USER MOD reduce.3.24.130724 H: found=0, std=0, add=553, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 554 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 Single : A 100 LYS NZ :NH3+ -169:sc=-0.00998 (180deg=-0.136) USER MOD Single : A 101 ASN : amide:sc= 0.951 K(o=0.95,f=-0.63) USER MOD Single : A 104 GLN : amide:sc= 0.616 K(o=0.62,f=-4.3!) USER MOD Single : A 106 SER OG : rot 50:sc= -3.73! USER MOD Single : A 107 ASN : amide:sc= -4.65! C(o=-4.7!,f=-4.7!) USER MOD Single : A 109 GLN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 112 HIS : no HD1:sc= -0.158 X(o=-0.16,f=-0.008) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD Single : A 121 LYS NZ :NH3+ 157:sc= -0.0751 (180deg=-0.397) USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 124 TYR OH : rot 180:sc= 0 USER MOD Single : A 128 ASN : amide:sc= -0.926 K(o=-0.93,f=-1.8!) USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 THR OG1 : rot 67:sc= 1.17 USER MOD Single : A 135 THR OG1 : rot 180:sc= 0 USER MOD Single : A 138 ASN : amide:sc= 0 X(o=0,f=-0.086) USER MOD Single : A 141 GLN : amide:sc= -0.583 X(o=-0.58,f=-0.093) USER MOD Single : A 143 GLN : amide:sc= -0.873 K(o=-0.87,f=-0.019) USER MOD Single : A 144 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 147 GLN : amide:sc= -1.66 K(o=-1.7,f=-0.45!) USER MOD Single : A 148 MET CE :methyl 151:sc= -0.237 (180deg=-1.43!) USER MOD Single : A 150 HIS : no HD1:sc= -2.71 K(o=-2.7,f=-3.9) USER MOD Single : A 151 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 152 TYR OH : rot 180:sc= 0 USER MOD Single : A 153 SER OG : rot 180:sc= 0 USER MOD Single : A 157 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.169) USER MOD Single : A 162 GLN : amide:sc= -2.02 K(o=-2,f=-6.2!) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 96 1.534 12.296 -1.883 1.00 0.00 N ATOM 60 CA GLY A 96 1.947 11.313 -0.899 1.00 0.00 C ATOM 61 C GLY A 96 0.816 10.391 -0.491 1.00 0.00 C ATOM 62 O GLY A 96 -0.219 10.845 -0.002 1.00 0.00 O ATOM 0 HA2 GLY A 96 2.767 10.720 -1.304 1.00 0.00 H new ATOM 0 HA3 GLY A 96 2.330 11.826 -0.017 1.00 0.00 H new ATOM 66 N ILE A 97 1.011 9.092 -0.693 1.00 0.00 N ATOM 67 CA ILE A 97 -0.001 8.104 -0.343 1.00 0.00 C ATOM 68 C ILE A 97 0.559 7.058 0.615 1.00 0.00 C ATOM 69 O ILE A 97 1.772 6.862 0.697 1.00 0.00 O ATOM 70 CB ILE A 97 -0.553 7.395 -1.594 1.00 0.00 C ATOM 71 CG1 ILE A 97 0.597 6.874 -2.460 1.00 0.00 C ATOM 72 CG2 ILE A 97 -1.437 8.341 -2.392 1.00 0.00 C ATOM 73 CD1 ILE A 97 0.148 5.936 -3.558 1.00 0.00 C ATOM 0 H ILE A 97 1.861 8.700 -1.097 1.00 0.00 H new ATOM 0 HA ILE A 97 -0.812 8.644 0.146 1.00 0.00 H new ATOM 0 HB ILE A 97 -1.158 6.546 -1.276 1.00 0.00 H new ATOM 0 HG12 ILE A 97 1.117 7.721 -2.907 1.00 0.00 H new ATOM 0 HG13 ILE A 97 1.316 6.358 -1.823 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -1.819 7.825 -3.273 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -2.272 8.669 -1.772 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -0.854 9.208 -2.703 1.00 0.00 H new ATOM 0 HD11 ILE A 97 1.014 5.606 -4.132 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -0.346 5.070 -3.117 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -0.548 6.455 -4.218 1.00 0.00 H new ATOM 85 N LEU A 98 -0.332 6.387 1.336 1.00 0.00 N ATOM 86 CA LEU A 98 0.072 5.358 2.288 1.00 0.00 C ATOM 87 C LEU A 98 -0.323 3.971 1.792 1.00 0.00 C ATOM 88 O LEU A 98 -1.452 3.758 1.347 1.00 0.00 O ATOM 89 CB LEU A 98 -0.561 5.623 3.655 1.00 0.00 C ATOM 90 CG LEU A 98 -0.253 6.982 4.285 1.00 0.00 C ATOM 91 CD1 LEU A 98 -0.816 7.055 5.696 1.00 0.00 C ATOM 92 CD2 LEU A 98 1.247 7.239 4.294 1.00 0.00 C ATOM 0 H LEU A 98 -1.339 6.537 1.280 1.00 0.00 H new ATOM 0 HA LEU A 98 1.157 5.393 2.384 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -1.642 5.527 3.557 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -0.233 4.843 4.342 1.00 0.00 H new ATOM 0 HG LEU A 98 -0.730 7.756 3.684 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -0.587 8.029 6.129 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -1.897 6.917 5.664 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -0.368 6.272 6.308 1.00 0.00 H new ATOM 0 HD21 LEU A 98 1.447 8.211 4.746 1.00 0.00 H new ATOM 0 HD22 LEU A 98 1.746 6.461 4.871 1.00 0.00 H new ATOM 0 HD23 LEU A 98 1.624 7.230 3.271 1.00 0.00 H new ATOM 104 N VAL A 99 0.612 3.030 1.872 1.00 0.00 N ATOM 105 CA VAL A 99 0.360 1.663 1.434 1.00 0.00 C ATOM 106 C VAL A 99 0.173 0.730 2.625 1.00 0.00 C ATOM 107 O VAL A 99 1.143 0.230 3.196 1.00 0.00 O ATOM 108 CB VAL A 99 1.511 1.133 0.558 1.00 0.00 C ATOM 109 CG1 VAL A 99 1.449 -0.383 0.454 1.00 0.00 C ATOM 110 CG2 VAL A 99 1.467 1.773 -0.822 1.00 0.00 C ATOM 0 H VAL A 99 1.551 3.190 2.236 1.00 0.00 H new ATOM 0 HA VAL A 99 -0.556 1.684 0.844 1.00 0.00 H new ATOM 0 HB VAL A 99 2.457 1.402 1.029 1.00 0.00 H new ATOM 0 HG11 VAL A 99 2.270 -0.739 -0.169 1.00 0.00 H new ATOM 0 HG12 VAL A 99 1.533 -0.820 1.449 1.00 0.00 H new ATOM 0 HG13 VAL A 99 0.500 -0.679 0.007 1.00 0.00 H new ATOM 0 HG21 VAL A 99 2.287 1.388 -1.428 1.00 0.00 H new ATOM 0 HG22 VAL A 99 0.518 1.536 -1.303 1.00 0.00 H new ATOM 0 HG23 VAL A 99 1.565 2.854 -0.725 1.00 0.00 H new ATOM 120 N LYS A 100 -1.082 0.499 2.997 1.00 0.00 N ATOM 121 CA LYS A 100 -1.399 -0.376 4.120 1.00 0.00 C ATOM 122 C LYS A 100 -1.902 -1.730 3.629 1.00 0.00 C ATOM 123 O LYS A 100 -2.346 -1.862 2.490 1.00 0.00 O ATOM 124 CB LYS A 100 -2.452 0.276 5.019 1.00 0.00 C ATOM 125 CG LYS A 100 -2.060 1.659 5.510 1.00 0.00 C ATOM 126 CD LYS A 100 -2.712 1.983 6.843 1.00 0.00 C ATOM 127 CE LYS A 100 -2.282 3.349 7.357 1.00 0.00 C ATOM 128 NZ LYS A 100 -0.840 3.374 7.724 1.00 0.00 N ATOM 0 H LYS A 100 -1.896 0.906 2.537 1.00 0.00 H new ATOM 0 HA LYS A 100 -0.487 -0.534 4.695 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -3.392 0.347 4.471 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -2.632 -0.368 5.879 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -0.976 1.717 5.611 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -2.352 2.405 4.771 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -3.796 1.959 6.734 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -2.448 1.219 7.574 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -2.475 4.102 6.593 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -2.883 3.616 8.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -0.628 4.252 8.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -0.621 2.557 8.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -0.261 3.331 6.861 1.00 0.00 H new ATOM 142 N ASN A 101 -1.831 -2.732 4.499 1.00 0.00 N ATOM 143 CA ASN A 101 -2.280 -4.076 4.154 1.00 0.00 C ATOM 144 C ASN A 101 -1.301 -4.748 3.196 1.00 0.00 C ATOM 145 O ASN A 101 -1.703 -5.333 2.189 1.00 0.00 O ATOM 146 CB ASN A 101 -3.674 -4.025 3.524 1.00 0.00 C ATOM 147 CG ASN A 101 -4.443 -5.318 3.715 1.00 0.00 C ATOM 148 OD1 ASN A 101 -4.420 -5.914 4.792 1.00 0.00 O ATOM 149 ND2 ASN A 101 -5.129 -5.758 2.667 1.00 0.00 N ATOM 0 H ASN A 101 -1.467 -2.639 5.447 1.00 0.00 H new ATOM 0 HA ASN A 101 -2.324 -4.664 5.071 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -4.238 -3.202 3.963 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -3.581 -3.815 2.458 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -5.666 -6.623 2.735 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -5.119 -5.231 1.794 1.00 0.00 H new ATOM 156 N LEU A 102 -0.015 -4.662 3.517 1.00 0.00 N ATOM 157 CA LEU A 102 1.023 -5.262 2.686 1.00 0.00 C ATOM 158 C LEU A 102 1.297 -6.701 3.111 1.00 0.00 C ATOM 159 O LEU A 102 1.044 -7.096 4.249 1.00 0.00 O ATOM 160 CB LEU A 102 2.310 -4.439 2.769 1.00 0.00 C ATOM 161 CG LEU A 102 2.315 -3.120 1.996 1.00 0.00 C ATOM 162 CD1 LEU A 102 3.608 -2.360 2.246 1.00 0.00 C ATOM 163 CD2 LEU A 102 2.123 -3.374 0.508 1.00 0.00 C ATOM 0 H LEU A 102 0.334 -4.183 4.347 1.00 0.00 H new ATOM 0 HA LEU A 102 0.670 -5.269 1.655 1.00 0.00 H new ATOM 0 HB2 LEU A 102 2.512 -4.223 3.818 1.00 0.00 H new ATOM 0 HB3 LEU A 102 3.134 -5.053 2.406 1.00 0.00 H new ATOM 0 HG LEU A 102 1.484 -2.510 2.351 1.00 0.00 H new ATOM 0 HD11 LEU A 102 3.594 -1.424 1.688 1.00 0.00 H new ATOM 0 HD12 LEU A 102 3.704 -2.146 3.310 1.00 0.00 H new ATOM 0 HD13 LEU A 102 4.454 -2.964 1.919 1.00 0.00 H new ATOM 0 HD21 LEU A 102 2.129 -2.424 -0.027 1.00 0.00 H new ATOM 0 HD22 LEU A 102 2.933 -4.004 0.139 1.00 0.00 H new ATOM 0 HD23 LEU A 102 1.170 -3.876 0.345 1.00 0.00 H new ATOM 175 N PRO A 103 1.828 -7.503 2.177 1.00 0.00 N ATOM 176 CA PRO A 103 2.151 -8.910 2.432 1.00 0.00 C ATOM 177 C PRO A 103 3.333 -9.070 3.382 1.00 0.00 C ATOM 178 O PRO A 103 3.777 -8.105 4.002 1.00 0.00 O ATOM 179 CB PRO A 103 2.503 -9.451 1.044 1.00 0.00 C ATOM 180 CG PRO A 103 2.958 -8.258 0.277 1.00 0.00 C ATOM 181 CD PRO A 103 2.155 -7.099 0.799 1.00 0.00 C ATOM 0 HA PRO A 103 1.327 -9.437 2.913 1.00 0.00 H new ATOM 0 HB2 PRO A 103 3.286 -10.207 1.101 1.00 0.00 H new ATOM 0 HB3 PRO A 103 1.640 -9.920 0.571 1.00 0.00 H new ATOM 0 HG2 PRO A 103 4.025 -8.088 0.417 1.00 0.00 H new ATOM 0 HG3 PRO A 103 2.795 -8.396 -0.792 1.00 0.00 H new ATOM 0 HD2 PRO A 103 2.727 -6.172 0.777 1.00 0.00 H new ATOM 0 HD3 PRO A 103 1.256 -6.933 0.205 1.00 0.00 H new ATOM 189 N GLN A 104 3.837 -10.295 3.490 1.00 0.00 N ATOM 190 CA GLN A 104 4.968 -10.581 4.366 1.00 0.00 C ATOM 191 C GLN A 104 6.289 -10.383 3.630 1.00 0.00 C ATOM 192 O GLN A 104 7.359 -10.398 4.239 1.00 0.00 O ATOM 193 CB GLN A 104 4.878 -12.011 4.901 1.00 0.00 C ATOM 194 CG GLN A 104 4.992 -13.073 3.820 1.00 0.00 C ATOM 195 CD GLN A 104 3.649 -13.449 3.226 1.00 0.00 C ATOM 196 OE1 GLN A 104 3.129 -12.759 2.349 1.00 0.00 O ATOM 197 NE2 GLN A 104 3.078 -14.549 3.703 1.00 0.00 N ATOM 0 H GLN A 104 3.481 -11.105 2.983 1.00 0.00 H new ATOM 0 HA GLN A 104 4.931 -9.885 5.204 1.00 0.00 H new ATOM 0 HB2 GLN A 104 5.668 -12.166 5.635 1.00 0.00 H new ATOM 0 HB3 GLN A 104 3.929 -12.136 5.423 1.00 0.00 H new ATOM 0 HG2 GLN A 104 5.647 -12.710 3.027 1.00 0.00 H new ATOM 0 HG3 GLN A 104 5.462 -13.963 4.239 1.00 0.00 H new ATOM 0 HE21 GLN A 104 3.544 -15.091 4.430 1.00 0.00 H new ATOM 0 HE22 GLN A 104 2.173 -14.852 3.342 1.00 0.00 H new ATOM 206 N ASP A 105 6.207 -10.197 2.317 1.00 0.00 N ATOM 207 CA ASP A 105 7.397 -9.996 1.498 1.00 0.00 C ATOM 208 C ASP A 105 7.298 -8.695 0.707 1.00 0.00 C ATOM 209 O ASP A 105 7.843 -8.581 -0.390 1.00 0.00 O ATOM 210 CB ASP A 105 7.589 -11.174 0.542 1.00 0.00 C ATOM 211 CG ASP A 105 8.167 -12.393 1.234 1.00 0.00 C ATOM 212 OD1 ASP A 105 7.720 -12.704 2.358 1.00 0.00 O ATOM 213 OD2 ASP A 105 9.066 -13.036 0.652 1.00 0.00 O ATOM 0 H ASP A 105 5.329 -10.181 1.797 1.00 0.00 H new ATOM 0 HA ASP A 105 8.259 -9.933 2.162 1.00 0.00 H new ATOM 0 HB2 ASP A 105 6.630 -11.435 0.094 1.00 0.00 H new ATOM 0 HB3 ASP A 105 8.250 -10.874 -0.271 1.00 0.00 H new ATOM 218 N SER A 106 6.598 -7.716 1.273 1.00 0.00 N ATOM 219 CA SER A 106 6.424 -6.425 0.619 1.00 0.00 C ATOM 220 C SER A 106 7.744 -5.663 0.560 1.00 0.00 C ATOM 221 O SER A 106 8.548 -5.719 1.490 1.00 0.00 O ATOM 222 CB SER A 106 5.375 -5.592 1.359 1.00 0.00 C ATOM 223 OG SER A 106 4.867 -4.559 0.533 1.00 0.00 O ATOM 0 H SER A 106 6.143 -7.793 2.183 1.00 0.00 H new ATOM 0 HA SER A 106 6.083 -6.605 -0.400 1.00 0.00 H new ATOM 0 HB2 SER A 106 4.558 -6.236 1.684 1.00 0.00 H new ATOM 0 HB3 SER A 106 5.817 -5.160 2.257 1.00 0.00 H new ATOM 0 HG SER A 106 4.597 -4.934 -0.331 1.00 0.00 H new ATOM 229 N ASN A 107 7.961 -4.951 -0.541 1.00 0.00 N ATOM 230 CA ASN A 107 9.184 -4.178 -0.723 1.00 0.00 C ATOM 231 C ASN A 107 8.975 -3.062 -1.742 1.00 0.00 C ATOM 232 O ASN A 107 8.010 -3.076 -2.507 1.00 0.00 O ATOM 233 CB ASN A 107 10.326 -5.090 -1.176 1.00 0.00 C ATOM 234 CG ASN A 107 10.434 -6.344 -0.330 1.00 0.00 C ATOM 235 OD1 ASN A 107 10.829 -6.289 0.834 1.00 0.00 O ATOM 236 ND2 ASN A 107 10.083 -7.484 -0.915 1.00 0.00 N ATOM 0 H ASN A 107 7.306 -4.893 -1.321 1.00 0.00 H new ATOM 0 HA ASN A 107 9.446 -3.728 0.235 1.00 0.00 H new ATOM 0 HB2 ASN A 107 10.172 -5.370 -2.218 1.00 0.00 H new ATOM 0 HB3 ASN A 107 11.266 -4.541 -1.129 1.00 0.00 H new ATOM 0 HD21 ASN A 107 10.135 -8.361 -0.396 1.00 0.00 H new ATOM 0 HD22 ASN A 107 9.761 -7.483 -1.883 1.00 0.00 H new ATOM 243 N CYS A 108 9.887 -2.095 -1.748 1.00 0.00 N ATOM 244 CA CYS A 108 9.805 -0.971 -2.673 1.00 0.00 C ATOM 245 C CYS A 108 9.763 -1.457 -4.119 1.00 0.00 C ATOM 246 O CYS A 108 8.801 -1.202 -4.842 1.00 0.00 O ATOM 247 CB CYS A 108 10.996 -0.031 -2.473 1.00 0.00 C ATOM 248 SG CYS A 108 10.710 1.280 -1.242 1.00 0.00 S ATOM 0 H CYS A 108 10.692 -2.068 -1.122 1.00 0.00 H new ATOM 0 HA CYS A 108 8.883 -0.428 -2.465 1.00 0.00 H new ATOM 0 HB2 CYS A 108 11.862 -0.619 -2.168 1.00 0.00 H new ATOM 0 HB3 CYS A 108 11.245 0.431 -3.428 1.00 0.00 H new ATOM 253 N GLN A 109 10.813 -2.160 -4.531 1.00 0.00 N ATOM 254 CA GLN A 109 10.897 -2.681 -5.890 1.00 0.00 C ATOM 255 C GLN A 109 9.518 -3.083 -6.405 1.00 0.00 C ATOM 256 O GLN A 109 9.164 -2.796 -7.547 1.00 0.00 O ATOM 257 CB GLN A 109 11.843 -3.882 -5.941 1.00 0.00 C ATOM 258 CG GLN A 109 12.081 -4.409 -7.347 1.00 0.00 C ATOM 259 CD GLN A 109 12.970 -5.637 -7.367 1.00 0.00 C ATOM 260 OE1 GLN A 109 13.024 -6.394 -6.397 1.00 0.00 O ATOM 261 NE2 GLN A 109 13.674 -5.841 -8.474 1.00 0.00 N ATOM 0 H GLN A 109 11.617 -2.382 -3.944 1.00 0.00 H new ATOM 0 HA GLN A 109 11.289 -1.891 -6.531 1.00 0.00 H new ATOM 0 HB2 GLN A 109 12.799 -3.600 -5.501 1.00 0.00 H new ATOM 0 HB3 GLN A 109 11.433 -4.683 -5.326 1.00 0.00 H new ATOM 0 HG2 GLN A 109 11.123 -4.651 -7.807 1.00 0.00 H new ATOM 0 HG3 GLN A 109 12.537 -3.625 -7.952 1.00 0.00 H new ATOM 0 HE21 GLN A 109 13.599 -5.188 -9.254 1.00 0.00 H new ATOM 0 HE22 GLN A 109 14.290 -6.651 -8.545 1.00 0.00 H new ATOM 270 N GLU A 110 8.745 -3.750 -5.553 1.00 0.00 N ATOM 271 CA GLU A 110 7.406 -4.192 -5.922 1.00 0.00 C ATOM 272 C GLU A 110 6.492 -2.998 -6.184 1.00 0.00 C ATOM 273 O GLU A 110 5.777 -2.958 -7.186 1.00 0.00 O ATOM 274 CB GLU A 110 6.812 -5.071 -4.819 1.00 0.00 C ATOM 275 CG GLU A 110 7.189 -6.538 -4.941 1.00 0.00 C ATOM 276 CD GLU A 110 7.084 -7.051 -6.364 1.00 0.00 C ATOM 277 OE1 GLU A 110 6.189 -6.582 -7.099 1.00 0.00 O ATOM 278 OE2 GLU A 110 7.896 -7.920 -6.743 1.00 0.00 O ATOM 0 H GLU A 110 9.024 -3.996 -4.603 1.00 0.00 H new ATOM 0 HA GLU A 110 7.484 -4.776 -6.839 1.00 0.00 H new ATOM 0 HB2 GLU A 110 7.145 -4.698 -3.850 1.00 0.00 H new ATOM 0 HB3 GLU A 110 5.726 -4.981 -4.839 1.00 0.00 H new ATOM 0 HG2 GLU A 110 8.209 -6.678 -4.583 1.00 0.00 H new ATOM 0 HG3 GLU A 110 6.540 -7.131 -4.296 1.00 0.00 H new ATOM 285 N VAL A 111 6.521 -2.028 -5.277 1.00 0.00 N ATOM 286 CA VAL A 111 5.696 -0.833 -5.409 1.00 0.00 C ATOM 287 C VAL A 111 6.215 0.073 -6.519 1.00 0.00 C ATOM 288 O VAL A 111 5.494 0.387 -7.467 1.00 0.00 O ATOM 289 CB VAL A 111 5.648 -0.036 -4.091 1.00 0.00 C ATOM 290 CG1 VAL A 111 4.801 1.217 -4.256 1.00 0.00 C ATOM 291 CG2 VAL A 111 5.114 -0.905 -2.963 1.00 0.00 C ATOM 0 H VAL A 111 7.107 -2.046 -4.442 1.00 0.00 H new ATOM 0 HA VAL A 111 4.690 -1.169 -5.659 1.00 0.00 H new ATOM 0 HB VAL A 111 6.662 0.271 -3.834 1.00 0.00 H new ATOM 0 HG11 VAL A 111 4.778 1.767 -3.315 1.00 0.00 H new ATOM 0 HG12 VAL A 111 5.231 1.847 -5.035 1.00 0.00 H new ATOM 0 HG13 VAL A 111 3.786 0.936 -4.536 1.00 0.00 H new ATOM 0 HG21 VAL A 111 5.087 -0.326 -2.040 1.00 0.00 H new ATOM 0 HG22 VAL A 111 4.107 -1.243 -3.209 1.00 0.00 H new ATOM 0 HG23 VAL A 111 5.765 -1.769 -2.830 1.00 0.00 H new ATOM 301 N HIS A 112 7.471 0.491 -6.396 1.00 0.00 N ATOM 302 CA HIS A 112 8.088 1.361 -7.391 1.00 0.00 C ATOM 303 C HIS A 112 7.607 1.008 -8.795 1.00 0.00 C ATOM 304 O HIS A 112 6.958 1.815 -9.461 1.00 0.00 O ATOM 305 CB HIS A 112 9.611 1.253 -7.319 1.00 0.00 C ATOM 306 CG HIS A 112 10.324 2.432 -7.907 1.00 0.00 C ATOM 307 ND1 HIS A 112 11.511 2.921 -7.404 1.00 0.00 N