -2.033 1.00 0.41 C ATOM 511 CD LYS A 39 19.419 4.415 -3.372 1.00 0.47 C ATOM 512 CE LYS A 39 20.841 3.901 -3.392 1.00 0.54 C ATOM 513 NZ LYS A 39 21.506 4.153 -4.697 1.00 1.25 N ATOM 0 H LYS A 39 14.966 4.934 -2.703 1.00 0.30 H new ATOM 0 HA LYS A 39 16.994 3.511 -3.979 1.00 0.32 H new ATOM 0 HB2 LYS A 39 17.139 5.489 -2.385 1.00 0.35 H new ATOM 0 HB3 LYS A 39 16.869 4.367 -1.066 1.00 0.35 H new ATOM 0 HG2 LYS A 39 19.240 4.747 -1.262 1.00 0.41 H new ATOM 0 HG3 LYS A 39 18.909 3.100 -1.758 1.00 0.41 H new ATOM 0 HD2 LYS A 39 18.845 3.938 -4.166 1.00 0.47 H new ATOM 0 HD3 LYS A 39 19.413 5.486 -3.574 1.00 0.47 H new ATOM 0 HE2 LYS A 39 21.411 4.380 -2.596 1.00 0.54 H new ATOM 0 HE3 LYS A 39 20.843 2.831 -3.185 1.00 0.54 H new ATOM 0 HZ1 LYS A 39 22.478 3.785 -4.668 1.00 1.25 H new ATOM 0 HZ2 LYS A 39 20.977 3.674 -5.454 1.00 1.25 H new ATOM 0 HZ3 LYS A 39 21.528 5.176 -4.884 1.00 1.25 H new ATOM 527 N ALA A 40 15.594 1.926 -1.443 1.00 0.25 N ATOM 528 CA ALA A 40 15.419 0.618 -0.830 1.00 0.24 C ATOM 529 C ALA A 40 14.880 -0.399 -1.831 1.00 0.22 C ATOM 530 O ALA A 40 15.203 -1.578 -1.746 1.00 0.26 O ATOM 531 CB ALA A 40 14.501 0.719 0.381 1.00 0.22 C ATOM 0 H ALA A 40 15.022 2.662 -1.030 1.00 0.25 H new ATOM 0 HA ALA A 40 16.397 0.269 -0.500 1.00 0.24 H new ATOM 0 HB1 ALA A 40 14.380 -0.267 0.829 1.00 0.22 H new ATOM 0 HB2 ALA A 40 14.938 1.399 1.113 1.00 0.22 H new ATOM 0 HB3 ALA A 40 13.528 1.098 0.069 1.00 0.22 H new ATOM 537 N LYS A 41 14.070 0.054 -2.786 1.00 0.23 N ATOM 538 CA LYS A 41 13.549 -0.843 -3.816 1.00 0.26 C ATOM 539 C LYS A 41 14.626 -1.138 -4.861 1.00 0.31 C ATOM 540 O LYS A 41 14.582 -2.156 -5.550 1.00 0.37 O ATOM 541 CB LYS A 41 12.311 -0.264 -4.506 1.00 0.29 C ATOM 542 CG LYS A 41 11.607 -1.293 -5.388 1.00 0.41 C ATOM 543 CD LYS A 41 11.206 -0.734 -6.747 1.00 0.78 C ATOM 544 CE LYS A 41 10.075 0.272 -6.650 1.00 0.89 C ATOM 545 NZ LYS A 41 9.744 0.857 -7.973 1.00 1.37 N ATOM 0 H LYS A 41 13.763 1.023 -2.868 1.00 0.23 H new ATOM 0 HA LYS A 41 13.257 -1.768 -3.319 1.00 0.26 H new ATOM 0 HB2 LYS A 41 11.615 0.102 -3.752 1.00 0.29 H new ATOM 0 HB3 LYS A 41 12.603 0.593 -5.113 1.00 0.29 H new ATOM 0 HG2 LYS A 41 12.265 -2.150 -5.533 1.00 0.41 H new ATOM 0 HG3 LYS A 41 10.718 -1.657 -4.874 1.00 0.41 H new ATOM 0 HD2 LYS A 41 12.071 -0.260 -7.211 1.00 0.78 H new ATOM 0 HD3 LYS A 41 10.904 -1.554 -7.399 1.00 0.78 H new ATOM 0 HE2 LYS A 41 9.191 -0.213 -6.236 1.00 0.89 H new ATOM 0 HE3 LYS A 41 10.355 1.068 -5.960 1.00 0.89 H new ATOM 0 HZ1 LYS A 41 8.967 1.540 -7.866 1.00 1.37 H new ATOM 0 HZ2 LYS A 41 10.580 1.342 -8.357 1.00 1.37 H new ATOM 0 HZ3 LYS A 41 9.453 0.100 -8.624 1.00 1.37 H new ATOM 559 N GLU A 42 15.579 -0.229 -4.994 1.00 0.32 N ATOM 560 CA GLU A 42 16.719 -0.447 -5.872 1.00 0.38 C ATOM 561 C GLU A 42 17.684 -1.423 -5.221 1.00 0.40 C ATOM 562 O GLU A 42 18.343 -2.220 -5.893 1.00 0.50 O ATOM 563 CB GLU A 42 17.432 0.872 -6.167 1.00 0.43 C ATOM 564 CG GLU A 42 16.571 1.877 -6.909 1.00 1.11 C ATOM 565 CD GLU A 42 16.111 1.361 -8.255 1.00 1.81 C ATOM 566 OE1 GLU A 42 16.968 1.139 -9.136 1.00 2.03 O ATOM 567 OE2 GLU A 42 14.889 1.157 -8.432 1.00 2.78 O ATOM 0 H GLU A 42 15.586 0.666 -4.506 1.00 0.32 H new ATOM 0 HA GLU A 42 16.361 -0.863 -6.814 1.00 0.38 H new ATOM 0 HB2 GLU A 42 17.763 1.314 -5.227 1.00 0.43 H new ATOM 0 HB3 GLU A 42 18.326 0.668 -6.756 1.00 0.43 H new ATOM 0 HG2 GLU A 42 15.701 2.124 -6.301 1.00 1.11 H new ATOM 0 HG3 GLU A 42 17.134 2.800 -7.050 1.00 1.11 H new ATOM 574 N LEU A 43 17.754 -1.350 -3.903 1.00 0.36 N ATOM 575 CA LEU A 43 18.590 -2.247 -3.129 1.00 0.39 C ATOM 576 C LEU A 43 17.943 -3.621 -3.029 1.00 0.39 C ATOM 577 O LEU A 43 18.592 -4.643 -3.254 1.00 0.49 O ATOM 578 CB LEU A 43 18.862 -1.668 -1.742 1.00 0.39 C ATOM 579 CG LEU A 43 20.057 -0.719 -1.670 1.00 0.43 C ATOM 580 CD1 LEU A 43 19.899 0.385 -2.673 1.00 0.42 C ATOM 581 CD2 LEU A 43 20.188 -0.128 -0.291 1.00 0.45 C ATOM 0 H LEU A 43 17.236 -0.672 -3.344 1.00 0.36 H new ATOM 0 HA LEU A 43 19.546 -2.357 -3.640 1.00 0.39 H new ATOM 0 HB2 LEU A 43 17.972 -1.137 -1.404 1.00 0.39 H new ATOM 0 HB3 LEU A 43 19.026 -2.490 -1.046 1.00 0.39 H new ATOM 0 HG LEU A 43 20.958 -1.290 -1.895 1.00 0.43 H new ATOM 0 HD11 LEU A 43 20.756 1.056 -2.614 1.00 0.42 H new ATOM 0 HD12 LEU A 43 19.839 -0.040 -3.675 1.00 0.42 H new ATOM 0 HD13 LEU A 43 18.987 0.942 -2.460 1.00 0.42 H new ATOM 0 HD21 LEU A 43 21.045 0.544 -0.263 1.00 0.45 H new ATOM 0 HD22 LEU A 43 19.283 0.428 -0.046 1.00 0.45 H new ATOM 0 HD23 LEU A 43 20.331 -0.928 0.436 1.00 0.45 H new ATOM 593 N ASP A 44 16.659 -3.646 -2.709 1.00 0.32 N ATOM 594 CA ASP A 44 15.922 -4.895 -2.693 1.00 0.33 C ATOM 595 C ASP A 44 14.637 -4.776 -3.502 1.00 0.32 C ATOM 596 O ASP A 44 13.602 -4.343 -2.989 1.00 0.33 O ATOM 597 CB ASP A 44 15.590 -5.347 -1.273 1.00 0.40 C ATOM 598 CG ASP A 44 15.166 -6.807 -1.218 1.00 0.46 C ATOM 599 OD1 ASP A 44 14.672 -7.336 -2.237 1.00 0.52 O ATOM 600 OD2 ASP A 44 15.327 -7.440 -0.155 1.00 1.11 O ATOM 0 H ASP A 44 16.111 -2.823 -2.459 1.00 0.32 H new ATOM 0 HA ASP A 44 16.568 -5.647 -3.146 1.00 0.33 H new ATOM 0 HB2 ASP A 44 16.460 -5.199 -0.634 1.00 0.40 H new ATOM 0 HB3 ASP A 44 14.791 -4.723 -0.873 1.00 0.40 H new ATOM 605 N PRO A 45 14.685 -5.174 -4.778 1.00 0.41 N ATOM 606 CA PRO A 45 13.529 -5.123 -5.675 1.00 0.49 C ATOM 607 C PRO A 45 12.498 -6.208 -5.374 1.00 0.47 C ATOM 608 O PRO A 45 11.410 -6.227 -5.952 1.00 0.59 O ATOM 609 CB PRO A 45 14.148 -5.355 -7.050 1.00 0.64 C ATOM 610 CG PRO A 45 15.349 -6.185 -6.770 1.00 0.63 C ATOM 611 CD PRO A 45 15.881 -5.695 -5.457 1.00 0.52 C ATOM 0 HA PRO A 45 12.985 -4.183 -5.579 1.00 0.49 H new ATOM 0 HB2 PRO A 45 13.456 -5.868 -7.718 1.00 0.64 H new ATOM 0 HB3 PRO A 45 14.416 -4.414 -7.530 1.00 0.64 H new ATOM 0 HG2 PRO A 45 15.091 -7.243 -6.718 1.00 0.63 H new ATOM 0 HG3 PRO A 45 16.093 -6.077 -7.559 1.00 0.63 H new ATOM 0 HD2 PRO A 45 16.348 -6.499 -4.888 1.00 0.52 H new ATOM 0 HD3 PRO A 45 16.635 -4.920 -5.593 1.00 0.52 H new ATOM 619 N THR A 46 12.844 -7.117 -4.472 1.00 0.39 N ATOM 620 CA THR A 46 11.966 -8.224 -4.146 1.00 0.40 C ATOM 621 C THR A 46 11.317 -8.033 -2.778 1.00 0.40 C ATOM 622 O THR A 46 10.486 -8.837 -2.351 1.00 0.42 O ATOM 623 CB THR A 46 12.716 -9.567 -4.199 1.00 0.42 C ATOM 624 OG1 THR A 46 13.903 -9.522 -3.391 1.00 0.45 O ATOM 625 CG2 THR A 46 13.095 -9.915 -5.629 1.00 0.46 C ATOM 0 H THR A 46 13.724 -7.107 -3.957 1.00 0.39 H new ATOM 0 HA THR A 46 11.178 -8.243 -4.898 1.00 0.40 H new ATOM 0 HB THR A 46 12.047 -10.334 -3.808 1.00 0.42 H new ATOM 0 HG1 THR A 46 13.844 -8.770 -2.765 1.00 0.45 H new ATOM 0 HG21 THR A 46 13.624 -10.868 -5.644 1.00 0.46 H new ATOM 0 HG22 THR A 46 12.193 -9.992 -6.236 1.00 0.46 H new ATOM 0 HG23 THR A 46 13.740 -9.136 -6.034 1.00 0.46 H new ATOM 633 N ASN A 47 11.692 -6.961 -2.093 1.00 0.52 N ATOM 634 CA ASN A 47 11.096 -6.642 -0.807 1.00 0.56 C ATOM 635 C ASN A 47 9.911 -5.717 -1.008 1.00 0.56 C ATOM 636 O ASN A 47 10.056 -4.493 -1.043 1.00 0.89 O ATOM 637 CB ASN A 47 12.117 -6.001 0.126 1.00 0.78 C ATOM 638 CG ASN A 47 11.644 -5.957 1.566 1.00 1.51 C ATOM 639 OD1 ASN A 47 11.875 -6.892 2.332 1.00 2.13 O ATOM 640 ND2 ASN A 47 10.989 -4.872 1.951 1.00 1.47 N ATOM 0 H ASN A 47 12.404 -6.301 -2.407 1.00 0.52 H new ATOM 0 HA ASN A 47 10.755 -7.568 -0.344 1.00 0.56 H new ATOM 0 HB2 ASN A 47 13.053 -6.557 0.072 1.00 0.78 H new ATOM 0 HB3 ASN A 47 12.328 -4.987 -0.214 1.00 0.78 H new ATOM 0 HD21 ASN A 47 10.657 -4.791 2.912 1.00 1.47 H new ATOM 0 HD22 ASN A 47 10.817 -4.118 1.286 1.00 1.47 H new ATOM 647 N MET A 48 8.738 -6.319 -1.131 1.00 0.29 N ATOM 648 CA MET A 48 7.516 -5.595 -1.451 1.00 0.26 C ATOM 649 C MET A 48 7.220 -4.487 -0.442 1.00 0.24 C ATOM 650 O MET A 48 6.594 -3.484 -0.777 1.00 0.24 O ATOM 651 CB MET A 48 6.338 -6.559 -1.508 1.00 0.22 C ATOM 652 CG MET A 48 5.920 -7.108 -0.156 1.00 0.19 C ATOM 653 SD MET A 48 4.404 -8.065 -0.252 1.00 1.05 S ATOM 654 CE MET A 48 3.292 -6.830 -0.914 1.00 0.27 C ATOM 0 H MET A 48 8.606 -7.323 -1.012 1.00 0.29 H new ATOM 0 HA MET A 48 7.664 -5.128 -2.425 1.00 0.26 H new ATOM 0 HB2 MET A 48 5.487 -6.049 -1.960 1.00 0.22 H new ATOM 0 HB3 MET A 48 6.595 -7.392 -2.162 1.00 0.22 H new ATOM 0 HG2 MET A 48 6.718 -7.734 0.243 1.00 0.19 H new ATOM 0 HG3 MET A 48 5.783 -6.283 0.543 1.00 0.19 H new ATOM 0 HE1 MET A 48 2.327 -6.904 -0.413 1.00 0.27 H new ATOM 0 HE2 MET A 48 3.711 -5.837 -0.750 1.00 0.27 H new ATOM 0 HE3 MET A 48 3.159 -6.996 -1.983 1.00 0.27 H new ATOM 664 N THR A 49 7.688 -4.673 0.787 1.00 0.24 N ATOM 665 CA THR A 49 7.437 -3.726 1.863 1.00 0.26 C ATOM 666 C THR A 49 8.026 -2.351 1.552 1.00 0.28 C ATOM 667 O THR A 49 7.537 -1.329 2.029 1.00 0.39 O ATOM 668 CB THR A 49 8.027 -4.252 3.183 1.00 0.29 C ATOM 669 OG1 THR A 49 7.610 -5.609 3.391 1.00 0.71 O ATOM 670 CG2 THR A 49 7.591 -3.391 4.357 1.00 0.64 C ATOM 0 H THR A 49 8.248 -5.479 1.063 1.00 0.24 H new ATOM 0 HA THR A 49 6.357 -3.620 1.961 1.00 0.26 H new ATOM 0 HB THR A 49 9.114 -4.210 3.116 1.00 0.29 H new ATOM 0 HG1 THR A 49 7.988 -5.942 4.231 1.00 0.71 H new ATOM 0 HG21 THR A 49 8.022 -3.785 5.277 1.00 0.64 H new ATOM 0 HG22 THR A 49 7.934 -2.368 4.205 1.00 0.64 H new ATOM 0 HG23 THR A 49 6.504 -3.402 4.432 1.00 0.64 H new ATOM 678 N TYR A 50 9.067 -2.323 0.731 1.00 0.23 N ATOM 679 CA TYR A 50 9.692 -1.063 0.371 1.00 0.23 C ATOM 680 C TYR A 50 8.813 -0.316 -0.610 1.00 0.26 C ATOM 681 O TYR A 50 8.738 0.908 -0.590 1.00 0.42 O ATOM 682 CB TYR A 50 11.081 -1.285 -0.233 1.00 0.21 C ATOM 683 CG TYR A 50 12.058 -1.943 0.715 1.00 0.22 C ATOM 684 CD1 TYR A 50 11.950 -1.766 2.087 1.00 0.28 C ATOM 685 CD2 TYR A 50 13.096 -2.736 0.238 1.00 0.25 C ATOM 686 CE1 TYR A 50 12.848 -2.358 2.953 1.00 0.35 C ATOM 687 CE2 TYR A 50 13.993 -3.332 1.102 1.00 0.31 C ATOM 688 CZ TYR A 50 13.846 -3.168 2.459 1.00 0.34 C ATOM 689 OH TYR A 50 14.768 -3.720 3.322 1.00 0.44 O ATOM 0 H TYR A 50 9.490 -3.149 0.308 1.00 0.23 H new ATOM 0 HA TYR A 50 9.810 -0.470 1.278 1.00 0.23 H new ATOM 0 HB2 TYR A 50 10.985 -1.901 -1.127 1.00 0.21 H new ATOM 0 HB3 TYR A 50 11.487 -0.325 -0.550 1.00 0.21 H new ATOM 0 HD1 TYR A 50 11.152 -1.156 2.483 1.00 0.28 H new ATOM 0 HD2 TYR A 50 13.202 -2.888 -0.826 1.00 0.25 H new ATOM 0 HE1 TYR A 50 12.768 -2.186 4.016 1.00 0.35 H new ATOM 0 HE2 TYR A 50 14.807 -3.925 0.713 1.00 0.31 H new ATOM 0 HH TYR A 50 15.404 -4.266 2.815 1.00 0.44 H new ATOM 699 N ILE A 51 8.114 -1.079 -1.431 1.00 0.18 N ATOM 700 CA ILE A 51 7.304 -0.528 -2.498 1.00 0.19 C ATOM 701 C ILE A 51 5.967 -0.021 -1.970 1.00 0.19 C ATOM 702 O ILE A 51 5.494 1.046 -2.359 1.00 0.22 O ATOM 703 CB ILE A 51 7.053 -1.590 -3.582 1.00 0.20 C ATOM 704 CG1 ILE A 51 8.382 -2.117 -4.112 1.00 0.25 C ATOM 705 CG2 ILE A 51 6.215 -1.016 -4.712 1.00 0.21 C ATOM 706 CD1 ILE A 51 8.255 -3.397 -4.909 1.00 0.33 C ATOM 0 H ILE A 51 8.093 -2.097 -1.375 1.00 0.18 H new ATOM 0 HA ILE A 51 7.851 0.311 -2.928 1.00 0.19 H new ATOM 0 HB ILE A 51 6.499 -2.418 -3.139 1.00 0.20 H new ATOM 0 HG12 ILE A 51 8.841 -1.353 -4.739 1.00 0.25 H new ATOM 0 HG13 ILE A 51 9.056 -2.288 -3.272 1.00 0.25 H new ATOM 0 HG21 ILE A 51 6.049 -1.783 -5.468 1.00 0.21 H new ATOM 0 HG22 ILE A 51 5.255 -0.680 -4.319 1.00 0.21 H new ATOM 0 HG23 ILE A 51 6.739 -0.172 -5.161 1.00 0.21 H new ATOM 0 HD11 ILE A 51 9.241 -3.711 -5.253 1.00 0.33 H new ATOM 0 HD12 ILE A 51 7.825 -4.176 -4.280 1.00 0.33 H new ATOM 0 HD13 ILE A 51 7.608 -3.227 -5.769 1.00 0.33 H new ATOM 718 N THR A 52 5.364 -0.786 -1.072 1.00 0.20 N ATOM 719 CA THR A 52 4.090 -0.409 -0.481 1.00 0.24 C ATOM 720 C THR A 52 4.243 0.870 0.330 1.00 0.24 C ATOM 721 O THR A 52 3.316 1.676 0.433 1.00 0.27 O ATOM 722 CB THR A 52 3.549 -1.530 0.424 1.00 0.27 C ATOM 723 OG1 THR A 52 4.510 -1.845 1.439 1.00 0.28 O ATOM 724 CG2 THR A 52 3.248 -2.776 -0.380 1.00 0.26 C ATOM 0 H THR A 52 5.738 -1.674 -0.736 1.00 0.20 H new ATOM 0 HA THR A 52 3.381 -0.242 -1.292 1.00 0.24 H new ATOM 0 HB THR A 52 2.626 -1.177 0.885 1.00 0.27 H new ATOM 0 HG1 THR A 52 4.159 -2.558 2.012 1.00 0.28 H new ATOM 0 HG21 THR A 52 2.867 -3.553 0.282 1.00 0.26 H new ATOM 0 HG22 THR A 52 2.500 -2.547 -1.139 1.00 0.26 H new ATOM 0 HG23 THR A 52 4.160 -3.126 -0.863 1.00 0.26 H new ATOM 732 N ASN A 53 5.425 1.046 0.900 1.00 0.25 N ATOM 733 CA ASN A 53 5.742 2.241 1.661 1.00 0.27 C ATOM 734 C ASN A 53 5.996 3.427 0.732 1.00 0.24 C ATOM 735 O ASN A 53 5.763 4.575 1.106 1.00 0.27 O ATOM 736 CB ASN A 53 6.941 1.981 2.572 1.00 0.34 C ATOM 737 CG ASN A 53 6.551 1.280 3.864 1.00 0.81 C ATOM 738 OD1 ASN A 53 5.586 0.515 3.906 1.00 1.59 O ATOM 739 ND2 ASN A 53 7.288 1.547 4.932 1.00 1.42 N ATOM 0 H ASN A 53 6.186 0.369 0.848 1.00 0.25 H new ATOM 0 HA ASN A 53 4.886 2.494 2.287 1.00 0.27 H new ATOM 0 HB2 ASN A 53 7.673 1.373 2.039 1.00 0.34 H new ATOM 0 HB3 ASN A 53 7.425 2.928 2.809 1.00 0.34 H new ATOM 0 HD21 ASN A 53 7.064 1.114 5.828 1.00 1.42 H new ATOM 0 HD22 ASN A 53 8.080 2.186 4.859 1.00 1.42 H new ATOM 746 N GLN A 54 6.463 3.145 -0.484 1.00 0.23 N ATOM 747 CA GLN A 54 6.570 4.172 -1.520 1.00 0.25 C ATOM 748 C GLN A 54 5.184 4.648 -1.894 1.00 0.25 C ATOM 749 O GLN A 54 4.914 5.845 -1.996 1.00 0.28 O ATOM 750 CB GLN A 54 7.227 3.617 -2.781 1.00 0.27 C ATOM 751 CG GLN A 54 8.609 3.059 -2.567 1.00 0.40 C ATOM 752 CD GLN A 54 9.155 2.404 -3.815 1.00 0.62 C ATOM 753 OE1 GLN A 54 8.401 1.924 -4.660 1.00 1.27 O ATOM 754 NE2 GLN A 54 10.463 2.341 -3.920 1.00 1.34 N ATOM 0 H GLN A 54 6.772 2.218 -0.775 1.00 0.23 H new ATOM 0 HA GLN A 54 7.176 4.987 -1.124 1.00 0.25 H new ATOM 0 HB2 GLN A 54 6.591 2.833 -3.192 1.00 0.27 H new ATOM 0 HB3 GLN A 54 7.280 4.409 -3.528 1.00 0.27 H new ATOM 0 HG2 GLN A 54 9.279 3.860 -2.255 1.00 0.40 H new ATOM 0 HG3 GLN A 54 8.584 2.331 -1.756 1.00 0.40 H new ATOM 0 HE21 GLN A 54 11.053 2.752 -3.197 1.00 1.34 H new ATOM 0 HE22 GLN A 54 10.888 1.881 -4.725 1.00 1.34 H new ATOM 763 N ALA A 55 4.318 3.674 -2.108 1.00 0.24 N ATOM 764 CA ALA A 55 2.937 3.917 -2.458 1.00 0.25 C ATOM 765 C ALA A 55 2.241 4.738 -1.377 1.00 0.26 C ATOM 766 O ALA A 55 1.445 5.629 -1.671 1.00 0.30 O ATOM 767 CB ALA A 55 2.242 2.586 -2.664 1.00 0.24 C ATOM 0 H ALA A 55 4.559 2.685 -2.042 1.00 0.24 H new ATOM 0 HA ALA A 55 2.891 4.493 -3.382 1.00 0.25 H new ATOM 0 HB1 ALA A 55 1.199 2.757 -2.929 1.00 0.24 H new ATOM 0 HB2 ALA A 55 2.735 2.039 -3.467 1.00 0.24 H new ATOM 0 HB3 ALA A 55 2.292 2.003 -1.744 1.00 0.24 H new ATOM 773 N ALA A 56 2.572 4.436 -0.123 1.00 0.26 N ATOM 774 CA ALA A 56 2.050 5.178 1.020 1.00 0.27 C ATOM 775 C ALA A 56 2.407 6.654 0.917 1.00 0.26 C ATOM 776 O ALA A 56 1.632 7.518 1.331 1.00 0.30 O ATOM 777 CB ALA A 56 2.590 4.606 2.320 1.00 0.29 C ATOM 0 H ALA A 56 3.205 3.676 0.127 1.00 0.26 H new ATOM 0 HA ALA A 56 0.964 5.081 1.015 1.00 0.27 H new ATOM 0 HB1 ALA A 56 2.190 5.172 3.161 1.00 0.29 H new ATOM 0 HB2 ALA A 56 2.290 3.562 2.410 1.00 0.29 H new ATOM 0 HB3 ALA A 56 3.678 4.673 2.323 1.00 0.29 H new ATOM 783 N VAL A 57 3.583 6.934 0.363 1.00 0.26 N ATOM 784 CA VAL A 57 4.008 8.306 0.152 1.00 0.27 C ATOM 785 C VAL A 57 3.077 9.002 -0.824 1.00 0.26 C ATOM 786 O VAL A 57 2.580 10.082 -0.542 1.00 0.30 O ATOM 787 CB VAL A 57 5.454 8.416 -0.372 1.00 0.28 C ATOM 788 CG1 VAL A 57 5.774 9.859 -0.670 1.00 0.33 C ATOM 789 CG2 VAL A 57 6.433 7.855 0.643 1.00 0.30 C ATOM 0 H VAL A 57 4.253 6.230 0.055 1.00 0.26 H new ATOM 0 HA VAL A 57 3.971 8.790 1.128 1.00 0.27 H new ATOM 0 HB VAL A 57 5.545 7.833 -1.288 1.00 0.28 H new ATOM 0 HG11 VAL A 57 6.796 9.936 -1.040 1.00 0.33 H new ATOM 0 HG12 VAL A 57 5.085 10.236 -1.426 1.00 0.33 H new ATOM 0 HG13 VAL A 57 5.672 10.450 0.240 1.00 0.33 H new ATOM 0 HG21 VAL A 57 7.448 7.941 0.256 1.00 0.30 H new ATOM 0 HG22 VAL A 57 6.351 8.414 1.575 1.00 0.30 H new ATOM 0 HG23 VAL A 57 6.203 6.806 0.829 1.00 0.30 H new ATOM 799 N TYR A 58 2.838 8.370 -1.966 1.00 0.25 N ATOM 800 CA TYR A 58 1.935 8.919 -2.972 1.00 0.27 C ATOM 801 C TYR A 58 0.556 9.159 -2.384 1.00 0.28 C ATOM 802 O TYR A 58 -0.099 10.144 -2.707 1.00 0.29 O ATOM 803 CB TYR A 58 1.821 7.978 -4.160 1.00 0.27 C ATOM 804 CG TYR A 58 3.022 7.984 -5.061 1.00 0.28 C ATOM 805 CD1 TYR A 58 3.196 8.987 -5.998 1.00 0.35 C ATOM 806 CD2 TYR A 58 3.979 6.987 -4.978 1.00 0.28 C ATOM 807 CE1 TYR A 58 4.295 9.003 -6.827 1.00 0.38 C ATOM 808 CE2 TYR A 58 5.082 6.993 -5.804 1.00 0.30 C ATOM 809 CZ TYR A 58 5.239 8.005 -6.727 1.00 0.33 C ATOM 810 OH TYR A 58 6.341 8.020 -7.549 1.00 0.37 O ATOM 0 H TYR A 58 3.257 7.475 -2.220 1.00 0.25 H new ATOM 0 HA TYR A 58 2.349 9.870 -3.307 1.00 0.27 H new ATOM 0 HB2 TYR A 58 1.660 6.964 -3.793 1.00 0.27 H new ATOM 0 HB3 TYR A 58 0.941 8.250 -4.743 1.00 0.27 H new ATOM 0 HD1 TYR A 58 2.457 9.771 -6.080 1.00 0.35 H new ATOM 0 HD2 TYR A 58 3.859 6.193 -4.256 1.00 0.28 H new ATOM 0 HE1 TYR A 58 4.416 9.794 -7.552 1.00 0.38 H new ATOM 0 HE2 TYR A 58 5.820 6.208 -5.729 1.00 0.30 H new ATOM 0 HH TYR A 58 6.909 7.247 -7.349 1.00 0.37 H new ATOM 820 N PHE A 59 0.131 8.255 -1.515 1.00 0.30 N ATOM 821 CA PHE A 59 -1.142 8.389 -0.823 1.00 0.32 C ATOM 822 C PHE A 59 -1.176 9.702 -0.040 1.00 0.35 C ATOM 823 O PHE A 59 -2.183 10.415 -0.030 1.00 0.42 O ATOM 824 CB PHE A 59 -1.342 7.198 0.109 1.00 0.33 C ATOM 825 CG PHE A 59 -2.741 7.064 0.643 1.00 0.35 C ATOM 826 CD1 PHE A 59 -3.148 7.783 1.753 1.00 0.49 C ATOM 827 CD2 PHE A 59 -3.646 6.214 0.031 1.00 0.29 C ATOM 828 CE1 PHE A 59 -4.432 7.661 2.243 1.00 0.56 C ATOM 829 CE2 PHE A 59 -4.932 6.087 0.517 1.00 0.35 C ATOM 830 CZ PHE A 59 -5.325 6.811 1.624 1.00 0.47 C ATOM 0 H PHE A 59 0.654 7.414 -1.271 1.00 0.30 H new ATOM 0 HA PHE A 59 -1.953 8.405 -1.551 1.00 0.32 H new ATOM 0 HB2 PHE A 59 -1.079 6.285 -0.425 1.00 0.33 H new ATOM 0 HB3 PHE A 59 -0.651 7.287 0.948 1.00 0.33 H new ATOM 0 HD1 PHE A 59 -2.452 8.448 2.242 1.00 0.49 H new ATOM 0 HD2 PHE A 59 -3.343 5.645 -0.835 1.00 0.29 H new ATOM 0 HE1 PHE A 59 -4.737 8.230 3.109 1.00 0.56 H new ATOM 0 HE2 PHE A 59 -5.630 5.421 0.031 1.00 0.35 H new ATOM 0 HZ PHE A 59 -6.331 6.712 2.005 1.00 0.47 H new ATOM 840 N GLU A 60 -0.058 10.022 0.599 1.00 0.34 N ATOM 841 CA GLU A 60 0.090 11.283 1.315 1.00 0.37 C ATOM 842 C GLU A 60 0.259 12.438 0.336 1.00 0.35 C ATOM 843 O GLU A 60 -0.200 13.554 0.578 1.00 0.41 O ATOM 844 CB GLU A 60 1.289 11.218 2.249 1.00 0.39 C ATOM 845 CG GLU A 60 1.131 10.191 3.350 1.00 0.44 C ATOM 846 CD GLU A 60 -0.080 10.444 4.223 1.00 0.91 C ATOM 847 OE1 GLU A 60 0.049 11.185 5.223 1.00 1.42 O ATOM 848 OE2 GLU A 60 -1.165 9.911 3.914 1.00 1.07 O ATOM 0 H GLU A 60 0.765 9.421 0.636 1.00 0.34 H new ATOM 0 HA GLU A 60 -0.812 11.452 1.903 1.00 0.37 H new ATOM 0 HB2 GLU A 60 2.182 10.985 1.669 1.00 0.39 H new ATOM 0 HB3 GLU A 60 1.447 12.199 2.696 1.00 0.39 H new ATOM 0 HG2 GLU A 60 1.051 9.199 2.906 1.00 0.44 H new ATOM 0 HG3 GLU A 60 2.027 10.191 3.971 1.00 0.44 H new ATOM 855 N LYS A 61 0.918 12.146 -0.780 1.00 0.32 N ATOM 856 CA LYS A 61 1.189 13.133 -1.817 1.00 0.33 C ATOM 857 C LYS A 61 -0.092 13.558 -2.534 1.00 0.35 C ATOM 858 O LYS A 61 -0.116 14.564 -3.244 1.00 0.40 O ATOM 859 CB LYS A 61 2.191 12.572 -2.831 1.00 0.33 C ATOM 860 CG LYS A 61 3.574 12.353 -2.244 1.00 0.48 C ATOM 861 CD LYS A 61 4.671 12.500 -3.283 1.00 0.49 C ATOM 862 CE LYS A 61 4.589 11.443 -4.371 1.00 0.36 C ATOM 863 NZ LYS A 61 5.682 11.614 -5.368 1.00 1.10 N ATOM 0 H LYS A 61 1.280 11.216 -0.991 1.00 0.32 H new ATOM 0 HA LYS A 61 1.615 14.013 -1.335 1.00 0.33 H new ATOM 0 HB2 LYS A 61 1.814 11.626 -3.220 1.00 0.33 H new ATOM 0 HB3 LYS A 61 2.266 13.257 -3.676 1.00 0.33 H new ATOM 0 HG2 LYS A 61 3.742 13.068 -1.438 1.00 0.48 H new ATOM 0 HG3 LYS A 61 3.626 11.358 -1.803 1.00 0.48 H new ATOM 0 HD2 LYS A 61 4.607 13.489 -3.737 1.00 0.49 H new ATOM 0 HD3 LYS A 61 5.642 12.437 -2.792 1.00 0.49 H new ATOM 0 HE2 LYS A 61 4.652 10.451 -3.924 1.00 0.36 H new ATOM 0 HE3 LYS A 61 3.623 11.506 -4.872 1.00 0.36 H new ATOM 0 HZ1 LYS A 61 5.866 10.706 -5.841 1.00 1.10 H new ATOM 0 HZ2 LYS A 61 5.399 12.322 -6.075 1.00 1.10 H new ATOM 0 HZ3 LYS A 61 6.546 11.933 -4.885 1.00 1.10 H new ATOM 877 N GLY A 62 -1.154 12.782 -2.351 1.00 0.34 N ATOM 878 CA GLY A 62 -2.409 13.062 -3.023 1.00 0.36 C ATOM 879 C GLY A 62 -2.551 12.254 -4.295 1.00 0.33 C ATOM 880 O GLY A 62 -3.541 12.372 -5.016 1.00 0.35 O ATOM 0 H GLY A 62 -1.168 11.961 -1.747 1.00 0.34 H new ATOM 0 HA2 GLY A 62 -3.239 12.837 -2.354 1.00 0.36 H new ATOM 0 HA3 GLY A 62 -2.468 14.125 -3.258 1.00 0.36 H new ATOM 884 N ASP A 63 -1.555 11.422 -4.555 1.00 0.31 N ATOM 885 CA ASP A 63 -1.524 10.588 -5.743 1.00 0.30 C ATOM 886 C ASP A 63 -2.027 9.190 -5.421 1.00 0.27 C ATOM 887 O ASP A 63 -1.247 8.244 -5.287 1.00 0.32 O ATOM 888 CB ASP A 63 -0.106 10.529 -6.307 1.00 0.32 C ATOM 889 CG ASP A 63 0.257 11.775 -7.085 1.00 0.84 C ATOM 890 OD1 ASP A 63 -0.387 12.046 -8.122 1.00 1.26 O ATOM 891 OD2 ASP A 63 1.197 12.487 -6.671 1.00 1.26 O ATOM 0 H ASP A 63 -0.745 11.307 -3.946 1.00 0.31 H new ATOM 0 HA ASP A 63 -2.180 11.025 -6.496 1.00 0.30 H new ATOM 0 HB2 ASP A 63 0.602 10.395 -5.489 1.00 0.32 H new ATOM 0 HB3 ASP A 63 -0.012 9.658 -6.956 1.00 0.32 H new ATOM 896 N TYR A 64 -3.338 9.066 -5.302 1.00 0.27 N ATOM 897 CA TYR A 64 -3.959 7.809 -4.905 1.00 0.28 C ATOM 898 C TYR A 64 -3.870 6.785 -6.028 1.00 0.29 C ATOM 899 O TYR A 64 -3.780 5.582 -5.778 1.00 0.34 O ATOM 900 CB TYR A 64 -5.418 8.045 -4.498 1.00 0.29 C ATOM 901 CG TYR A 64 -5.555 9.068 -3.393 1.00 0.32 C ATOM 902 CD1 TYR A 64 -5.209 8.754 -2.085 1.00 0.33 C ATOM 903 CD2 TYR A 64 -6.005 10.353 -3.663 1.00 0.35 C ATOM 904 CE1 TYR A 64 -5.310 9.691 -1.077 1.00 0.36 C ATOM 905 CE2 TYR A 64 -6.105 11.298 -2.659 1.00 0.39 C ATOM 906 CZ TYR A 64 -5.756 10.961 -1.369 1.00 0.38 C ATOM 907 OH TYR A 64 -5.847 11.898 -0.367 1.00 0.43 O ATOM 0 H TYR A 64 -3.998 9.824 -5.475 1.00 0.27 H new ATOM 0 HA TYR A 64 -3.420 7.412 -4.045 1.00 0.28 H new ATOM 0 HB2 TYR A 64 -5.985 8.377 -5.368 1.00 0.29 H new ATOM 0 HB3 TYR A 64 -5.857 7.102 -4.172 1.00 0.29 H new ATOM 0 HD1 TYR A 64 -4.855 7.760 -1.853 1.00 0.33 H new ATOM 0 HD2 TYR A 64 -6.281 10.619 -4.673 1.00 0.35 H new ATOM 0 HE1 TYR A 64 -5.041 9.430 -0.064 1.00 0.36 H new ATOM 0 HE2 TYR A 64 -6.455 12.295 -2.884 1.00 0.39 H new ATOM 0 HH TYR A 64 -6.177 12.743 -0.738 1.00 0.43 H new ATOM 917 N ASN A 65 -3.863 7.272 -7.261 1.00 0.31 N ATOM 918 CA ASN A 65 -3.753 6.402 -8.422 1.00 0.37 C ATOM 919 C ASN A 65 -2.390 5.720 -8.450 1.00 0.33 C ATOM 920 O ASN A 65 -2.284 4.537 -8.767 1.00 0.34 O ATOM 921 CB ASN A 65 -3.992 7.189 -9.710 1.00 0.47 C ATOM 922 CG ASN A 65 -3.884 6.328 -10.957 1.00 1.17 C ATOM 923 OD1 ASN A 65 -4.848 5.677 -11.364 1.00 1.66 O ATOM 924 ND2 ASN A 65 -2.723 6.342 -11.591 1.00 2.18 N ATOM 0 H ASN A 65 -3.932 8.265 -7.482 1.00 0.31 H new ATOM 0 HA ASN A 65 -4.520 5.631 -8.349 1.00 0.37 H new ATOM 0 HB2 ASN A 65 -4.982 7.644 -9.673 1.00 0.47 H new ATOM 0 HB3 ASN A 65 -3.269 8.002 -9.772 1.00 0.47 H new ATOM 0 HD21 ASN A 65 -2.603 5.801 -12.448 1.00 2.18 H new ATOM 0 HD22 ASN A 65 -1.948 6.893 -11.223 1.00 2.18 H new ATOM 931 N LYS A 66 -1.347 6.461 -8.097 1.00 0.34 N ATOM 932 CA LYS A 66 -0.007 5.896 -8.044 1.00 0.32 C ATOM 933 C LYS A 66 0.154 5.000 -6.821 1.00 0.31 C ATOM 934 O LYS A 66 0.916 4.034 -6.843 1.00 0.32 O ATOM 935 CB LYS A 66 1.051 6.986 -7.999 1.00 0.29 C ATOM 936 CG LYS A 66 2.459 6.443 -8.156 1.00 0.40 C ATOM 937 CD LYS A 66 2.702 5.850 -9.530 1.00 0.63 C ATOM 938 CE