USER MOD reduce.3.24.130724 H: found=0, std=0, add=411, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 414 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 114 SER OG : rot 180:sc= 0.81 USER MOD Set 1.2: A 117 SER OG : rot 160:sc= -0.88! USER MOD Set 2.1: A 89 ASN : amide:sc= 0.924 K(o=1.7,f=-4.6!) USER MOD Set 2.2: A 108 HIS : no HD1:sc= 0.796 K(o=1.7,f=-6.1!) USER MOD Set 3.1: A 85 SER OG : rot 3:sc= 0.305 USER MOD Set 3.2: A 87 ASN : amide:sc= 0.249 K(o=0.55,f=1.6) USER MOD Single : A 32 GLN : amide:sc= -1.83! X(o=-1.8!,f=-1.5) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= 0.0114 X(o=0.011,f=0) USER MOD Single : A 78 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0792) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= -0.149 USER MOD Single : A 91 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 LYS NZ :NH3+ 145:sc= 1.31 (180deg=1.11) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 MET CE :methyl -152:sc= -0.255 (180deg=-1.12) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ -160:sc= -0.0628 (180deg=-0.365) USER MOD Single : A 118 TYR OH : rot 28:sc= 0.242 USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 50 N GLY A 29 6.325 -3.042 -6.233 1.00 1.43 N ATOM 51 CA GLY A 29 5.610 -2.015 -5.512 1.00 0.99 C ATOM 52 C GLY A 29 4.453 -1.450 -6.304 1.00 0.78 C ATOM 53 O GLY A 29 4.510 -0.313 -6.774 1.00 1.00 O ATOM 0 HA2 GLY A 29 5.237 -2.427 -4.574 1.00 0.99 H new ATOM 0 HA3 GLY A 29 6.298 -1.210 -5.256 1.00 0.99 H new ATOM 57 N ALA A 30 3.413 -2.247 -6.474 1.00 0.70 N ATOM 58 CA ALA A 30 2.198 -1.786 -7.126 1.00 0.54 C ATOM 59 C ALA A 30 1.008 -2.622 -6.675 1.00 0.49 C ATOM 60 O ALA A 30 0.814 -3.746 -7.137 1.00 0.60 O ATOM 61 CB ALA A 30 2.341 -1.847 -8.639 1.00 0.68 C ATOM 0 H ALA A 30 3.385 -3.220 -6.169 1.00 0.70 H new ATOM 0 HA ALA A 30 2.028 -0.748 -6.840 1.00 0.54 H new ATOM 0 HB1 ALA A 30 1.420 -1.498 -9.106 1.00 0.68 H new ATOM 0 HB2 ALA A 30 3.170 -1.212 -8.952 1.00 0.68 H new ATOM 0 HB3 ALA A 30 2.535 -2.875 -8.945 1.00 0.68 H new ATOM 67 N ILE A 31 0.224 -2.077 -5.767 1.00 0.40 N ATOM 68 CA ILE A 31 -0.931 -2.779 -5.230 1.00 0.39 C ATOM 69 C ILE A 31 -2.111 -1.835 -5.077 1.00 0.35 C ATOM 70 O ILE A 31 -1.932 -0.659 -4.789 1.00 0.36 O ATOM 71 CB ILE A 31 -0.648 -3.369 -4.073 1.00 0.46 C ATOM 72 CG1 ILE A 31 -1.857 -4.082 -3.474 1.00 0.48 C ATOM 73 CG2 ILE A 31 -0.034 -2.388 -3.077 1.00 0.52 C ATOM 74 CD1 ILE A 31 -1.641 -4.585 -2.062 1.00 0.90 C ATOM 0 H ILE A 31 0.365 -1.143 -5.381 1.00 0.40 H new ATOM 0 HA ILE A 31 -1.203 -3.559 -5.941 1.00 0.39 H new ATOM 0 HB ILE A 31 0.097 -4.134 -4.289 1.00 0.46 H new ATOM 0 HG12 ILE A 31 -2.707 -3.400 -3.479 1.00 0.48 H new ATOM 0 HG13 ILE A 31 -2.121 -4.925 -4.112 1.00 0.48 H new ATOM 0 HG21 ILE A 31 0.184 -2.906 -2.143 1.00 0.52 H new ATOM 0 HG22 ILE A 31 0.889 -1.980 -3.490 1.00 0.52 H new ATOM 0 HG23 ILE A 31 -0.736 -1.576 -2.886 1.00 0.52 H new ATOM 0 HD11 ILE A 31 -2.546 -5.079 -1.709 1.00 0.90 H new ATOM 0 HD12 ILE A 31 -0.813 -5.294 -2.051 1.00 0.90 H new ATOM 0 HD13 ILE A 31 -1.408 -3.745 -1.408 1.00 0.90 H new ATOM 86 N GLN A 32 -3.296 -2.324 -5.380 1.00 0.38 N ATOM 87 CA GLN A 32 -4.500 -1.548 -5.156 1.00 0.40 C ATOM 88 C GLN A 32 -5.321 -2.153 -4.035 1.00 0.37 C ATOM 89 O GLN A 32 -5.641 -3.347 -4.045 1.00 0.44 O ATOM 90 CB GLN A 32 -5.351 -1.417 -6.422 1.00 0.50 C ATOM 91 CG GLN A 32 -5.874 -2.725 -6.996 1.00 0.55 C ATOM 92 CD GLN A 32 -7.061 -2.548 -7.937 1.00 1.11 C ATOM 93 OE1 GLN A 32 -7.213 -3.299 -8.898 1.00 2.22 O ATOM 94 NE2 GLN A 32 -7.935 -1.586 -7.659 1.00 0.93 N ATOM 0 H GLN A 32 -3.452 -3.249 -5.780 1.00 0.38 H new ATOM 0 HA GLN A 32 -4.184 -0.545 -4.870 1.00 0.40 H new ATOM 0 HB2 GLN A 32 -6.201 -0.771 -6.203 1.00 0.50 H new ATOM 0 HB3 GLN A 32 -4.758 -0.915 -7.187 1.00 0.50 H new ATOM 0 HG2 GLN A 32 -5.067 -3.225 -7.532 1.00 0.55 H new ATOM 0 HG3 GLN A 32 -6.166 -3.381 -6.176 1.00 0.55 H new ATOM 0 HE21 GLN A 32 -7.784 -0.977 -6.855 1.00 0.93 H new ATOM 0 HE22 GLN A 32 -8.756 -1.457 -8.250 1.00 0.93 H new ATOM 103 N LEU A 33 -5.643 -1.333 -3.059 1.00 0.34 N ATOM 104 CA LEU A 33 -6.479 -1.782 -1.959 1.00 0.36 C ATOM 105 C LEU A 33 -7.705 -0.895 -1.824 1.00 0.35 C ATOM 106 O LEU A 33 -7.693 0.273 -2.216 1.00 0.43 O ATOM 107 CB LEU A 33 -5.667 -1.864 -0.660 1.00 0.45 C ATOM 108 CG LEU A 33 -5.117 -0.540 -0.106 1.00 0.46 C ATOM 109 CD1 LEU A 33 -6.173 0.218 0.689 1.00 0.72 C ATOM 110 CD2 LEU A 33 -3.889 -0.800 0.752 1.00 0.71 C ATOM 0 H LEU A 33 -5.344 -0.360 -3.001 1.00 0.34 H new ATOM 0 HA LEU A 33 -6.836 -2.789 -2.173 1.00 0.36 H new ATOM 0 HB2 LEU A 33 -6.295 -2.319 0.106 1.00 0.45 H new ATOM 0 HB3 LEU A 33 -4.827 -2.539 -0.826 1.00 0.45 H new ATOM 0 HG LEU A 33 -4.833 0.084 -0.953 1.00 0.46 H new ATOM 0 HD11 LEU A 33 -5.747 1.148 1.065 1.00 0.72 H new ATOM 0 HD12 LEU A 33 -7.023 0.442 0.044 1.00 0.72 H new ATOM 0 HD13 LEU A 33 -6.506 -0.394 1.528 1.00 0.72 H new ATOM 0 HD21 LEU A 33 -3.509 0.145 1.139 1.00 0.71 H new ATOM 0 HD22 LEU A 33 -4.158 -1.451 1.584 1.00 0.71 H new ATOM 0 HD23 LEU A 33 -3.119 -1.281 0.149 1.00 0.71 H new ATOM 122 N ASP A 34 -8.769 -1.458 -1.290 1.00 0.35 N ATOM 123 CA ASP A 34 -10.052 -0.767 -1.266 1.00 0.45 C ATOM 124 C ASP A 34 -10.193 0.161 -0.055 1.00 0.53 C ATOM 125 O ASP A 34 -10.280 -0.282 1.083 1.00 0.58 O ATOM 126 CB ASP A 34 -11.206 -1.786 -1.352 1.00 0.55 C ATOM 127 CG ASP A 34 -12.075 -1.865 -0.106 1.00 0.65 C ATOM 128 OD1 ASP A 34 -13.132 -1.198 -0.064 1.00 0.88 O ATOM 129 OD2 ASP A 34 -11.691 -2.583 0.843 1.00 1.15 O ATOM 0 H ASP A 34 -8.777 -2.386 -0.868 1.00 0.35 H new ATOM 0 HA ASP A 34 -10.101 -0.121 -2.143 1.00 0.45 H new ATOM 0 HB2 ASP A 34 -11.837 -1.530 -2.203 1.00 0.55 H new ATOM 0 HB3 ASP A 34 -10.788 -2.773 -1.551 1.00 0.55 H new ATOM 134 N GLY A 35 -10.076 1.458 -0.366 1.00 0.67 N ATOM 135 CA GLY A 35 -10.535 2.583 0.457 1.00 0.84 