ATOM 308 CD2 HIS A 112 10.011 3.219 -8.963 1.00 0.00 C ATOM 309 CE1 HIS A 112 11.897 3.959 -8.124 1.00 0.00 C ATOM 310 NE2 HIS A 112 11.004 4.161 -9.077 1.00 0.00 N ATOM 0 H HIS A 112 8.081 0.241 -5.618 1.00 0.00 H new ATOM 0 HA HIS A 112 7.793 2.387 -7.173 1.00 0.00 H new ATOM 0 HB2 HIS A 112 9.910 1.141 -6.277 1.00 0.00 H new ATOM 0 HB3 HIS A 112 9.928 0.350 -7.841 1.00 0.00 H new ATOM 0 HD2 HIS A 112 9.142 3.124 -9.598 1.00 0.00 H new ATOM 0 HE1 HIS A 112 12.791 4.543 -7.961 1.00 0.00 H new ATOM 0 HE2 HIS A 112 11.045 4.897 -9.782 1.00 0.00 H new ATOM 319 N ASP A 113 7.930 -0.202 -9.239 1.00 0.00 N ATOM 320 CA ASP A 113 7.530 -0.662 -10.564 1.00 0.00 C ATOM 321 C ASP A 113 6.019 -0.556 -10.743 1.00 0.00 C ATOM 322 O ASP A 113 5.538 -0.035 -11.750 1.00 0.00 O ATOM 323 CB ASP A 113 7.982 -2.107 -10.783 1.00 0.00 C ATOM 324 CG ASP A 113 9.417 -2.198 -11.263 1.00 0.00 C ATOM 325 OD1 ASP A 113 10.184 -1.240 -11.029 1.00 0.00 O ATOM 326 OD2 ASP A 113 9.774 -3.229 -11.871 1.00 0.00 O ATOM 0 H ASP A 113 8.467 -0.882 -8.701 1.00 0.00 H new ATOM 0 HA ASP A 113 8.011 -0.023 -11.304 1.00 0.00 H new ATOM 0 HB2 ASP A 113 7.878 -2.662 -9.851 1.00 0.00 H new ATOM 0 HB3 ASP A 113 7.327 -2.583 -11.513 1.00 0.00 H new ATOM 331 N LEU A 114 5.276 -1.054 -9.761 1.00 0.00 N ATOM 332 CA LEU A 114 3.818 -1.016 -9.811 1.00 0.00 C ATOM 333 C LEU A 114 3.320 0.391 -10.125 1.00 0.00 C ATOM 334 O LEU A 114 2.413 0.573 -10.938 1.00 0.00 O ATOM 335 CB LEU A 114 3.231 -1.492 -8.482 1.00 0.00 C ATOM 336 CG LEU A 114 1.718 -1.338 -8.323 1.00 0.00 C ATOM 337 CD1 LEU A 114 0.986 -2.422 -9.099 1.00 0.00 C ATOM 338 CD2 LEU A 114 1.329 -1.378 -6.852 1.00 0.00 C ATOM 0 H LEU A 114 5.658 -1.489 -8.921 1.00 0.00 H new ATOM 0 HA LEU A 114 3.489 -1.684 -10.607 1.00 0.00 H new ATOM 0 HB2 LEU A 114 3.485 -2.544 -8.352 1.00 0.00 H new ATOM 0 HB3 LEU A 114 3.719 -0.944 -7.675 1.00 0.00 H new ATOM 0 HG LEU A 114 1.427 -0.369 -8.729 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -0.089 -2.296 -8.974 1.00 0.00 H new ATOM 0 HD12 LEU A 114 1.239 -2.347 -10.156 1.00 0.00 H new ATOM 0 HD13 LEU A 114 1.283 -3.401 -8.724 1.00 0.00 H new ATOM 0 HD21 LEU A 114 0.249 -1.267 -6.758 1.00 0.00 H new ATOM 0 HD22 LEU A 114 1.635 -2.331 -6.421 1.00 0.00 H new ATOM 0 HD23 LEU A 114 1.825 -0.564 -6.322 1.00 0.00 H new ATOM 350 N LEU A 115 3.921 1.384 -9.478 1.00 0.00 N ATOM 351 CA LEU A 115 3.541 2.776 -9.690 1.00 0.00 C ATOM 352 C LEU A 115 4.443 3.435 -10.728 1.00 0.00 C ATOM 353 O LEU A 115 4.862 4.581 -10.565 1.00 0.00 O ATOM 354 CB LEU A 115 3.610 3.550 -8.372 1.00 0.00 C ATOM 355 CG LEU A 115 2.464 3.306 -7.389 1.00 0.00 C ATOM 356 CD1 LEU A 115 2.840 3.795 -5.999 1.00 0.00 C ATOM 357 CD2 LEU A 115 1.193 3.990 -7.872 1.00 0.00 C ATOM 0 H LEU A 115 4.673 1.251 -8.802 1.00 0.00 H new ATOM 0 HA LEU A 115 2.517 2.795 -10.062 1.00 0.00 H new ATOM 0 HB2 LEU A 115 4.547 3.300 -7.875 1.00 0.00 H new ATOM 0 HB3 LEU A 115 3.645 4.615 -8.601 1.00 0.00 H new ATOM 0 HG LEU A 115 2.278 2.233 -7.336 1.00 0.00 H new ATOM 0 HD11 LEU A 115 2.013 3.613 -5.313 1.00 0.00 H new ATOM 0 HD12 LEU A 115 3.724 3.260 -5.652 1.00 0.00 H new ATOM 0 HD13 LEU A 115 3.054 4.863 -6.035 1.00 0.00 H new ATOM 0 HD21 LEU A 115 0.388 3.806 -7.161 1.00 0.00 H new ATOM 0 HD22 LEU A 115 1.366 5.063 -7.954 1.00 0.00 H new ATOM 0 HD23 LEU A 115 0.914 3.592 -8.847 1.00 0.00 H new ATOM 369 N LYS A 116 4.738 2.704 -11.798 1.00 0.00 N ATOM 370 CA LYS A 116 5.587 3.218 -12.866 1.00 0.00 C ATOM 371 C LYS A 116 4.917 4.388 -13.578 1.00 0.00 C ATOM 372 O LYS A 116 5.588 5.312 -14.039 1.00 0.00 O ATOM 373 CB LYS A 116 5.904 2.109 -13.871 1.00 0.00 C ATOM 374 CG LYS A 116 4.687 1.610 -14.631 1.00 0.00 C ATOM 375 CD LYS A 116 5.023 0.406 -15.495 1.00 0.00 C ATOM 376 CE LYS A 116 5.772 0.815 -16.754 1.00 0.00 C ATOM 377 NZ LYS A 116 4.846 1.293 -17.818 1.00 0.00 N ATOM 0 H LYS A 116 4.401 1.753 -11.948 1.00 0.00 H new ATOM 0 HA LYS A 116 6.516 3.572 -12.419 1.00 0.00 H new ATOM 0 HB2 LYS A 116 6.642 2.477 -14.584 1.00 0.00 H new ATOM 0 HB3 LYS A 116 6.361 1.272 -13.343 1.00 0.00 H new ATOM 0 HG2 LYS A 116 3.900 1.344 -13.925 1.00 0.00 H new ATOM 0 HG3 LYS A 116 4.295 2.411 -15.258 1.00 0.00 H new ATOM 0 HD2 LYS A 116 5.628 -0.297 -14.922 1.00 0.00 H new ATOM 0 HD3 LYS A 116 4.105 -0.114 -15.769 1.00 0.00 H new ATOM 0 HE2 LYS A 116 6.486 1.603 -16.513 1.00 0.00 H new ATOM 0 HE3 LYS A 116 6.347 -0.033 -17.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 5.394 1.562 -18.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 4.181 0.533 -18.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 4.316 2.118 -17.472 1.00 0.00 H new ATOM 391 N ASP A 117 3.593 4.343 -13.664 1.00 0.00 N ATOM 392 CA ASP A 117 2.832 5.401 -14.318 1.00 0.00 C ATOM 393 C ASP A 117 3.109 6.753 -13.667 1.00 0.00 C ATOM 394 O ASP A 117 3.385 7.738 -14.351 1.00 0.00 O ATOM 395 CB ASP A 117 1.335 5.092 -14.263 1.00 0.00 C ATOM 396 CG ASP A 117 1.002 3.735 -14.850 1.00 0.00 C ATOM 397 OD1 ASP A 117 1.083 2.732 -14.110 1.00 0.00 O ATOM 398 OD2 ASP A 117 0.660 3.676 -16.049 1.00 0.00 O ATOM 0 H ASP A 117 3.023 3.585 -13.289 1.00 0.00 H new ATOM 0 HA ASP A 117 3.147 5.449 -15.360 1.00 0.00 H new ATOM 0 HB2 ASP A 117 0.997 5.129 -13.227 1.00 0.00 H new ATOM 0 HB3 ASP A 117 0.788 5.863 -14.805 1.00 0.00 H new ATOM 403 N TYR A 118 3.033 6.791 -12.341 1.00 0.00 N ATOM 404 CA TYR A 118 3.273 8.022 -11.597 1.00 0.00 C ATOM 405 C TYR A 118 4.743 8.147 -11.209 1.00 0.00 C ATOM 406 O TYR A 118 5.492 7.171 -11.248 1.00 0.00 O ATOM 407 CB TYR A 118 2.398 8.063 -10.343 1.00 0.00 C ATOM 408 CG TYR A 118 0.967 7.639 -10.589 1.00 0.00 C ATOM 409 CD1 TYR A 118 0.002 8.564 -10.963 1.00 0.00 C ATOM 410 CD2 TYR A 118 0.582 6.311 -10.446 1.00 0.00 C ATOM 411 CE1 TYR A 118 -1.306 8.181 -11.188 1.00 0.00 C ATOM 412 CE2 TYR A 118 -0.723 5.918 -10.670 1.00 0.00 C ATOM 413 CZ TYR A 118 -1.664 6.857 -11.040 1.00 0.00 C ATOM 414 OH TYR A 118 -2.966 6.471 -11.264 1.00 0.00 O ATOM 0 H TYR A 118 2.807 5.984 -11.760 1.00 0.00 H new ATOM 0 HA TYR A 118 3.014 8.862 -12.241 1.00 0.00 H new ATOM 0 HB2 TYR A 118 2.835 7.414 -9.584 1.00 0.00 H new ATOM 0 HB3 TYR A 118 2.404 9.075 -9.939 1.00 0.00 H new ATOM 0 HD1 TYR A 118 0.279 9.601 -11.080 1.00 0.00 H new ATOM 0 HD2 TYR A 118 1.316 5.574 -10.155 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -2.044 8.914 -11.478 1.00 0.00 H new ATOM 0 HE2 TYR A 118 -1.005 4.882 -10.556 1.00 0.00 H new ATOM 0 HH TYR A 118 -3.051 5.506 -11.118 1.00 0.00 H new ATOM 424 N ASP A 119 5.148 9.355 -10.835 1.00 0.00 N ATOM 425 CA ASP A 119 6.528 9.610 -10.437 1.00 0.00 C ATOM 426 C ASP A 119 6.706 9.416 -8.935 1.00 0.00 C ATOM 427 O ASP A 119 5.926 9.936 -8.135 1.00 0.00 O ATOM 428 CB ASP A 119 6.942 11.028 -10.834 1.00 0.00 C ATOM 429 CG ASP A 119 7.432 11.109 -12.266 1.00 0.00 C ATOM 430 OD1 ASP A 119 8.608 10.769 -12.511 1.00 0.00 O ATOM 431 OD2 ASP A 119 6.639 11.512 -13.143 1.00 0.00 O ATOM 0 H ASP A 119 4.541 10.174 -10.799 1.00 0.00 H new ATOM 0 HA ASP A 119 7.167 8.895 -10.955 1.00 0.00 H new ATOM 0 HB2 ASP A 119 6.094 11.700 -10.705 1.00 0.00 H new ATOM 0 HB3 ASP A 119 7.729 11.375 -10.164 1.00 0.00 H new ATOM 436 N LEU A 120 7.734 8.665 -8.558 1.00 0.00 N ATOM 437 CA LEU A 120 8.014 8.401 -7.150 1.00 0.00 C ATOM 438 C LEU A 120 9.170 9.263 -6.654 1.00 0.00 C ATOM 439 O LEU A 120 10.243 9.290 -7.258 1.00 0.00 O ATOM 440 CB LEU A 120 8.341 6.921 -6.944 1.00 0.00 C ATOM 441 CG LEU A 120 7.156 5.957 -7.007 1.00 0.00 C ATOM 442 CD1 LEU A 120 6.734 5.724 -8.450 1.00 0.00 C ATOM 443 CD2 LEU A 120 7.505 4.638 -6.332 1.00 0.00 C ATOM 0 H LEU A 120 8.388 8.228 -9.207 1.00 0.00 H new ATOM 0 HA LEU A 120 7.124 8.654 -6.574 1.00 0.00 H new ATOM 0 HB2 LEU A 120 9.068 6.622 -7.699 1.00 0.00 H new ATOM 0 HB3 LEU A 120 8.824 6.808 -5.974 1.00 0.00 H new ATOM 0 HG LEU A 120 6.318 6.405 -6.473 1.00 0.00 H new ATOM 0 HD11 LEU A 120 5.889 5.035 -8.475 1.00 