LYS A 66 4.127 5.337 -9.648 1.00 0.42 C ATOM 939 NZ LYS A 66 4.453 4.889 -11.029 1.00 0.68 N ATOM 0 H LYS A 66 -1.403 7.448 -7.845 1.00 0.34 H new ATOM 0 HA LYS A 66 0.129 5.306 -8.950 1.00 0.32 H new ATOM 0 HB2 LYS A 66 0.855 7.710 -8.790 1.00 0.29 H new ATOM 0 HB3 LYS A 66 0.976 7.521 -7.052 1.00 0.29 H new ATOM 0 HG2 LYS A 66 3.176 7.244 -7.978 1.00 0.40 H new ATOM 0 HG3 LYS A 66 2.638 5.681 -7.398 1.00 0.40 H new ATOM 0 HD2 LYS A 66 2.001 5.035 -9.709 1.00 0.63 H new ATOM 0 HD3 LYS A 66 2.517 6.604 -10.295 1.00 0.63 H new ATOM 0 HE2 LYS A 66 4.820 6.124 -9.351 1.00 0.42 H new ATOM 0 HE3 LYS A 66 4.271 4.507 -8.956 1.00 0.42 H new ATOM 0 HZ1 LYS A 66 5.435 4.548 -11.061 1.00 0.68 H new ATOM 0 HZ2 LYS A 66 3.810 4.120 -11.305 1.00 0.68 H new ATOM 0 HZ3 LYS A 66 4.342 5.686 -11.688 1.00 0.68 H new ATOM 953 N CYS A 67 -0.553 5.329 -5.751 1.00 0.31 N ATOM 954 CA CYS A 67 -0.501 4.527 -4.540 1.00 0.32 C ATOM 955 C CYS A 67 -1.009 3.114 -4.816 1.00 0.36 C ATOM 956 O CYS A 67 -0.331 2.132 -4.511 1.00 0.39 O ATOM 957 CB CYS A 67 -1.315 5.185 -3.425 1.00 0.33 C ATOM 958 SG CYS A 67 -1.495 4.166 -1.944 1.00 1.29 S ATOM 0 H CYS A 67 -1.167 6.142 -5.697 1.00 0.31 H new ATOM 0 HA CYS A 67 0.536 4.462 -4.212 1.00 0.32 H new ATOM 0 HB2 CYS A 67 -0.840 6.126 -3.150 1.00 0.33 H new ATOM 0 HB3 CYS A 67 -2.306 5.428 -3.808 1.00 0.33 H new ATOM 0 HG CYS A 67 -2.744 3.838 -1.792 1.00 1.29 H new ATOM 964 N ARG A 68 -2.187 3.009 -5.420 1.00 0.38 N ATOM 965 CA ARG A 68 -2.742 1.708 -5.761 1.00 0.45 C ATOM 966 C ARG A 68 -1.913 1.047 -6.866 1.00 0.42 C ATOM 967 O ARG A 68 -1.874 -0.179 -6.976 1.00 0.48 O ATOM 968 CB ARG A 68 -4.218 1.839 -6.155 1.00 0.60 C ATOM 969 CG ARG A 68 -4.478 2.688 -7.383 1.00 1.00 C ATOM 970 CD ARG A 68 -4.413 1.855 -8.651 1.00 1.21 C ATOM 971 NE ARG A 68 -4.622 2.653 -9.854 1.00 1.92 N ATOM 972 CZ ARG A 68 -4.549 2.160 -11.087 1.00 2.48 C ATOM 973 NH1 ARG A 68 -4.305 0.867 -11.275 1.00 2.64 N ATOM 974 NH2 ARG A 68 -4.729 2.958 -12.131 1.00 3.39 N ATOM 0 H ARG A 68 -2.771 3.803 -5.681 1.00 0.38 H new ATOM 0 HA ARG A 68 -2.695 1.062 -4.884 1.00 0.45 H new ATOM 0 HB2 ARG A 68 -4.622 0.842 -6.328 1.00 0.60 H new ATOM 0 HB3 ARG A 68 -4.767 2.264 -5.315 1.00 0.60 H new ATOM 0 HG2 ARG A 68 -5.459 3.157 -7.303 1.00 1.00 H new ATOM 0 HG3 ARG A 68 -3.743 3.492 -7.435 1.00 1.00 H new ATOM 0 HD2 ARG A 68 -3.442 1.363 -8.709 1.00 1.21 H new ATOM 0 HD3 ARG A 68 -5.167 1.069 -8.605 1.00 1.21 H new ATOM 0 HE ARG A 68 -4.836 3.644 -9.743 1.00 1.92 H new ATOM 0 HH11 ARG A 68 -4.173 0.251 -10.473 1.00 2.64 H new ATOM 0 HH12 ARG A 68 -4.249 0.491 -12.221 1.00 2.64 H new ATOM 0 HH21 ARG A 68 -4.923 3.949 -11.988 1.00 3.39 H new ATOM 0 HH22 ARG A 68 -4.673 2.581 -13.077 1.00 3.39 H new ATOM 988 N GLU A 69 -1.257 1.881 -7.670 1.00 0.38 N ATOM 989 CA GLU A 69 -0.329 1.420 -8.701 1.00 0.37 C ATOM 990 C GLU A 69 0.783 0.579 -8.084 1.00 0.31 C ATOM 991 O GLU A 69 0.962 -0.596 -8.420 1.00 0.34 O ATOM 992 CB GLU A 69 0.296 2.629 -9.418 1.00 0.38 C ATOM 993 CG GLU A 69 1.388 2.272 -10.415 1.00 0.67 C ATOM 994 CD GLU A 69 0.859 1.573 -11.646 1.00 1.20 C ATOM 995 OE1 GLU A 69 0.471 2.263 -12.610 1.00 1.19 O ATOM 996 OE2 GLU A 69 0.816 0.325 -11.651 1.00 2.08 O ATOM 0 H GLU A 69 -1.354 2.895 -7.625 1.00 0.38 H new ATOM 0 HA GLU A 69 -0.884 0.811 -9.415 1.00 0.37 H new ATOM 0 HB2 GLU A 69 -0.491 3.174 -9.939 1.00 0.38 H new ATOM 0 HB3 GLU A 69 0.710 3.305 -8.670 1.00 0.38 H new ATOM 0 HG2 GLU A 69 1.909 3.181 -10.716 1.00 0.67 H new ATOM 0 HG3 GLU A 69 2.122 1.631 -9.927 1.00 0.67 H new ATOM 1003 N LEU A 70 1.511 1.192 -7.164 1.00 0.24 N ATOM 1004 CA LEU A 70 2.690 0.579 -6.579 1.00 0.21 C ATOM 1005 C LEU A 70 2.333 -0.529 -5.601 1.00 0.22 C ATOM 1006 O LEU A 70 3.098 -1.470 -5.433 1.00 0.23 O ATOM 1007 CB LEU A 70 3.534 1.634 -5.871 1.00 0.20 C ATOM 1008 CG LEU A 70 4.177 2.682 -6.775 1.00 0.21 C ATOM 1009 CD1 LEU A 70 4.977 3.656 -5.933 1.00 0.22 C ATOM 1010 CD2 LEU A 70 5.067 2.022 -7.817 1.00 0.24 C ATOM 0 H LEU A 70 1.302 2.123 -6.804 1.00 0.24 H new ATOM 0 HA LEU A 70 3.261 0.134 -7.394 1.00 0.21 H new ATOM 0 HB2 LEU A 70 2.906 2.146 -5.142 1.00 0.20 H new ATOM 0 HB3 LEU A 70 4.323 1.128 -5.314 1.00 0.20 H new ATOM 0 HG LEU A 70 3.392 3.225 -7.301 1.00 0.21 H new ATOM 0 HD11 LEU A 70 5.436 4.404 -6.579 1.00 0.22 H new ATOM 0 HD12 LEU A 70 4.316 4.149 -5.220 1.00 0.22 H new ATOM 0 HD13 LEU A 70 5.755 3.116 -5.393 1.00 0.22 H new ATOM 0 HD21 LEU A 70 5.515 2.788 -8.450 1.00 0.24 H new ATOM 0 HD22 LEU A 70 5.855 1.457 -7.318 1.00 0.24 H new ATOM 0 HD23 LEU A 70 4.470 1.347 -8.431 1.00 0.24 H new ATOM 1022 N CYS A 71 1.183 -0.426 -4.954 1.00 0.24 N ATOM 1023 CA CYS A 71 0.780 -1.444 -3.994 1.00 0.25 C ATOM 1024 C CYS A 71 0.530 -2.786 -4.677 1.00 0.24 C ATOM 1025 O CYS A 71 1.030 -3.806 -4.219 1.00 0.23 O ATOM 1026 CB CYS A 71 -0.445 -1.000 -3.206 1.00 0.32 C ATOM 1027 SG CYS A 71 -0.154 0.390 -2.090 1.00 1.10 S ATOM 0 H CYS A 71 0.520 0.340 -5.072 1.00 0.24 H new ATOM 0 HA CYS A 71 1.603 -1.577 -3.292 1.00 0.25 H new ATOM 0 HB2 CYS A 71 -1.233 -0.727 -3.908 1.00 0.32 H new ATOM 0 HB3 CYS A 71 -0.814 -1.845 -2.625 1.00 0.32 H new ATOM 0 HG CYS A 71 -0.413 1.504 -2.708 1.00 1.10 H new ATOM 1033 N GLU A 72 -0.219 -2.789 -5.780 1.00 0.25 N ATOM 1034 CA GLU A 72 -0.441 -4.020 -6.541 1.00 0.26 C ATOM 1035 C GLU A 72 0.873 -4.511 -7.143 1.00 0.23 C ATOM 1036 O GLU A 72 1.070 -5.707 -7.318 1.00 0.25 O ATOM 1037 CB GLU A 72 -1.469 -3.792 -7.647 1.00 0.34 C ATOM 1038 CG GLU A 72 -2.734 -4.631 -7.508 1.00 0.87 C ATOM 1039 CD GLU A 72 -2.498 -6.121 -7.708 1.00 1.36 C ATOM 1040 OE1 GLU A 72 -2.127 -6.530 -8.832 1.00 1.68 O ATOM 1041 OE2 GLU A 72 -2.698 -6.896 -6.748 1.00 2.09 O ATOM 0 H GLU A 72 -0.678 -1.963 -6.164 1.00 0.25 H new ATOM 0 HA GLU A 72 -0.826 -4.779 -5.861 1.00 0.26 H new ATOM 0 HB2 GLU A 72 -1.745 -2.738 -7.659 1.00 0.34 H new ATOM 0 HB3 GLU A 72 -1.005 -4.011 -8.609 1.00 0.34 H new ATOM 0 HG2 GLU A 72 -3.162 -4.468 -6.519 1.00 0.87 H new ATOM 0 HG3 GLU A 72 -3.471 -4.287 -8.234 1.00 0.87 H new ATOM 1048 N LYS A 73 1.771 -3.578 -7.448 1.00 0.23 N ATOM 1049 CA LYS A 73 3.101 -3.926 -7.931 1.00 0.23 C ATOM 1050 C LYS A 73 3.879 -4.637 -6.833 1.00 0.20 C ATOM 1051 O LYS A 73 4.461 -5.696 -7.057 1.00 0.21 O ATOM 1052 CB LYS A 73 3.860 -2.671 -8.391 1.00 0.27 C ATOM 1053 CG LYS A 73 5.343 -2.893 -8.695 1.00 0.33 C ATOM 1054 CD LYS A 73 5.602 -3.474 -10.086 1.00 0.57 C ATOM 1055 CE LYS A 73 5.062 -4.887 -10.244 1.00 0.60 C ATOM 1056 NZ LYS A 73 5.557 -5.538 -11.482 1.00 1.23 N ATOM 0 H LYS A 73 1.600 -2.576 -7.369 1.00 0.23 H new ATOM 0 HA LYS A 73 2.996 -4.593 -8.786 1.00 0.23 H new ATOM 0 HB2 LYS A 73 3.375 -2.278 -9.285 1.00 0.27 H new ATOM 0 HB3 LYS A 73 3.772 -1.907 -7.618 1.00 0.27 H new ATOM 0 HG2 LYS A 73 5.870 -1.944 -8.603 1.00 0.33 H new ATOM 0 HG3 LYS A 73 5.762 -3.565 -7.946 1.00 0.33 H new ATOM 0 HD2 LYS A 73 5.144 -2.829 -10.835 1.00 0.57 H new ATOM 0 HD3 LYS A 73 6.675 -3.476 -10.280 1.00 0.57 H new ATOM 0 HE2 LYS A 73 5.352 -5.484 -9.380 1.00 0.60 H new ATOM 0 HE3 LYS A 73 3.972 -4.859 -10.260 1.00 0.60 H new ATOM 0 HZ1 LYS A 73 5.178 -6.505 -11.541 1.00 1.23 H new ATOM 0 HZ2 LYS A 73 5.244 -4.992 -12.310 1.00 1.23 H new ATOM 0 HZ3 LYS A 73 6.596 -5.574 -11.464 1.00 1.23 H new ATOM 1070 N ALA A 74 3.872 -4.045 -5.648 1.00 0.19 N ATOM 1071 CA ALA A 74 4.508 -4.634 -4.485 1.00 0.17 C ATOM 1072 C ALA A 74 3.896 -5.978 -4.174 1.00 0.16 C ATOM 1073 O ALA A 74 4.603 -6.941 -3.926 1.00 0.16 O ATOM 1074 CB ALA A 74 4.383 -3.710 -3.291 1.00 0.18 C ATOM 0 H ALA A 74 3.426 -3.145 -5.468 1.00 0.19 H new ATOM 0 HA ALA A 74 5.566 -4.777 -4.705 1.00 0.17 H new ATOM 0 HB1 ALA A 74 4.865 -4.166 -2.426 1.00 0.18 H new ATOM 0 HB2 ALA A 74 4.865 -2.758 -3.515 1.00 0.18 H new ATOM 0 HB3 ALA A 74 3.329 -3.540 -3.071 1.00 0.18 H new ATOM 1080 N ILE A 75 2.575 -6.039 -4.196 1.00 0.16 N ATOM 1081 CA ILE A 75 1.878 -7.284 -3.953 1.00 0.16 C ATOM 1082 C ILE A 75 2.240 -8.307 -5.008 1.00 0.17 C ATOM 1083 O ILE A 75 2.487 -9.459 -4.686 1.00 0.18 O ATOM 1084 CB ILE A 75 0.354 -7.102 -3.918 1.00 0.19 C ATOM 1085 CG1 ILE A 75 -0.045 -6.221 -2.741 1.00 0.20 C ATOM 1086 CG2 ILE A 75 -0.334 -8.452 -3.827 1.00 0.23 C ATOM 1087 CD1 ILE A 75 -1.536 -6.040 -2.607 1.00 0.23 C ATOM 0 H ILE A 75 1.967 -5.241 -4.380 1.00 0.16 H new ATOM 0 HA ILE A 75 2.195 -7.637 -2.972 1.00 0.16 H new ATOM 0 HB ILE A 75 0.038 -6.613 -4.840 1.00 0.19 H new ATOM 0 HG12 ILE A 75 0.345 -6.658 -1.821 1.00 0.20 H new ATOM 0 HG13 ILE A 75 0.424 -5.243 -2.853 1.00 0.20 H new ATOM 0 HG21 ILE A 75 -1.414 -8.309 -3.803 1.00 0.23 H new ATOM 0 HG22 ILE A 75 -0.067 -9.056 -4.695 1.00 0.23 H new ATOM 0 HG23 ILE A 75 -0.015 -8.962 -2.918 1.00 0.23 H new ATOM 0 HD11 ILE A 75 -1.749 -5.402 -1.749 1.00 0.23 H new ATOM 0 HD12 ILE A 75 -1.929 -5.575 -3.511 1.00 0.23 H new ATOM 0 HD13 ILE A 75 -2.009 -7.011 -2.463 1.00 0.23 H new ATOM 1099 N GLU A 76 2.285 -7.879 -6.262 1.00 0.18 N ATOM 1100 CA GLU A 76 2.694 -8.756 -7.348 1.00 0.21 C ATOM 1101 C GLU A 76 4.072 -9.330 -7.049 1.00 0.20 C ATOM 1102 O GLU A 76 4.289 -10.531 -7.143 1.00 0.24 O ATOM 1103 CB GLU A 76 2.718 -7.984 -8.667 1.00 0.24 C ATOM 1104 CG GLU A 76 2.916 -8.859 -9.892 1.00 0.77 C ATOM 1105 CD GLU A 76 2.899 -8.063 -11.179 1.00 1.47 C ATOM 1106 OE1 GLU A 76 1.806 -7.857 -11.742 1.00 1.62 O ATOM 1107 OE2 GLU A 76 3.979 -7.636 -11.636 1.00 2.35 O ATOM 0 H GLU A 76 2.044 -6.931 -6.551 1.00 0.18 H new ATOM 0 HA GLU A 76 1.979 -9.573 -7.438 1.00 0.21 H new ATOM 0 HB2 GLU A 76 1.782 -7.436 -8.772 1.00 0.24 H new ATOM 0 HB3 GLU A 76 3.518 -7.244 -8.629 1.00 0.24 H new ATOM 0 HG2 GLU A 76 3.865 -9.388 -9.808 1.00 0.77 H new ATOM 0 HG3 GLU A 76 2.132 -9.615 -9.925 1.00 0.77 H new ATOM 1114 N VAL A 77 4.979 -8.445 -6.659 1.00 0.21 N ATOM 1115 CA VAL A 77 6.331 -8.813 -6.257 1.00 0.22 C ATOM 1116 C VAL A 77 6.321 -9.765 -5.061 1.00 0.21 C ATOM 1117 O VAL A 77 7.005 -10.792 -5.063 1.00 0.24 O ATOM 1118 CB VAL A 77 7.128 -7.536 -5.897 1.00 0.22 C ATOM 1119 CG1 VAL A 77 8.407 -7.857 -5.141 1.00 0.22 C ATOM 1120 CG2 VAL A 77 7.437 -6.732 -7.147 1.00 0.25 C ATOM 0 H VAL A 77 4.796 -7.443 -6.612 1.00 0.21 H new ATOM 0 HA VAL A 77 6.805 -9.327 -7.093 1.00 0.22 H new ATOM 0 HB VAL A 77 6.501 -6.937 -5.236 1.00 0.22 H new ATOM 0 HG11 VAL A 77 8.934 -6.932 -4.909 1.00 0.22 H new ATOM 0 HG12 VAL A 77 8.162 -8.377 -4.215 1.00 0.22 H new ATOM 0 HG13 VAL A 77 9.044 -8.493 -5.756 1.00 0.22 H new ATOM 0 HG21 VAL A 77 7.998 -5.838 -6.875 1.00 0.25 H new ATOM 0 HG22 VAL A 77 8.030 -7.338 -7.832 1.00 0.25 H new ATOM 0 HG23 VAL A 77 6.505 -6.442 -7.633 1.00 0.25 H new ATOM 1130 N GLY A 78 5.536 -9.418 -4.053 1.00 0.19 N ATOM 1131 CA GLY A 78 5.488 -10.194 -2.833 1.00 0.21 C ATOM 1132 C GLY A 78 4.878 -11.559 -3.041 1.00 0.21 C ATOM 1133 O GLY A 78 5.488 -12.565 -2.714 1.00 0.27 O ATOM 0 H GLY A 78 4.924 -8.602 -4.060 1.00 0.19 H new ATOM 0 HA2 GLY A 78 6.498 -10.307 -2.438 1.00 0.21 H new ATOM 0 HA3 GLY A 78 4.911 -9.652 -2.084 1.00 0.21 H new ATOM 1137 N ARG A 79 3.686 -11.597 -3.613 1.00 0.21 N ATOM 1138 CA ARG A 79 2.982 -12.851 -3.854 1.00 0.28 C ATOM 1139 C ARG A 79 3.748 -13.701 -4.867 1.00 0.28 C ATOM 1140 O ARG A 79 3.570 -14.915 -4.947 1.00 0.33 O ATOM 1141 CB ARG A 79 1.553 -12.563 -4.326 1.00 0.39 C ATOM 1142 CG ARG A 79 1.460 -12.017 -5.734 1.00 0.81 C ATOM 1143 CD ARG A 79 0.058 -11.520 -6.032 1.00 0.89 C ATOM 1144 NE ARG A 79 -0.029 -10.842 -7.329 1.00 1.57 N ATOM 1145 CZ ARG A 79 -0.729 -9.721 -7.536 1.00 2.03 C ATOM 1146 NH1 ARG A 79 -1.502 -9.236 -6.575 1.00 2.20 N ATOM 1147 NH2 ARG A 79 -0.682 -9.104 -8.709 1.00 2.63 N ATOM 0 H ARG A 79 3.180 -10.767 -3.922 1.00 0.21 H new ATOM 0 