C ATOM 136 C GLY A 35 -10.375 2.460 1.958 1.00 0.85 C ATOM 137 O GLY A 35 -11.077 3.149 2.696 1.00 1.20 O ATOM 0 H GLY A 35 -9.640 1.765 -1.236 1.00 0.67 H new ATOM 0 HA2 GLY A 35 -10.001 3.477 0.134 1.00 0.84 H new ATOM 0 HA3 GLY A 35 -11.591 2.748 0.243 1.00 0.84 H new ATOM 141 N ASP A 36 -9.449 1.637 2.416 1.00 0.69 N ATOM 142 CA ASP A 36 -9.354 1.333 3.833 1.00 0.83 C ATOM 143 C ASP A 36 -8.300 0.267 4.113 1.00 0.83 C ATOM 144 O ASP A 36 -7.374 0.500 4.889 1.00 1.10 O ATOM 145 CB ASP A 36 -10.719 0.849 4.315 1.00 0.89 C ATOM 146 CG ASP A 36 -10.716 0.371 5.755 1.00 1.24 C ATOM 147 OD1 ASP A 36 -10.510 -0.835 5.984 1.00 1.81 O ATOM 148 OD2 ASP A 36 -10.925 1.210 6.664 1.00 1.77 O ATOM 0 H ASP A 36 -8.756 1.169 1.832 1.00 0.69 H new ATOM 0 HA ASP A 36 -9.054 2.235 4.366 1.00 0.83 H new ATOM 0 HB2 ASP A 36 -11.441 1.659 4.211 1.00 0.89 H new ATOM 0 HB3 ASP A 36 -11.056 0.037 3.671 1.00 0.89 H new ATOM 153 N GLY A 37 -8.432 -0.907 3.493 1.00 0.67 N ATOM 154 CA GLY A 37 -7.497 -1.975 3.793 1.00 0.81 C ATOM 155 C GLY A 37 -7.620 -3.218 2.919 1.00 0.78 C ATOM 156 O GLY A 37 -6.612 -3.882 2.673 1.00 1.05 O ATOM 0 H GLY A 37 -9.152 -1.132 2.806 1.00 0.67 H new ATOM 0 HA2 GLY A 37 -6.484 -1.585 3.699 1.00 0.81 H new ATOM 0 HA3 GLY A 37 -7.630 -2.269 4.834 1.00 0.81 H new ATOM 160 N ASN A 38 -8.822 -3.552 2.444 1.00 0.61 N ATOM 161 CA ASN A 38 -9.004 -4.820 1.730 1.00 0.73 C ATOM 162 C ASN A 38 -8.271 -4.809 0.396 1.00 0.57 C ATOM 163 O ASN A 38 -8.575 -4.009 -0.489 1.00 0.49 O ATOM 164 CB ASN A 38 -10.486 -5.141 1.521 1.00 0.95 C ATOM 165 CG ASN A 38 -11.142 -5.754 2.748 1.00 1.13 C ATOM 166 OD1 ASN A 38 -11.231 -6.976 2.875 1.00 1.57 O ATOM 167 ND2 ASN A 38 -11.597 -4.918 3.668 1.00 1.38 N ATOM 0 H ASN A 38 -9.663 -2.982 2.536 1.00 0.61 H new ATOM 0 HA ASN A 38 -8.575 -5.604 2.353 1.00 0.73 H new ATOM 0 HB2 ASN A 38 -11.015 -4.227 1.252 1.00 0.95 H new ATOM 0 HB3 ASN A 38 -10.588 -5.828 0.681 1.00 0.95 H new ATOM 0 HD21 ASN A 38 -12.037 -5.281 4.514 1.00 1.38 H new ATOM 0 HD22 ASN A 38 -11.507 -3.911 3.531 1.00 1.38 H new ATOM 174 N ILE A 39 -7.287 -5.691 0.267 1.00 0.65 N ATOM 175 CA ILE A 39 -6.487 -5.773 -0.945 1.00 0.57 C ATOM 176 C ILE A 39 -7.308 -6.344 -2.091 1.00 0.59 C ATOM 177 O ILE A 39 -7.955 -7.384 -1.951 1.00 0.77 O ATOM 178 CB ILE A 39 -5.397 -6.513 -0.751 1.00 0.62 C ATOM 179 CG1 ILE A 39 -4.470 -5.841 0.248 1.00 0.72 C ATOM 180 CG2 ILE A 39 -4.660 -6.781 -2.065 1.00 0.61 C ATOM 181 CD1 ILE A 39 -3.294 -6.691 0.660 1.00 1.18 C ATOM 0 H ILE A 39 -7.025 -6.361 0.990 1.00 0.65 H new ATOM 0 HA ILE A 39 -6.174 -4.762 -1.206 1.00 0.57 H new ATOM 0 HB ILE A 39 -5.716 -7.473 -0.346 1.00 0.62 H new ATOM 0 HG12 ILE A 39 -4.100 -4.911 -0.184 1.00 0.72 H new ATOM 0 HG13 ILE A 39 -5.042 -5.574 1.137 1.00 0.72 H new ATOM 0 HG21 ILE A 39 -3.776 -7.387 -1.869 1.00 0.61 H new ATOM 0 HG22 ILE A 39 -5.320 -7.313 -2.750 1.00 0.61 H new ATOM 0 HG23 ILE A 39 -4.359 -5.834 -2.513 1.00 0.61 H new ATOM 0 HD11 ILE A 39 -2.680 -6.142 1.374 1.00 1.18 H new ATOM 0 HD12 ILE A 39 -3.654 -7.610 1.123 1.00 1.18 H new ATOM 0 HD13 ILE A 39 -2.697 -6.936 -0.218 1.00 1.18 H new ATOM 193 N LEU A 40 -7.299 -5.640 -3.211 1.00 0.51 N ATOM 194 CA LEU A 40 -8.057 -6.065 -4.376 1.00 0.61 C ATOM 195 C LEU A 40 -7.144 -6.726 -5.405 1.00 0.60 C ATOM 196 O LEU A 40 -7.448 -7.804 -5.914 1.00 0.72 O ATOM 197 CB LEU A 40 -8.781 -4.873 -5.003 1.00 0.66 C ATOM 198 CG LEU A 40 -9.749 -5.217 -6.138 1.00 1.07 C ATOM 199 CD1 LEU A 40 -10.818 -6.186 -5.656 1.00 1.56 C ATOM 200 CD2 LEU A 40 -10.389 -3.952 -6.685 1.00 1.54 C ATOM 0 H LEU A 40 -6.776 -4.773 -3.338 1.00 0.51 H new ATOM 0 HA LEU A 40 -8.797 -6.797 -4.052 1.00 0.61 H new ATOM 0 HB2 LEU A 40 -9.334 -4.353 -4.221 1.00 0.66 H new ATOM 0 HB3 LEU A 40 -8.035 -4.175 -5.383 1.00 0.66 H new ATOM 0 HG LEU A 40 -9.186 -5.698 -6.938 1.00 1.07 H new ATOM 0 HD11 LEU A 40 -11.496 -6.418 -6.477 1.00 1.56 H new ATOM 0 HD12 LEU A 40 -10.346 -7.104 -5.305 1.00 1.56 H new ATOM 0 HD13 LEU A 40 -11.379 -5.732 -4.840 1.00 1.56 H new ATOM 0 HD21 LEU A 40 -11.075 -4.211 -7.492 1.00 1.54 H new ATOM 0 HD22 LEU A 40 -10.938 -3.449 -5.889 1.00 1.54 H new ATOM 0 HD23 LEU A 40 -9.614 -3.288 -7.067 1.00 1.54 H new ATOM 212 N GLN A 41 -6.019 -6.084 -5.699 1.00 0.50 N ATOM 213 CA GLN A 41 -5.090 -6.606 -6.700 1.00 0.55 C ATOM 214 C GLN A 41 -3.654 -6.187 -6.399 1.00 0.46 C ATOM 215 O GLN A 41 -3.405 -5.068 -5.952 1.00 0.46 O ATOM 216 CB GLN A 41 -5.488 -6.125 -8.101 1.00 0.67 C ATOM 217 CG GLN A 41 -4.609 -6.688 -9.209 1.00 1.08 C ATOM 218 CD GLN A 41 -4.891 -6.069 -10.565 1.00 1.73 C ATOM 219 OE1 GLN A 41 -6.014 -5.661 -10.858 1.00 2.41 O ATOM 220 NE2 GLN A 41 -3.869 -5.993 -11.402 1.00 2.37 N ATOM 0 H GLN A 41 -5.728 -5.209 -5.264 1.00 0.50 H new ATOM 0 HA GLN A 41 -5.143 -7.694 -6.664 1.00 0.55 H new ATOM 0 HB2 GLN A 41 -6.524 -6.405 -8.292 1.00 0.67 H new ATOM 0 HB3 GLN A 41 -5.442 -5.036 -8.129 1.00 0.67 H new ATOM 0 HG2 GLN A 41 -3.562 -6.525 -8.952 1.00 1.08 H new ATOM 0 HG3 GLN A 41 -4.758 -7.766 -9.270 1.00 1.08 H new ATOM 0 HE21 GLN A 41 -2.953 -6.343 -11.121 1.00 2.37 H new ATOM 0 HE22 GLN A 41 -3.997 -5.585 -12.328 1.00 2.37 H new ATOM 229 N TYR A 42 -2.717 -7.092 -6.663 1.00 0.57 N ATOM 230 CA TYR A 42 -1.300 -6.851 -6.412 1.00 0.58 C ATOM 231 C TYR A 42 -0.490 -7.210 -7.651 1.00 0.65 C ATOM 232 O TYR A 42 -0.766 -8.212 -8.308 1.00 0.79 O ATOM 233 CB TYR A 42 -0.849 -7.693 -5.217 1.00 0.71 C ATOM 234 CG TYR A 42 0.563 -7.425 -4.743 1.00 0.82 C ATOM 235 CD1 TYR A 42 1.611 -8.261 -5.104 1.00 1.09 C ATOM 236 CD2 TYR A 42 0.838 -6.352 -3.911 1.00 0.82 C ATOM 237 CE1 TYR A 42 2.896 -8.032 -4.647 1.00 1.26 C ATOM 238 CE2 TYR A 42 2.120 -6.111 -3.455 1.00 1.02 C ATOM 239 CZ TYR A 42 3.144 -6.956 -3.823 1.00 1.21 C ATOM 240 OH TYR A 42 4.420 -6.728 -3.358 1.00 1.42 O ATOM 0 H TYR A 42 -2.918 -8.011 -7.056 1.00 