0.00 H new ATOM 0 HD12 LEU A 120 6.443 6.672 -8.902 1.00 0.00 H new ATOM 0 HD13 LEU A 120 7.567 5.297 -9.008 1.00 0.00 H new ATOM 0 HD21 LEU A 120 6.650 3.964 -6.386 1.00 0.00 H new ATOM 0 HD22 LEU A 120 8.357 4.185 -6.838 1.00 0.00 H new ATOM 0 HD23 LEU A 120 7.758 4.820 -5.287 1.00 0.00 H new ATOM 455 N LYS A 121 8.946 9.966 -5.549 1.00 0.00 N ATOM 456 CA LYS A 121 9.970 10.827 -4.968 1.00 0.00 C ATOM 457 C LYS A 121 10.705 10.112 -3.839 1.00 0.00 C ATOM 458 O LYS A 121 11.903 10.316 -3.639 1.00 0.00 O ATOM 459 CB LYS A 121 9.340 12.119 -4.443 1.00 0.00 C ATOM 460 CG LYS A 121 9.156 13.183 -5.511 1.00 0.00 C ATOM 461 CD LYS A 121 8.054 12.808 -6.488 1.00 0.00 C ATOM 462 CE LYS A 121 8.281 13.439 -7.853 1.00 0.00 C ATOM 463 NZ LYS A 121 9.468 12.861 -8.541 1.00 0.00 N ATOM 0 H LYS A 121 8.064 9.956 -5.037 1.00 0.00 H new ATOM 0 HA LYS A 121 10.690 11.072 -5.749 1.00 0.00 H new ATOM 0 HB2 LYS A 121 8.371 11.888 -4.002 1.00 0.00 H new ATOM 0 HB3 LYS A 121 9.965 12.521 -3.646 1.00 0.00 H new ATOM 0 HG2 LYS A 121 8.916 14.136 -5.039 1.00 0.00 H new ATOM 0 HG3 LYS A 121 10.092 13.322 -6.052 1.00 0.00 H new ATOM 0 HD2 LYS A 121 8.010 11.724 -6.590 1.00 0.00 H new ATOM 0 HD3 LYS A 121 7.091 13.130 -6.093 1.00 0.00 H new ATOM 0 HE2 LYS A 121 7.396 13.293 -8.472 1.00 0.00 H new ATOM 0 HE3 LYS A 121 8.416 14.514 -7.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 9.378 13.004 -9.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 10.330 13.332 -8.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 9.526 11.843 -8.337 1.00 0.00 H new ATOM 477 N TYR A 122 9.982 9.273 -3.106 1.00 0.00 N ATOM 478 CA TYR A 122 10.566 8.529 -1.996 1.00 0.00 C ATOM 479 C TYR A 122 9.718 7.308 -1.653 1.00 0.00 C ATOM 480 O TYR A 122 8.489 7.378 -1.629 1.00 0.00 O ATOM 481 CB TYR A 122 10.705 9.430 -0.768 1.00 0.00 C ATOM 482 CG TYR A 122 11.696 8.915 0.252 1.00 0.00 C ATOM 483 CD1 TYR A 122 11.484 7.709 0.908 1.00 0.00 C ATOM 484 CD2 TYR A 122 12.844 9.634 0.558 1.00 0.00 C ATOM 485 CE1 TYR A 122 12.386 7.235 1.841 1.00 0.00 C ATOM 486 CE2 TYR A 122 13.753 9.167 1.488 1.00 0.00 C ATOM 487 CZ TYR A 122 13.519 7.967 2.127 1.00 0.00 C ATOM 488 OH TYR A 122 14.421 7.499 3.055 1.00 0.00 O ATOM 0 H TYR A 122 8.990 9.091 -3.260 1.00 0.00 H new ATOM 0 HA TYR A 122 11.555 8.187 -2.301 1.00 0.00 H new ATOM 0 HB2 TYR A 122 11.012 10.425 -1.091 1.00 0.00 H new ATOM 0 HB3 TYR A 122 9.730 9.536 -0.293 1.00 0.00 H new ATOM 0 HD1 TYR A 122 10.599 7.132 0.685 1.00 0.00 H new ATOM 0 HD2 TYR A 122 13.030 10.574 0.060 1.00 0.00 H new ATOM 0 HE1 TYR A 122 12.205 6.296 2.344 1.00 0.00 H new ATOM 0 HE2 TYR A 122 14.642 9.738 1.713 1.00 0.00 H new ATOM 0 HH TYR A 122 15.164 8.133 3.138 1.00 0.00 H new ATOM 498 N CYS A 123 10.384 6.189 -1.388 1.00 0.00 N ATOM 499 CA CYS A 123 9.695 4.951 -1.045 1.00 0.00 C ATOM 500 C CYS A 123 10.305 4.316 0.201 1.00 0.00 C ATOM 501 O CYS A 123 11.429 3.814 0.168 1.00 0.00 O ATOM 502 CB CYS A 123 9.757 3.968 -2.215 1.00 0.00 C ATOM 503 SG CYS A 123 9.164 2.294 -1.812 1.00 0.00 S ATOM 0 H CYS A 123 11.401 6.114 -1.404 1.00 0.00 H new ATOM 0 HA CYS A 123 8.652 5.190 -0.835 1.00 0.00 H new ATOM 0 HB2 CYS A 123 9.164 4.363 -3.039 1.00 0.00 H new ATOM 0 HB3 CYS A 123 10.787 3.902 -2.566 1.00 0.00 H new ATOM 508 N TYR A 124 9.556 4.341 1.298 1.00 0.00 N ATOM 509 CA TYR A 124 10.024 3.769 2.555 1.00 0.00 C ATOM 510 C TYR A 124 9.122 2.622 3.001 1.00 0.00 C ATOM 511 O TYR A 124 7.957 2.828 3.342 1.00 0.00 O ATOM 512 CB TYR A 124 10.073 4.845 3.641 1.00 0.00 C ATOM 513 CG TYR A 124 10.903 4.454 4.843 1.00 0.00 C ATOM 514 CD1 TYR A 124 12.280 4.297 4.739 1.00 0.00 C ATOM 515 CD2 TYR A 124 10.312 4.241 6.082 1.00 0.00 C ATOM 516 CE1 TYR A 124 13.043 3.940 5.834 1.00 0.00 C ATOM 517 CE2 TYR A 124 11.067 3.885 7.182 1.00 0.00 C ATOM 518 CZ TYR A 124 12.432 3.735 7.053 1.00 0.00 C ATOM 519 OH TYR A 124 13.187 3.379 8.147 1.00 0.00 O ATOM 0 H TYR A 124 8.623 4.751 1.342 1.00 0.00 H new ATOM 0 HA TYR A 124 11.028 3.376 2.395 1.00 0.00 H new ATOM 0 HB2 TYR A 124 10.477 5.763 3.214 1.00 0.00 H new ATOM 0 HB3 TYR A 124 9.057 5.066 3.968 1.00 0.00 H new ATOM 0 HD1 TYR A 124 12.762 4.457 3.786 1.00 0.00 H new ATOM 0 HD2 TYR A 124 9.243 4.356 6.187 1.00 0.00 H new ATOM 0 HE1 TYR A 124 14.112 3.822 5.736 1.00 0.00 H new ATOM 0 HE2 TYR A 124 10.591 3.725 8.138 1.00 0.00 H new ATOM 0 HH TYR A 124 12.603 3.274 8.927 1.00 0.00 H new ATOM 529 N VAL A 125 9.670 1.411 2.995 1.00 0.00 N ATOM 530 CA VAL A 125 8.917 0.229 3.399 1.00 0.00 C ATOM 531 C VAL A 125 9.228 -0.153 4.842 1.00 0.00 C ATOM 532 O VAL A 125 10.391 -0.266 5.228 1.00 0.00 O ATOM 533 CB VAL A 125 9.223 -0.972 2.485 1.00 0.00 C ATOM 534 CG1 VAL A 125 8.462 -2.204 2.949 1.00 0.00 C ATOM 535 CG2 VAL A 125 8.886 -0.640 1.039 1.00 0.00 C ATOM 0 H VAL A 125 10.633 1.222 2.715 1.00 0.00 H new ATOM 0 HA VAL A 125 7.860 0.482 3.312 1.00 0.00 H new ATOM 0 HB VAL A 125 10.289 -1.190 2.545 1.00 0.00 H new ATOM 0 HG11 VAL A 125 8.691 -3.042 2.291 1.00 0.00 H new ATOM 0 HG12 VAL A 125 8.758 -2.452 3.969 1.00 0.00 H new ATOM 0 HG13 VAL A 125 7.391 -2.002 2.921 1.00 0.00 H new ATOM 0 HG21 VAL A 125 9.108 -1.500 0.407 1.00 0.00 H new ATOM 0 HG22 VAL A 125 7.827 -0.395 0.959 1.00 0.00 H new ATOM 0 HG23 VAL A 125 9.481 0.213 0.713 1.00 0.00 H new ATOM 545 N ASP A 126 8.180 -0.350 5.635 1.00 0.00 N ATOM 546 CA ASP A 126 8.340 -0.721 7.036 1.00 0.00 C ATOM 547 C ASP A 126 7.708 -2.082 7.313 1.00 0.00 C ATOM 548 O ASP A 126 6.503 -2.182 7.543 1.00 0.00 O ATOM 549 CB ASP A 126 7.713 0.340 7.941 1.00 0.00 C ATOM 550 CG ASP A 126 8.589 1.569 8.086 1.00 0.00 C ATOM 551 OD1 ASP A 126 9.436 1.588 9.004 1.00 0.00 O ATOM 552 OD2 ASP A 126 8.428 2.511 7.283 1.00 0.00 O ATOM 0 H ASP A 126 7.211 -0.259 5.331 1.00 0.00 H new ATOM 0 HA ASP A 126 9.407 -0.785 7.250 1.00 0.00 H new ATOM 0 HB2 ASP A 126 6.745 0.633 7.535 1.00 0.00 H new ATOM 0 HB3 ASP A 126 7.529 -0.089 8.926 1.00 0.00 H new ATOM 557 N ARG A 127 8.531 -3.126 7.289 1.00 0.00 N ATOM 558 CA ARG A 127 8.052 -4.480 7.536 1.00 0.00 C ATOM 559 C ARG A 127 7.427 -4.592 8.923 1.00 0.00 C ATOM 560 O ARG A 127 6.519 -5.392 9.143 1.00 0.00 O ATOM 561 CB ARG A 127 9.200 -5.482 7.400 1.00 0.00 C ATOM 562 CG ARG A 127 9.758 -5.581 5.989 1.00 0.00 C ATOM 563 CD ARG A 127 10.542 -6.869 5.789 1.00 0.00 C ATOM 564 NE ARG A 127 11.544 -6.741 4.735 1.00 0.00 N ATOM 565 CZ ARG A 127 12.663 -6.037 4.866 1.00 0.00 C ATOM 566 NH1 ARG A 127 12.920 -5.400 6.000 1.00 0.00 N ATOM 567 NH2 ARG A 127 13.526 -5.968 3.861 1.00 0.00 N ATOM 0 H ARG A 127 9.531 -3.060 7.101 1.00 0.00 H new ATOM 0 HA ARG A 127 7.288 -4.709 6.793 1.00 0.00 H new ATOM 0 HB2 ARG A 127 10.003 -5.197 8.080 1.00 0.00 H new ATOM 0 HB3 ARG A 127 8.851 -6.466 7.714 1.00 0.00 H new ATOM 0 HG2 ARG A 127 8.941 -5.536 5.269 1.00 0.00 H new ATOM 0 HG3 ARG A 127 10.404 -4.726 5.791 1.00 0.00 H new ATOM 0 HD2 ARG A 127 11.032 -7.144 6.723 1.00 0.00 H new ATOM 0 HD3 ARG A 127 9.854 -7.677 5.539 1.00 0.00 H new ATOM 0 HE ARG A 127 11.376 -7.218 3.849 1.00 0.00 H new ATOM 0 HH11 ARG A 127 12.258 -5.450 6.774 1.00 0.00 H new ATOM 0 HH12 ARG A 127 13.780 -4.860 6.098 1.00 0.00 H new ATOM 0 HH21 ARG A 127 13.331 -6.456 2.987 1.00 0.00 H new ATOM 0 HH22 ARG A 127 14.385 -5.427 3.963 1.00 0.00 H new ATOM 581 N ASN A 128 7.921 -3.785 9.856 1.00 0.00 N ATOM 582 CA ASN A 128 7.412 -3.794 11.223 1.00 0.00 C ATOM 583 C ASN A 128 5.932 -3.427 11.254 1.00 0.00 C ATOM 584 O ASN A 128 5.175 -3.925 12.087 1.00 0.00 O ATOM 585 CB ASN A 128 8.209 -2.819 12.092 1.00 0.00 C ATOM 586 CG ASN A 128 7.842 -2.921 13.560 1.00 0.00 C ATOM 587 OD1 ASN A 128 6.888 -3.607 13.927 1.00 0.00 O ATOM 588 ND2 ASN A 128 8.602 -2.238 14.409 1.00 0.00 N ATOM 0 H ASN A 128 8.673 -3.116 9.691 1.00 0.00 H new ATOM 0 HA ASN A 128 7.527 -4.802 11.621 1.00 0.00 H new ATOM 0 HB2 ASN A 128 9.274 -3.017 11.972 1.00 0.00 H new ATOM 0 HB3 ASN A 128 8.033 -1.800 11.746 1.00 0.00 H new ATOM 0 HD21 ASN A 128 8.404 -2.270 15.409 1.00 0.00 H new ATOM 0 HD22 ASN A 128 9.383 -1.682 14.061 1.00 0.00 H new ATOM 595 N LYS A 129 5.525 -2.553 10.340 1.00 0.00 N ATOM 596 CA LYS A 129 4.135 -2.119 10.260 1.00 0.00 C ATOM 597 C LYS A 129 3.531 -2.474 8.905 1.00 0.00 C ATOM 598 O LYS A 129 2.472 -1.968 8.536 1.00 0.00 O ATOM 599 CB LYS A 129 4.035 -0.610 10.496 1.00 0.00 C ATOM 600 CG LYS A 129 4.007 -0.225 11.965 1.00 0.00 C ATOM 601 CD LYS A 129 3.270 1.086 12.183 1.00 0.00 C ATOM 602 CE LYS A 129 3.081 1.380 13.663 1.00 0.00 C ATOM 603 NZ LYS A 129 1.879 0.695 14.215 1.00 0.00 N ATOM 0 H LYS A 129 6.139 -2.131 9.643 1.00 0.00 H new ATOM 0 HA LYS A 129 3.573 -2.639 11.036 1.00 0.00 H new ATOM 0 HB2 LYS A 129 4.882 -0.119 10.016 1.00 0.00 H new ATOM 0 HB3 LYS A 129 3.133 -0.234 10.013 1.00 0.00 H new ATOM 0 HG2 LYS A 129 3.524 -1.015 12.540 1.00 0.00 H new ATOM 0 HG3 LYS A 129 5.027 -0.137 12.339 1.00 0.00 H new ATOM 0 HD2 LYS A 129 3.827 1.899 11.718 1.00 0.00 H new ATOM 0 HD3 LYS A 129 2.298 1.044 11.692 1.00 0.00 H new ATOM 0 HE2 LYS A 129 3.966 1.060 14.213 1.00 0.00 H new ATOM 0 HE3 LYS A 129 2.986 2.456 13.