HA ARG A 79 2.923 -13.418 -2.925 1.00 0.28 H new ATOM 0 HB2 ARG A 79 0.971 -13.483 -4.266 1.00 0.39 H new ATOM 0 HB3 ARG A 79 1.094 -11.850 -3.641 1.00 0.39 H new ATOM 0 HG2 ARG A 79 2.173 -11.202 -5.860 1.00 0.81 H new ATOM 0 HG3 ARG A 79 1.734 -12.794 -6.448 1.00 0.81 H new ATOM 0 HD2 ARG A 79 -0.634 -12.362 -6.018 1.00 0.89 H new ATOM 0 HD3 ARG A 79 -0.257 -10.835 -5.245 1.00 0.89 H new ATOM 0 HE ARG A 79 0.473 -11.248 -8.119 1.00 1.57 H new ATOM 0 HH11 ARG A 79 -1.563 -9.717 -5.678 1.00 2.20 H new ATOM 0 HH12 ARG A 79 -2.036 -8.381 -6.733 1.00 2.20 H new ATOM 0 HH21 ARG A 79 -0.109 -9.484 -9.462 1.00 2.63 H new ATOM 0 HH22 ARG A 79 -1.219 -8.250 -8.858 1.00 2.63 H new ATOM 1161 N GLU A 80 4.610 -13.044 -5.631 1.00 0.27 N ATOM 1162 CA GLU A 80 5.519 -13.723 -6.542 1.00 0.32 C ATOM 1163 C GLU A 80 6.630 -14.419 -5.767 1.00 0.31 C ATOM 1164 O GLU A 80 6.932 -15.587 -5.999 1.00 0.37 O ATOM 1165 CB GLU A 80 6.133 -12.712 -7.509 1.00 0.36 C ATOM 1166 CG GLU A 80 7.182 -13.298 -8.429 1.00 0.57 C ATOM 1167 CD GLU A 80 7.516 -12.381 -9.582 1.00 1.18 C ATOM 1168 OE1 GLU A 80 6.773 -12.386 -10.585 1.00 1.22 O ATOM 1169 OE2 GLU A 80 8.520 -11.645 -9.490 1.00 1.96 O ATOM 0 H GLU A 80 4.698 -12.028 -5.636 1.00 0.27 H new ATOM 0 HA GLU A 80 4.955 -14.470 -7.101 1.00 0.32 H new ATOM 0 HB2 GLU A 80 5.339 -12.274 -8.113 1.00 0.36 H new ATOM 0 HB3 GLU A 80 6.581 -11.901 -6.935 1.00 0.36 H new ATOM 0 HG2 GLU A 80 8.088 -13.504 -7.858 1.00 0.57 H new ATOM 0 HG3 GLU A 80 6.827 -14.252 -8.819 1.00 0.57 H new ATOM 1176 N ASN A 81 7.223 -13.687 -4.840 1.00 0.29 N ATOM 1177 CA ASN A 81 8.358 -14.183 -4.069 1.00 0.35 C ATOM 1178 C ASN A 81 7.886 -14.886 -2.795 1.00 0.35 C ATOM 1179 O ASN A 81 8.692 -15.292 -1.960 1.00 0.49 O ATOM 1180 CB ASN A 81 9.285 -13.014 -3.738 1.00 0.40 C ATOM 1181 CG ASN A 81 10.674 -13.446 -3.299 1.00 0.55 C ATOM 1182 OD1 ASN A 81 10.941 -13.620 -2.111 1.00 1.35 O ATOM 1183 ND2 ASN A 81 11.575 -13.604 -4.258 1.00 1.13 N ATOM 0 H ASN A 81 6.937 -12.738 -4.599 1.00 0.29 H new ATOM 0 HA ASN A 81 8.904 -14.917 -4.662 1.00 0.35 H new ATOM 0 HB2 ASN A 81 9.373 -12.371 -4.614 1.00 0.40 H new ATOM 0 HB3 ASN A 81 8.833 -12.415 -2.948 1.00 0.40 H new ATOM 0 HD21 ASN A 81 12.528 -13.879 -4.022 1.00 1.13 H new ATOM 0 HD22 ASN A 81 11.315 -13.450 -5.232 1.00 1.13 H new ATOM 1190 N ARG A 82 6.567 -15.032 -2.673 1.00 0.32 N ATOM 1191 CA ARG A 82 5.939 -15.674 -1.518 1.00 0.37 C ATOM 1192 C ARG A 82 6.222 -14.886 -0.238 1.00 0.32 C ATOM 1193 O ARG A 82 6.429 -15.457 0.836 1.00 0.38 O ATOM 1194 CB ARG A 82 6.399 -17.129 -1.381 1.00 0.47 C ATOM 1195 CG ARG A 82 6.080 -17.983 -2.601 1.00 1.04 C ATOM 1196 CD ARG A 82 4.596 -17.962 -2.935 1.00 1.99 C ATOM 1197 NE ARG A 82 4.291 -18.761 -4.122 1.00 2.83 N ATOM 1198 CZ ARG A 82 3.211 -18.588 -4.888 1.00 3.77 C ATOM 1199 NH1 ARG A 82 2.321 -17.646 -4.592 1.00 4.01 N ATOM 1200 NH2 ARG A 82 3.023 -19.361 -5.950 1.00 4.67 N ATOM 0 H ARG A 82 5.902 -14.707 -3.375 1.00 0.32 H new ATOM 0 HA ARG A 82 4.861 -15.679 -1.679 1.00 0.37 H new ATOM 0 HB2 ARG A 82 7.475 -17.147 -1.206 1.00 0.47 H new ATOM 0 HB3 ARG A 82 5.926 -17.571 -0.504 1.00 0.47 H new ATOM 0 HG2 ARG A 82 6.650 -17.621 -3.457 1.00 1.04 H new ATOM 0 HG3 ARG A 82 6.397 -19.010 -2.418 1.00 1.04 H new ATOM 0 HD2 ARG A 82 4.028 -18.342 -2.086 1.00 1.99 H new ATOM 0 HD3 ARG A 82 4.275 -16.933 -3.098 1.00 1.99 H new ATOM 0 HE ARG A 82 4.946 -19.498 -4.381 1.00 2.83 H new ATOM 0 HH11 ARG A 82 2.461 -17.050 -3.776 1.00 4.01 H new ATOM 0 HH12 ARG A 82 1.498 -17.519 -5.181 1.00 4.01 H new ATOM 0 HH21 ARG A 82 3.703 -20.086 -6.180 1.00 4.67 H new ATOM 0 HH22 ARG A 82 2.199 -19.230 -6.536 1.00 4.67 H new ATOM 1214 N GLU A 83 6.214 -13.567 -0.377 1.00 0.27 N ATOM 1215 CA GLU A 83 6.453 -12.645 0.724 1.00 0.27 C ATOM 1216 C GLU A 83 5.217 -12.560 1.621 1.00 0.25 C ATOM 1217 O GLU A 83 4.154 -13.076 1.267 1.00 0.25 O ATOM 1218 CB GLU A 83 6.822 -11.264 0.165 1.00 0.28 C ATOM 1219 CG GLU A 83 7.284 -10.252 1.207 1.00 0.43 C ATOM 1220 CD GLU A 83 8.401 -10.773 2.089 1.00 0.94 C ATOM 1221 OE1 GLU A 83 9.582 -10.642 1.704 1.00 1.15 O ATOM 1222 OE2 GLU A 83 8.104 -11.318 3.173 1.00 1.60 O ATOM 0 H GLU A 83 6.039 -13.102 -1.268 1.00 0.27 H new ATOM 0 HA GLU A 83 7.283 -13.010 1.329 1.00 0.27 H new ATOM 0 HB2 GLU A 83 7.612 -11.387 -0.576 1.00 0.28 H new ATOM 0 HB3 GLU A 83 5.956 -10.856 -0.357 1.00 0.28 H new ATOM 0 HG2 GLU A 83 7.621 -9.347 0.701 1.00 0.43 H new ATOM 0 HG3 GLU A 83 6.437 -9.971 1.832 1.00 0.43 H new ATOM 1229 N ASP A 84 5.380 -11.943 2.787 1.00 0.26 N ATOM 1230 CA ASP A 84 4.318 -11.836 3.785 1.00 0.26 C ATOM 1231 C ASP A 84 2.983 -11.390 3.194 1.00 0.25 C ATOM 1232 O ASP A 84 2.850 -10.281 2.675 1.00 0.26 O ATOM 1233 CB ASP A 84 4.719 -10.870 4.889 1.00 0.29 C ATOM 1234 CG ASP A 84 3.702 -10.871 6.007 1.00 0.44 C ATOM 1235 OD1 ASP A 84 3.278 -11.970 6.426 1.00 0.82 O ATOM 1236 OD2 ASP A 84 3.309 -9.781 6.463 1.00 0.68 O ATOM 0 H ASP A 84 6.255 -11.501 3.069 1.00 0.26 H new ATOM 0 HA ASP A 84 4.182 -12.839 4.189 1.00 0.26 H new ATOM 0 HB2 ASP A 84 5.697 -11.148 5.282 1.00 0.29 H new ATOM 0 HB3 ASP A 84 4.814 -9.864 4.480 1.00 0.29 H new ATOM 1241 N TYR A 85 1.993 -12.264 3.306 1.00 0.26 N ATOM 1242 CA TYR A 85 0.651 -11.980 2.817 1.00 0.26 C ATOM 1243 C TYR A 85 -0.077 -11.021 3.755 1.00 0.27 C ATOM 1244 O TYR A 85 -1.019 -10.339 3.356 1.00 0.26 O ATOM 1245 CB TYR A 85 -0.147 -13.275 2.685 1.00 0.27 C ATOM 1246 CG TYR A 85 -0.334 -13.995 4.003 1.00 0.29 C ATOM 1247 CD1 TYR A 85 -1.382 -13.665 4.852 1.00 0.34 C ATOM 1248 CD2 TYR A 85 0.542 -14.992 4.402 1.00 0.33 C ATOM 1249 CE1 TYR A 85 -1.548 -14.306 6.059 1.00 0.37 C ATOM 1250 CE2 TYR A 85 0.381 -15.640 5.610 1.00 0.37 C ATOM 1251 CZ TYR A 85 -0.664 -15.293 6.435 1.00 0.38 C ATOM 1252 OH TYR A 85 -0.825 -15.927 7.646 1.00 0.44 O ATOM 0 H TYR A 85 2.096 -13.184 3.735 1.00 0.26 H new ATOM 0 HA TYR A 85 0.740 -11.510 1.838 1.00 0.26 H new ATOM 0 HB2 TYR A 85 -1.125 -13.050 2.259 1.00 0.27 H new ATOM 0 HB3 TYR A 85 0.361 -13.938 1.985 1.00 0.27 H new ATOM 0 HD1 TYR A 85 -2.078 -12.893 4.561 1.00 0.34 H new ATOM 0 HD2 TYR A 85 1.364 -15.266 3.757 1.00 0.33 H new ATOM 0 HE1 TYR A 85 -2.368 -14.036 6.708 1.00 0.37 H new ATOM 0 HE2 TYR A 85 1.072 -16.416 5.906 1.00 0.37 H new ATOM 0 HH TYR A 85 -0.120 -16.598 7.760 1.00 0.44 H new ATOM 1262 N ARG A 86 0.350 -10.987 5.014 1.00 0.30 N ATOM 1263 CA ARG A 86 -0.254 -10.098 5.997 1.00 0.33 C ATOM 1264 C ARG A 86 0.079 -8.660 5.632 1.00 0.32 C ATOM 1265 O ARG A 86 -0.745 -7.756 5.772 1.00 0.32 O ATOM 1266 CB ARG A 86 0.241 -10.443 7.397 1.00 0.40 C ATOM 1267 CG ARG A 86 0.044 -11.906 7.734 1.00 0.44 C ATOM 1268 CD ARG A 86 0.318 -12.192 9.191 1.00 0.55 C ATOM 1269 NE ARG A 86 0.083 -13.597 9.512 1.00 1.57 N ATOM 1270 CZ ARG A 86 0.707 -14.268 10.479 1.00 1.98 C ATOM 1271 NH1 ARG A 86 1.593 -13.662 11.261 1.00 1.57 N ATOM 1272 NH2 ARG A 86 0.438 -15.552 10.666 1.00 3.04 N ATOM 0 H ARG A 86 1.110 -11.564 5.375 1.00 0.30 H new ATOM 0 HA ARG A 86 -1.337 -10.221 5.993 1.00 0.33 H new ATOM 0 HB2 ARG A 86 1.299 -10.194 7.477 1.00 0.40 H new ATOM 0 HB3 ARG A 86 -0.287 -9.830 8.128 1.00 0.40 H new ATOM 0 HG2 ARG A 86 -0.978 -12.199 7.493 1.00 0.44 H new ATOM 0 HG3 ARG A 86 0.705 -12.513 7.115 1.00 0.44 H new ATOM 0 HD2 ARG A 86 1.350 -11.931 9.427 1.00 0.55 H new ATOM 0 HD3 ARG A 86 -0.320 -11.564 9.813 1.00 0.55 H new ATOM 0 HE ARG A 86 -0.608 -14.101 8.956 1.00 1.57 H new ATOM 0 HH11 ARG A 86 1.802 -12.673 11.124 1.00 1.57 H new ATOM 0 HH12 ARG A 86 2.065 -14.186 11.998 1.00 1.57 H new ATOM 0 HH21 ARG A 86 -0.244 -16.022 10.071 1.00 3.04 H new ATOM 0 HH22 ARG A 86 0.913 -16.070 11.405 1.00 3.04 H new ATOM 1286 N GLN A 87 1.301 -8.485 5.156 1.00 0.33 N ATOM 1287 CA GLN A 87 1.767 -7.237 4.574 1.00 0.33 C ATOM 1288 C GLN A 87 0.990 -6.940 3.292 1.00 0.28 C ATOM 1289 O GLN A 87 0.529 -5.821 3.073 1.00 0.28 O ATOM 1290 CB GLN A 87 3.262 -7.376 4.280 1.00 0.39 C ATOM 1291 CG GLN A 87 3.936 -6.125 3.754 1.00 0.49 C ATOM 1292 CD GLN A 87 3.826 -4.951 4.709 1.00 0.57 C ATOM 1293 OE1 GLN A 87 2.879 -4.167 4.647 1.00 1.14 O ATOM 1294 NE2 GLN A 87 4.798 -4.817 5.595 1.00 1.46 N ATOM 0 H GLN A 87 2.009 -9.219 5.163 1.00 0.33 H new ATOM 0 HA GLN A 87 1.605 -6.410 5.265 1.00 0.33 H new ATOM 0 HB2 GLN A 87 3.768 -7.685 5.194 1.00 0.39 H new ATOM 0 HB3 GLN A 87 3.400 -8.177 3.553 1.00 0.39 H new ATOM 0 HG2 GLN A 87 4.989 -6.337 3.566 1.00 0.49 H new ATOM 0 HG3 GLN A 87 3.490 -5.852 2.798 1.00 0.49 H new ATOM 0 HE21 GLN A 87 5.566 -5.488 5.615 1.00 1.46 H new ATOM 0 HE22 GLN A 87 4.780 -4.043 6.259 1.00 1.46 H new ATOM 1303 N ILE A 88 0.842 -7.967 2.458 1.00 0.25 N ATOM 1304 CA ILE A 88 0.048 -7.879 1.233 1.00 0.22 C ATOM 1305 C ILE A 88 -1.363 -7.379 1.515 1.00 0.20 C ATOM 1306 O ILE A 88 -1.888 -6.535 0.792 1.00 0.20 O ATOM 1307 CB ILE A 88 -0.011 -9.247 0.517 1.00 0.21 C ATOM 1308 CG1 ILE A 88 1.251 -9.442 -0.299 1.00 0.22 C ATOM 1309 CG2 ILE A 88 -1.234 -9.368 -0.370 1.00 0.20 C ATOM 1310 CD1 ILE A 88 1.387 -10.791 -0.945 1.00 0.23 C ATOM 0 H ILE A 88 1.267 -8.881 2.611 1.00 0.25 H new ATOM 0 HA ILE A 88 0.540 -7.158 0.580 1.00 0.22 H new ATOM 0 HB ILE A 88 -0.085 -10.025 1.276 1.00 0.21 H new ATOM 0 HG12 ILE A 88 1.285 -8.679 -1.076 1.00 0.22 H new ATOM 0 HG13 ILE A 88 2.113 -9.277 0.348 1.00 0.22 H new ATOM 0 HG21 ILE A 88 -1.237 -10.344 -0.855 1.00 0.20 H new ATOM 0 HG22 ILE A 88 -2.134 -9.260 0.235 1.00 0.20 H new ATOM 0 HG23 ILE A 88 -1.212 -8.586 -1.129 1.00 0.20 H new ATOM 0 HD11 ILE A 88 2.321 -10.833 -1.506 1.00 0.23 H new ATOM 0 HD12 ILE A 88 1.390 -11.564 -0.176 1.00 0.23 H new ATOM 0 HD13 ILE A 88 0.549 -10.956 -1.622 1.00 0.23 H new ATOM 1322 N ALA A 89 -1.968 -7.894 2.569 1.00 0.21 N ATOM 1323 CA ALA A 89 -3.305 -7.480 2.952 1.00 0.21 C ATOM 1324 C ALA A 89 -3.339 -5.995 3.295 1.00 0.22 C ATOM 1325 O ALA A 89 -4.310 -5.302 2.998 1.00 0.21 O ATOM 1326 CB ALA A 89 -3.796 -8.314 4.118 1.00 0.24 C ATOM 0 H ALA A 89 -1.554 -8.601 3.176 1.00 0.21 H new ATOM 0 HA ALA A 89 -3.972 -7.641 2.105 1.00 0.21 H new ATOM 0 HB1 ALA A 89 -4.800 -7.994 4.397 1.00 0.24 H new ATOM 0 HB2 ALA A 89 -3.817 -9.365 3.830 1.00 0.24 H new ATOM 0 HB3 ALA A 89 -3.125 -8.183 4.967 1.00 0.24 H new ATOM 1332 N LYS A 90 -2.273 -5.495 3.902 1.00 0.24 N ATOM 1333 CA LYS A 90 -2.201 -4.080 4.233 1.00 0.27 C ATOM 1334 C LYS A 90 -1.955 -3.268 2.972 1.00 0.24 C ATOM 1335 O LYS A 90 -2.403 -2.128 2.854 1.00 0.26 O ATOM 1336 CB LYS A 90 -1.116 -3.807 5.274 1.00 0.33 C ATOM 1337 CG LYS A 90 -1.308 -4.586 6.568 1.00 0.46 C ATOM 1338 CD LYS A 90 -2.738 -4.489 7.093 1.00 0.50 C ATOM 1339 CE LYS A 90 -3.146 -3.051 7.395 1.00 0.67 C ATOM 1340 NZ LYS A 90 -2.273 -2.426 8.426 1.00 1.26 N ATOM 0 H LYS A 90 -1.455 -6.041 4.173 1.00 0.24 H new ATOM 0 HA LYS A 90 -3.154 -3.779 4.669 1.00 0.27 H new ATOM 0 HB2 LYS A 90 -0.144 -4.058 4.849 1.00 0.33 H new ATOM 0 HB3 LYS A 90 -1.100 -2.741 5.500 1.00 0.33 H new ATOM 0 HG2 LYS A 90 -1.054 -5.633 6.401 1.00 0.46 H new ATOM 0 HG3 LYS A 90 -0.619 -4.208 7.323 1.00 0.46 H new ATOM 0 HD2 LYS A 90 -3.422 -4.912 6.358 1.00 0.50 H new ATOM 0 HD3 LYS A 90 -2.832 -5.089 7.998 1.00 0.50 H new ATOM 0 HE2 LYS A 90 -3.103 -2.462 6.479 1.00 0.67 H new ATOM 0 HE3 LYS A 90 -4.181 -3.032 7.737 1.00 0.67 H new ATOM 0 HZ1 LYS A 90 -2.674 -1.510 8.711 1.00 1.26 H new ATOM 0 HZ2 LYS A 90 -2.213 -3.051 9.255 1.00 1.26 H new ATOM 0 HZ3 LYS A 90 -1.321 -2.280 8.033 1.00 1.26 H new ATOM 1354 N ALA A 91 -1.253 -3.873 2.024 1.00 0.23 N ATOM 1355 CA ALA A 91 -1.081 -3.284 0.708 1.00 0.22 C ATOM 1356 C ALA A 91 -2.427 -3.207 -0.002 1.00 0.19 C ATOM 1357 O ALA A 91 -2.735 -2.216 -0.655 1.00 0.20 O ATOM 1358 CB ALA A 