0.57 H new ATOM 0 HA TYR A 42 -1.140 -5.797 -6.186 1.00 0.58 H new ATOM 0 HB2 TYR A 42 -1.534 -7.516 -4.388 1.00 0.71 H new ATOM 0 HB3 TYR A 42 -0.934 -8.747 -5.482 1.00 0.71 H new ATOM 0 HD1 TYR A 42 1.420 -9.104 -5.752 1.00 1.09 H new ATOM 0 HD2 TYR A 42 0.036 -5.692 -3.614 1.00 0.82 H new ATOM 0 HE1 TYR A 42 3.700 -8.693 -4.934 1.00 1.26 H new ATOM 0 HE2 TYR A 42 2.318 -5.265 -2.814 1.00 1.02 H new ATOM 0 HH TYR A 42 4.423 -5.929 -2.790 1.00 1.42 H new ATOM 250 N ASN A 43 0.493 -6.387 -7.979 1.00 0.63 N ATOM 251 CA ASN A 43 1.317 -6.627 -9.157 1.00 0.75 C ATOM 252 C ASN A 43 2.650 -7.252 -8.784 1.00 0.92 C ATOM 253 O ASN A 43 3.600 -6.552 -8.439 1.00 1.02 O ATOM 254 CB ASN A 43 1.558 -5.334 -9.940 1.00 0.78 C ATOM 255 CG ASN A 43 0.347 -4.897 -10.741 1.00 0.73 C ATOM 256 OD1 ASN A 43 0.174 -5.294 -11.893 1.00 1.21 O ATOM 257 ND2 ASN A 43 -0.493 -4.070 -10.142 1.00 0.88 N ATOM 0 H ASN A 43 0.740 -5.550 -7.450 1.00 0.63 H new ATOM 0 HA ASN A 43 0.769 -7.325 -9.790 1.00 0.75 H new ATOM 0 HB2 ASN A 43 1.834 -4.540 -9.246 1.00 0.78 H new ATOM 0 HB3 ASN A 43 2.402 -5.475 -10.615 1.00 0.78 H new ATOM 0 HD21 ASN A 43 -1.321 -3.737 -10.636 1.00 0.88 H new ATOM 0 HD22 ASN A 43 -0.313 -3.765 -9.186 1.00 0.88 H new ATOM 756 N GLY A 77 1.079 6.872 3.814 1.00 3.20 N ATOM 757 CA GLY A 77 1.118 8.264 3.415 1.00 2.71 C ATOM 758 C GLY A 77 -0.165 8.990 3.722 1.00 1.94 C ATOM 759 O GLY A 77 -1.047 9.079 2.867 1.00 2.44 O ATOM 0 HA2 GLY A 77 1.943 8.761 3.924 1.00 2.71 H new ATOM 0 HA3 GLY A 77 1.320 8.326 2.346 1.00 2.71 H new ATOM 763 N LYS A 78 -0.270 9.499 4.951 1.00 1.39 N ATOM 764 CA LYS A 78 -1.454 10.236 5.398 1.00 1.29 C ATOM 765 C LYS A 78 -2.691 9.351 5.269 1.00 1.03 C ATOM 766 O LYS A 78 -3.810 9.845 5.209 1.00 1.02 O ATOM 767 CB LYS A 78 -1.650 11.526 4.577 1.00 2.10 C ATOM 768 CG LYS A 78 -0.628 12.635 4.835 1.00 2.61 C ATOM 769 CD LYS A 78 0.787 12.229 4.448 1.00 3.18 C ATOM 770 CE LYS A 78 1.716 13.429 4.331 1.00 3.78 C ATOM 771 NZ LYS A 78 1.637 14.329 5.515 1.00 4.14 N ATOM 0 H LYS A 78 0.458 9.413 5.660 1.00 1.39 H new ATOM 0 HA LYS A 78 -1.308 10.515 6.442 1.00 1.29 H new ATOM 0 HB2 LYS A 78 -1.621 11.269 3.518 1.00 2.10 H new ATOM 0 HB3 LYS A 78 -2.646 11.919 4.783 1.00 2.10 H new ATOM 0 HG2 LYS A 78 -0.913 13.525 4.273 1.00 2.61 H new ATOM 0 HG3 LYS A 78 -0.649 12.905 5.891 1.00 2.61 H new ATOM 0 HD2 LYS A 78 1.181 11.537 5.192 1.00 3.18 H new ATOM 0 HD3 LYS A 78 0.763 11.696 3.498 1.00 3.18 H new ATOM 0 HE2 LYS A 78 2.742 13.080 4.212 1.00 3.78 H new ATOM 0 HE3 LYS A 78 1.465 13.993 3.433 1.00 3.78 H new ATOM 0 HZ1 LYS A 78 2.412 15.022 5.477 1.00 4.14 H new ATOM 0 HZ2 LYS A 78 0.725 14.829 5.511 1.00 4.14 H new ATOM 0 HZ3 LYS A 78 1.719 13.766 6.385 1.00 4.14 H new ATOM 785 N PHE A 79 -2.468 8.037 5.310 1.00 0.95 N ATOM 786 CA PHE A 79 -3.459 7.047 4.891 1.00 0.77 C ATOM 787 C PHE A 79 -4.825 7.271 5.535 1.00 0.70 C ATOM 788 O PHE A 79 -5.860 7.096 4.868 1.00 0.64 O ATOM 789 CB PHE A 79 -2.954 5.637 5.211 1.00 0.88 C ATOM 790 CG PHE A 79 -3.737 4.545 4.531 1.00 0.79 C ATOM 791 CD1 PHE A 79 -4.796 3.926 5.175 1.00 0.86 C ATOM 792 CD2 PHE A 79 -3.412 4.145 3.245 1.00 0.78 C ATOM 793 CE1 PHE A 79 -5.518 2.929 4.546 1.00 0.85 C ATOM 794 CE2 PHE A 79 -4.129 3.148 2.610 1.00 0.84 C ATOM 795 CZ PHE A 79 -5.185 2.539 3.261 1.00 0.82 C ATOM 0 H PHE A 79 -1.592 7.629 5.636 1.00 0.95 H new ATOM 0 HA PHE A 79 -3.591 7.161 3.815 1.00 0.77 H new ATOM 0 HB2 PHE A 79 -1.908 5.560 4.916 1.00 0.88 H new ATOM 0 HB3 PHE A 79 -2.993 5.483 6.289 1.00 0.88 H new ATOM 0 HD1 PHE A 79 -5.060 4.225 6.179 1.00 0.86 H new ATOM 0 HD2 PHE A 79 -2.588 4.618 2.732 1.00 0.78 H new ATOM 0 HE1 PHE A 79 -6.342 2.454 5.058 1.00 0.85 H new ATOM 0 HE2 PHE A 79 -3.864 2.846 1.607 1.00 0.84 H new ATOM 0 HZ PHE A 79 -5.749 1.761 2.768 1.00 0.82 H new ATOM 805 N LYS A 80 -4.821 7.697 6.808 1.00 0.82 N ATOM 806 CA LYS A 80 -6.062 7.849 7.559 1.00 0.89 C ATOM 807 C LYS A 80 -6.907 8.966 6.964 1.00 0.81 C ATOM 808 O LYS A 80 -8.100 8.798 6.709 1.00 0.87 O ATOM 809 CB LYS A 80 -5.773 8.140 9.033 1.00 1.12 C ATOM 810 CG LYS A 80 -7.032 8.327 9.864 1.00 1.66 C ATOM 811 CD LYS A 80 -6.714 8.616 11.319 1.00 2.17 C ATOM 812 CE LYS A 80 -7.986 8.858 12.118 1.00 2.87 C ATOM 813 NZ LYS A 80 -7.699 9.188 13.536 1.00 3.48 N ATOM 0 H LYS A 80 -3.978 7.938 7.328 1.00 0.82 H new ATOM 0 HA LYS A 80 -6.615 6.912 7.493 1.00 0.89 H new ATOM 0 HB2 LYS A 80 -5.188 7.321 9.451 1.00 1.12 H new ATOM 0 HB3 LYS A 80 -5.160 9.039 9.106 1.00 1.12 H new ATOM 0 HG2 LYS A 80 -7.620 9.147 9.452 1.00 1.66 H new ATOM 0 HG3 LYS A 80 -7.647 7.429 9.798 1.00 1.66 H new ATOM 0 HD2 LYS A 80 -6.165 7.778 11.748 1.00 2.17 H new ATOM 0 HD3 LYS A 80 -6.066 9.490 11.387 1.00 2.17 H new ATOM 0 HE2 LYS A 80 -8.550 9.673 11.663 1.00 2.87 H new ATOM 0 HE3 LYS A 80 -8.616 7.970 12.073 1.00 2.87 H new ATOM 0 HZ1 LYS A 80 -8.593 9.345 14.044 1.00 3.48 H new ATOM 0 HZ2 LYS A 80 -7.183 8.400 13.978 1.00 3.48 H new ATOM 0 HZ3 LYS A 80 -7.119 10.050 13.581 1.00 3.48 H new ATOM 827 N GLU A 81 -6.271 10.096 6.708 1.00 0.78 N ATOM 828 CA GLU A 81 -6.966 11.244 6.166 1.00 0.78 C ATOM 829 C GLU A 81 -7.094 11.090 4.660 1.00 0.62 C ATOM 830 O GLU A 81 -8.009 11.624 4.047 1.00 0.64 O ATOM 831 CB GLU A 81 -6.226 12.533 6.531 1.00 0.96 C ATOM 832 CG GLU A 81 -6.995 13.795 6.192 1.00 1.53 C ATOM 833 CD GLU A 81 -6.429 15.015 6.886 1.00 2.31 C ATOM 834 OE1 GLU A 81 -5.583 15.705 6.278 1.00 3.07 O ATOM 835 OE2 GLU A 81 -6.824 15.293 8.036 1.00 2.63 O ATOM 0 H GLU A 81 -5.274 10.240 6.868 1.00 0.78 H new ATOM 0 HA GLU A 81 -7.966 11.304 6.596 1.00 0.78 H new ATOM 0 HB2 GLU A 81 -6.009 12.527 7.599 1.00 0.96 H new ATOM 0 HB3 GLU A 81 -5.268 12.551 6.011 1.00 0.96 H new ATOM 0 HG2 GLU A 81 -6.975 13.951 5.113 1.00 1.53 H new ATOM 0 HG3 GLU A 81 -8.040 13.669 6.477 1.00 1.53 H new ATOM 842 N GLY A 82 -6.185 10.318 