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 1.785 0.920 15.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 1.031 1.019 13.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 1.981 -0.333 14.098 1.00 0.00 H new ATOM 617 N ARG A 130 4.212 -3.347 8.170 1.00 0.00 N ATOM 618 CA ARG A 130 3.742 -3.770 6.856 1.00 0.00 C ATOM 619 C ARG A 130 3.102 -2.604 6.107 1.00 0.00 C ATOM 620 O ARG A 130 1.980 -2.712 5.610 1.00 0.00 O ATOM 621 CB ARG A 130 2.738 -4.915 6.994 1.00 0.00 C ATOM 622 CG ARG A 130 3.277 -6.108 7.765 1.00 0.00 C ATOM 623 CD ARG A 130 4.600 -6.591 7.192 1.00 0.00 C ATOM 624 NE ARG A 130 5.062 -7.817 7.837 1.00 0.00 N ATOM 625 CZ ARG A 130 6.223 -8.400 7.561 1.00 0.00 C ATOM 626 NH1 ARG A 130 7.036 -7.871 6.658 1.00 0.00 N ATOM 627 NH2 ARG A 130 6.573 -9.515 8.190 1.00 0.00 N ATOM 0 H ARG A 130 5.091 -3.775 8.462 1.00 0.00 H new ATOM 0 HA ARG A 130 4.602 -4.118 6.284 1.00 0.00 H new ATOM 0 HB2 ARG A 130 1.843 -4.544 7.494 1.00 0.00 H new ATOM 0 HB3 ARG A 130 2.435 -5.243 6.000 1.00 0.00 H new ATOM 0 HG2 ARG A 130 3.411 -5.836 8.812 1.00 0.00 H new ATOM 0 HG3 ARG A 130 2.550 -6.919 7.737 1.00 0.00 H new ATOM 0 HD2 ARG A 130 4.489 -6.764 6.122 1.00 0.00 H new ATOM 0 HD3 ARG A 130 5.353 -5.812 7.313 1.00 0.00 H new ATOM 0 HE ARG A 130 4.460 -8.249 8.538 1.00 0.00 H new ATOM 0 HH11 ARG A 130 6.771 -7.014 6.173 1.00 0.00 H new ATOM 0 HH12 ARG A 130 7.927 -8.321 6.448 1.00 0.00 H new ATOM 0 HH21 ARG A 130 5.950 -9.925 8.886 1.00 0.00 H new ATOM 0 HH22 ARG A 130 7.465 -9.962 7.977 1.00 0.00 H new ATOM 641 N THR A 131 3.822 -1.489 6.031 1.00 0.00 N ATOM 642 CA THR A 131 3.324 -0.304 5.345 1.00 0.00 C ATOM 643 C THR A 131 4.450 0.428 4.624 1.00 0.00 C ATOM 644 O THR A 131 5.563 0.536 5.140 1.00 0.00 O ATOM 645 CB THR A 131 2.641 0.667 6.326 1.00 0.00 C ATOM 646 OG1 THR A 131 1.487 0.048 6.905 1.00 0.00 O ATOM 647 CG2 THR A 131 2.232 1.951 5.620 1.00 0.00 C ATOM 0 H THR A 131 4.752 -1.382 6.436 1.00 0.00 H new ATOM 0 HA THR A 131 2.591 -0.646 4.614 1.00 0.00 H new ATOM 0 HB THR A 131 3.354 0.914 7.113 1.00 0.00 H new ATOM 0 HG1 THR A 131 1.768 -0.691 7.484 1.00 0.00 H new ATOM 0 HG21 THR A 131 1.752 2.621 6.333 1.00 0.00 H new ATOM 0 HG22 THR A 131 3.116 2.436 5.205 1.00 0.00 H new ATOM 0 HG23 THR A 131 1.535 1.718 4.815 1.00 0.00 H new ATOM 655 N ALA A 132 4.154 0.931 3.430 1.00 0.00 N ATOM 656 CA ALA A 132 5.142 1.656 2.640 1.00 0.00 C ATOM 657 C ALA A 132 4.629 3.039 2.254 1.00 0.00 C ATOM 658 O ALA A 132 3.508 3.181 1.764 1.00 0.00 O ATOM 659 CB ALA A 132 5.510 0.860 1.396 1.00 0.00 C ATOM 0 H ALA A 132 3.238 0.850 2.989 1.00 0.00 H new ATOM 0 HA ALA A 132 6.035 1.787 3.251 1.00 0.00 H new ATOM 0 HB1 ALA A 132 6.248 1.413 0.815 1.00 0.00 H new ATOM 0 HB2 ALA A 132 5.927 -0.103 1.690 1.00 0.00 H new ATOM 0 HB3 ALA A 132 4.618 0.699 0.790 1.00 0.00 H new ATOM 665 N PHE A 133 5.455 4.055 2.478 1.00 0.00 N ATOM 666 CA PHE A 133 5.083 5.428 2.154 1.00 0.00 C ATOM 667 C PHE A 133 5.643 5.837 0.795 1.00 0.00 C ATOM 668 O PHE A 133 6.852 5.783 0.568 1.00 0.00 O ATOM 669 CB PHE A 133 5.589 6.384 3.236 1.00 0.00 C ATOM 670 CG PHE A 133 5.271 5.931 4.633 1.00 0.00 C ATOM 671 CD1 PHE A 133 6.005 4.920 5.231 1.00 0.00 C ATOM 672 CD2 PHE A 133 4.239 6.518 5.347 1.00 0.00 C ATOM 673 CE1 PHE A 133 5.714 4.501 6.516 1.00 0.00 C ATOM 674 CE2 PHE A 133 3.944 6.104 6.633 1.00 0.00 C ATOM 675 CZ PHE A 133 4.683 5.095 7.218 1.00 0.00 C ATOM 0 H PHE A 133 6.386 3.954 2.882 1.00 0.00 H new ATOM 0 HA PHE A 133 3.995 5.483 2.110 1.00 0.00 H new ATOM 0 HB2 PHE A 133 6.669 6.495 3.136 1.00 0.00 H new ATOM 0 HB3 PHE A 133 5.151 7.369 3.073 1.00 0.00 H new ATOM 0 HD1 PHE A 133 6.814 4.454 4.688 1.00 0.00 H new ATOM 0 HD2 PHE A 133 3.658 7.308 4.894 1.00 0.00 H new ATOM 0 HE1 PHE A 133 6.292 3.710 6.971 1.00 0.00 H new ATOM 0 HE2 PHE A 133 3.137 6.569 7.179 1.00 0.00 H new ATOM 0 HZ PHE A 133 4.455 4.771 8.223 1.00 0.00 H new ATOM 685 N VAL A 134 4.755 6.246 -0.105 1.00 0.00 N ATOM 686 CA VAL A 134 5.159 6.665 -1.442 1.00 0.00 C ATOM 687 C VAL A 134 4.809 8.128 -1.689 1.00 0.00 C ATOM 688 O VAL A 134 3.654 8.533 -1.555 1.00 0.00 O ATOM 689 CB VAL A 134 4.493 5.799 -2.527 1.00 0.00 C ATOM 690 CG1 VAL A 134 4.732 6.393 -3.907 1.00 0.00 C ATOM 691 CG2 VAL A 134 5.007 4.369 -2.458 1.00 0.00 C ATOM 0 H VAL A 134 3.751 6.296 0.067 1.00 0.00 H new ATOM 0 HA VAL A 134 6.240 6.538 -1.500 1.00 0.00 H new ATOM 0 HB VAL A 134 3.418 5.784 -2.345 1.00 0.00 H new ATOM 0 HG11 VAL A 134 4.254 5.767 -4.660 1.00 0.00 H new ATOM 0 HG12 VAL A 134 4.310 7.397 -3.949 1.00 0.00 H new ATOM 0 HG13 VAL A 134 5.803 6.441 -4.102 1.00 0.00 H new ATOM 0 HG21 VAL A 134 4.525 3.772 -3.232 1.00 0.00 H new ATOM 0 HG22 VAL A 134 6.086 4.362 -2.613 1.00 0.00 H new ATOM 0 HG23 VAL A 134 4.779 3.947 -1.479 1.00 0.00 H new ATOM 701 N THR A 135 5.814 8.919 -2.051 1.00 0.00 N ATOM 702 CA THR A 135 5.613 10.338 -2.316 1.00 0.00 C ATOM 703 C THR A 135 5.552 10.614 -3.814 1.00 0.00 C ATOM 704 O THR A 135 6.583 10.696 -4.483 1.00 0.00 O ATOM 705 CB THR A 135 6.736 11.190 -1.694 1.00 0.00 C ATOM 706 OG1 THR A 135 6.759 11.008 -0.274 1.00 0.00 O ATOM 707 CG2 THR A 135 6.539 12.663 -2.018 1.00 0.00 C ATOM 0 H THR A 135 6.776 8.601 -2.167 1.00 0.00 H new ATOM 0 HA THR A 135 4.662 10.613 -1.859 1.00 0.00 H new ATOM 0 HB THR A 135 7.686 10.865 -2.117 1.00 0.00 H new ATOM 0 HG1 THR A 135 7.476 11.551 0.114 1.00 0.00 H new ATOM 0 HG21 THR A 135 7.344 13.245 -1.569 1.00 0.00 H new ATOM 0 HG22 THR A 135 6.550 12.802 -3.099 1.00 0.00 H new ATOM 0 HG23 THR A 135 5.582 12.998 -1.619 1.00 0.00 H new ATOM 715 N LEU A 136 4.338 10.757 -4.335 1.00 0.00 N ATOM 716 CA LEU A 136 4.142 11.025 -5.756 1.00 0.00 C ATOM 717 C LEU A 136 4.582 12.443 -6.108 1.00 0.00 C ATOM 718 O LEU A 136 4.995 13.210 -5.238 1.00 0.00 O ATOM 719 CB LEU A 136 2.674 10.826 -6.135 1.00 0.00 C ATOM 720 CG LEU A 136 2.121 9.411 -5.958 1.00 0.00 C ATOM 721 CD1 LEU A 136 0.760 9.283 -6.623 1.00 0.00 C ATOM 722 CD2 LEU A 136 3.092 8.385 -6.525 1.00 0.00 C ATOM 0 H LEU A 136 3.475 10.692 -3.795 1.00 0.00 H new ATOM 0 HA LEU A 136 4.755 10.323 -6.321 1.00 0.00 H new ATOM 0 HB2 LEU A 136 2.069 11.508 -5.537 1.00 0.00 H new ATOM 0 HB3 LEU A 136 2.546 11.117 -7.178 1.00 0.00 H new ATOM 0 HG LEU A 136 2.001 9.219 -4.892 1.00 0.00 H new ATOM 0 HD11 LEU A 136 0.382 8.270 -6.487 1.00 0.00 H new ATOM 0 HD12 LEU A 136 0.066 9.993 -6.172 1.00 0.00 H new ATOM 0 HD13 LEU A 136 0.854 9.495 -7.688 1.00 0.00 H new ATOM 0 HD21 LEU A 136 2.683 7.384 -6.391 1.00 0.00 H new ATOM 0 HD22 LEU A 136 3.243 8.576 -7.587 1.00 0.00 H new ATOM 0 HD23 LEU A 136 4.046 8.460 -6.003 1.00 0.00 H new ATOM 734 N LEU A 137 4.489 12.784 -7.388 1.00 0.00 N ATOM 735 CA LEU A 137 4.875 14.111 -7.856 1.00 0.00 C ATOM 736 C