91 -0.075 -4.084 -0.110 1.00 0.22 C ATOM 0 H ALA A 91 -0.793 -4.775 2.145 1.00 0.23 H new ATOM 0 HA ALA A 91 -0.689 -2.273 0.819 1.00 0.22 H new ATOM 0 HB1 ALA A 91 0.040 -3.627 -1.093 1.00 0.22 H new ATOM 0 HB2 ALA A 91 0.887 -4.091 0.402 1.00 0.22 H new ATOM 0 HB3 ALA A 91 -0.432 -5.108 -0.225 1.00 0.22 H new ATOM 1364 N TYR A 92 -3.232 -4.253 0.155 1.00 0.17 N ATOM 1365 CA TYR A 92 -4.586 -4.273 -0.387 1.00 0.16 C ATOM 1366 C TYR A 92 -5.446 -3.208 0.248 1.00 0.16 C ATOM 1367 O TYR A 92 -6.201 -2.521 -0.433 1.00 0.16 O ATOM 1368 CB TYR A 92 -5.245 -5.631 -0.178 1.00 0.15 C ATOM 1369 CG TYR A 92 -4.880 -6.649 -1.217 1.00 0.15 C ATOM 1370 CD1 TYR A 92 -5.094 -6.399 -2.564 1.00 0.20 C ATOM 1371 CD2 TYR A 92 -4.319 -7.855 -0.854 1.00 0.16 C ATOM 1372 CE1 TYR A 92 -4.758 -7.332 -3.523 1.00 0.22 C ATOM 1373 CE2 TYR A 92 -3.979 -8.794 -1.801 1.00 0.18 C ATOM 1374 CZ TYR A 92 -4.199 -8.529 -3.136 1.00 0.21 C ATOM 1375 OH TYR A 92 -3.864 -9.464 -4.087 1.00 0.24 O ATOM 0 H TYR A 92 -2.968 -5.102 0.656 1.00 0.17 H new ATOM 0 HA TYR A 92 -4.501 -4.076 -1.456 1.00 0.16 H new ATOM 0 HB2 TYR A 92 -4.966 -6.012 0.804 1.00 0.15 H new ATOM 0 HB3 TYR A 92 -6.327 -5.502 -0.174 1.00 0.15 H new ATOM 0 HD1 TYR A 92 -5.531 -5.459 -2.867 1.00 0.20 H new ATOM 0 HD2 TYR A 92 -4.144 -8.066 0.190 1.00 0.16 H new ATOM 0 HE1 TYR A 92 -4.932 -7.125 -4.569 1.00 0.22 H new ATOM 0 HE2 TYR A 92 -3.542 -9.734 -1.500 1.00 0.18 H new ATOM 0 HH TYR A 92 -3.480 -10.252 -3.650 1.00 0.24 H new ATOM 1385 N ALA A 93 -5.336 -3.080 1.556 1.00 0.20 N ATOM 1386 CA ALA A 93 -6.093 -2.079 2.277 1.00 0.21 C ATOM 1387 C ALA A 93 -5.667 -0.686 1.849 1.00 0.23 C ATOM 1388 O ALA A 93 -6.464 0.245 1.849 1.00 0.26 O ATOM 1389 CB ALA A 93 -5.916 -2.255 3.773 1.00 0.25 C ATOM 0 H ALA A 93 -4.730 -3.657 2.139 1.00 0.20 H new ATOM 0 HA ALA A 93 -7.149 -2.205 2.040 1.00 0.21 H new ATOM 0 HB1 ALA A 93 -6.492 -1.494 4.300 1.00 0.25 H new ATOM 0 HB2 ALA A 93 -6.267 -3.244 4.067 1.00 0.25 H new ATOM 0 HB3 ALA A 93 -4.861 -2.154 4.029 1.00 0.25 H new ATOM 1395 N ARG A 94 -4.404 -0.556 1.479 1.00 0.24 N ATOM 1396 CA ARG A 94 -3.870 0.706 1.000 1.00 0.27 C ATOM 1397 C ARG A 94 -4.345 0.964 -0.429 1.00 0.24 C ATOM 1398 O ARG A 94 -4.672 2.095 -0.787 1.00 0.27 O ATOM 1399 CB ARG A 94 -2.342 0.677 1.089 1.00 0.34 C ATOM 1400 CG ARG A 94 -1.671 2.028 0.896 1.00 0.77 C ATOM 1401 CD ARG A 94 -0.231 1.995 1.392 1.00 0.53 C ATOM 1402 NE ARG A 94 -0.163 1.688 2.825 1.00 0.72 N ATOM 1403 CZ ARG A 94 0.892 1.145 3.440 1.00 0.69 C ATOM 1404 NH1 ARG A 94 2.003 0.872 2.770 1.00 1.50 N ATOM 1405 NH2 ARG A 94 0.836 0.890 4.742 1.00 0.88 N ATOM 0 H ARG A 94 -3.725 -1.317 1.502 1.00 0.24 H new ATOM 0 HA ARG A 94 -4.233 1.524 1.622 1.00 0.27 H new ATOM 0 HB2 ARG A 94 -2.055 0.279 2.063 1.00 0.34 H new ATOM 0 HB3 ARG A 94 -1.960 -0.014 0.338 1.00 0.34 H new ATOM 0 HG2 ARG A 94 -1.690 2.301 -0.159 1.00 0.77 H new ATOM 0 HG3 ARG A 94 -2.228 2.795 1.434 1.00 0.77 H new ATOM 0 HD2 ARG A 94 0.331 1.248 0.832 1.00 0.53 H new ATOM 0 HD3 ARG A 94 0.242 2.958 1.202 1.00 0.53 H new ATOM 0 HE ARG A 94 -0.981 1.905 3.394 1.00 0.72 H new ATOM 0 HH11 ARG A 94 2.060 1.076 1.772 1.00 1.50 H new ATOM 0 HH12 ARG A 94 2.801 0.458 3.252 1.00 1.50 H new ATOM 0 HH21 ARG A 94 -0.010 1.108 5.269 1.00 0.88 H new ATOM 0 HH22 ARG A 94 1.639 0.476 5.216 1.00 0.88 H new ATOM 1419 N ILE A 95 -4.397 -0.095 -1.235 1.00 0.21 N ATOM 1420 CA ILE A 95 -4.972 -0.016 -2.577 1.00 0.21 C ATOM 1421 C ILE A 95 -6.425 0.416 -2.497 1.00 0.20 C ATOM 1422 O ILE A 95 -6.828 1.412 -3.101 1.00 0.24 O ATOM 1423 CB ILE A 95 -4.902 -1.372 -3.314 1.00 0.19 C ATOM 1424 CG1 ILE A 95 -3.458 -1.763 -3.567 1.00 0.26 C ATOM 1425 CG2 ILE A 95 -5.661 -1.310 -4.630 1.00 0.28 C ATOM 1426 CD1 ILE A 95 -3.288 -3.134 -4.179 1.00 0.22 C ATOM 0 H ILE A 95 -4.047 -1.019 -0.982 1.00 0.21 H new ATOM 0 HA ILE A 95 -4.386 0.715 -3.134 1.00 0.21 H new ATOM 0 HB ILE A 95 -5.367 -2.127 -2.680 1.00 0.19 H new ATOM 0 HG12 ILE A 95 -3.003 -1.024 -4.226 1.00 0.26 H new ATOM 0 HG13 ILE A 95 -2.913 -1.728 -2.624 1.00 0.26 H new ATOM 0 HG21 ILE A 95 -5.598 -2.276 -5.132 1.00 0.28 H new ATOM 0 HG22 ILE A 95 -6.706 -1.069 -4.436 1.00 0.28 H new ATOM 0 HG23 ILE A 95 -5.223 -0.541 -5.267 1.00 0.28 H new ATOM 0 HD11 ILE A 95 -2.227 -3.337 -4.328 1.00 0.22 H new ATOM 0 HD12 ILE A 95 -3.711 -3.885 -3.512 1.00 0.22 H new ATOM 0 HD13 ILE A 95 -3.803 -3.170 -5.139 1.00 0.22 H new ATOM 1438 N GLY A 96 -7.198 -0.337 -1.727 1.00 0.17 N ATOM 1439 CA GLY A 96 -8.599 -0.045 -1.566 1.00 0.18 C ATOM 1440 C GLY A 96 -8.825 1.320 -0.967 1.00 0.20 C ATOM 1441 O GLY A 96 -9.746 2.028 -1.363 1.00 0.23 O ATOM 0 H GLY A 96 -6.871 -1.152 -1.208 1.00 0.17 H new ATOM 0 HA2 GLY A 96 -9.095 -0.103 -2.535 1.00 0.18 H new ATOM 0 HA3 GLY A 96 -9.056 -0.801 -0.928 1.00 0.18 H new ATOM 1445 N ASN A 97 -7.969 1.706 -0.029 1.00 0.20 N ATOM 1446 CA ASN A 97 -8.110 2.994 0.632 1.00 0.25 C ATOM 1447 C ASN A 97 -7.845 4.125 -0.351 1.00 0.25 C ATOM 1448 O ASN A 97 -8.433 5.194 -0.246 1.00 0.27 O ATOM 1449 CB ASN A 97 -7.175 3.115 1.840 1.00 0.31 C ATOM 1450 CG ASN A 97 -7.610 4.197 2.815 1.00 0.72 C ATOM 1451 OD1 ASN A 97 -6.782 4.855 3.447 1.00 1.32 O ATOM 1452 ND2 ASN A 97 -8.914 4.369 2.973 1.00 1.64 N ATOM 0 H ASN A 97 -7.176 1.149 0.288 1.00 0.20 H new ATOM 0 HA ASN A 97 -9.135 3.068 0.995 1.00 0.25 H new ATOM 0 HB2 ASN A 97 -7.135 2.158 2.360 1.00 0.31 H new ATOM 0 HB3 ASN A 97 -6.165 3.331 1.492 1.00 0.31 H new ATOM 0 HD21 ASN A 97 -9.260 5.064 3.635 1.00 1.64 H new ATOM 0 HD22 ASN A 97 -9.572 3.807 2.433 1.00 1.64 H new ATOM 1459 N SER A 98 -6.969 3.877 -1.317 1.00 0.26 N ATOM 1460 CA SER A 98 -6.693 4.847 -2.369 1.00 0.29 C ATOM 1461 C SER A 98 -7.962 5.120 -3.172 1.00 0.29 C ATOM 1462 O SER A 98 -8.343 6.271 -3.390 1.00 0.32 O ATOM 1463 CB SER A 98 -5.590 4.321 -3.285 1.00 0.32 C ATOM 1464 OG SER A 98 -4.415 4.033 -2.549 1.00 0.94 O ATOM 0 H SER A 98 -6.437 3.010 -1.393 1.00 0.26 H new ATOM 0 HA SER A 98 -6.358 5.780 -1.916 1.00 0.29 H new ATOM 0 HB2 SER A 98 -5.934 3.421 -3.795 1.00 0.32 H new ATOM 0 HB3 SER A 98 -5.369 5.059 -4.056 1.00 0.32 H new ATOM 0 HG SER A 98 -4.561 3.235 -2.000 1.00 0.94 H new ATOM 1470 N TYR A 99 -8.622 4.044 -3.579 1.00 0.28 N ATOM 1471 CA TYR A 99 -9.889 4.135 -4.292 1.00 0.29 C ATOM 1472 C TYR A 99 -10.959 4.755 -3.398 1.00 0.28 C ATOM 1473 O TYR A 99 -11.814 5.512 -3.851 1.00 0.31 O ATOM 1474 CB TYR A 99 -10.337 2.746 -4.736 1.00 0.26 C ATOM 1475 CG TYR A 99 -9.506 2.146 -5.840 1.00 0.29 C ATOM 1476 CD1 TYR A 99 -9.583 2.621 -7.139 1.00 0.36 C ATOM 1477 CD2 TYR A 99 -8.629 1.112 -5.573 1.00 0.28 C ATOM 1478 CE1 TYR A 99 -8.803 2.076 -8.140 1.00 0.40 C ATOM 1479 CE2 TYR A 99 -7.850 0.561 -6.557 1.00 0.32 C ATOM 1480 CZ TYR A 99 -8.015 1.036 -7.897 1.00 0.37 C ATOM 1481 OH TYR A 99 -7.154 0.500 -8.833 1.00 0.43 O ATOM 0 H TYR A 99 -8.297 3.089 -3.426 1.00 0.28 H new ATOM 0 HA TYR A 99 -9.749 4.768 -5.168 1.00 0.29 H new ATOM 0 HB2 TYR A 99 -10.312 2.078 -3.875 1.00 0.26 H new ATOM 0 HB3 TYR A 99 -11.374 2.801 -5.067 1.00 0.26 H new ATOM 0 HD1 TYR A 99 -10.262 3.428 -7.372 1.00 0.36 H new ATOM 0 HD2 TYR A 99 -8.556 0.729 -4.566 1.00 0.28 H new ATOM 0 HE1 TYR A 99 -8.835 2.501 -9.132 1.00 0.40 H new ATOM 0 HE2 TYR A 99 -7.131 -0.211 -6.327 1.00 0.32 H new ATOM 0 HH TYR A 99 -7.046 1.130 -9.576 1.00 0.43 H new ATOM 1491 N PHE A 100 -10.883 4.414 -2.122 1.00 0.26 N ATOM 1492 CA PHE A 100 -11.791 4.913 -1.097 1.00 0.27 C ATOM 1493 C PHE A 100 -11.729 6.443 -1.012 1.00 0.32 C ATOM 1494 O PHE A 100 -12.720 7.100 -0.700 1.00 0.40 O ATOM 1495 CB PHE A 100 -11.384 4.259 0.226 1.00 0.25 C ATOM 1496 CG PHE A 100 -12.277 4.500 1.412 1.00 0.28 C ATOM 1497 CD1 PHE A 100 -13.433 3.758 1.592 1.00 0.28 C ATOM 1498 CD2 PHE A 100 -11.994 5.515 2.309 1.00 0.38 C ATOM 1499 CE1 PHE A 100 -14.281 4.018 2.651 1.00 0.32 C ATOM 1500 CE2 PHE A 100 -12.844 5.789 3.361 1.00 0.43 C ATOM 1501 CZ PHE A 100 -13.857 4.851 3.671 1.00 0.37 C ATOM 0 H PHE A 100 -10.177 3.772 -1.761 1.00 0.26 H new ATOM 0 HA PHE A 100 -12.824 4.660 -1.337 1.00 0.27 H new ATOM 0 HB2 PHE A 100 -11.318 3.183 0.065 1.00 0.25 H new ATOM 0 HB3 PHE A 100 -10.382 4.605 0.481 1.00 0.25 H new ATOM 0 HD1 PHE A 100 -13.674 2.968 0.897 1.00 0.28 H new ATOM 0 HD2 PHE A 100 -11.095 6.101 2.184 1.00 0.38 H new ATOM 0 HE1 PHE A 100 -15.266 3.575 2.682 1.00 0.32 H new ATOM 0 HE2 PHE A 100 -12.739 6.698 3.934 1.00 0.43 H new ATOM 0 HZ PHE A 100 -14.281 4.788 4.662 1.00 0.37 H new ATOM 1511 N LYS A 101 -10.562 7.005 -1.308 1.00 0.32 N ATOM 1512 CA LYS A 101 -10.400 8.454 -1.312 1.00 0.38 C ATOM 1513 C LYS A 101 -10.865 9.037 -2.642 1.00 0.41 C ATOM 1514 O LYS A 101 -11.509 10.086 -2.685 1.00 0.51 O ATOM 1515 CB LYS A 101 -8.936 8.850 -1.084 1.00 0.44 C ATOM 1516 CG LYS A 101 -8.247 8.108 0.051 1.00 0.57 C ATOM 1517 CD LYS A 101 -8.914 8.346 1.396 1.00 0.68 C ATOM 1518 CE LYS A 101 -8.654 9.751 1.914 1.00 0.63 C ATOM 1519 NZ LYS A 101 -9.140 9.924 3.308 1.00 0.74 N ATOM 0 H LYS A 101 -9.719 6.483 -1.547 1.00 0.32 H new ATOM 0 HA LYS A 101 -11.007 8.852 -0.499 1.00 0.38 H new ATOM 0 HB2 LYS A 101 -8.379 8.676 -2.005 1.00 0.44 H new ATOM 0 HB3 LYS A 101 -8.890 9.920 -0.881 1.00 0.44 H new ATOM 0 HG2 LYS A 101 -8.246 7.040 -0.166 1.00 0.57 H new ATOM 0 HG3 LYS A 101 -7.205 8.423 0.106 1.00 0.57 H new ATOM 0 HD2 LYS A 101 -9.988 8.186 1.302 1.00 0.68 H new ATOM 0 HD3 LYS A 101 -8.545 7.618 2.119 1.00 0.68 H new ATOM 0 HE2 LYS A 101 -7.585 9.962 1.873 1.00 0.63 H new ATOM 0 HE3 LYS A 101 -9.147 10.475 1.265 1.00 0.63 H new ATOM 0 HZ1 LYS A 101 -8.945 10.895 3.626 1.00 0.74 H new ATOM 0 HZ2 LYS A 101 -10.164 9.748 3.343 1.00 0.74 H new ATOM 0 HZ3 LYS A 101 -8.651 9.251 3.932 1.00 0.74 H new ATOM 1533 N GLU A 102 -10.556 8.328 -3.727 1.00 0.37 N ATOM 1534 CA GLU A 102 -10.771 8.850 -5.072 1.00 0.40 C ATOM 1535 C GLU A 102 -12.208 8.607 -5.539 1.00 0.39 C ATOM 1536 O GLU A 102 -12.575 8.953 -6.667 1.00 0.42 O ATOM 1537 CB GLU A 102 -9.768 8.225 -6.037 1.00 0.40 C ATOM 1538 CG GLU A 102 -10.251 6.969 -6.739 1.00 0.38 C ATOM 1539 CD GLU A 102 -9.214 6.430 -7.703 1.00 0.44 C ATOM 1540 OE1 GLU A 102 -9.197 6.858 -8.871 1.00 0.57 O ATOM 1541 OE2 GLU A 102 -8.418 5.552 -7.296 1.00 0.45 O ATOM 0 H GLU A 102 -10.156 7.390 -3.699 1.00 0.37 H new ATOM 0 HA GLU A 102 -10.615 9.929 -5.054 1.00 0.40 H new ATOM 0 HB2 GLU A 102 -9.502 8.966 -6.791 1.00 0.40 H new ATOM 0 HB3 GLU A 102 -8.857 7.989 -5.488 1.00 0.40 H new ATOM 0 HG2 GLU A 102 -10.489 6.207 -5.997 1.00 0.38 H new ATOM 0 HG3 GLU A 102 -11.172 7.186 -7.280 1.00 0.38 H new ATOM 1548 N GLU A 103 -13.001 7.999 -4.655 1.00 0.36 N ATOM 1549 CA GLU A 103 -14.425 7.749 -4.890 1.00 0.35 C ATOM 1550 C GLU A 103 -14.637 6.577 -5.851 1.00 0.35 C ATOM 1551 O GLU A 103 -15.666 6.481 -6.518 1.00 0.45 O ATOM 1552 CB GLU A 103 -15.126 9.013 -5.398 1.00 0.38 C ATOM 1553 CG GLU A 103 -15.041 10.180 -4.425 1.00 1.11 C ATOM 1554 CD GLU A 103 -15.352 11.508 -5.080 1.00 1.17 C ATOM 1555 OE1 GLU A 103 -16.540 11.888 -5.136 1.00 1.47 O ATOM 1556 OE2 GLU A 103 -14.406 12.184 -5.538 1.00 1.31 O ATOM 0 H GLU A 103 -12.671 7.664 -3.750 1.00 0.36 H new ATOM 0 HA GLU A 103 -14.874 7.474 -3.936 1.00 0.35 H new ATOM 0 HB2 GLU A 103 -14.683 9.309 -6.349 1.00 0.38 H new ATOM 0 HB3 GLU A 103 -16.174 8.786 -5.592 1.00 0.38 H new ATOM 0 HG2 GLU A 103 -15.736 10.013 -3.602 1.00 1.11 H new ATOM 0 HG3 GLU A 103 -14.040 10.217 -3.994 1.00 1.11 H new ATOM 1563 N LYS A 104 -13.655 5.690 -5.907 1.00 0.32 N ATOM 1564 CA LYS A 104 -13.768 4.442 -6.653 1.00 0.31 C ATOM 1565 C LYS A 104 -14.040 3.297 -5.688 1.00 0.28 C ATOM 1566 O LYS A 104 -13.270 2.342 -5.595 1.00 0.27 O ATOM 1567 CB LYS A 