4.083 1.00 0.55 N ATOM 843 CA GLY A 82 -6.216 10.023 2.680 1.00 0.47 C ATOM 844 C GLY A 82 -7.519 9.377 2.285 1.00 0.46 C ATOM 845 O GLY A 82 -8.126 9.717 1.265 1.00 0.49 O ATOM 0 H GLY A 82 -5.410 9.884 4.584 1.00 0.55 H new ATOM 0 HA2 GLY A 82 -6.075 10.941 2.110 1.00 0.47 H new ATOM 0 HA3 GLY A 82 -5.388 9.361 2.427 1.00 0.47 H new ATOM 849 N VAL A 83 -7.946 8.451 3.124 1.00 0.51 N ATOM 850 CA VAL A 83 -9.188 7.725 2.914 1.00 0.61 C ATOM 851 C VAL A 83 -10.390 8.647 3.057 1.00 0.70 C ATOM 852 O VAL A 83 -11.205 8.763 2.140 1.00 0.79 O ATOM 853 CB VAL A 83 -9.307 6.727 3.781 1.00 0.70 C ATOM 854 CG1 VAL A 83 -10.668 6.046 3.651 1.00 0.85 C ATOM 855 CG2 VAL A 83 -8.192 5.709 3.599 1.00 0.69 C ATOM 0 H VAL A 83 -7.443 8.180 3.969 1.00 0.51 H new ATOM 0 HA VAL A 83 -9.159 7.323 1.901 1.00 0.61 H new ATOM 0 HB VAL A 83 -9.227 7.151 4.782 1.00 0.70 H new ATOM 0 HG11 VAL A 83 -10.738 5.232 4.373 1.00 0.85 H new ATOM 0 HG12 VAL A 83 -11.458 6.772 3.844 1.00 0.85 H new ATOM 0 HG13 VAL A 83 -10.780 5.647 2.643 1.00 0.85 H new ATOM 0 HG21 VAL A 83 -8.314 4.903 4.322 1.00 0.69 H new ATOM 0 HG22 VAL A 83 -8.234 5.301 2.589 1.00 0.69 H new ATOM 0 HG23 VAL A 83 -7.228 6.193 3.755 1.00 0.69 H new ATOM 865 N ALA A 84 -10.464 9.339 4.183 1.00 0.76 N ATOM 866 CA ALA A 84 -11.664 10.070 4.546 1.00 0.94 C ATOM 867 C ALA A 84 -11.777 11.366 3.772 1.00 0.88 C ATOM 868 O ALA A 84 -12.878 11.860 3.522 1.00 1.07 O ATOM 869 CB ALA A 84 -11.692 10.329 6.042 1.00 1.12 C ATOM 0 H ALA A 84 -9.705 9.409 4.861 1.00 0.76 H new ATOM 0 HA ALA A 84 -12.525 9.456 4.283 1.00 0.94 H new ATOM 0 HB1 ALA A 84 -12.598 10.878 6.299 1.00 1.12 H new ATOM 0 HB2 ALA A 84 -11.680 9.379 6.576 1.00 1.12 H new ATOM 0 HB3 ALA A 84 -10.819 10.916 6.326 1.00 1.12 H new ATOM 875 N SER A 85 -10.641 11.910 3.386 1.00 0.76 N ATOM 876 CA SER A 85 -10.631 13.093 2.542 1.00 0.84 C ATOM 877 C SER A 85 -11.191 12.722 1.171 1.00 0.94 C ATOM 878 O SER A 85 -11.797 13.544 0.486 1.00 1.22 O ATOM 879 CB SER A 85 -9.214 13.666 2.419 1.00 1.19 C ATOM 880 OG SER A 85 -9.218 14.953 1.828 1.00 1.88 O ATOM 0 H SER A 85 -9.718 11.557 3.639 1.00 0.76 H new ATOM 0 HA SER A 85 -11.254 13.866 2.992 1.00 0.84 H new ATOM 0 HB2 SER A 85 -8.757 13.721 3.407 1.00 1.19 H new ATOM 0 HB3 SER A 85 -8.600 12.993 1.821 1.00 1.19 H new ATOM 0 HG SER A 85 -10.142 15.233 1.660 1.00 1.88 H new ATOM 886 N GLY A 86 -11.000 11.461 0.793 1.00 0.96 N ATOM 887 CA GLY A 86 -11.542 10.966 -0.454 1.00 1.46 C ATOM 888 C GLY A 86 -10.656 11.310 -1.626 1.00 1.21 C ATOM 889 O GLY A 86 -11.131 11.468 -2.750 1.00 1.66 O ATOM 0 H GLY A 86 -10.476 10.772 1.333 1.00 0.96 H new ATOM 0 HA2 GLY A 86 -11.662 9.884 -0.394 1.00 1.46 H new ATOM 0 HA3 GLY A 86 -12.534 11.388 -0.612 1.00 1.46 H new ATOM 893 N ASN A 87 -9.364 11.439 -1.362 1.00 0.66 N ATOM 894 CA ASN A 87 -8.408 11.809 -2.405 1.00 0.67 C ATOM 895 C ASN A 87 -6.979 11.485 -2.002 1.00 0.52 C ATOM 896 O ASN A 87 -6.089 12.332 -2.063 1.00 0.72 O ATOM 897 CB ASN A 87 -8.537 13.298 -2.776 1.00 0.95 C ATOM 898 CG ASN A 87 -8.436 14.230 -1.579 1.00 1.40 C ATOM 899 OD1 ASN A 87 -7.351 14.661 -1.192 1.00 2.08 O ATOM 900 ND2 ASN A 87 -9.573 14.572 -1.001 1.00 1.72 N ATOM 0 H ASN A 87 -8.951 11.295 -0.440 1.00 0.66 H new ATOM 0 HA ASN A 87 -8.650 11.212 -3.284 1.00 0.67 H new ATOM 0 HB2 ASN A 87 -7.758 13.555 -3.494 1.00 0.95 H new ATOM 0 HB3 ASN A 87 -9.494 13.459 -3.273 1.00 0.95 H new ATOM 0 HD21 ASN A 87 -9.569 15.213 -0.207 1.00 1.72 H new ATOM 0 HD22 ASN A 87 -10.455 14.195 -1.348 1.00 1.72 H new ATOM 907 N LEU A 88 -6.759 10.247 -1.605 1.00 0.40 N ATOM 908 CA LEU A 88 -5.432 9.784 -1.251 1.00 0.32 C ATOM 909 C LEU A 88 -4.576 9.611 -2.493 1.00 0.30 C ATOM 910 O LEU A 88 -4.529 8.531 -3.067 1.00 0.34 O ATOM 911 CB LEU A 88 -5.517 8.457 -0.516 1.00 0.37 C ATOM 912 CG LEU A 88 -4.527 8.317 0.612 1.00 0.42 C ATOM 913 CD1 LEU A 88 -4.800 7.056 1.421 1.00 0.56 C ATOM 914 CD2 LEU A 88 -3.100 8.330 0.101 1.00 0.48 C ATOM 0 H LEU A 88 -7.488 9.539 -1.519 1.00 0.40 H new ATOM 0 HA LEU A 88 -4.975 10.532 -0.603 1.00 0.32 H new ATOM 0 HB2 LEU A 88 -6.525 8.337 -0.118 1.00 0.37 H new ATOM 0 HB3 LEU A 88 -5.357 7.648 -1.229 1.00 0.37 H new ATOM 0 HG LEU A 88 -4.652 9.178 1.269 1.00 0.42 H new ATOM 0 HD11 LEU A 88 -4.073 6.977 2.229 1.00 0.56 H new ATOM 0 HD12 LEU A 88 -5.805 7.103 1.841 1.00 0.56 H new ATOM 0 HD13 LEU A 88 -4.718 6.183 0.773 1.00 0.56 H new ATOM 0 HD21 LEU A 88 -2.412 8.227 0.940 1.00 0.48 H new ATOM 0 HD22 LEU A 88 -2.954 7.501 -0.592 1.00 0.48 H new ATOM 0 HD23 LEU A 88 -2.906 9.271 -0.414 1.00 0.48 H new ATOM 926 N ASN A 89 -3.938 10.679 -2.923 1.00 0.32 N ATOM 927 CA ASN A 89 -3.039 10.615 -4.058 1.00 0.34 C ATOM 928 C ASN A 89 -1.850 11.544 -3.849 1.00 0.40 C ATOM 929 O ASN A 89 -1.975 12.765 -3.983 1.00 0.50 O ATOM 930 CB ASN A 89 -3.786 10.943 -5.362 1.00 0.41 C ATOM 931 CG ASN A 89 -2.847 11.142 -6.545 1.00 1.12 C ATOM 932 OD1 ASN A 89 -2.418 10.183 -7.190 1.00 2.01 O ATOM 933 ND2 ASN A 89 -2.530 12.392 -6.851 1.00 1.62 N ATOM 0 H ASN A 89 -4.025 11.605 -2.503 1.00 0.32 H new ATOM 0 HA ASN A 89 -2.657 9.598 -4.143 1.00 0.34 H new ATOM 0 HB2 ASN A 89 -4.483 10.136 -5.589 1.00 0.41 H new ATOM 0 HB3 ASN A 89 -4.379 11.846 -5.219 1.00 0.41 H new ATOM 0 HD21 ASN A 89 -1.914 12.583 -7.641 1.00 1.62 H new ATOM 0 HD22 ASN A 89 -2.902 13.163 -6.297 1.00 1.62 H new ATOM 940 N THR A 90 -0.708 10.968 -3.481 1.00 0.39 N ATOM 941 CA THR A 90 0.505 11.743 -3.307 1.00 0.50 C ATOM 942 C THR A 90 1.727 10.872 -3.566 1.00 0.55 C ATOM 943 O THR A 90 1.626 9.641 -3.624 1.00 0.69 O ATOM 944 CB THR A 90 0.556 12.287 -2.091 1.00 0.68 C ATOM 945 OG1 THR A 90 1.625 13.243 -2.008 1.00 1.67 O ATOM 946 CG2 THR A 90 0.717 11.237 -0.997 1.00 1.22 C ATOM 0 H THR A 90 -0.603 9.970 -3.299 1.00 0.39 H new ATOM 0 HA THR A 90 0.500 12.557 -4.032 1.00 0.50 H new ATOM 0 HB THR A 90 -0.396 12.793 -1.930 1.00 0.68 H new ATOM 0 HG1 THR A 90 1.646 13.633 -1.109 1.00 1.67 H new ATOM 0 HG21 THR A 90 0.754 11.728 -0.024 1.00 1.22 H new ATOM 0 HG22 THR A 90 -0.129 10.550 -1.025 1.00 1.22 H new ATOM 0 HG23 THR A 90 1.641 10.682 -1.158 1.00 1.22 H new ATOM 954 N MET A 91 2.852 11.516 -3.811 1.00 0.72 N ATOM 955 CA MET A 91 4.115 10.815 -3.964 1.00 1.00 C ATOM 956 C MET A 91 5.151 11.413 -3.030 1.00 0.88 C ATOM 957 O MET A 91 5.126 12.611 -2.744 1.00 0.92 O ATOM 958 CB MET A 91 4.601 10.847 -5.422 1.00 1.53 C ATOM 959 CG MET A 91 5.014 12.223 -5.933 1.00 2.33 C ATOM 960 SD MET A 91 6.738 12.623 -5.555 1.00 3.24 S ATOM 961 CE MET A 91 6.857 14.279 -6.225 1.00 3.94 C ATOM 0 H MET A 91 2.918 12.529 -3.909 1.00 0.72 H new ATOM 0 HA MET A 91 3.964 9.769 -3.698 1.00 1.00 H new ATOM 0 HB2 MET A 91 5.449 10.169 -5.522 1.00 1.53 H new ATOM 0 HB3 MET A 91 3.808 10.461 -6.062 1.00 1.53 H new ATOM 0 HG2 MET A 91 4.864 12.265 -7.012 1.00 2.33 H new ATOM 0 HG3 MET A 91 4.365 12.979 -5.491 1.00 2.33 H new ATOM 0 HE1 MET A 91 7.865 14.663 -6.068 1.00 3.94 H new ATOM 0 HE2 MET A 91 6.639 14.256 -7.293 1.00 3.94 H new ATOM 0 HE3 MET A 91 6.139 14.927 -5.722 1.00 3.94 H new ATOM 971 N PHE A 92 6.042 10.573 -2.539 1.00 0.98 N ATOM 972 CA PHE A 92 7.072 11.009 -1.614 1.00 1.01 C ATOM 973 C PHE A 92 8.164 9.955 -1.525 1.00 0.90 C ATOM 974 O PHE A 92 7.887 8.758 -1.567 1.00 0.85 O ATOM 975 CB PHE A 92 6.466 11.268 -0.228 1.00 1.24 C ATOM 976 CG PHE A 92 7.448 11.795 0.782 1.00 1.49 C ATOM 977 CD1 PHE A 92 7.978 13.070 0.658 1.00 1.94 C ATOM 978 CD2 PHE A 92 7.835 11.017 1.862 1.00 1.58 C ATOM 979 CE1 PHE A 92 8.876 13.558 1.590 1.00 2.47 C ATOM 980 CE2 PHE A 92 8.733 11.498 2.795 1.00 2.01 C ATOM 981 CZ PHE A 92 9.254 12.770 2.659 1.00 2.46 C ATOM 0 H PHE A 92 6.073 9.579 -2.767 1.00 0.98 H new ATOM 0 HA PHE A 92 7.507 11.939 -1.980 1.00 1.01 H new ATOM 0 HB2 PHE A 92 5.647 11.980 -0.329 1.00 1.24 H new ATOM 0 HB3 PHE A 92 6.037 10.340 0.148 1.00 1.24 H new ATOM 0 HD1 PHE A 92 7.686 13.690 -0.177 1.00 1.94 H new ATOM 0 HD2 PHE A 92 7.429 10.022 1.975 1.00 1.58 H new ATOM 0 HE1 PHE A 92 9.281 14.553 1.482 1.00 2.47 H new ATOM 0 HE2 PHE A 92 9.028 10.880 3.630 1.00 2.01 H new ATOM 0 HZ PHE A 92 9.956 13.148 3.388 1.00 2.46 H new ATOM 991 N GLU A 93 9.402 10.393 -1.430 1.00 0.98 N ATOM 992 CA GLU A 93 10.506 9.472 -1.258 1.00 0.97 C ATOM 993 C GLU A 93 10.958 9.492 0.195 1.00 1.21 C ATOM 994 O GLU A 93 11.480 10.507 0.677 1.00 1.50 O ATOM 995 CB GLU A 93 11.664 9.841 -2.180 1.00 1.18 C ATOM 996 CG GLU A 93 11.287 9.870 -3.651 1.00 1.33 C ATOM 997 CD GLU A 93 12.445 10.273 -4.533 1.00 1.57 C ATOM 998 OE1 GLU A 93 13.055 9.384 -5.158 1.00 1.97 O ATOM 999 OE2 GLU A 93 12.751 11.480 -4.608 1.00 1.92 O ATOM 0 H GLU A 93 9.669 11.377 -1.469 1.00 0.98 H new ATOM 0 HA GLU A 93 10.175 8.467 -1.519 1.00 0.97 H new ATOM 0 HB2 GLU A 93 12.048 10.820 -1.893 1.00 1.18 H new ATOM 0 HB3 GLU A 93 12.474 9.126 -2.036 1.00 1.18 H new ATOM 0 HG2 GLU A 93 10.930 8.885 -3.952 1.00 1.33 H new ATOM 0 HG3 GLU A 93 10.462 10.567 -3.798 1.00 1.33 H new ATOM 1006 N TYR A 94 10.755 8.380 0.886 1.00 1.23 N ATOM 1007 CA TYR A 94 11.001 8.317 2.318 1.00 1.60 C ATOM 1008 C TYR A 94 12.064 7.271 2.636 1.00 1.67 C ATOM 1009 O TYR A 94 12.067 6.180 2.064 1.00 1.62 O ATOM 1010 CB TYR A 94 9.690 7.991 3.049 1.00 1.88 C ATOM 1011 CG TYR A 94 9.805 7.954 4.558 1.00 2.23 C ATOM 1012 CD1 TYR A 94 9.674 6.761 5.257 1.00 2.63 C ATOM 1013 CD2 TYR A 94 10.055 9.113 5.283 1.00 2.62 C ATOM 1014 CE1 TYR A 94 9.784 6.724 6.634 1.00 3.18 C ATOM 1015 CE2 TYR A 94 10.167 9.085 6.659 1.00 3.33 C ATOM 1016 CZ TYR A 94 10.003 7.882 7.333 1.00 3.51 C ATOM 1017 OH TYR A 94 10.140 7.853 8.705 1.00 4.29 O ATOM 0 H TYR A 94 10.420 7.508 0.477 1.00 1.23 H new ATOM 0 HA TYR A 94 11.370 9.285 2.658 1.00 1.60 H new ATOM 0 HB2 TYR A 94 8.941 8.733 2.772 1.00 1.88 H new ATOM 0 HB3 TYR A 94 9.326 7.024 2.701 1.00 1.88 H new ATOM 0 HD1 TYR A 94 9.483 5.847 4.715 1.00 2.63 H new ATOM 0 HD2 TYR A 94 10.164 10.052 4.761 1.00 2.62 H new ATOM 0 HE1 TYR A 94 9.697 5.784 7.158 1.00 3.18 H new ATOM 0 HE2 TYR A 94 10.380 9.991 7.206 1.00 3.33 H new ATOM 0 HH TYR A 94 10.291 8.762 9.038 1.00 4.29 H new ATOM 1170 N LYS A 104 15.708 3.581 0.585 1.00 1.52 N ATOM 1171 CA LYS A 104 14.773 4.660 0.370 1.00 1.37 C ATOM 1172 C LYS A 104 13.638 4.171 -0.505 1.00 1.18 C ATOM 1173 O LYS A 104 13.874 3.543 -1.541 1.00 1.26 O ATOM 1174 CB LYS A 104 15.459 5.838 -0.314 1.00 1.53 C ATOM 1175 CG LYS A 104 14.577 7.071 -0.419 1.00 1.64 C ATOM 1176 CD LYS A 104 14.835 7.825 -1.709 1.00 2.24 C ATOM 1177 CE LYS A 104 14.495 6.971 -2.920 1.00 2.60 C ATOM 1178 NZ LYS A 104 14.806 7.666 -4.193 1.00 3.12 N ATOM 0 HA LYS A 104 14.390 4.988 1.336 1.00 1.37 H new ATOM 0 HB2 LYS A 104 16.363 6.093 0.238 1.00 1.53 H new ATOM 0 HB3 LYS A 104 15.771 5.537 -1.314 1.00 1.53 H new ATOM 0 HG2 LYS A 104 13.529 6.776 -0.371 1.00 1.64 H new ATOM 0 HG3 LYS A 104 14.763 7.727 0.431 1.00 1.64 H new ATOM 0 HD2 LYS A 104 14.240 8.738 -1.725 1.00 2.24 H new ATOM 0 HD3 LYS A 104 15.882 8.126 -1.755 1.00 2.24 H new ATOM 0 HE2 LYS A 104 15.052 6.035 -2.872 1.00 2.60 H new ATOM 0 HE3 LYS A 104 13.436 6.713 -2.897 1.00 2.60 H new ATOM 0 HZ1 LYS A 104 15.136 6.973 -4.895 1.00 3.12 H new ATOM 0 HZ2 LYS A 104 13.951 8.139 -4.548 1.00 3.12 H new ATOM 0 HZ3 LYS A 104 15.550 8.374 -4.029 1.00 3.12 H new ATOM 1192 N VAL A 105 12.413 4.438 -0.095 1.00 1.04 N ATOM 1193 CA VAL A 105 11.285 4.114 -0.922 1.00 0.90 C ATOM 1194 C VAL A 105 10.758 5.355 -1.607 1.00 0.72 C ATOM 1195 O VAL A 105 11.063 6.480 -1.213 1.00 0.75 O ATOM 1196 CB VAL A 105 10.299 3.528 -0.260 1.00 1.00 C ATOM 1197 CG1 VAL A 105 10.769 2.214 0.347 1.00 1.23 C ATOM 1198 CG2 VAL A 105 9.711 4.438 0.809 1.00 1.11 C ATOM 0 H VAL A 105 12.183 4.874 0.798 1.00 1.04 H new ATOM 0 HA VAL A 105 