LEU A 137 3.900 15.171 -7.354 1.00 0.00 C ATOM 737 O LEU A 137 4.267 16.045 -6.570 1.00 0.00 O ATOM 738 CB LEU A 137 4.932 14.138 -9.385 1.00 0.00 C ATOM 739 CG LEU A 137 5.062 15.519 -10.027 1.00 0.00 C ATOM 740 CD1 LEU A 137 6.462 16.074 -9.821 1.00 0.00 C ATOM 741 CD2 LEU A 137 4.726 15.451 -11.510 1.00 0.00 C ATOM 0 H LEU A 137 4.150 12.161 -8.121 1.00 0.00 H new ATOM 0 HA LEU A 137 5.864 14.336 -7.457 1.00 0.00 H new ATOM 0 HB2 LEU A 137 5.776 13.528 -9.708 1.00 0.00 H new ATOM 0 HB3 LEU A 137 4.030 13.663 -9.771 1.00 0.00 H new ATOM 0 HG LEU A 137 4.353 16.191 -9.544 1.00 0.00 H new ATOM 0 HD11 LEU A 137 6.535 17.058 -10.285 1.00 0.00 H new ATOM 0 HD12 LEU A 137 6.666 16.160 -8.754 1.00 0.00 H new ATOM 0 HD13 LEU A 137 7.190 15.403 -10.276 1.00 0.00 H new ATOM 0 HD21 LEU A 137 4.824 16.443 -11.951 1.00 0.00 H new ATOM 0 HD22 LEU A 137 5.411 14.764 -12.007 1.00 0.00 H new ATOM 0 HD23 LEU A 137 3.703 15.097 -11.635 1.00 0.00 H new ATOM 753 N ASN A 138 2.654 15.085 -7.809 1.00 0.00 N ATOM 754 CA ASN A 138 1.625 16.036 -7.404 1.00 0.00 C ATOM 755 C ASN A 138 0.500 15.332 -6.651 1.00 0.00 C ATOM 756 O ASN A 138 0.445 14.104 -6.602 1.00 0.00 O ATOM 757 CB ASN A 138 1.060 16.759 -8.628 1.00 0.00 C ATOM 758 CG ASN A 138 1.835 18.018 -8.965 1.00 0.00 C ATOM 759 OD1 ASN A 138 1.979 18.913 -8.132 1.00 0.00 O ATOM 760 ND2 ASN A 138 2.339 18.092 -10.192 1.00 0.00 N ATOM 0 H ASN A 138 2.333 14.367 -8.458 1.00 0.00 H new ATOM 0 HA ASN A 138 2.083 16.767 -6.737 1.00 0.00 H new ATOM 0 HB2 ASN A 138 1.077 16.085 -9.485 1.00 0.00 H new ATOM 0 HB3 ASN A 138 0.017 17.016 -8.445 1.00 0.00 H new ATOM 0 HD21 ASN A 138 2.870 18.915 -10.476 1.00 0.00 H new ATOM 0 HD22 ASN A 138 2.195 17.326 -10.850 1.00 0.00 H new ATOM 767 N GLY A 139 -0.396 16.120 -6.065 1.00 0.00 N ATOM 768 CA GLY A 139 -1.508 15.555 -5.323 1.00 0.00 C ATOM 769 C GLY A 139 -2.573 14.970 -6.230 1.00 0.00 C ATOM 770 O GLY A 139 -2.997 13.830 -6.043 1.00 0.00 O ATOM 0 H GLY A 139 -0.372 17.139 -6.091 1.00 0.00 H new ATOM 0 HA2 GLY A 139 -1.137 14.778 -4.655 1.00 0.00 H new ATOM 0 HA3 GLY A 139 -1.953 16.328 -4.697 1.00 0.00 H new ATOM 774 N GLU A 140 -3.007 15.754 -7.212 1.00 0.00 N ATOM 775 CA GLU A 140 -4.031 15.306 -8.149 1.00 0.00 C ATOM 776 C GLU A 140 -3.777 13.867 -8.586 1.00 0.00 C ATOM 777 O GLU A 140 -4.709 13.074 -8.717 1.00 0.00 O ATOM 778 CB GLU A 140 -4.070 16.223 -9.373 1.00 0.00 C ATOM 779 CG GLU A 140 -4.974 17.432 -9.199 1.00 0.00 C ATOM 780 CD GLU A 140 -4.803 18.453 -10.307 1.00 0.00 C ATOM 781 OE1 GLU A 140 -3.903 19.311 -10.190 1.00 0.00 O ATOM 782 OE2 GLU A 140 -5.568 18.393 -11.292 1.00 0.00 O ATOM 0 H GLU A 140 -2.666 16.701 -7.379 1.00 0.00 H new ATOM 0 HA GLU A 140 -4.995 15.348 -7.641 1.00 0.00 H new ATOM 0 HB2 GLU A 140 -3.059 16.565 -9.593 1.00 0.00 H new ATOM 0 HB3 GLU A 140 -4.407 15.649 -10.236 1.00 0.00 H new ATOM 0 HG2 GLU A 140 -6.013 17.103 -9.170 1.00 0.00 H new ATOM 0 HG3 GLU A 140 -4.763 17.904 -8.239 1.00 0.00 H new ATOM 789 N GLN A 141 -2.509 13.538 -8.812 1.00 0.00 N ATOM 790 CA GLN A 141 -2.132 12.195 -9.236 1.00 0.00 C ATOM 791 C GLN A 141 -2.526 11.162 -8.185 1.00 0.00 C ATOM 792 O GLN A 141 -3.118 10.131 -8.505 1.00 0.00 O ATOM 793 CB GLN A 141 -0.627 12.124 -9.499 1.00 0.00 C ATOM 794 CG GLN A 141 -0.222 12.660 -10.863 1.00 0.00 C ATOM 795 CD GLN A 141 1.132 12.147 -11.312 1.00 0.00 C ATOM 796 OE1 GLN A 141 1.286 11.672 -12.438 1.00 0.00 O ATOM 797 NE2 GLN A 141 2.123 12.242 -10.434 1.00 0.00 N ATOM 0 H GLN A 141 -1.726 14.183 -8.709 1.00 0.00 H new ATOM 0 HA GLN A 141 -2.666 11.969 -10.159 1.00 0.00 H new ATOM 0 HB2 GLN A 141 -0.105 12.688 -8.726 1.00 0.00 H new ATOM 0 HB3 GLN A 141 -0.300 11.088 -9.413 1.00 0.00 H new ATOM 0 HG2 GLN A 141 -0.975 12.378 -11.598 1.00 0.00 H new ATOM 0 HG3 GLN A 141 -0.201 13.749 -10.830 1.00 0.00 H new ATOM 0 HE21 GLN A 141 1.951 12.642 -9.512 1.00 0.00 H new ATOM 0 HE22 GLN A 141 3.057 11.915 -10.681 1.00 0.00 H new ATOM 806 N ALA A 142 -2.193 11.445 -6.930 1.00 0.00 N ATOM 807 CA ALA A 142 -2.513 10.541 -5.832 1.00 0.00 C ATOM 808 C ALA A 142 -4.021 10.375 -5.680 1.00 0.00 C ATOM 809 O ALA A 142 -4.527 9.255 -5.605 1.00 0.00 O ATOM 810 CB ALA A 142 -1.903 11.049 -4.535 1.00 0.00 C ATOM 0 H ALA A 142 -1.702 12.293 -6.648 1.00 0.00 H new ATOM 0 HA ALA A 142 -2.087 9.564 -6.062 1.00 0.00 H new ATOM 0 HB1 ALA A 142 -2.150 10.364 -3.724 1.00 0.00 H new ATOM 0 HB2 ALA A 142 -0.820 11.110 -4.642 1.00 0.00 H new ATOM 0 HB3 ALA A 142 -2.301 12.038 -4.309 1.00 0.00 H new ATOM 816 N GLN A 143 -4.734 11.496 -5.635 1.00 0.00 N ATOM 817 CA GLN A 143 -6.185 11.473 -5.490 1.00 0.00 C ATOM 818 C GLN A 143 -6.791 10.309 -6.267 1.00 0.00 C ATOM 819 O GLN A 143 -7.681 9.618 -5.773 1.00 0.00 O ATOM 820 CB GLN A 143 -6.787 12.793 -5.973 1.00 0.00 C ATOM 821 CG GLN A 143 -6.483 13.971 -5.061 1.00 0.00 C ATOM 822 CD GLN A 143 -7.268 13.924 -3.765 1.00 0.00 C ATOM 823 OE1 GLN A 143 -8.411 14.378 -3.701 1.00 0.00 O ATOM 824 NE2 GLN A 143 -6.658 13.372 -2.723 1.00 0.00 N ATOM 0 H GLN A 143 -4.331 12.431 -5.697 1.00 0.00 H new ATOM 0 HA GLN A 143 -6.418 11.341 -4.433 1.00 0.00 H new ATOM 0 HB2 GLN A 143 -6.409 13.011 -6.972 1.00 0.00 H new ATOM 0 HB3 GLN A 143 -7.868 12.680 -6.058 1.00 0.00 H new ATOM 0 HG2 GLN A 143 -5.417 13.985 -4.835 1.00 0.00 H new ATOM 0 HG3 GLN A 143 -6.710 14.899 -5.585 1.00 0.00 H new ATOM 0 HE21 GLN A 143 -5.710 13.008 -2.821 1.00 0.00 H new ATOM 0 HE22 GLN A 143 -7.137 13.312 -1.825 1.00 0.00 H new ATOM 833 N ASN A 144 -6.303 10.099 -7.485 1.00 0.00 N ATOM 834 CA ASN A 144 -6.798 9.019 -8.331 1.00 0.00 C ATOM 835 C ASN A 144 -6.015 7.733 -8.085 1.00 0.00 C ATOM 836 O ASN A 144 -6.597 6.675 -7.846 1.00 0.00 O ATOM 837 CB ASN A 144 -6.702 9.414 -9.806 1.00 0.00 C ATOM 838 CG ASN A 144 -7.758 10.428 -10.203 1.00 0.00 C ATOM 839 OD1 ASN A 144 -8.917 10.079 -10.425 1.00 0.00 O ATOM 840 ND2 ASN A 144 -7.359 11.691 -10.294 1.00 0.00 N ATOM 0 H ASN A 144 -5.565 10.662 -7.908 1.00 0.00 H new ATOM 0 HA ASN A 144 -7.843 8.841 -8.077 1.00 0.00 H new ATOM 0 HB2 ASN A 144 -5.713 9.827 -10.005 1.00 0.00 H new ATOM 0 HB3 ASN A 144 -6.806 8.523 -10.425 1.00 0.00 H new ATOM 0 HD21 ASN A 144 -8.024 12.418 -10.557 1.00 0.00 H new ATOM 0 HD22 ASN A 144 -6.387 11.934 -10.101 1.00 0.00 H new ATOM 847 N ALA A 145 -4.691 7.833 -8.145 1.00 0.00 N ATOM 848 CA ALA A 145 -3.827 6.679 -7.926 1.00 0.00 C ATOM 849 C ALA A 145 -4.252 5.903 -6.684 1.00 0.00 C ATOM 850 O ALA A 145 -3.910 4.731 -6.526 1.00 0.00 O ATOM 851 CB ALA A 145 -2.376 7.121 -7.804 1.00 0.00 C ATOM 0 H ALA A 145 -4.193 8.701 -8.343 1.00 0.00 H new ATOM 0 HA ALA A 145 -3.922 6.017 -8.786 1.00 0.00 H new ATOM 0 HB1 ALA A 145 -1.743 6.249 -7.641 1.00 0.00 H new ATOM 0 HB2 ALA A 145 -2.071 7.625 -8.721 1.00 0.00 H new ATOM 0 HB3 ALA A 145 -2.274 7.806 -6.963 1.00 0.00 H new ATOM 857 N ILE A 146 -4.998 6.564 -5.805 1.00 0.00 N ATOM 858 CA ILE A 146 -5.469 5.935 -4.577 1.00 0.00 C ATOM 859 C ILE A 146 -6.740 5.131 -4.824 1.00 0.00 C ATOM 860 O ILE A 146 -6.786 3.929 -4.565 1.00 0.00 O ATOM 861 CB ILE A 146 -5.741 6.980 -3.478 1.00 0.00 C ATOM 862 CG1 ILE A 146 -4.460 7.747 -3.145 1.00 0.00 C ATOM 863 CG2 ILE A 146 -6.300 6.306 -2.234 1.00 0.00 C ATOM 864 CD1 ILE A 146 -4.710 9.153 -2.645 1.00 0.00 C ATOM 0 H ILE A 146 -5.289 7.535 -5.920 1.00 0.00 H new ATOM 0 HA ILE A 146 -4.678 5.265 -4.242 1.00 0.00 H new ATOM 0 HB ILE A 146 -6.481 7.690 -3.847 1.00 0.00 H new ATOM 0 HG12 ILE A 146 -3.902 7.195 -2.389 1.00 0.00 H new ATOM 0 HG13 ILE A 146 -3.832 7.793 -4.035 1.00 0.00 H new ATOM 0 HG21 ILE A 146 -6.487 7.057 -1.466 1.00 0.00 H new ATOM 0 HG22 ILE A 146 -7.233 5.800 -2.482 1.00 0.00 H new ATOM 0 HG23 ILE A 146 -5.581 5.577 -1.861 1.00 0.00 H new ATOM 0 HD11 ILE A 146 -3.758 9.637 -2.429 1.00 0.00 H new ATOM 0 HD12 ILE A 146 -5.241 9.722 -3.408 1.00 0.00 H new ATOM 0 HD13 ILE A 146 -5.312 9.115 -1.737 1.00 0.00 H new ATOM 876 N GLN A 147 -7.770 5.802 -5.329 1.00 0.00 N ATOM 877 CA GLN A 147 -9.042 5.149 -5.613 1.00 0.00 C ATOM 878 C GLN A 147 -8.876 4.075 -6.682 1.00 0.00 C ATOM 879 O GLN A 147 -9.609 3.086 -6.702 1.00 0.00 O ATOM 880 CB GLN A 147 -10.079 6.179 -6.065 1.00 0.00 C ATOM 881 CG GLN A 147 -11.505 5.815 -5.683 1.00 0.00 C ATOM 882 CD GLN A 147 -12.213 5.019 -6.763 1.00 0.00 C ATOM 883 OE1 GLN A 147 -11.835 3.887 -7.064 1.00 0.00 O ATOM 884 NE2 GLN A 147 -13.246 5.609 -7.351 1.00 0.00 N ATOM 0 H GLN A 147 -7.748 6.798 -5.550 1.00 0.00 H new ATOM 0 HA GLN A 147 -9.389 4.673 -4.696 1.00 0.00 H new ATOM 0 HB2 GLN A 147 -9.831 7.147 -5.630 1.00 0.00 H new ATOM 0 HB3 GLN A 147 -10.019 6.292 -7.148 1.00 0.00 H new ATOM 0 HG2 GLN A 147 -11.493 5.237 -4.759 1.00 0.00 H new ATOM 0 HG3 GLN A 147 -12.067 6.727 -5.481 1.00 0.00 H new ATOM 0 HE21 GLN A 147 -13.524 6.549 -7.069 1.00 0.00 H new ATOM 0 HE22 GLN A 147 -13.762 5.122 -8.084 1.00 0.00 H new ATOM 893 N MET A 148 -7.908 4.276 -7.571 1.00 0.00 N ATOM 894 CA MET A 148 -7.646 3.323 -8.643 1.00 0.00 C ATOM 895 C MET A 148 -6.930 2.086 -8.109 1.00 0.00 C ATOM 896 O MET A 148 -7.405 0.963 -8.272 1.00 0.00 O ATOM 897 CB MET A 148 -6.806 3.977 -9.742 1.00 0.00 C ATOM 898 CG MET A 148 -7.636 4.694 -10.795 1.00 0.00 C ATOM 899 SD MET A 148 -8.152 3.602 -12.134 1.00 0.00 S ATOM 900 CE MET A 148 -9.770 3.098 -11.555 1.00 0.00 C ATOM 0 H MET A 148 -7.293 5.090 -7.570 1.00 0.00 H new ATOM 0 HA MET A 148 -8.604 3.014 -9.062 1.00 0.00 H new ATOM 0 HB2 MET A 148 -6.118 4.689 -9.287 1.00 0.00 H new ATOM 0 HB3 MET A 148 -6.199 3.213 -10.228 1.00 0.00 H new ATOM 0 HG2 MET A 148 -8.518 5.127 -10.324 1.00 0.00 H new ATOM 0 HG3 MET A 148 -7.057 5.520 -11.208 1.00 0.00 H new ATOM 0 HE1 MET A 148 -10.410 2.877 -12.409 1.00 0.00 H new ATOM 0 HE2 MET A 148 -9.673 2.207 -10.934 1.00 0.00 H new ATOM 0 HE3 MET A 148 -10.213 3.902 -10.968 1.00 0.00 H new ATOM 910 N PHE A 149 -5.784 2.301 -7.470 1.00 0.00 N ATOM 911 CA PHE A 149 -5.002 1.204 -6.913 1.00 0.00 C ATOM 912 C PHE A 149 -5.746 0.537 -5.759 1.00 0.00 C ATOM 913 O PHE A 149 -5.887 -0.686 -5.721 1.00 0.00 O ATOM 914 CB PHE A 149 -3.642 1.712 -6.431 1.00 0.00 C ATOM 915 CG PHE A 149 -2.675 1.987 -7.548 1.00 0.00 C ATOM 916 CD1 PHE A 149 -3.068 2.717 -8.657 1.00 0.00 C ATOM 917 CD2 PHE A 149 -1.374 1.514 -7.487 1.00 0.00 C ATOM 918 CE1 PHE A 149 -2.181 2.972 -9.686 1.00 0.00 C ATOM 919 CE2 PHE A 149 -0.483 1.766 -8.513 1.00 0.00 C ATOM 920 CZ PHE A 149 -0.887 2.495 -9.614 1.00 0.00 C ATOM 0 H PHE A 149 -5.377 3.225 -7.325 1.00 0.00 H new ATOM 0 HA PHE A 149 -4.848 0.465 -7.699 1.00 0.00 H new ATOM 0 HB2 PHE A 149 -3.788 2.625 -5.854 1.00 0.00 H new ATOM 0 HB3 PHE A 149 -3.206 0.975 -5.757 1.00 0.00 H new ATOM 0 HD1 PHE A 149 -4.079 3.091 -8.719 1.00 0.00 H new ATOM 0 HD2 PHE A 149 -1.053 0.942 -6.629 1.00 0.00 H new ATOM 0 HE1 PHE A 149 -2.500 3.544 -10.545 1.00 0.00 H new ATOM 0 HE2 PHE A 149 0.529 1.393 -8.454 1.00 0.00 H new ATOM 0 HZ PHE A 149 -0.192 2.692 -10.417 1.00 0.00 H new ATOM 930 N HIS A 150 -6.219 1.349 -4.820 1.00 0.00 N ATOM 931 CA HIS A 150 -6.949 0.839 -3.664 1.00 0.00 C ATOM 932 C HIS A 150 -7.777 -0.385 -4.042 1.00 0.00 C ATOM 933 O HIS A 150 -8.498 -0.374 -5.039 1.00 0.00 O ATOM 934 CB HIS A 150 -7.858 1.925 -3.088 1.00 0.00 C ATOM 935 CG HIS A 150 -8.671 1.467 -1.917 1.00 0.00 C ATOM 936 ND1 HIS A 150 -8.172 0.642 -0.931 1.00 0.00 N ATOM 937 CD2 HIS A 150 -9.955 1.724 -1.576 1.00 0.00 C ATOM 938 CE1 HIS A 150 -9.115 0.410 -0.035 1.00 0.00 C ATOM 939 NE2 HIS A 150 -10.207 1.056 -0.403 1.00 0.00 N ATOM 0 H HIS A 150 -6.110 2.363 -4.836 1.00 0.00 H new ATOM 0 HA HIS A 150 -6.222 0.545 -2.907 1.00 0.00 H new ATOM 0 HB2 HIS A 150 -7.247 2.776 -2.785 1.00 0.00 H new ATOM 0 HB3 HIS A 150 -8.530 2.278 -3.871 1.00 0.00 H new ATOM 0 HD2 HIS A 150 -10.652 2.340 -2.125 1.00 0.00 H new ATOM 0 HE1 HIS A 150 -9.011 -0.203 0.848 1.00 0.00 H new ATOM 0 HE2 HIS A 150 -11.093 1.058 0.102 1.00 0.00 H new ATOM 948 N GLN A 151 -7.667 -1.439 -3.239 1.00 0.00 N ATOM 949 CA GLN A 151 -8.404 -2.671 -3.491 1.00 0.00 C ATOM 950 C GLN A 151 -7.870 -3.382 -4.730 1.00 0.00 C ATOM 951 O GLN A 151 -8.634 -3.955 -5.507 1.00 0.00 O ATOM 952 CB GLN A 151 -9.895 -2.372 -3.663 1.00 0.00 C ATOM 953 CG GLN A 151 -10.467 -1.484 -2.569 1.00 0.00 C ATOM 954 CD GLN A 151 -10.890 -2.268 -1.343 1.00 0.00 C ATOM 955 OE1 GLN A 151 -10.053 -2.738 -0.573 1.00 0.00 O ATOM 956 NE2 GLN A 151 -12.197 -2.413 -1.154 1.00 0.00 N ATOM 0 H GLN A 151 -7.075 -1.464 -2.409 1.00 0.00 H new ATOM 0 HA GLN A 151 -8.269 -3.328 -2.632 1.00 0.00 H new ATOM 0 HB2 GLN A 151 -10.052 -1.891 -4.629 1.00 0.00 H new ATOM 0 HB3 GLN A 151 -10.446 -3.312 -3.682 1.00 0.00 H new ATOM 0 HG2 GLN A 151 -9.722 -0.742 -2.282 1.00 0.00 H new ATOM 0 HG3 GLN A 151 -11.325 -0.939 -2.961 1.00 0.00 H new ATOM 0 HE21 GLN A 151 -12.856 -2.007 -1.818 1.00 0.00 H new ATOM 0 HE22 GLN A 151 -12.541 -2.931 -0.345 1.00 0.00 H new ATOM 965 N TYR A 152 -6.555 -3.340 -4.909 1.00 0.00 N ATOM 966 CA TYR A 152 -5.919 -3.977 -6.056 1.00 0.00 C ATOM 967 C TYR A 152 -5.453 -5.387 -5.706 1.00 0.00 C ATOM 968 O TYR A 152 -5.023 -5.650 -4.584 1.00 0.00 O ATOM 969 CB TYR A 152 -4.732 -3.141 -6.537 1.00 0.00 C ATOM 970 CG TYR A 152 -3.761 -3.910 -7.405 1.00 0.00 C ATOM 971 CD1 TYR A 152 -4.190 -4.557 -8.557 1.00 0.00 C ATOM 972 CD2 TYR A 152 -2.414 -3.989 -7.072 1.00 0.00 C ATOM 973 CE1 TYR A 152 -3.307 -5.262 -9.352 1.00 0.00 C ATOM 974 CE2 TYR A 152 -1.524 -4.690 -7.862 1.00 0.00 C ATOM 975 CZ TYR A 152 -1.975 -5.325 -9.000 1.00 0.00 C ATOM 976 OH TYR A 152 -1.091 -6.025 -9.790 1.00 0.00 O ATOM 0 H TYR A 152 -5.908 -2.871 -4.274 1.00 0.00 H new ATOM 0 HA TYR A 152 -6.655 -4.045 -6.857 1.00 0.00 H new ATOM 0 HB2 TYR A 152 -5.106 -2.283 -7.096 1.00 0.00 H new ATOM 0 HB3 TYR A 152 -4.200 -2.749 -5.670 1.00 0.00 H new ATOM 0 HD1 TYR A 152 -5.232 -4.508 -8.836 1.00 0.00 H new ATOM 0 HD2 TYR A 152 -2.057 -3.494 -6.181 1.00 0.00 H new ATOM 0 HE1 TYR A 152 -3.658 -5.761 -10.244 1.00 0.00 H new ATOM 0 HE2 TYR A 152 -0.480 -4.741 -7.590 1.00 0.00 H new ATOM 0 HH TYR A 152 -0.192 -5.970 -9.403 1.00 0.00 H new ATOM 986 N SER A 153 -5.542 -6.290 -6.677 1.00 0.00 N ATOM 987 CA SER A 153 -5.134 -7.675 -6.473 1.00 0.00 C ATOM 988 C SER A 153 -3.613 -7.802 -6.498 1.00 0.00 C ATOM 989 O SER A 153 -2.989 -7.717 -7.556 1.00 0.00 O ATOM 990 CB SER A 153 -5.750 -8.575 -7.547 1.00 0.00 C ATOM 991 OG SER A 153 -5.478 -9.941 -7.285 1.00 0.00 O ATOM 0 H SER A 153 -5.893 -6.087 -7.613 1.00 0.00 H new ATOM 0 HA SER A 153 -5.492 -7.993 -5.494 1.00 0.00 H new ATOM 0 HB2 SER A 153 -6.828 -8.416 -7.585 1.00 0.00 H new ATOM 0 HB3 SER A 153 -5.353 -8.303 -8.525 1.00 0.00 H new ATOM 0 HG SER A 153 -5.883 -10.495 -7.984 1.00 0.00 H new ATOM 997 N PHE A 154 -3.024 -8.007 -5.325 1.00 0.00 N ATOM 998 CA PHE A 154 -1.576 -8.145 -5.211 1.00 0.00 C ATOM 999 C PHE A 154 -1.212 -9.327 -4.318 1.00 0.00 C ATOM 1000 O PHE A 154 -1.331 -9.255 -3.095 1.00 0.00 O ATOM 1001 CB PHE A 154 -0.963 -6.860 -4.650 1.00 0.00 C ATOM 1002 CG PHE A 154 0.516 -6.748 -4.889 1.00 0.00 C ATOM 1003 CD1 PHE A 154 1.016 -6.610 -6.173 1.00 0.00 C ATOM 1004 CD2 PHE A 154 1.406 -6.782 -3.827 1.00 0.00 C ATOM 1005 CE1 PHE A 154 2.376 -6.507 -6.396 1.00 0.00 C ATOM 1006 CE2 PHE A 154 2.767 -6.679 -4.044 1.00 0.00 C ATOM 1007 CZ PHE A 154 3.253 -6.542 -5.329 1.00 0.00 C ATOM 0 H PHE A 154 -3.526 -8.081 -4.440 1.00 0.00 H new ATOM 0 HA PHE A 154 -1.173 -8.327 -6.207 1.00 0.00 H new ATOM 0 HB2 PHE A 154 -1.462 -6.002 -5.101 1.00 0.00 H new ATOM 0 HB3 PHE A 154 -1.154 -6.813 -3.578 1.00 0.00 H new ATOM 0 HD1 PHE A 154 0.335 -6.583 -7.011 1.00 0.00 H new ATOM 0 HD2 PHE A 154 1.032 -6.890 -2.820 1.00 0.00 H new ATOM 0 HE1 PHE A 154 2.753 -6.399 -7.402 1.00 0.00 H new ATOM 0 HE2 PHE A 154 3.451 -6.706 -3.208 1.00 0.00 H new ATOM 0 HZ PHE A 154 4.316 -6.462 -5.500 1.00 0.00 H new ATOM 1017 N ARG A 155 -0.768 -10.415 -4.939 