104 -12.492 4.177 -7.449 1.00 0.34 C ATOM 1568 CG LYS A 104 -12.428 4.947 -8.758 1.00 0.64 C ATOM 1569 CD LYS A 104 -11.363 4.410 -9.698 1.00 0.47 C ATOM 1570 CE LYS A 104 -11.702 3.006 -10.164 1.00 1.11 C ATOM 1571 NZ LYS A 104 -10.850 2.568 -11.303 1.00 1.89 N ATOM 0 H LYS A 104 -12.758 5.813 -5.438 1.00 0.32 H new ATOM 0 HA LYS A 104 -14.596 4.521 -7.357 1.00 0.31 H new ATOM 0 HB2 LYS A 104 -11.629 4.442 -6.838 1.00 0.34 H new ATOM 0 HB3 LYS A 104 -12.418 3.110 -7.659 1.00 0.34 H new ATOM 0 HG2 LYS A 104 -13.399 4.901 -9.251 1.00 0.64 H new ATOM 0 HG3 LYS A 104 -12.226 5.997 -8.548 1.00 0.64 H new ATOM 0 HD2 LYS A 104 -11.269 5.070 -10.560 1.00 0.47 H new ATOM 0 HD3 LYS A 104 -10.397 4.405 -9.193 1.00 0.47 H new ATOM 0 HE2 LYS A 104 -11.580 2.311 -9.334 1.00 1.11 H new ATOM 0 HE3 LYS A 104 -12.750 2.967 -10.461 1.00 1.11 H new ATOM 0 HZ1 LYS A 104 -11.118 1.604 -11.586 1.00 1.89 H new ATOM 0 HZ2 LYS A 104 -10.985 3.215 -12.106 1.00 1.89 H new ATOM 0 HZ3 LYS A 104 -9.851 2.579 -11.014 1.00 1.89 H new ATOM 1585 N TYR A 105 -15.147 3.407 -4.971 1.00 0.28 N ATOM 1586 CA TYR A 105 -15.464 2.477 -3.888 1.00 0.25 C ATOM 1587 C TYR A 105 -15.684 1.055 -4.388 1.00 0.26 C ATOM 1588 O TYR A 105 -15.464 0.102 -3.644 1.00 0.25 O ATOM 1589 CB TYR A 105 -16.674 2.960 -3.081 1.00 0.26 C ATOM 1590 CG TYR A 105 -16.436 4.303 -2.437 1.00 0.29 C ATOM 1591 CD1 TYR A 105 -15.590 4.416 -1.343 1.00 0.29 C ATOM 1592 CD2 TYR A 105 -17.018 5.461 -2.939 1.00 0.34 C ATOM 1593 CE1 TYR A 105 -15.334 5.638 -0.763 1.00 0.34 C ATOM 1594 CE2 TYR A 105 -16.758 6.693 -2.367 1.00 0.39 C ATOM 1595 CZ TYR A 105 -15.914 6.774 -1.278 1.00 0.38 C ATOM 1596 OH TYR A 105 -15.640 7.994 -0.704 1.00 0.46 O ATOM 0 H TYR A 105 -15.847 4.134 -5.117 1.00 0.28 H new ATOM 0 HA TYR A 105 -14.595 2.456 -3.231 1.00 0.25 H new ATOM 0 HB2 TYR A 105 -17.543 3.023 -3.736 1.00 0.26 H new ATOM 0 HB3 TYR A 105 -16.909 2.227 -2.310 1.00 0.26 H new ATOM 0 HD1 TYR A 105 -15.124 3.529 -0.939 1.00 0.29 H new ATOM 0 HD2 TYR A 105 -17.683 5.398 -3.788 1.00 0.34 H new ATOM 0 HE1 TYR A 105 -14.680 5.705 0.094 1.00 0.34 H new ATOM 0 HE2 TYR A 105 -17.213 7.586 -2.770 1.00 0.39 H new ATOM 0 HH TYR A 105 -14.679 8.062 -0.524 1.00 0.46 H new ATOM 1606 N LYS A 106 -16.094 0.908 -5.643 1.00 0.31 N ATOM 1607 CA LYS A 106 -16.268 -0.420 -6.225 1.00 0.35 C ATOM 1608 C LYS A 106 -14.938 -1.164 -6.217 1.00 0.31 C ATOM 1609 O LYS A 106 -14.856 -2.325 -5.808 1.00 0.31 O ATOM 1610 CB LYS A 106 -16.797 -0.326 -7.659 1.00 0.44 C ATOM 1611 CG LYS A 106 -18.105 0.435 -7.782 1.00 0.56 C ATOM 1612 CD LYS A 106 -18.510 0.604 -9.236 1.00 0.78 C ATOM 1613 CE LYS A 106 -19.834 1.338 -9.367 1.00 0.94 C ATOM 1614 NZ LYS A 106 -20.962 0.564 -8.782 1.00 1.57 N ATOM 0 H LYS A 106 -16.310 1.682 -6.272 1.00 0.31 H new ATOM 0 HA LYS A 106 -16.997 -0.964 -5.624 1.00 0.35 H new ATOM 0 HB2 LYS A 106 -16.046 0.159 -8.282 1.00 0.44 H new ATOM 0 HB3 LYS A 106 -16.935 -1.333 -8.052 1.00 0.44 H new ATOM 0 HG2 LYS A 106 -18.889 -0.096 -7.243 1.00 0.56 H new ATOM 0 HG3 LYS A 106 -18.004 1.414 -7.314 1.00 0.56 H new ATOM 0 HD2 LYS A 106 -17.734 1.154 -9.769 1.00 0.78 H new ATOM 0 HD3 LYS A 106 -18.588 -0.375 -9.709 1.00 0.78 H new ATOM 0 HE2 LYS A 106 -19.763 2.306 -8.870 1.00 0.94 H new ATOM 0 HE3 LYS A 106 -20.037 1.534 -10.420 1.00 0.94 H new ATOM 0 HZ1 LYS A 106 -21.784 0.614 -9.418 1.00 1.57 H new ATOM 0 HZ2 LYS A 106 -20.677 -0.429 -8.662 1.00 1.57 H new ATOM 0 HZ3 LYS A 106 -21.215 0.965 -7.857 1.00 1.57 H new ATOM 1628 N ASP A 107 -13.897 -0.469 -6.652 1.00 0.30 N ATOM 1629 CA ASP A 107 -12.551 -1.022 -6.668 1.00 0.29 C ATOM 1630 C ASP A 107 -11.987 -1.080 -5.253 1.00 0.23 C ATOM 1631 O ASP A 107 -11.211 -1.976 -4.918 1.00 0.21 O ATOM 1632 CB ASP A 107 -11.637 -0.180 -7.565 1.00 0.33 C ATOM 1633 CG ASP A 107 -11.959 -0.322 -9.039 1.00 0.46 C ATOM 1634 OD1 ASP A 107 -12.965 0.263 -9.491 1.00 0.64 O ATOM 1635 OD2 ASP A 107 -11.195 -1.000 -9.764 1.00 0.67 O ATOM 0 H ASP A 107 -13.960 0.487 -7.001 1.00 0.30 H new ATOM 0 HA ASP A 107 -12.598 -2.034 -7.070 1.00 0.29 H new ATOM 0 HB2 ASP A 107 -11.723 0.868 -7.279 1.00 0.33 H new ATOM 0 HB3 ASP A 107 -10.601 -0.473 -7.395 1.00 0.33 H new ATOM 1640 N ALA A 108 -12.395 -0.121 -4.425 1.00 0.22 N ATOM 1641 CA ALA A 108 -11.975 -0.069 -3.027 1.00 0.18 C ATOM 1642 C ALA A 108 -12.343 -1.362 -2.315 1.00 0.16 C ATOM 1643 O ALA A 108 -11.482 -2.057 -1.780 1.00 0.16 O ATOM 1644 CB ALA A 108 -12.611 1.121 -2.315 1.00 0.18 C ATOM 0 H ALA A 108 -13.021 0.636 -4.701 1.00 0.22 H new ATOM 0 HA ALA A 108 -10.892 0.052 -3.001 1.00 0.18 H new ATOM 0 HB1 ALA A 108 -12.284 1.140 -1.275 1.00 0.18 H new ATOM 0 HB2 ALA A 108 -12.307 2.045 -2.808 1.00 0.18 H new ATOM 0 HB3 ALA A 108 -13.697 1.030 -2.353 1.00 0.18 H new ATOM 1650 N ILE A 109 -13.628 -1.685 -2.350 1.00 0.17 N ATOM 1651 CA ILE A 109 -14.158 -2.873 -1.694 1.00 0.18 C ATOM 1652 C ILE A 109 -13.552 -4.145 -2.276 1.00 0.19 C ATOM 1653 O ILE A 109 -13.328 -5.120 -1.557 1.00 0.20 O ATOM 1654 CB ILE A 109 -15.692 -2.906 -1.827 1.00 0.21 C ATOM 1655 CG1 ILE A 109 -16.280 -1.709 -1.099 1.00 0.22 C ATOM 1656 CG2 ILE A 109 -16.270 -4.189 -1.264 1.00 0.24 C ATOM 1657 CD1 ILE A 109 -17.548 -1.180 -1.719 1.00 0.51 C ATOM 0 H ILE A 109 -14.334 -1.130 -2.835 1.00 0.17 H new ATOM 0 HA ILE A 109 -13.888 -2.827 -0.639 1.00 0.18 H new ATOM 0 HB ILE A 109 -15.949 -2.864 -2.885 1.00 0.21 H new ATOM 0 HG12 ILE A 109 -16.482 -1.988 -0.065 1.00 0.22 H new ATOM 0 HG13 ILE A 109 -15.538 -0.911 -1.075 1.00 0.22 H new ATOM 0 HG21 ILE A 109 -17.354 -4.179 -1.374 1.00 0.24 H new ATOM 0 HG22 ILE A 109 -15.858 -5.041 -1.804 1.00 0.24 H new ATOM 0 HG23 ILE A 109 -16.013 -4.271 -0.208 1.00 0.24 H new ATOM 0 HD11 ILE A 109 -17.906 -0.327 -1.143 1.00 0.51 H new ATOM 0 HD12 ILE A 109 -17.349 -0.868 -2.744 1.00 0.51 H new ATOM 0 HD13 ILE A 109 -18.307 -1.962 -1.719 1.00 0.51 H new ATOM 1669 N HIS A 110 -13.271 -4.121 -3.574 1.00 0.20 N ATOM 1670 CA HIS A 110 -12.653 -5.261 -4.238 1.00 0.23 C ATOM 1671 C HIS A 110 -11.346 -5.629 -3.548 1.00 0.20 C ATOM 1672 O HIS A 110 -11.172 -6.752 -3.075 1.00 0.23 O ATOM 1673 CB HIS A 110 -12.377 -4.949 -5.711 1.00 0.27 C ATOM 1674 CG HIS A 110 -11.827 -6.116 -6.483 1.00 0.32 C ATOM 1675 ND1 HIS A 110 -12.621 -7.052 -7.102 1.00 0.40 N ATOM 1676 CD2 HIS A 110 -10.547 -6.488 -6.737 1.00 0.34 C ATOM 1677 CE1 HIS A 110 -11.856 -7.948 -7.700 1.00 0.44 C ATOM 1678 NE2 HIS A 110 -10.594 -7.627 -7.500 1.00 0.40 N ATOM 0 H HIS A 110 -13.461 -3.327 -4.185 1.00 0.20 H new ATOM 0 HA HIS A 110 -13.345 -6.101 -4.178 1.00 0.23 H new ATOM 0 HB2 HIS A 110 -13.302 -4.616 -6.182 1.00 0.27 H new ATOM 0 HB3 HIS A 110 -11.672 -4.120 -5.772 1.00 0.27 H new ATOM 0 HD1 HIS A 110 -13.641 -7.054 -7.100 1.00 0.40 H new ATOM 0 HD2 HIS A 110 -9.655 -5.981 -6.400 1.00 0.34 H new ATOM 0 HE1 HIS A 110 -12.207 -8.802 -8.260 1.00 0.44 H new ATOM 1687 N PHE A 111 -10.439 -4.666 -3.482 1.00 0.18 N ATOM 1688 CA PHE A 111 -9.125 -4.894 -2.902 1.00 0.17 C ATOM 1689 C PHE A 111 -9.199 -4.947 -1.382 1.00 0.16 C ATOM 1690 O PHE A 111 -8.324 -5.517 -0.736 1.00 0.20 O ATOM 1691 CB PHE A 111 -8.148 -3.822 -3.373 1.00 0.17 C ATOM 1692 CG PHE A 111 -7.861 -3.906 -4.847 1.00 0.21 C ATOM 1693 CD1 PHE A 111 -6.971 -4.848 -5.338 1.00 0.22 C ATOM 1694 CD2 PHE A 111 -8.481 -3.047 -5.739 1.00 0.26 C ATOM 1695 CE1 PHE A 111 -6.702 -4.929 -6.690 1.00 0.27 C ATOM 1696 CE2 PHE A 111 -8.215 -3.123 -7.091 1.00 0.31 C ATOM 1697 CZ PHE A 111 -7.324 -4.064 -7.567 1.00 0.32 C ATOM 0 H PHE A 111 -10.590 -3.717 -3.824 1.00 0.18 H new ATOM 0 HA PHE A 111 -8.759 -5.863 -3.243 1.00 0.17 H new ATOM 0 HB2 PHE A 111 -8.556 -2.838 -3.142 1.00 0.17 H new ATOM 0 HB3 PHE A 111 -7.214 -3.918 -2.819 1.00 0.17 H new ATOM 0 HD1 PHE A 111 -6.482 -5.527 -4.655 1.00 0.22 H new ATOM 0 HD2 PHE A 111 -9.180 -2.310 -5.373 1.00 0.26 H new ATOM 0 HE1 PHE A 111 -6.006 -5.668 -7.060 1.00 0.27 H new ATOM 0 HE2 PHE A 111 -8.704 -2.447 -7.777 1.00 0.31 H new ATOM 0 HZ PHE A 111 -7.114 -4.123 -8.625 1.00 0.32 H new ATOM 1707 N TYR A 112 -10.247 -4.366 -0.810 1.00 0.15 N ATOM 1708 CA TYR A 112 -10.518 -4.554 0.607 1.00 0.17 C ATOM 1709 C TYR A 112 -10.764 -6.027 0.882 1.00 0.20 C ATOM 1710 O TYR A 112 -10.096 -6.630 1.714 1.00 0.22 O ATOM 1711 CB TYR A 112 -11.731 -3.746 1.070 1.00 0.17 C ATOM 1712 CG TYR A 112 -11.474 -2.275 1.314 1.00 0.19 C ATOM 1713 CD1 TYR A 112 -10.224 -1.809 1.711 1.00 0.21 C ATOM 1714 CD2 TYR A 112 -12.499 -1.353 1.167 1.00 0.20 C ATOM 1715 CE1 TYR A 112 -10.008 -0.468 1.950 1.00 0.25 C ATOM 1716 CE2 TYR A 112 -12.292 -0.015 1.408 1.00 0.23 C ATOM 1717 CZ TYR A 112 -11.044 0.424 1.798 1.00 0.25 C ATOM 1718 OH TYR A 112 -10.834 1.760 2.049 1.00 0.32 O ATOM 0 H TYR A 112 -10.914 -3.769 -1.299 1.00 0.15 H new ATOM 0 HA TYR A 112 -9.648 -4.201 1.161 1.00 0.17 H new ATOM 0 HB2 TYR A 112 -12.517 -3.841 0.321 1.00 0.17 H new ATOM 0 HB3 TYR A 112 -12.112 -4.189 1.990 1.00 0.17 H new ATOM 0 HD1 TYR A 112 -9.410 -2.509 1.834 1.00 0.21 H new ATOM 0 HD2 TYR A 112 -13.477 -1.691 0.858 1.00 0.20 H new ATOM 0 HE1 TYR A 112 -9.032 -0.121 2.255 1.00 0.25 H new ATOM 0 HE2 TYR A 112 -13.103 0.689 1.292 1.00 0.23 H new ATOM 0 HH TYR A 112 -11.676 2.249 1.941 1.00 0.32 H new ATOM 1728 N ASN A 113 -11.714 -6.606 0.155 1.00 0.22 N ATOM 1729 CA ASN A 113 -12.027 -8.025 0.277 1.00 0.28 C ATOM 1730 C ASN A 113 -10.798 -8.874 -0.033 1.00 0.27 C ATOM 1731 O ASN A 113 -10.637 -9.965 0.503 1.00 0.31 O ATOM 1732 CB ASN A 113 -13.172 -8.392 -0.667 1.00 0.34 C ATOM 1733 CG ASN A 113 -13.695 -9.793 -0.427 1.00 1.02 C ATOM 1734 OD1 ASN A 113 -13.217 -10.764 -1.018 1.00 1.77 O ATOM 1735 ND2 ASN A 113 -14.680 -9.905 0.445 1.00 1.23 N ATOM 0 H ASN A 113 -12.284 -6.110 -0.530 1.00 0.22 H new ATOM 0 HA ASN A 113 -12.335 -8.225 1.303 1.00 0.28 H new ATOM 0 HB2 ASN A 113 -13.985 -7.677 -0.541 1.00 0.34 H new ATOM 0 HB3 ASN A 113 -12.830 -8.307 -1.698 1.00 0.34 H new ATOM 0 HD21 ASN A 113 -15.076 -10.822 0.653 1.00 1.23 H new ATOM 0 HD22 ASN A 113 -15.045 -9.075 0.911 1.00 1.23 H new ATOM 1742 N LYS A 114 -9.933 -8.357 -0.897 1.00 0.25 N ATOM 1743 CA LYS A 114 -8.662 -9.005 -1.203 1.00 0.24 C ATOM 1744 C LYS A 114 -7.760 -9.029 0.027 1.00 0.21 C ATOM 1745 O LYS A 114 -6.990 -9.966 0.228 1.00 0.23 O ATOM 1746 CB LYS A 114 -7.959 -8.269 -2.328 1.00 0.26 C ATOM 1747 CG LYS A 114 -8.635 -8.391 -3.676 1.00 0.34 C ATOM 1748 CD LYS A 114 -7.889 -9.371 -4.539 1.00 0.37 C ATOM 1749 CE LYS A 114 -8.310 -9.288 -5.984 1.00 0.48 C ATOM 1750 NZ LYS A 114 -7.560 -10.251 -6.832 1.00 1.25 N ATOM 0 H LYS A 114 -10.090 -7.485 -1.402 1.00 0.25 H new ATOM 0 HA LYS A 114 -8.868 -10.030 -1.511 1.00 0.24 H new ATOM 0 HB2 LYS A 114 -7.887 -7.213 -2.066 1.00 0.26 H new ATOM 0 HB3 LYS A 114 -6.940 -8.647 -2.411 1.00 0.26 H new ATOM 0 HG2 LYS A 114 -9.666 -8.720 -3.546 1.00 0.34 H new ATOM 0 HG3 LYS A 114 -8.670 -7.417 -4.164 1.00 0.34 H new ATOM 0 HD2 LYS A 114 -6.819 -9.180 -4.462 1.00 0.37 H new ATOM 0 HD3 LYS A 114 -8.060 -10.382 -4.169 1.00 0.37 H new ATOM 0 HE2 LYS A 114 -9.378 -9.489 -6.064 1.00 0.48 H new ATOM 0 HE3 LYS A 114 -8.147 -8.275 -6.353 1.00 0.48 H new ATOM 0 HZ1 LYS A 114 -7.877 -10.165 -7.819 1.00 1.25 H new ATOM 0 HZ2 LYS A 114 -6.542 -10.044 -6.776 1.00 1.25 H new ATOM 0 HZ3 LYS A 114 -7.735 -11.219 -6.496 1.00 1.25 H new ATOM 1764 N SER A 115 -7.847 -7.990 0.843 1.00 0.20 N ATOM 1765 CA SER A 115 -7.129 -7.965 2.104 1.00 0.21 C ATOM 1766 C SER A 115 -7.734 -9.003 3.040 1.00 0.25 C ATOM 1767 O SER A 115 -7.015 -9.749 3.695 1.00 0.28 O ATOM 1768 CB SER A 115 -7.190 -6.575 2.740 1.00 0.23 C ATOM 1769 OG SER A 115 -6.442 -6.526 3.938 1.00 1.04 O ATOM 0 H SER A 115 -8.405 -7.157 0.654 1.00 