11.649 3.399 -1.660 1.00 0.90 H new ATOM 0 HB VAL A 105 9.505 3.317 -0.976 1.00 1.00 H new ATOM 0 HG11 VAL A 105 9.945 1.747 0.887 1.00 1.23 H new ATOM 0 HG12 VAL A 105 11.107 1.547 -0.446 1.00 1.23 H new ATOM 0 HG13 VAL A 105 11.592 2.405 1.036 1.00 1.23 H new ATOM 0 HG21 VAL A 105 8.906 3.917 1.327 1.00 1.11 H new ATOM 0 HG22 VAL A 105 10.488 4.708 1.524 1.00 1.11 H new ATOM 0 HG23 VAL A 105 9.318 5.341 0.342 1.00 1.11 H new ATOM 1208 N LYS A 106 10.026 5.134 -2.665 1.00 0.64 N ATOM 1209 CA LYS A 106 9.320 6.192 -3.342 1.00 0.59 C ATOM 1210 C LYS A 106 7.885 5.764 -3.517 1.00 0.53 C ATOM 1211 O LYS A 106 7.596 4.832 -4.270 1.00 0.68 O ATOM 1212 CB LYS A 106 9.961 6.525 -4.692 1.00 0.79 C ATOM 1213 CG LYS A 106 9.188 7.575 -5.477 1.00 1.39 C ATOM 1214 CD LYS A 106 9.981 8.103 -6.662 1.00 1.61 C ATOM 1215 CE LYS A 106 10.317 7.010 -7.663 1.00 2.08 C ATOM 1216 NZ LYS A 106 11.045 7.550 -8.840 1.00 2.36 N ATOM 0 H LYS A 106 9.901 4.213 -3.085 1.00 0.64 H new ATOM 0 HA LYS A 106 9.369 7.101 -2.743 1.00 0.59 H new ATOM 0 HB2 LYS A 106 10.978 6.879 -4.527 1.00 0.79 H new ATOM 0 HB3 LYS A 106 10.033 5.615 -5.288 1.00 0.79 H new ATOM 0 HG2 LYS A 106 8.251 7.145 -5.831 1.00 1.39 H new ATOM 0 HG3 LYS A 106 8.929 8.403 -4.817 1.00 1.39 H new ATOM 0 HD2 LYS A 106 9.408 8.885 -7.160 1.00 1.61 H new ATOM 0 HD3 LYS A 106 10.903 8.561 -6.304 1.00 1.61 H new ATOM 0 HE2 LYS A 106 10.925 6.246 -7.178 1.00 2.08 H new ATOM 0 HE3 LYS A 106 9.399 6.524 -7.994 1.00 2.08 H new ATOM 0 HZ1 LYS A 106 11.258 6.776 -9.502 1.00 2.36 H new ATOM 0 HZ2 LYS A 106 10.455 8.261 -9.317 1.00 2.36 H new ATOM 0 HZ3 LYS A 106 11.933 7.991 -8.526 1.00 2.36 H new ATOM 1230 N VAL A 107 6.996 6.416 -2.798 1.00 0.47 N ATOM 1231 CA VAL A 107 5.605 6.019 -2.812 1.00 0.49 C ATOM 1232 C VAL A 107 4.783 6.871 -3.737 1.00 0.45 C ATOM 1233 O VAL A 107 5.074 8.046 -3.957 1.00 0.74 O ATOM 1234 CB VAL A 107 5.023 6.026 -1.619 1.00 0.60 C ATOM 1235 CG1 VAL A 107 5.407 4.777 -0.837 1.00 0.99 C ATOM 1236 CG2 VAL A 107 5.358 7.277 -0.816 1.00 1.11 C ATOM 0 H VAL A 107 7.209 7.216 -2.202 1.00 0.47 H new ATOM 0 HA VAL A 107 5.634 4.989 -3.168 1.00 0.49 H new ATOM 0 HB VAL A 107 3.946 6.031 -1.787 1.00 0.60 H new ATOM 0 HG11 VAL A 107 4.923 4.796 0.139 1.00 0.99 H new ATOM 0 HG12 VAL A 107 5.085 3.891 -1.385 1.00 0.99 H new ATOM 0 HG13 VAL A 107 6.489 4.749 -0.705 1.00 0.99 H new ATOM 0 HG21 VAL A 107 4.857 7.233 0.151 1.00 1.11 H new ATOM 0 HG22 VAL A 107 6.436 7.334 -0.664 1.00 1.11 H new ATOM 0 HG23 VAL A 107 5.021 8.159 -1.360 1.00 1.11 H new ATOM 1246 N HIS A 108 3.822 6.231 -4.356 1.00 0.30 N ATOM 1247 CA HIS A 108 2.722 6.925 -4.957 1.00 0.31 C ATOM 1248 C HIS A 108 1.461 6.163 -4.621 1.00 0.28 C ATOM 1249 O HIS A 108 1.158 5.127 -5.209 1.00 0.31 O ATOM 1250 CB HIS A 108 2.892 7.052 -6.477 1.00 0.43 C ATOM 1251 CG HIS A 108 1.864 7.934 -7.131 1.00 0.56 C ATOM 1252 ND1 HIS A 108 1.918 8.289 -8.460 1.00 0.94 N ATOM 1253 CD2 HIS A 108 0.756 8.540 -6.631 1.00 0.71 C ATOM 1254 CE1 HIS A 108 0.892 9.066 -8.751 1.00 1.01 C ATOM 1255 NE2 HIS A 108 0.169 9.234 -7.659 1.00 0.80 N ATOM 0 H HIS A 108 3.785 5.216 -4.455 1.00 0.30 H new ATOM 0 HA HIS A 108 2.673 7.941 -4.566 1.00 0.31 H new ATOM 0 HB2 HIS A 108 3.885 7.447 -6.690 1.00 0.43 H new ATOM 0 HB3 HIS A 108 2.842 6.059 -6.923 1.00 0.43 H new ATOM 0 HD2 HIS A 108 0.402 8.486 -5.612 1.00 0.71 H new ATOM 0 HE1 HIS A 108 0.679 9.493 -9.720 1.00 1.01 H new ATOM 0 HE2 HIS A 108 -0.685 9.788 -7.591 1.00 0.80 H new ATOM 1264 N MET A 109 0.742 6.684 -3.664 1.00 0.31 N ATOM 1265 CA MET A 109 -0.550 6.158 -3.307 1.00 0.33 C ATOM 1266 C MET A 109 -1.585 6.994 -4.009 1.00 0.37 C ATOM 1267 O MET A 109 -1.477 8.218 -4.022 1.00 0.55 O ATOM 1268 CB MET A 109 -0.754 6.180 -1.788 1.00 0.43 C ATOM 1269 CG MET A 109 -0.249 7.444 -1.104 1.00 0.77 C ATOM 1270 SD MET A 109 1.545 7.480 -0.903 1.00 1.28 S ATOM 1271 CE MET A 109 1.789 6.050 0.147 1.00 2.22 C ATOM 0 H MET A 109 1.035 7.487 -3.108 1.00 0.31 H new ATOM 0 HA MET A 109 -0.635 5.116 -3.615 1.00 0.33 H new ATOM 0 HB2 MET A 109 -1.817 6.066 -1.575 1.00 0.43 H new ATOM 0 HB3 MET A 109 -0.247 5.319 -1.353 1.00 0.43 H new ATOM 0 HG2 MET A 109 -0.560 8.312 -1.685 1.00 0.77 H new ATOM 0 HG3 MET A 109 -0.719 7.531 -0.124 1.00 0.77 H new ATOM 0 HE1 MET A 109 2.683 6.193 0.754 1.00 2.22 H new ATOM 0 HE2 MET A 109 0.924 5.925 0.799 1.00 2.22 H new ATOM 0 HE3 MET A 109 1.908 5.161 -0.472 1.00 2.22 H new ATOM 1281 N LYS A 110 -2.554 6.355 -4.631 1.00 0.27 N ATOM 1282 CA LYS A 110 -3.483 7.079 -5.467 1.00 0.30 C ATOM 1283 C LYS A 110 -4.879 6.530 -5.335 1.00 0.24 C ATOM 1284 O LYS A 110 -5.085 5.321 -5.347 1.00 0.24 O ATOM 1285 CB LYS A 110 -3.048 7.024 -6.934 1.00 0.43 C ATOM 1286 CG LYS A 110 -2.713 5.625 -7.417 1.00 0.64 C ATOM 1287 CD LYS A 110 -2.735 5.523 -8.933 1.00 0.78 C ATOM 1288 CE LYS A 110 -1.874 6.587 -9.593 1.00 1.38 C ATOM 1289 NZ LYS A 110 -1.803 6.404 -11.066 1.00 1.73 N ATOM 0 H LYS A 110 -2.716 5.350 -4.574 1.00 0.27 H new ATOM 0 HA LYS A 110 -3.483 8.116 -5.132 1.00 0.30 H new ATOM 0 HB2 LYS A 110 -3.844 7.433 -7.556 1.00 0.43 H new ATOM 0 HB3 LYS A 110 -2.177 7.665 -7.070 1.00 0.43 H new ATOM 0 HG2 LYS A 110 -1.727 5.341 -7.049 1.00 0.64 H new ATOM 0 HG3 LYS A 110 -3.426 4.916 -6.996 1.00 0.64 H new ATOM 0 HD2 LYS A 110 -2.384 4.536 -9.234 1.00 0.78 H new ATOM 0 HD3 LYS A 110 -3.762 5.618 -9.287 1.00 0.78 H new ATOM 0 HE2 LYS A 110 -2.280 7.574 -9.368 1.00 1.38 H new ATOM 0 HE3 LYS A 110 -0.869 6.553 -9.174 1.00 1.38 H new ATOM 0 HZ1 LYS A 110 -1.207 7.149 -11.480 1.00 1.73 H new ATOM 0 HZ2 LYS A 110 -1.393 5.473 -11.281 1.00 1.73 H new ATOM 0 HZ3 LYS A 110 -2.760 6.462 -11.470 1.00 1.73 H new ATOM 1303 N LYS A 111 -5.829 7.427 -5.200 1.00 0.23 N ATOM 1304 CA LYS A 111 -7.208 7.072 -5.274 1.00 0.22 C ATOM 1305 C LYS A 111 -7.510 6.374 -6.594 1.00 0.22 C ATOM 1306 O LYS A 