0.20 H new ATOM 0 HA SER A 115 -6.080 -8.201 1.922 1.00 0.21 H new ATOM 0 HB2 SER A 115 -6.806 -5.834 2.038 1.00 0.23 H new ATOM 0 HB3 SER A 115 -8.228 -6.312 2.945 1.00 0.23 H new ATOM 0 HG SER A 115 -5.753 -5.833 3.865 1.00 1.04 H new ATOM 1775 N LEU A 116 -9.068 -9.066 3.067 1.00 0.26 N ATOM 1776 CA LEU A 116 -9.771 -10.106 3.817 1.00 0.31 C ATOM 1777 C LEU A 116 -9.409 -11.488 3.269 1.00 0.33 C ATOM 1778 O LEU A 116 -9.528 -12.500 3.960 1.00 0.38 O ATOM 1779 CB LEU A 116 -11.301 -9.919 3.754 1.00 0.34 C ATOM 1780 CG LEU A 116 -11.906 -8.811 4.637 1.00 0.36 C ATOM 1781 CD1 LEU A 116 -11.274 -8.803 6.011 1.00 0.38 C ATOM 1782 CD2 LEU A 116 -11.778 -7.446 3.991 1.00 0.35 C ATOM 0 H LEU A 116 -9.679 -8.411 2.580 1.00 0.26 H new ATOM 0 HA LEU A 116 -9.458 -10.025 4.858 1.00 0.31 H new ATOM 0 HB2 LEU A 116 -11.575 -9.715 2.719 1.00 0.34 H new ATOM 0 HB3 LEU A 116 -11.770 -10.864 4.028 1.00 0.34 H new ATOM 0 HG LEU A 116 -12.968 -9.033 4.745 1.00 0.36 H new ATOM 0 HD11 LEU A 116 -11.720 -8.011 6.612 1.00 0.38 H new ATOM 0 HD12 LEU A 116 -11.443 -9.765 6.495 1.00 0.38 H new ATOM 0 HD13 LEU A 116 -10.202 -8.627 5.918 1.00 0.38 H new ATOM 0 HD21 LEU A 116 -12.216 -6.692 4.644 1.00 0.35 H new ATOM 0 HD22 LEU A 116 -10.725 -7.218 3.829 1.00 0.35 H new ATOM 0 HD23 LEU A 116 -12.301 -7.446 3.035 1.00 0.35 H new ATOM 1794 N ALA A 117 -8.972 -11.509 2.016 1.00 0.31 N ATOM 1795 CA ALA A 117 -8.595 -12.738 1.332 1.00 0.33 C ATOM 1796 C ALA A 117 -7.220 -13.226 1.782 1.00 0.33 C ATOM 1797 O ALA A 117 -6.989 -14.431 1.906 1.00 0.41 O ATOM 1798 CB ALA A 117 -8.617 -12.510 -0.178 1.00 0.32 C ATOM 0 H ALA A 117 -8.869 -10.671 1.444 1.00 0.31 H new ATOM 0 HA ALA A 117 -9.317 -13.513 1.590 1.00 0.33 H new ATOM 0 HB1 ALA A 117 -8.335 -13.430 -0.689 1.00 0.32 H new ATOM 0 HB2 ALA A 117 -9.620 -12.216 -0.487 1.00 0.32 H new ATOM 0 HB3 ALA A 117 -7.912 -11.720 -0.437 1.00 0.32 H new ATOM 1804 N GLU A 118 -6.309 -12.292 2.028 1.00 0.29 N ATOM 1805 CA GLU A 118 -4.953 -12.643 2.437 1.00 0.30 C ATOM 1806 C GLU A 118 -4.810 -12.638 3.958 1.00 0.32 C ATOM 1807 O GLU A 118 -4.342 -13.606 4.548 1.00 0.36 O ATOM 1808 CB GLU A 118 -3.942 -11.673 1.819 1.00 0.27 C ATOM 1809 CG GLU A 118 -3.878 -11.734 0.301 1.00 0.30 C ATOM 1810 CD GLU A 118 -3.607 -13.128 -0.226 1.00 0.41 C ATOM 1811 OE1 GLU A 118 -2.594 -13.738 0.180 1.00 0.53 O ATOM 1812 OE2 GLU A 118 -4.404 -13.625 -1.048 1.00 0.53 O ATOM 0 H GLU A 118 -6.483 -11.290 1.952 1.00 0.29 H new ATOM 0 HA GLU A 118 -4.751 -13.652 2.078 1.00 0.30 H new ATOM 0 HB2 GLU A 118 -4.196 -10.657 2.122 1.00 0.27 H new ATOM 0 HB3 GLU A 118 -2.953 -11.888 2.223 1.00 0.27 H new ATOM 0 HG2 GLU A 118 -4.820 -11.373 -0.111 1.00 0.30 H new ATOM 0 HG3 GLU A 118 -3.097 -11.060 -0.051 1.00 0.30 H new ATOM 1819 N HIS A 119 -5.241 -11.559 4.591 1.00 0.32 N ATOM 1820 CA HIS A 119 -5.102 -11.401 6.033 1.00 0.36 C ATOM 1821 C HIS A 119 -6.295 -10.626 6.588 1.00 0.37 C ATOM 1822 O HIS A 119 -6.330 -9.395 6.543 1.00 0.36 O ATOM 1823 CB HIS A 119 -3.756 -10.712 6.347 1.00 0.35 C ATOM 1824 CG HIS A 119 -3.558 -10.246 7.766 1.00 0.40 C ATOM 1825 ND1 HIS A 119 -2.637 -9.278 8.120 1.00 0.42 N ATOM 1826 CD2 HIS A 119 -4.131 -10.642 8.918 1.00 0.45 C ATOM 1827 CE1 HIS A 119 -2.655 -9.113 9.431 1.00 0.48 C ATOM 1828 NE2 HIS A 119 -3.552 -9.930 9.937 1.00 0.50 N ATOM 0 H HIS A 119 -5.694 -10.772 4.126 1.00 0.32 H new ATOM 0 HA HIS A 119 -5.096 -12.376 6.521 1.00 0.36 H new ATOM 0 HB2 HIS A 119 -2.952 -11.405 6.099 1.00 0.35 H new ATOM 0 HB3 HIS A 119 -3.650 -9.851 5.687 1.00 0.35 H new ATOM 0 HD2 HIS A 119 -4.907 -11.386 9.021 1.00 0.45 H new ATOM 0 HE1 HIS A 119 -2.039 -8.425 9.991 1.00 0.48 H new ATOM 0 HE2 HIS A 119 -3.780 -10.020 10.927 1.00 0.50 H new ATOM 1837 N ARG A 120 -7.266 -11.370 7.112 1.00 0.41 N ATOM 1838 CA ARG A 120 -8.501 -10.795 7.633 1.00 0.43 C ATOM 1839 C ARG A 120 -8.221 -9.857 8.798 1.00 0.46 C ATOM 1840 O ARG A 120 -7.817 -10.284 9.881 1.00 0.53 O ATOM 1841 CB ARG A 120 -9.468 -11.907 8.058 1.00 0.49 C ATOM 1842 CG ARG A 120 -10.749 -11.397 8.700 1.00 0.55 C ATOM 1843 CD ARG A 120 -11.805 -12.486 8.799 1.00 0.62 C ATOM 1844 NE ARG A 120 -11.377 -13.615 9.627 1.00 1.38 N ATOM 1845 CZ ARG A 120 -12.025 -14.779 9.691 1.00 1.78 C ATOM 1846 NH1 ARG A 120 -13.106 -14.980 8.945 1.00 1.57 N ATOM 1847 NH2 ARG A 120 -11.587 -15.743 10.492 1.00 2.87 N ATOM 0 H ARG A 120 -7.218 -12.386 7.187 1.00 0.41 H new ATOM 0 HA ARG A 120 -8.965 -10.212 6.838 1.00 0.43 H new ATOM 0 HB2 ARG A 120 -9.725 -12.506 7.184 1.00 0.49 H new ATOM 0 HB3 ARG A 120 -8.960 -12.569 8.760 1.00 0.49 H new ATOM 0 HG2 ARG A 120 -10.528 -11.014 9.696 1.00 0.55 H new ATOM 0 HG3 ARG A 120 -11.141 -10.563 8.117 1.00 0.55 H new ATOM 0 HD2 ARG A 120 -12.720 -12.063 9.214 1.00 0.62 H new ATOM 0 HD3 ARG A 120 -12.045 -12.845 7.798 1.00 0.62 H new ATOM 0 HE ARG A 120 -10.533 -13.505 10.189 1.00 1.38 H new ATOM 0 HH11 ARG A 120 -13.441 -14.244 8.323 1.00 1.57 H new ATOM 0 HH12 ARG A 120 -13.601 -15.870 8.994 1.00 1.57 H new ATOM 0 HH21 ARG A 120 -10.753 -15.594 11.060 1.00 2.87 H new ATOM 0 HH22 ARG A 120 -12.084 -16.632 10.539 1.00 2.87 H new ATOM 1861 N THR A 121 -8.430 -8.574 8.562 1.00 0.45 N ATOM 1862 CA THR A 121 -8.169 -7.559 9.560 1.00 0.50 C ATOM 1863 C THR A 121 -9.367 -6.635 9.731 1.00 0.49 C ATOM 1864 O THR A 121 -9.989 -6.194 8.761 1.00 0.47 O ATOM 1865 CB THR A 121 -6.923 -6.740 9.193 1.00 0.53 C ATOM 1866 OG1 THR A 121 -6.963 -6.374 7.810 1.00 0.52 O ATOM 1867 CG2 THR A 121 -5.657 -7.521 9.473 1.00 0.62 C ATOM 0 H THR A 121 -8.784 -8.210 7.677 1.00 0.45 H new ATOM 0 HA THR A 121 -7.988 -8.068 10.507 1.00 0.50 H new ATOM 0 HB THR A 121 -6.920 -5.840 9.808 1.00 0.53 H new ATOM 0 HG1 THR A 121 -6.165 -5.851 7.587 1.00 0.52 H new ATOM 0 HG21 THR A 121 -4.790 -6.917 9.204 1.00 0.62 H new ATOM 0 HG22 THR A 121 -5.610 -7.771 10.533 1.00 0.62 H new ATOM 0 HG23 THR A 121 -5.657 -8.438 8.884 1.00 0.62 H new ATOM 1875 N PRO A 122 -9.704 -6.381 11.005 1.00 0.56 N ATOM 1876 CA PRO A 122 -10.851 -5.565 11.434 1.00 0.56 C ATOM 1877 C PRO A 122 -10.991 -4.225 10.710 1.00 0.51 C ATOM 1878 O PRO A 122 -12.104 -3.814 10.393 1.00 0.50 O ATOM 1879 CB PRO A 122 -10.572 -5.322 12.928 1.00 0.65 C ATOM 1880 CG PRO A 122 -9.179 -5.804 13.145 1.00 0.76 C ATOM 1881 CD PRO A 122 -8.985 -6.902 12.170 1.00 0.69 C ATOM 0 HA PRO A 122 -11.786 -6.081 11.213 1.00 0.56 H new ATOM 0 HB2 PRO A 122 -10.668 -4.266 13.180 1.00 0.65 H new ATOM 0 HB3 PRO A 122 -11.279 -5.865 13.555 1.00 0.65 H new ATOM 0 HG2 PRO A 122 -8.457 -5.004 12.984 1.00 0.76 H new ATOM 0 HG3 PRO A 122 -9.040 -6.157 14.167 1.00 0.76 H new ATOM 0 HD2 PRO A 122 -7.931 -7.081 11.957 1.00 0.69 H new ATOM 0 HD3 PRO A 122 -9.403 -7.844 12.524 1.00 0.69 H new ATOM 1889 N ASP A 123 -9.877 -3.542 10.461 1.00 0.50 N ATOM 1890 CA ASP A 123 -9.923 -2.214 9.845 1.00 0.48 C ATOM 1891 C ASP A 123 -10.353 -2.288 8.392 1.00 0.40 C ATOM 1892 O ASP A 123 -11.146 -1.466 7.941 1.00 0.40 O ATOM 1893 CB ASP A 123 -8.580 -1.503 9.962 1.00 0.55 C ATOM 1894 CG ASP A 123 -8.571 -0.144 9.281 1.00 1.42 C ATOM 1895 OD1 ASP A 123 -9.175 0.809 9.824 1.00 2.20 O ATOM 1896 OD2 ASP A 123 -7.943 -0.013 8.214 1.00 2.06 O ATOM 0 H ASP A 123 -8.938 -3.880 10.673 1.00 0.50 H new ATOM 0 HA ASP A 123 -10.668 -1.635 10.390 1.00 0.48 H new ATOM 0 HB2 ASP A 123 -8.331 -1.378 11.016 1.00 0.55 H new ATOM 0 HB3 ASP A 123 -7.803 -2.129 9.523 1.00 0.55 H new ATOM 1901 N VAL A 124 -9.860 -3.276 7.657 1.00 0.35 N ATOM 1902 CA VAL A 124 -10.266 -3.422 6.268 1.00 0.29 C ATOM 1903 C VAL A 124 -11.695 -3.919 6.206 1.00 0.28 C ATOM 1904 O VAL A 124 -12.438 -3.576 5.298 1.00 0.28 O ATOM 1905 CB VAL A 124 -9.390 -4.392 5.467 1.00 0.28 C ATOM 1906 CG1 VAL A 124 -9.659 -4.221 3.983 1.00 0.32 C ATOM 1907 CG2 VAL A 124 -7.916 -4.204 5.767 1.00 0.31 C ATOM 0 H VAL A 124 -9.194 -3.973 7.990 1.00 0.35 H new ATOM 0 HA VAL A 124 -10.159 -2.435 5.819 1.00 0.29 H new ATOM 0 HB VAL A 124 -9.651 -5.407 5.767 1.00 0.28 H new ATOM 0 HG11 VAL A 124 -9.034 -4.913 3.418 1.00 0.32 H new ATOM 0 HG12 VAL A 124 -10.709 -4.430 3.777 1.00 0.32 H new ATOM 0 HG13 VAL A 124 -9.428 -3.198 3.687 1.00 0.32 H new ATOM 0 HG21 VAL A 124 -7.332 -4.911 5.178 1.00 0.31 H new ATOM 0 HG22 VAL A 124 -7.619 -3.187 5.511 1.00 0.31 H new ATOM 0 HG23 VAL A 124 -7.735 -4.379 6.828 1.00 0.31 H new ATOM 1917 N LEU A 125 -12.068 -4.740 7.176 1.00 0.35 N ATOM 1918 CA LEU A 125 -13.440 -5.203 7.301 1.00 0.38 C ATOM 1919 C LEU A 125 -14.350 -3.998 7.521 1.00 0.38 C ATOM 1920 O LEU A 125 -15.375 -3.842 6.856 1.00 0.38 O ATOM 1921 CB LEU A 125 -13.539 -6.199 8.465 1.00 0.45 C ATOM 1922 CG LEU A 125 -14.865 -6.952 8.604 1.00 0.51 C ATOM 1923 CD1 LEU A 125 -14.647 -8.251 9.360 1.00 0.61 C ATOM 1924 CD2 LEU A 125 -15.902 -6.106 9.328 1.00 0.54 C ATOM 0 H LEU A 125 -11.436 -5.100 7.891 1.00 0.35 H new ATOM 0 HA LEU A 125 -13.755 -5.715 6.392 1.00 0.38 H new ATOM 0 HB2 LEU A 125 -12.739 -6.932 8.357 1.00 0.45 H new ATOM 0 HB3 LEU A 125 -13.353 -5.659 9.394 1.00 0.45 H new ATOM 0 HG LEU A 125 -15.237 -7.170 7.603 1.00 0.51 H new ATOM 0 HD11 LEU A 125 -15.595 -8.780 9.455 1.00 0.61 H new ATOM 0 HD12 LEU A 125 -13.936 -8.874 8.816 1.00 0.61 H new ATOM 0 HD13 LEU A 125 -14.253 -8.033 10.353 1.00 0.61 H new ATOM 0 HD21 LEU A 125 -16.834 -6.666 9.412 1.00 0.54 H new ATOM 0 HD22 LEU A 125 -15.537 -5.857 10.324 1.00 0.54 H new ATOM 0 HD23 LEU A 125 -16.080 -5.189 8.767 1.00 0.54 H new ATOM 1936 N LYS A 126 -13.940 -3.147 8.451 1.00 0.40 N ATOM 1937 CA LYS A 126 -14.610 -1.883 8.715 1.00 0.42 C ATOM 1938 C LYS A 126 -14.695 -1.045 7.443 1.00 0.39 C ATOM 1939 O LYS A 126 -15.764 -0.582 7.057 1.00 0.43 O ATOM 1940 CB LYS A 126 -13.837 -1.124 9.796 1.00 0.48 C ATOM 1941 CG LYS A 126 -14.339 0.287 10.051 1.00 0.58 C ATOM 1942 CD LYS A 126 -13.499 0.996 11.104 1.00 0.72 C ATOM 1943 CE LYS A 126 -13.537 0.276 12.445 1.00 1.37 C ATOM 1944 NZ LYS A 126 -14.922 0.136 12.966 1.00 2.04 N ATOM 0 H LYS A 126 -13.129 -3.316 9.046 1.00 0.40 H new ATOM 0 HA LYS A 126 -15.625 -2.080 9.060 1.00 0.42 H new ATOM 0 HB2 LYS A 126 -13.888 -1.689 10.727 1.00 0.48 H new ATOM 0 HB3 LYS A 126 -12.786 -1.077 9.509 1.00 0.48 H new ATOM 0 HG2 LYS A 126 -14.316 0.856 9.122 1.00 0.58 H new ATOM 0 HG3 LYS A 126 -15.379 0.251 10.377 1.00 0.58 H new ATOM 0 HD2 LYS A 126 -12.467 1.065 10.759 1.00 0.72 H new ATOM 0 HD3 LYS A 126 -13.861 2.016 11.230 1.00 0.72 H new ATOM 0 HE2 LYS A 126 -13.089 -0.712 12.338 1.00 1.37 H new ATOM 0 HE3 LYS A 126 -12.932 0.824 13.167 1.00 1.37 H new ATOM 0 HZ1 LYS A 126 -14.891 -0.203 13.949 1.00 2.04 H new ATOM 0 HZ2 LYS A 126 -15.400 1.059 12.933 1.00 2.04 H new ATOM 0 HZ3 LYS A 126 -15.446 -0.546 12.381 1.00 2.04 H new ATOM 1958 N LYS A 127 -13.552 -0.886 6.794 1.00 0.33 N ATOM 1959 CA LYS A 127 -13.432 -0.086 5.581 1.00 0.31 C ATOM 1960 C LYS A 127 -14.253 -0.656 4.440 1.00 0.27 C ATOM 1961 O LYS A 127 -14.840 0.086 3.654 1.00 0.27 O ATOM 1962 CB LYS A 127 -11.965 -0.007 5.172 1.00 0.31 C ATOM 1963 CG LYS A 127 -11.255 1.237 5.684 1.00 0.52 C ATOM 1964 CD LYS A 127 -11.628 1.558 7.124 1.00 0.55 C ATOM 1965 CE LYS A 127 -11.105 2.920 7.541 1.00 0.82 C ATOM 1966 NZ LYS A 127 -9.755 2.833 8.157 1.00 1.48 N ATOM 0 H LYS A 127 -12.675 -1.311 7.095 1.00 0.33 H new ATOM 0 HA LYS A 127 -13.818 0.910 5.796 1.00 0.31 H new ATOM 0 HB2 LYS A 127 -11.445 -0.890 5.543 1.00 0.31 H new ATOM 0 HB3 LYS A 127 -11.898 -0.031 4.084 1.00 0.31 H new ATOM 0 HG2 LYS A 127 -10.177 1.094 5.613 1.00 0.52 H new ATOM 0 HG3 LYS A 127 -11.506 2.085 5.047 1.00 0.52 H new ATOM 0 HD2 LYS A 127 -12.712 1.533 7.235 1.00 0.55 H new ATOM 0 HD3 LYS A 127 -11.222 0.793 7.786 1.00 0.55 H new ATOM 0 HE2 LYS A 