111 -7.379 6.954 -7.675 1.00 0.29 O ATOM 1307 CB LYS A 111 -8.001 8.346 -5.129 1.00 0.28 C ATOM 1308 CG LYS A 111 -9.486 8.190 -5.397 1.00 0.35 C ATOM 1309 CD LYS A 111 -10.186 9.533 -5.371 1.00 0.53 C ATOM 1310 CE LYS A 111 -11.554 9.458 -6.030 1.00 0.91 C ATOM 1311 NZ LYS A 111 -11.451 9.217 -7.495 1.00 1.78 N ATOM 0 H LYS A 111 -5.657 8.419 -5.036 1.00 0.23 H new ATOM 0 HA LYS A 111 -7.476 6.372 -4.483 1.00 0.22 H new ATOM 0 HB2 LYS A 111 -7.864 8.732 -4.119 1.00 0.28 H new ATOM 0 HB3 LYS A 111 -7.596 9.092 -5.813 1.00 0.28 H new ATOM 0 HG2 LYS A 111 -9.636 7.716 -6.367 1.00 0.35 H new ATOM 0 HG3 LYS A 111 -9.927 7.531 -4.649 1.00 0.35 H new ATOM 0 HD2 LYS A 111 -10.295 9.868 -4.340 1.00 0.53 H new ATOM 0 HD3 LYS A 111 -9.573 10.274 -5.884 1.00 0.53 H new ATOM 0 HE2 LYS A 111 -12.135 8.659 -5.570 1.00 0.91 H new ATOM 0 HE3 LYS A 111 -12.094 10.388 -5.852 1.00 0.91 H new ATOM 0 HZ1 LYS A 111 -12.338 9.503 -7.957 1.00 1.78 H new ATOM 0 HZ2 LYS A 111 -10.663 9.774 -7.884 1.00 1.78 H new ATOM 0 HZ3 LYS A 111 -11.280 8.206 -7.669 1.00 1.78 H new ATOM 1325 N ALA A 112 -7.885 5.111 -6.475 1.00 0.22 N ATOM 1326 CA ALA A 112 -8.104 4.241 -7.613 1.00 0.26 C ATOM 1327 C ALA A 112 -9.276 4.719 -8.462 1.00 0.38 C ATOM 1328 O ALA A 112 -10.247 5.276 -7.946 1.00 0.45 O ATOM 1329 CB ALA A 112 -8.352 2.822 -7.142 1.00 0.33 C ATOM 0 H ALA A 112 -8.047 4.659 -5.575 1.00 0.22 H new ATOM 0 HA ALA A 112 -7.207 4.267 -8.232 1.00 0.26 H new ATOM 0 HB1 ALA A 112 -8.516 2.176 -8.004 1.00 0.33 H new ATOM 0 HB2 ALA A 112 -7.486 2.468 -6.582 1.00 0.33 H new ATOM 0 HB3 ALA A 112 -9.233 2.800 -6.500 1.00 0.33 H new ATOM 1335 N LEU A 113 -9.182 4.493 -9.766 1.00 0.47 N ATOM 1336 CA LEU A 113 -10.248 4.856 -10.699 1.00 0.64 C ATOM 1337 C LEU A 113 -11.523 4.049 -10.431 1.00 0.76 C ATOM 1338 O LEU A 113 -12.583 4.340 -10.982 1.00 0.96 O ATOM 1339 CB LEU A 113 -9.800 4.649 -12.156 1.00 0.76 C ATOM 1340 CG LEU A 113 -9.599 3.193 -12.606 1.00 1.55 C ATOM 1341 CD1 LEU A 113 -9.512 3.119 -14.123 1.00 2.27 C ATOM 1342 CD2 LEU A 113 -8.343 2.594 -11.985 1.00 2.39 C ATOM 0 H LEU A 113 -8.372 4.056 -10.207 1.00 0.47 H new ATOM 0 HA LEU A 113 -10.467 5.912 -10.543 1.00 0.64 H new ATOM 0 HB2 LEU A 113 -10.540 5.110 -12.810 1.00 0.76 H new ATOM 0 HB3 LEU A 113 -8.863 5.186 -12.306 1.00 0.76 H new ATOM 0 HG LEU A 113 -10.458 2.615 -12.266 1.00 1.55 H new ATOM 0 HD11 LEU A 113 -9.370 2.083 -14.429 1.00 2.27 H new ATOM 0 HD12 LEU A 113 -10.434 3.503 -14.559 1.00 2.27 H new ATOM 0 HD13 LEU A 113 -8.670 3.718 -14.469 1.00 2.27 H new ATOM 0 HD21 LEU A 113 -8.227 1.564 -12.321 1.00 2.39 H new ATOM 0 HD22 LEU A 113 -7.473 3.176 -12.290 1.00 2.39 H new ATOM 0 HD23 LEU A 113 -8.429 2.614 -10.899 1.00 2.39 H new ATOM 1354 N SER A 114 -11.410 3.041 -9.580 1.00 0.73 N ATOM 1355 CA SER A 114 -12.538 2.197 -9.226 1.00 0.92 C ATOM 1356 C SER A 114 -13.436 2.866 -8.178 1.00 0.93 C ATOM 1357 O SER A 114 -14.489 2.336 -7.819 1.00 1.27 O ATOM 1358 CB SER A 114 -12.012 0.858 -8.713 1.00 1.04 C ATOM 1359 OG SER A 114 -10.822 1.041 -7.964 1.00 1.66 O ATOM 0 H SER A 114 -10.537 2.787 -9.118 1.00 0.73 H new ATOM 0 HA SER A 114 -13.151 2.036 -10.113 1.00 0.92 H new ATOM 0 HB2 SER A 114 -12.768 0.378 -8.092 1.00 1.04 H new ATOM 0 HB3 SER A 114 -11.820 0.191 -9.553 1.00 1.04 H new ATOM 0 HG SER A 114 -10.501 0.173 -7.642 1.00 1.66 H new ATOM 1365 N GLY A 115 -13.015 4.026 -7.690 1.00 0.71 N ATOM 1366 CA GLY A 115 -13.812 4.753 -6.722 1.00 0.79 C ATOM 1367 C GLY A 115 -13.198 4.728 -5.342 1.00 0.78 C ATOM 1368 O GLY A 115 -12.050 5.139 -5.162 1.00 1.52 O ATOM 0 H GLY A 115 -12.136 4.476 -7.947 1.00 0.71 H new ATOM 0 HA2 GLY A 115 -13.924 5.787 -7.049 1.00 0.79 H new ATOM 0 HA3 GLY A 115 -14.812 4.322 -6.680 1.00 0.79 H new ATOM 1372 N ASP A 116 -13.954 4.236 -4.364 1.00 0.72 N ATOM 1373 CA ASP A 116 -13.465 4.153 -2.990 1.00 0.85 C ATOM 1374 C ASP A 116 -12.420 3.056 -2.863 1.00 0.80 C ATOM 1375 O ASP A 116 -12.727 1.908 -2.540 1.00 1.40 O ATOM 1376 CB ASP A 116 -14.608 3.911 -2.006 1.00 1.25 C ATOM 1377 CG ASP A 116 -14.136 3.933 -0.565 1.00 2.10 C ATOM 1378 OD1 ASP A 116 -14.249 2.898 0.125 1.00 2.63 O ATOM 1379 OD2 ASP A 116 -13.657 4.991 -0.111 1.00 2.79 O ATOM 0 H ASP A 116 -14.904 3.890 -4.496 1.00 0.72 H new ATOM 0 HA ASP A 116 -13.005 5.110 -2.743 1.00 0.85 H new ATOM 0 HB2 ASP A 116 -15.375 4.673 -2.147 1.00 1.25 H new ATOM 0 HB3 ASP A 116 -15.072 2.948 -2.220 1.00 1.25 H new ATOM 1384 N SER A 117 -11.191 3.428 -3.164 1.00 0.42 N ATOM 1385 CA SER A 117 -10.055 2.533 -3.141 1.00 0.29 C ATOM 1386 C SER A 117 -8.812 3.336 -3.449 1.00 0.22 C ATOM 1387 O SER A 117 -8.892 4.367 -4.113 1.00 0.25 O ATOM 1388 CB SER A 117 -10.228 1.412 -4.153 1.00 0.34 C ATOM 1389 OG SER A 117 -10.783 1.900 -5.367 1.00 0.44 O ATOM 0 H SER A 117 -10.951 4.381 -3.437 1.00 0.42 H new ATOM 0 HA SER A 117 -9.969 2.074 -2.156 1.00 0.29 H new ATOM 0 HB2 SER A 117 -9.263 0.946 -4.352 1.00 0.34 H new ATOM 0 HB3 SER A 117 -10.876 0.640 -3.738 1.00 0.34 H new ATOM 0 HG SER A 117 -10.593 1.268 -6.091 1.00 0.44 H new ATOM 1395 N TYR A 118 -7.679 2.892 -2.955 1.00 0.19 N ATOM 1396 CA TYR A 118 -6.436 3.629 -3.138 1.00 0.19 C ATOM 1397 C TYR A 118 -5.276 2.667 -3.368 1.00 0.20 C ATOM 1398 O TYR A 118 -5.199 1.613 -2.734 1.00 0.25 O ATOM 1399 CB TYR A 118 -6.157 4.524 -1.922 1.00 0.22 C ATOM 1400 CG TYR A 118 -7.331 5.370 -1.498 1.00 0.23 C ATOM 1401 CD1 TYR A 118 -8.155 4.972 -0.462 1.00 0.30 C ATOM 1402 CD2 TYR A 118 -7.605 6.566 -2.133 1.00 0.25 C ATOM 1403 CE1 TYR A 118 -9.229 5.746 -0.064 1.00 0.35 C ATOM 1404 CE2 TYR A 118 -8.678 7.352 -1.746 1.00 0.30 C ATOM 1405 CZ TYR A 118 -9.505 6.920 -0.726 1.00 0.34 C ATOM 1406 OH TYR A 118 -10.552 7.710 -0.307 1.00 0.42 O ATOM 0 H TYR A 118 -7.586 2.027 -2.423 1.00 0.19 H new ATOM 0 HA TYR A 118 -6.538 4.265 -4.018 1.00 0.19 H new ATOM 0 HB2 TYR A 118 -5.854 3.896 -1.084 1.00 0.22 H new ATOM 0 HB3 TYR A 118 -5.316 5.178 -2.151 1.00 0.22 H new ATOM 0 HD1 TYR A 118 -7.956 4.040 0.046 1.00 0.30 H new ATOM 0 HD2 TYR A 118 -6.972 6.894 -2.945 1.00 0.25 H new ATOM 0 HE1 TYR A 118 -9.848 5.431 0.763 1.00 0.35 H new ATOM 0 HE2 TYR A 118 -8.867 8.295 -2.237 1.00 0.30 H new ATOM 0 HH TYR A 118 -10.700 7.576 0.652 1.00 0.42 H new ATOM 1416 N TRP A 119 -4.392 3.019 -4.293 1.00 0.20 N ATOM 1417 CA TRP A 119 -3.256 2.192 -4.615 1.00 0.22 C ATOM 1418 C TRP A 119 -2.071 2.512 -3.732 1.00 0.25 C ATOM 1419 O TRP A 119 -2.035 3.536 -3.051 1.00 0.27 O ATOM 1420 CB TRP A 119 -2.825 2.427 -6.056 1.00 0.25 C ATOM 1421 CG TRP A 119 -3.774 1.934 -7.089 1.00 0.26 C ATOM 1422 CD1 TRP A 119 -5.003 2.433 -7.398 1.00 0.27 C ATOM 1423 CD2 TRP A 119 -3.532 0.858 -7.988 1.00 0.30 C ATOM 1424 NE1 TRP A 119 -5.558 1.695 -8.425 1.00 0.32 N ATOM 1425 CE2 TRP A 119 -4.667 0.724 -8.802 1.00 0.33 C ATOM 1426 CE3 TRP A 119 -2.462 -0.012 -8.171 1.00 0.34 C ATOM 1427 CZ2 TRP A 119 -4.756 -0.256 -9.786 1.00 0.40 C ATOM 1428 CZ3 TRP A 119 -2.547 -0.976 -9.136 1.00 0.40 C ATOM 1429 CH2 TRP A 119 -3.688 -1.098 -9.939 1.00 0.42 C ATOM 0 H TRP A 119 -4.449 3.882 -4.833 1.00 0.20 H new ATOM 0 HA TRP A 119 -3.563 1.157 -4.462 1.00 0.22 H new ATOM 0 HB2 TRP A 119 -2.675 3.497 -6.204 1.00 0.25 H new ATOM 0 HB3 TRP A 119 -1.860 1.945 -6.213 1.00 0.25 H new ATOM 0 HD1 TRP A 119 -5.472 3.277 -6.914 1.00 0.27 H new ATOM 0 HE1 TRP A 119 -6.479 1.847 -8.835 1.00 0.32 H new ATOM 0 HE3 TRP A 119 -1.576 0.073 -7.559 1.00 0.34 H new ATOM 0 HZ2 TRP A 119 -5.635 -0.349 -10.406 1.00 0.40 H new ATOM 0 HZ3 TRP A 119 -1.720 -1.655 -9.282 1.00 0.40 H new ATOM 0 HH2 TRP A 119 -3.726 -1.871 -10.693 1.00 0.42 H new ATOM 1440 N VAL A 120 -1.101 1.623 -3.782 1.00 0.28 N ATOM 1441 CA VAL A 120 0.175 1.801 -3.121 1.00 0.32 C ATOM 1442 C VAL A 120 1.297 1.407 -4.086 1.00 0.34 C ATOM 1443 O VAL A 120 1.624 0.227 -4.230 1.00 0.43 O ATOM 1444 CB VAL A 120 0.265 1.050 -2.025 1.00 0.38 C ATOM 1445 CG1 VAL A 120 1.584 1.301 -1.303 1.00 0.56 C ATOM 1446 CG2 VAL A 120 -0.899 1.280 -1.071 1.00 0.62 C ATOM 0 H VAL A 120 -1.178 0.743 -4.291 1.00 0.28 H new ATOM 0 HA VAL A 120 0.265 2.847 -2.829 1.00 0.32 H new ATOM 0 HB VAL A 120 0.226 0.011 -2.352 1.00 0.38 H new ATOM 0 HG11 VAL A 120 1.635 0.677 -0.411 1.00 0.56 H new ATOM 0 HG12 VAL A 120 2.414 1.056 -1.966 1.00 0.56 H new ATOM 0 HG13 VAL A 120 1.647 2.350 -1.015 1.00 0.56 H new ATOM 0 HG21 VAL A 120 -0.781 0.645 -0.193 1.00 0.62 H new ATOM 0 HG22 VAL A 120 -0.916 2.326 -0.763 1.00 0.62 H new ATOM 0 HG23 VAL A 120 -1.835 1.034 -1.573 1.00 0.62 H new ATOM 1456 N PHE A 121 1.870 2.392 -4.758 1.00 0.34 N ATOM 1457 CA PHE A 121 3.035 2.160 -5.605 1.00 0.42 C ATOM 1458 C PHE A 121 4.302 2.461 -4.816 1.00 0.40 C ATOM 1459 O PHE A 121 4.451 3.557 -4.279 1.00 0.49 O ATOM 1460 CB PHE A 121 2.992 3.039 -6.856 1.00 0.61 C ATOM 1461 CG PHE A 121 1.918 2.673 -7.840 1.00 0.49 C ATOM 1462 CD1 PHE A 121 0.660 3.246 -7.760 1.00 0.52 C ATOM 1463 CD2 PHE A 121 2.173 1.768 -8.856 1.00 0.98 C ATOM 1464 CE1 PHE A 121 -0.322 2.922 -8.675 1.00 0.96 C ATOM 1465 CE2 PHE A 121 1.194 1.438 -9.771 1.00 1.49 C ATOM 1466 CZ PHE A 121 -0.055 2.016 -9.682 1.00 1.45 C ATOM 0 H PHE A 121 1.550 3.360 -4.735 1.00 0.34 H new ATOM 0 HA PHE A 121 3.029 1.116 -5.920 1.00 0.42 H new ATOM 0 HB2 PHE A 121 2.849 4.076 -6.551 1.00 0.61 H new ATOM 0 HB3 PHE A 121 3.959 2.984 -7.356 1.00 0.61 H new ATOM 0 HD1 PHE A 121 0.445 3.954 -6.973 1.00 0.52 H new ATOM 0 HD2 PHE A 121 3.150 1.315 -8.934 1.00 0.98 H new ATOM 0 HE1 PHE A 121 -1.299 3.377 -8.603 1.00 0.96 H new ATOM 0 HE2 PHE A 121 1.406 0.728 -10.556 1.00 1.49 H new ATOM 0 HZ PHE A 121 -0.822 1.761 -10.398 1.00 1.45 H new ATOM 1476 N VAL A 122 5.207 1.493 -4.735 1.00 0.49 N ATOM 1477 CA VAL A 122 6.423 1.654 -3.943 1.00 0.61 C ATOM 1478 C VAL A 122 7.663 1.313 -4.768 1.00 0.73 C ATOM 1479 O VAL A 122 7.687 0.314 -5.491 1.00 0.95 O ATOM 1480 CB VAL A 122 6.415 0.886 -2.850 1.00 0.77 C ATOM 1481 CG1 VAL A 122 7.615 1.187 -1.955 1.00 1.61 C ATOM 1482 CG2 VAL A 122 5.123 1.038 -2.061 1.00 1.52 C ATOM 0 H VAL A 122 5.124 0.592 -5.205 1.00 0.49 H new ATOM 0 HA VAL A 122 6.454 2.700 -3.639 1.00 0.61 H new ATOM 0 HB VAL A 122 6.483 -0.148 -3.190 1.00 0.77 H new ATOM 0 HG11 VAL A 122 7.581 0.547 -1.074 1.00 1.61 H new ATOM 0 HG12 VAL A 122 8.536 0.998 -2.506 1.00 1.61 H new ATOM 0 HG13 VAL A 122 7.585 2.232 -1.646 1.00 1.61 H new ATOM 0 HG21 VAL A 122 5.157 0.397 -1.180 1.00 1.52 H new ATOM 0 HG22 VAL A 122 5.007 2.076 -1.750 1.00 1.52 H new ATOM 0 HG23 VAL A 122 4.278 0.750 -2.687 1.00 1.52 H new ATOM 1492 N LYS A 123 8.667 2.177 -4.707 1.00 0.76 N ATOM 1493 CA LYS A 123 9.956 1.895 -5.311 1.00 0.97 C ATOM 1494 C LYS A 123 11.035 1.881 -4.236 1.00 1.04 C ATOM 1495 O LYS A 123 11.381 2.919 -3.688 1.00 1.02 O ATOM 1496 CB LYS A 123 10.292 2.928 -6.391 1.00 1.11 C ATOM 1497 CG LYS A 123 9.355 2.884 -7.587 1.00 1.66 C ATOM 1498 CD LYS A 123 9.386 1.521 -8.261 1.00 2.03 C ATOM 1499 CE LYS A 123 8.385 1.428 -9.400 1.00 2.74 C ATOM 1500 NZ LYS A 123 8.348 0.063 -9.990 1.00 3.45 N ATOM 0 H LYS A 123 8.610 3.083 -4.242 1.00 0.76 H new ATOM 0 HA LYS A 123 9.911 0.915 -5.786 1.00 0.97 H new ATOM 0 HB2 LYS A 123 10.260 3.925 -5.951 1.00 1.11 H new ATOM 0 HB3 LYS A 123 11.314 2.764 -6.734 1.00 1.11 H new ATOM 0 HG2 LYS A 123 8.339 3.110 -7.264 1.00 1.66 H new ATOM 0 HG3 LYS A 123 9.640 3.654 -8.304 1.00 1.66 H new ATOM 0 HD2 LYS A 123 10.389 1.328 -8.642 1.00 2.03 H new ATOM 0 HD3 LYS A 123 9.170 0.747 -7.524 1.00 2.03 H new ATOM 0 HE2 LYS A 123 7.393 1.694 -9.035 1.00 2.74 H new ATOM 0 HE3 LYS A 123 8.645 2.152 -10.173 1.00 2.74 H new ATOM 0 HZ1 LYS A 123 7.654 0.038 -10.764 1.00 3.45 H new ATOM 0 HZ2 LYS A 123 9.289 -0.181 -10.361 1.00 3.45 H new ATOM 0 HZ3 LYS A 123 8.076 -0.624 -9.258 1.00 3.45 H new