127 -11.065 3.575 6.671 1.00 0.82 H new ATOM 0 HE3 LYS A 127 -11.798 3.373 8.249 1.00 0.82 H new ATOM 0 HZ1 LYS A 127 -9.506 3.750 8.579 1.00 1.48 H new ATOM 0 HZ2 LYS A 127 -9.757 2.101 8.896 1.00 1.48 H new ATOM 0 HZ3 LYS A 127 -9.056 2.586 7.428 1.00 1.48 H new ATOM 1980 N CYS A 128 -14.287 -1.969 4.355 1.00 0.27 N ATOM 1981 CA CYS A 128 -14.989 -2.643 3.287 1.00 0.26 C ATOM 1982 C CYS A 128 -16.489 -2.400 3.416 1.00 0.29 C ATOM 1983 O CYS A 128 -17.163 -2.075 2.439 1.00 0.32 O ATOM 1984 CB CYS A 128 -14.677 -4.143 3.322 1.00 0.26 C ATOM 1985 SG CYS A 128 -15.314 -5.078 1.915 1.00 0.91 S ATOM 0 H CYS A 128 -13.832 -2.594 5.020 1.00 0.27 H new ATOM 0 HA CYS A 128 -14.656 -2.244 2.329 1.00 0.26 H new ATOM 0 HB2 CYS A 128 -13.596 -4.275 3.369 1.00 0.26 H new ATOM 0 HB3 CYS A 128 -15.090 -4.565 4.238 1.00 0.26 H new ATOM 0 HG CYS A 128 -14.992 -6.331 2.045 1.00 0.91 H new ATOM 1991 N GLN A 129 -16.995 -2.532 4.640 1.00 0.32 N ATOM 1992 CA GLN A 129 -18.399 -2.268 4.921 1.00 0.36 C ATOM 1993 C GLN A 129 -18.697 -0.782 4.780 1.00 0.32 C ATOM 1994 O GLN A 129 -19.802 -0.387 4.404 1.00 0.35 O ATOM 1995 CB GLN A 129 -18.762 -2.728 6.332 1.00 0.44 C ATOM 1996 CG GLN A 129 -18.577 -4.218 6.554 1.00 0.50 C ATOM 1997 CD GLN A 129 -18.849 -4.641 7.985 1.00 0.60 C ATOM 1998 OE1 GLN A 129 -19.281 -5.766 8.242 1.00 1.38 O ATOM 1999 NE2 GLN A 129 -18.596 -3.750 8.931 1.00 1.10 N ATOM 0 H GLN A 129 -16.450 -2.821 5.453 1.00 0.32 H new ATOM 0 HA GLN A 129 -18.998 -2.825 4.201 1.00 0.36 H new ATOM 0 HB2 GLN A 129 -18.150 -2.184 7.051 1.00 0.44 H new ATOM 0 HB3 GLN A 129 -19.800 -2.466 6.534 1.00 0.44 H new ATOM 0 HG2 GLN A 129 -19.243 -4.765 5.886 1.00 0.50 H new ATOM 0 HG3 GLN A 129 -17.558 -4.496 6.286 1.00 0.50 H new ATOM 0 HE21 GLN A 129 -18.239 -2.828 8.681 1.00 1.10 H new ATOM 0 HE22 GLN A 129 -18.758 -3.986 9.910 1.00 1.10 H new ATOM 2008 N GLN A 130 -17.698 0.034 5.087 1.00 0.31 N ATOM 2009 CA GLN A 130 -17.834 1.478 5.019 1.00 0.30 C ATOM 2010 C GLN A 130 -17.960 1.937 3.572 1.00 0.26 C ATOM 2011 O GLN A 130 -18.825 2.736 3.242 1.00 0.27 O ATOM 2012 CB GLN A 130 -16.632 2.159 5.675 1.00 0.34 C ATOM 2013 CG GLN A 130 -16.873 3.616 6.034 1.00 0.41 C ATOM 2014 CD GLN A 130 -15.637 4.296 6.588 1.00 0.94 C ATOM 2015 OE1 GLN A 130 -14.772 3.657 7.191 1.00 1.72 O ATOM 2016 NE2 GLN A 130 -15.556 5.604 6.409 1.00 1.65 N ATOM 0 H GLN A 130 -16.777 -0.286 5.388 1.00 0.31 H new ATOM 0 HA GLN A 130 -18.739 1.759 5.557 1.00 0.30 H new ATOM 0 HB2 GLN A 130 -16.364 1.611 6.579 1.00 0.34 H new ATOM 0 HB3 GLN A 130 -15.778 2.097 5.000 1.00 0.34 H new ATOM 0 HG2 GLN A 130 -17.211 4.153 5.148 1.00 0.41 H new ATOM 0 HG3 GLN A 130 -17.676 3.677 6.769 1.00 0.41 H new ATOM 0 HE21 GLN A 130 -16.293 6.096 5.904 1.00 1.65 H new ATOM 0 HE22 GLN A 130 -14.756 6.120 6.776 1.00 1.65 H new ATOM 2025 N ALA A 131 -17.110 1.411 2.705 1.00 0.23 N ATOM 2026 CA ALA A 131 -17.088 1.848 1.318 1.00 0.21 C ATOM 2027 C ALA A 131 -18.387 1.520 0.594 1.00 0.23 C ATOM 2028 O ALA A 131 -18.849 2.308 -0.224 1.00 0.29 O ATOM 2029 CB ALA A 131 -15.908 1.248 0.582 1.00 0.20 C ATOM 0 H ALA A 131 -16.430 0.686 2.934 1.00 0.23 H new ATOM 0 HA ALA A 131 -16.982 2.933 1.327 1.00 0.21 H new ATOM 0 HB1 ALA A 131 -15.913 1.589 -0.453 1.00 0.20 H new ATOM 0 HB2 ALA A 131 -14.982 1.562 1.063 1.00 0.20 H new ATOM 0 HB3 ALA A 131 -15.979 0.161 0.606 1.00 0.20 H new ATOM 2035 N GLU A 132 -18.982 0.371 0.892 1.00 0.26 N ATOM 2036 CA GLU A 132 -20.221 -0.016 0.225 1.00 0.35 C ATOM 2037 C GLU A 132 -21.402 0.816 0.718 1.00 0.35 C ATOM 2038 O GLU A 132 -22.284 1.171 -0.064 1.00 0.43 O ATOM 2039 CB GLU A 132 -20.501 -1.518 0.373 1.00 0.48 C ATOM 2040 CG GLU A 132 -20.292 -2.065 1.768 1.00 1.02 C ATOM 2041 CD GLU A 132 -20.861 -3.458 1.935 1.00 1.24 C ATOM 2042 OE1 GLU A 132 -20.212 -4.432 1.499 1.00 2.04 O ATOM 2043 OE2 GLU A 132 -21.963 -3.589 2.508 1.00 1.41 O ATOM 0 H GLU A 132 -18.635 -0.299 1.578 1.00 0.26 H new ATOM 0 HA GLU A 132 -20.091 0.188 -0.838 1.00 0.35 H new ATOM 0 HB2 GLU A 132 -21.530 -1.714 0.071 1.00 0.48 H new ATOM 0 HB3 GLU A 132 -19.857 -2.064 -0.317 1.00 0.48 H new ATOM 0 HG2 GLU A 132 -19.225 -2.082 1.992 1.00 1.02 H new ATOM 0 HG3 GLU A 132 -20.759 -1.396 2.491 1.00 1.02 H new ATOM 2050 N LYS A 133 -21.418 1.150 2.006 1.00 0.32 N ATOM 2051 CA LYS A 133 -22.472 2.008 2.535 1.00 0.36 C ATOM 2052 C LYS A 133 -22.277 3.435 2.029 1.00 0.37 C ATOM 2053 O LYS A 133 -23.247 4.139 1.740 1.00 0.46 O ATOM 2054 CB LYS A 133 -22.518 1.961 4.071 1.00 0.37 C ATOM 2055 CG LYS A 133 -21.263 2.479 4.753 1.00 0.36 C ATOM 2056 CD LYS A 133 -21.253 2.181 6.245 1.00 0.66 C ATOM 2057 CE LYS A 133 -22.340 2.945 6.986 1.00 1.04 C ATOM 2058 NZ LYS A 133 -22.136 4.415 6.916 1.00 1.90 N ATOM 0 H LYS A 133 -20.726 0.846 2.691 1.00 0.32 H new ATOM 0 HA LYS A 133 -23.433 1.638 2.178 1.00 0.36 H new ATOM 0 HB2 LYS A 133 -23.371 2.546 4.415 1.00 0.37 H new ATOM 0 HB3 LYS A 133 -22.689 0.932 4.386 1.00 0.37 H new ATOM 0 HG2 LYS A 133 -20.387 2.027 4.288 1.00 0.36 H new ATOM 0 HG3 LYS A 133 -21.186 3.555 4.599 1.00 0.36 H new ATOM 0 HD2 LYS A 133 -21.391 1.111 6.402 1.00 0.66 H new ATOM 0 HD3 LYS A 133 -20.279 2.441 6.660 1.00 0.66 H new ATOM 0 HE2 LYS A 133 -23.312 2.694 6.562 1.00 1.04 H new ATOM 0 HE3 LYS A 133 -22.356 2.631 8.030 1.00 1.04 H new ATOM 0 HZ1 LYS A 133 -22.758 4.885 7.605 1.00 1.90 H new ATOM 0 HZ2 LYS A 133 -21.144 4.639 7.136 1.00 1.90 H new ATOM 0 HZ3 LYS A 133 -22.363 4.752 5.959 1.00 1.90 H new ATOM 2072 N ILE A 134 -21.014 3.835 1.897 1.00 0.32 N ATOM 2073 CA ILE A 134 -20.659 5.129 1.321 1.00 0.34 C ATOM 2074 C ILE A 134 -21.058 5.193 -0.144 1.00 0.39 C ATOM 2075 O ILE A 134 -21.649 6.170 -0.595 1.00 0.48 O ATOM 2076 CB ILE A 134 -19.138 5.394 1.423 1.00 0.31 C ATOM 2077 CG1 ILE A 134 -18.718 5.665 2.857 1.00 0.32 C ATOM 2078 CG2 ILE A 134 -18.730 6.556 0.551 1.00 0.34 C ATOM 2079 CD1 ILE A 134 -17.223 5.830 3.024 1.00 0.33 C ATOM 0 H ILE A 134 -20.212 3.274 2.185 1.00 0.32 H new ATOM 0 HA ILE A 134 -21.197 5.888 1.889 1.00 0.34 H new ATOM 0 HB ILE A 134 -18.633 4.493 1.075 1.00 0.31 H new ATOM 0 HG12 ILE A 134 -19.217 6.567 3.210 1.00 0.32 H new ATOM 0 HG13 ILE A 134 -19.058 4.845 3.489 1.00 0.32 H new ATOM 0 HG21 ILE A 134 -17.656 6.720 0.642 1.00 0.34 H new ATOM 0 HG22 ILE A 134 -18.977 6.336 -0.488 1.00 0.34 H new ATOM 0 HG23 ILE A 134 -19.262 7.453 0.868 1.00 0.34 H new ATOM 0 HD11 ILE A 134 -16.993 6.021 4.072 1.00 0.33 H new ATOM 0 HD12 ILE A 134 -16.718 4.919 2.702 1.00 0.33 H new ATOM 0 HD13 ILE A 134 -16.880 6.669 2.418 1.00 0.33 H new ATOM 2091 N LEU A 135 -20.724 4.146 -0.886 1.00 0.38 N ATOM 2092 CA LEU A 135 -21.021 4.090 -2.307 1.00 0.48 C ATOM 2093 C LEU A 135 -22.526 4.153 -2.537 1.00 0.58 C ATOM 2094 O LEU A 135 -22.985 4.684 -3.545 1.00 0.71 O ATOM 2095 CB LEU A 135 -20.429 2.822 -2.924 1.00 0.51 C ATOM 2096 CG LEU A 135 -20.547 2.721 -4.444 1.00 0.59 C ATOM 2097 CD1 LEU A 135 -19.803 3.855 -5.135 1.00 1.33 C ATOM 2098 CD2 LEU A 135 -20.039 1.371 -4.924 1.00 1.37 C ATOM 0 H LEU A 135 -20.245 3.322 -0.524 1.00 0.38 H new ATOM 0 HA LEU A 135 -20.565 4.952 -2.794 1.00 0.48 H new ATOM 0 HB2 LEU A 135 -19.375 2.763 -2.653 1.00 0.51 H new ATOM 0 HB3 LEU A 135 -20.921 1.957 -2.479 1.00 0.51 H new ATOM 0 HG LEU A 135 -21.601 2.811 -4.708 1.00 0.59 H new ATOM 0 HD11 LEU A 135 -19.907 3.753 -6.215 1.00 1.33 H new ATOM 0 HD12 LEU A 135 -20.221 4.811 -4.818 1.00 1.33 H new ATOM 0 HD13 LEU A 135 -18.747 3.814 -4.867 1.00 1.33 H new ATOM 0 HD21 LEU A 135 -20.129 1.313 -6.009 1.00 1.37 H new ATOM 0 HD22 LEU A 135 -18.993 1.254 -4.640 1.00 1.37 H new ATOM 0 HD23 LEU A 135 -20.630 0.577 -4.468 1.00 1.37 H new ATOM 2110 N LYS A 136 -23.287 3.635 -1.578 1.00 0.58 N ATOM 2111 CA LYS A 136 -24.741 3.722 -1.623 1.00 0.72 C ATOM 2112 C LYS A 136 -25.187 5.178 -1.509 1.00 0.77 C ATOM 2113 O LYS A 136 -26.200 5.577 -2.085 1.00 0.91 O ATOM 2114 CB LYS A 136 -25.360 2.884 -0.505 1.00 0.79 C ATOM 2115 CG LYS A 136 -26.884 2.878 -0.515 1.00 1.26 C ATOM 2116 CD LYS A 136 -27.468 2.018 0.600 1.00 1.73 C ATOM 2117 CE LYS A 136 -27.515 2.741 1.945 1.00 2.54 C ATOM 2118 NZ LYS A 136 -26.163 3.049 2.488 1.00 3.36 N ATOM 0 H LYS A 136 -22.919 3.150 -0.759 1.00 0.58 H new ATOM 0 HA LYS A 136 -25.084 3.327 -2.579 1.00 0.72 H new ATOM 0 HB2 LYS A 136 -25.001 1.858 -0.591 1.00 0.79 H new ATOM 0 HB3 LYS A 136 -25.013 3.264 0.456 1.00 0.79 H new ATOM 0 HG2 LYS A 136 -27.250 3.900 -0.412 1.00 1.26 H new ATOM 0 HG3 LYS A 136 -27.237 2.509 -1.478 1.00 1.26 H new ATOM 0 HD2 LYS A 136 -28.476 1.709 0.324 1.00 1.73 H new ATOM 0 HD3 LYS A 136 -26.873 1.110 0.702 1.00 1.73 H new ATOM 0 HE2 LYS A 136 -28.075 3.669 1.833 1.00 2.54 H new ATOM 0 HE3 LYS A 136 -28.057 2.126 2.663 1.00 2.54 H new ATOM 0 HZ1 LYS A 136 -26.222 3.168 3.519 1.00 3.36 H new ATOM 0 HZ2 LYS A 136 -25.514 2.268 2.266 1.00 3.36 H new ATOM 0 HZ3 LYS A 136 -25.808 3.927 2.058 1.00 3.36 H new ATOM 2132 N GLU A 137 -24.415 5.969 -0.769 1.00 0.70 N ATOM 2133 CA GLU A 137 -24.689 7.393 -0.620 1.00 0.82 C ATOM 2134 C GLU A 137 -24.246 8.143 -1.870 1.00 0.87 C ATOM 2135 O GLU A 137 -24.767 9.210 -2.189 1.00 1.03 O ATOM 2136 CB GLU A 137 -23.952 7.969 0.596 1.00 0.82 C ATOM 2137 CG GLU A 137 -24.064 7.120 1.850 1.00 1.02 C ATOM 2138 CD GLU A 137 -23.548 7.830 3.084 1.00 1.61 C ATOM 2139 OE1 GLU A 137 -22.324 7.782 3.334 1.00 2.28 O ATOM 2140 OE2 GLU A 137 -24.358 8.442 3.810 1.00 2.01 O ATOM 0 H GLU A 137 -23.592 5.645 -0.262 1.00 0.70 H new ATOM 0 HA GLU A 137 -25.762 7.515 -0.474 1.00 0.82 H new ATOM 0 HB2 GLU A 137 -22.898 8.089 0.345 1.00 0.82 H new ATOM 0 HB3 GLU A 137 -24.345 8.964 0.808 1.00 0.82 H new ATOM 0 HG2 GLU A 137 -25.107 6.843 2.004 1.00 1.02 H new ATOM 0 HG3 GLU A 137 -23.506 6.194 1.708 1.00 1.02 H new ATOM 2147 N GLN A 138 -23.276 7.570 -2.571 1.00 0.80 N ATOM 2148 CA GLN A 138 -22.700 8.195 -3.751 1.00 0.89 C ATOM 2149 C GLN A 138 -23.609 8.040 -4.965 1.00 1.04 C ATOM 2150 O GLN A 138 -23.814 8.992 -5.720 1.00 1.19 O ATOM 2151 CB GLN A 138 -21.327 7.597 -4.039 1.00 0.87 C ATOM 2152 CG GLN A 138 -20.321 7.866 -2.937 1.00 0.80 C ATOM 2153 CD GLN A 138 -19.922 9.327 -2.847 1.00 1.08 C ATOM 2154 OE1 GLN A 138 -19.927 10.046 -3.845 1.00 1.75 O ATOM 2155 NE2 GLN A 138 -19.570 9.775 -1.653 1.00 1.60 N ATOM 0 H GLN A 138 -22.869 6.664 -2.338 1.00 0.80 H new ATOM 0 HA GLN A 138 -22.594 9.261 -3.550 1.00 0.89 H new ATOM 0 HB2 GLN A 138 -21.427 6.520 -4.177 1.00 0.87 H new ATOM 0 HB3 GLN A 138 -20.949 8.005 -4.976 1.00 0.87 H new ATOM 0 HG2 GLN A 138 -20.742 7.550 -1.982 1.00 0.80 H new ATOM 0 HG3 GLN A 138 -19.431 7.261 -3.109 1.00 0.80 H new ATOM 0 HE21 GLN A 138 -19.579 9.147 -0.850 1.00 1.60 H new ATOM 0 HE22 GLN A 138 -19.290 10.749 -1.536 1.00 1.60 H new ATOM 2164 N GLU A 139 -24.153 6.841 -5.152 1.00 1.14 N ATOM 2165 CA GLU A 139 -25.032 6.578 -6.283 1.00 1.35 C ATOM 2166 C GLU A 139 -26.428 7.155 -6.034 1.00 1.86 C ATOM 2167 O GLU A 139 -27.277 6.470 -5.425 1.00 2.30 O ATOM 2168 CB GLU A 139 -25.103 5.073 -6.588 1.00 1.47 C ATOM 2169 CG GLU A 139 -25.472 4.201 -5.397 1.00 1.46 C ATOM 2170 CD GLU A 139 -25.824 2.787 -5.803 1.00 2.03 C ATOM 2171 OE1 GLU A 139 -26.878 2.597 -6.447 1.00 2.99 O ATOM 2172 OE2 GLU A 139 -25.051 1.858 -5.490 1.00 1.94 O ATOM 2173 OXT GLU A 139 -26.670 8.304 -6.447 1.00 2.51 O ATOM 0 H GLU A 139 -24.001 6.041 -4.538 1.00 1.14 H new ATOM 0 HA GLU A 139 -24.613 7.076 -7.158 1.00 1.35 H new ATOM 0 HB2 GLU A 139 -25.834 4.911 -7.380 1.00 1.47 H new ATOM 0 HB3 GLU A 139 -24.137 4.748 -6.974 1.00 1.47 H new ATOM 0 HG2 GLU A 139 -24.638 4.177 -4.695 1.00 1.46 H new ATOM 0 HG3 GLU A 139 -26.317 4.646 -4.872 1.00 1.46 H new TER 2180 GLU A 139