1.00 0.00 N ATOM 1018 CA ARG A 155 -0.387 -11.614 -4.202 1.00 0.00 C ATOM 1019 C ARG A 155 -1.550 -12.124 -3.356 1.00 0.00 C ATOM 1020 O ARG A 155 -1.348 -12.766 -2.326 1.00 0.00 O ATOM 1021 CB ARG A 155 0.820 -11.327 -3.308 1.00 0.00 C ATOM 1022 CG ARG A 155 2.081 -10.978 -4.081 1.00 0.00 C ATOM 1023 CD ARG A 155 3.259 -10.740 -3.148 1.00 0.00 C ATOM 1024 NE ARG A 155 4.535 -10.783 -3.856 1.00 0.00 N ATOM 1025 CZ ARG A 155 5.699 -10.477 -3.293 1.00 0.00 C ATOM 1026 NH1 ARG A 155 5.746 -10.108 -2.020 1.00 0.00 N ATOM 1027 NH2 ARG A 155 6.818 -10.540 -4.002 1.00 0.00 N ATOM 0 H ARG A 155 -0.663 -10.491 -5.951 1.00 0.00 H new ATOM 0 HA ARG A 155 -0.120 -12.385 -4.925 1.00 0.00 H new ATOM 0 HB2 ARG A 155 0.576 -10.504 -2.636 1.00 0.00 H new ATOM 0 HB3 ARG A 155 1.016 -12.200 -2.685 1.00 0.00 H new ATOM 0 HG2 ARG A 155 2.321 -11.786 -4.772 1.00 0.00 H new ATOM 0 HG3 ARG A 155 1.905 -10.086 -4.682 1.00 0.00 H new ATOM 0 HD2 ARG A 155 3.147 -9.771 -2.662 1.00 0.00 H new ATOM 0 HD3 ARG A 155 3.256 -11.494 -2.361 1.00 0.00 H new ATOM 0 HE ARG A 155 4.533 -11.063 -4.837 1.00 0.00 H new ATOM 0 HH11 ARG A 155 4.888 -10.059 -1.471 1.00 0.00 H new ATOM 0 HH12 ARG A 155 6.641 -9.874 -1.590 1.00 0.00 H new ATOM 0 HH21 ARG A 155 6.786 -10.824 -4.981 1.00 0.00 H new ATOM 0 HH22 ARG A 155 7.711 -10.305 -3.568 1.00 0.00 H new ATOM 1041 N GLY A 156 -2.770 -11.834 -3.799 1.00 0.00 N ATOM 1042 CA GLY A 156 -3.947 -12.270 -3.071 1.00 0.00 C ATOM 1043 C GLY A 156 -4.404 -11.253 -2.044 1.00 0.00 C ATOM 1044 O GLY A 156 -5.549 -11.284 -1.594 1.00 0.00 O ATOM 0 H GLY A 156 -2.964 -11.305 -4.649 1.00 0.00 H new ATOM 0 HA2 GLY A 156 -4.757 -12.459 -3.776 1.00 0.00 H new ATOM 0 HA3 GLY A 156 -3.732 -13.215 -2.571 1.00 0.00 H new ATOM 1048 N LYS A 157 -3.505 -10.348 -1.670 1.00 0.00 N ATOM 1049 CA LYS A 157 -3.820 -9.316 -0.689 1.00 0.00 C ATOM 1050 C LYS A 157 -4.345 -8.058 -1.373 1.00 0.00 C ATOM 1051 O LYS A 157 -3.805 -7.620 -2.389 1.00 0.00 O ATOM 1052 CB LYS A 157 -2.581 -8.978 0.142 1.00 0.00 C ATOM 1053 CG LYS A 157 -2.046 -10.154 0.942 1.00 0.00 C ATOM 1054 CD LYS A 157 -2.890 -10.419 2.177 1.00 0.00 C ATOM 1055 CE LYS A 157 -2.165 -11.318 3.166 1.00 0.00 C ATOM 1056 NZ LYS A 157 -1.233 -10.547 4.036 1.00 0.00 N ATOM 0 H LYS A 157 -2.552 -10.309 -2.032 1.00 0.00 H new ATOM 0 HA LYS A 157 -4.598 -9.702 -0.030 1.00 0.00 H new ATOM 0 HB2 LYS A 157 -1.797 -8.614 -0.522 1.00 0.00 H new ATOM 0 HB3 LYS A 157 -2.823 -8.164 0.826 1.00 0.00 H new ATOM 0 HG2 LYS A 157 -2.029 -11.045 0.314 1.00 0.00 H new ATOM 0 HG3 LYS A 157 -1.017 -9.954 1.240 1.00 0.00 H new ATOM 0 HD2 LYS A 157 -3.139 -9.473 2.658 1.00 0.00 H new ATOM 0 HD3 LYS A 157 -3.831 -10.884 1.883 1.00 0.00 H new ATOM 0 HE2 LYS A 157 -2.895 -11.838 3.787 1.00 0.00 H new ATOM 0 HE3 LYS A 157 -1.607 -12.081 2.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 157 -0.538 -11.194 4.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 157 -0.738 -9.831 3.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 157 -1.772 -10.076 4.791 1.00 0.00 H new ATOM 1070 N ASP A 158 -5.400 -7.480 -0.808 1.00 0.00 N ATOM 1071 CA ASP A 158 -5.996 -6.270 -1.362 1.00 0.00 C ATOM 1072 C ASP A 158 -5.308 -5.024 -0.811 1.00 0.00 C ATOM 1073 O ASP A 158 -5.714 -4.481 0.217 1.00 0.00 O ATOM 1074 CB ASP A 158 -7.492 -6.223 -1.046 1.00 0.00 C ATOM 1075 CG ASP A 158 -8.216 -7.481 -1.484 1.00 0.00 C ATOM 1076 OD1 ASP A 158 -7.901 -7.998 -2.576 1.00 0.00 O ATOM 1077 OD2 ASP A 158 -9.096 -7.950 -0.732 1.00 0.00 O ATOM 0 H ASP A 158 -5.860 -7.830 0.033 1.00 0.00 H new ATOM 0 HA ASP A 158 -5.861 -6.290 -2.443 1.00 0.00 H new ATOM 0 HB2 ASP A 158 -7.630 -6.083 0.026 1.00 0.00 H new ATOM 0 HB3 ASP A 158 -7.938 -5.360 -1.540 1.00 0.00 H new ATOM 1082 N LEU A 159 -4.265 -4.577 -1.502 1.00 0.00 N ATOM 1083 CA LEU A 159 -3.520 -3.395 -1.082 1.00 0.00 C ATOM 1084 C LEU A 159 -4.465 -2.249 -0.737 1.00 0.00 C ATOM 1085 O LEU A 159 -5.393 -1.949 -1.489 1.00 0.00 O ATOM 1086 CB LEU A 159 -2.553 -2.960 -2.185 1.00 0.00 C ATOM 1087 CG LEU A 159 -1.381 -3.903 -2.460 1.00 0.00 C ATOM 1088 CD1 LEU A 159 -0.565 -3.407 -3.644 1.00 0.00 C ATOM 1089 CD2 LEU A 159 -0.503 -4.038 -1.225 1.00 0.00 C ATOM 0 H LEU A 159 -3.916 -5.015 -2.355 1.00 0.00 H new ATOM 0 HA LEU A 159 -2.951 -3.653 -0.189 1.00 0.00 H new ATOM 0 HB2 LEU A 159 -3.119 -2.837 -3.109 1.00 0.00 H new ATOM 0 HB3 LEU A 159 -2.152 -1.981 -1.924 1.00 0.00 H new ATOM 0 HG LEU A 159 -1.781 -4.887 -2.706 1.00 0.00 H new ATOM 0 HD11 LEU A 159 0.265 -4.090 -3.826 1.00 0.00 H new ATOM 0 HD12 LEU A 159 -1.199 -3.363 -4.530 1.00 0.00 H new ATOM 0 HD13 LEU A 159 -0.175 -2.413 -3.426 1.00 0.00 H new ATOM 0 HD21 LEU A 159 0.326 -4.713 -1.440 1.00 0.00 H new ATOM 0 HD22 LEU A 159 -0.111 -3.059 -0.948 1.00 0.00 H new ATOM 0 HD23 LEU A 159 -1.093 -4.439 -0.401 1.00 0.00 H new ATOM 1101 N ILE A 160 -4.221 -1.611 0.403 1.00 0.00 N ATOM 1102 CA ILE A 160 -5.049 -0.496 0.845 1.00 0.00 C ATOM 1103 C ILE A 160 -4.320 0.832 0.671 1.00 0.00 C ATOM 1104 O ILE A 160 -3.431 1.172 1.451 1.00 0.00 O ATOM 1105 CB ILE A 160 -5.462 -0.652 2.321 1.00 0.00 C ATOM 1106 CG1 ILE A 160 -6.480 -1.784 2.471 1.00 0.00 C ATOM 1107 CG2 ILE A 160 -6.032 0.655 2.852 1.00 0.00 C ATOM 1108 CD1 ILE A 160 -6.587 -2.317 3.882 1.00 0.00 C ATOM 0 H ILE A 160 -3.457 -1.847 1.037 1.00 0.00 H new ATOM 0 HA ILE A 160 -5.944 -0.501 0.223 1.00 0.00 H new ATOM 0 HB ILE A 160 -4.578 -0.904 2.906 1.00 0.00 H new ATOM 0 HG12 ILE A 160 -7.459 -1.426 2.151 1.00 0.00 H new ATOM 0 HG13 ILE A 160 -6.205 -2.600 1.803 1.00 0.00 H new ATOM 0 HG21 ILE A 160 -6.319 0.529 3.896 1.00 0.00 H new ATOM 0 HG22 ILE A 160 -5.278 1.439 2.775 1.00 0.00 H new ATOM 0 HG23 ILE A 160 -6.907 0.935 2.266 1.00 0.00 H new ATOM 0 HD11 ILE A 160 -7.327 -3.117 3.914 1.00 0.00 H new ATOM 0 HD12 ILE A 160 -5.619 -2.705 4.199 1.00 0.00 H new ATOM 0 HD13 ILE A 160 -6.892 -1.514 4.552 1.00 0.00 H new ATOM 1120 N VAL A 161 -4.705 1.581 -0.358 1.00 0.00 N ATOM 1121 CA VAL A 161 -4.090 2.874 -0.634 1.00 0.00 C ATOM 1122 C VAL A 161 -4.945 4.015 -0.094 1.00 0.00 C ATOM 1123 O VAL A 161 -6.122 4.135 -0.434 1.00 0.00 O ATOM 1124 CB VAL A 161 -3.871 3.081 -2.144 1.00 0.00 C ATOM 1125 CG1 VAL A 161 -3.061 4.343 -2.399 1.00 0.00 C ATOM 1126 CG2 VAL A 161 -3.188 1.867 -2.754 1.00 0.00 C ATOM 0 H VAL A 161 -5.439 1.315 -1.014 1.00 0.00 H new ATOM 0 HA VAL A 161 -3.123 2.879 -0.131 1.00 0.00 H new ATOM 0 HB VAL A 161 -4.844 3.200 -2.621 1.00 0.00 H new ATOM 0 HG11 VAL A 161 -2.917 4.472 -3.472 1.00 0.00 H new ATOM 0 HG12 VAL A 161 -3.594 5.205 -1.998 1.00 0.00 H new ATOM 0 HG13 VAL A 161 -2.091 4.257 -1.910 1.00 0.00 H new ATOM 0 HG21 VAL A 161 -3.041 2.030 -3.822 1.00 0.00 H new ATOM 0 HG22 VAL A 161 -2.222 1.714 -2.274 1.00 0.00 H new ATOM 0 HG23 VAL A 161 -3.811 0.985 -2.604 1.00 0.00 H new ATOM 1136 N GLN A 162 -4.345 4.851 0.747 1.00 0.00 N ATOM 1137 CA GLN A 162 -5.053 5.983 1.334 1.00 0.00 C ATOM 1138 C GLN A 162 -4.205 7.249 1.266 1.00 0.00 C ATOM 1139 O GLN A 162 -2.982 7.184 1.139 1.00 0.00 O ATOM 1140 CB GLN A 162 -5.426 5.681 2.786 1.00 0.00 C ATOM 1141 CG GLN A 162 -4.337 4.950 3.555 1.00 0.00 C ATOM 1142 CD GLN A 162 -4.882 4.153 4.723 1.00 0.00 C ATOM 1143 OE1 GLN A 162 -4.576 2.970 4.879 1.00 0.00 O ATOM 1144 NE2 GLN A 162 -5.694 4.797 5.552 1.00 0.00 N ATOM 0 H GLN A 162 -3.371 4.766 1.037 1.00 0.00 H new ATOM 0 HA GLN A 162 -5.965 6.147 0.760 1.00 0.00 H new ATOM 0 HB2 GLN A 162 -5.653 6.617 3.296 1.00 0.00 H new ATOM 0 HB3 GLN A 162 -6.336 5.080 2.801 1.00 0.00 H new ATOM 0 HG2 GLN A 162 -3.807 4.280 2.878 1.00 0.00 H new ATOM 0 HG3 GLN A 162 -3.609 5.673 3.922 1.00 0.00 H new ATOM 0 HE21 GLN A 162 -5.921 5.777 5.385 1.00 0.00 H new ATOM 0 HE22 GLN A 162 -6.091 4.312 6.356 1.00 0.00 H new ATOM 1153 N LEU A 163 -4.862 8.400 1.352 1.00 0.00 N ATOM 1154 CA LEU A 163 -4.169 9.683 1.301 1.00 0.00 C ATOM 1155 C LEU A 163 -3.641 10.072 2.678 1.00 0.00 C ATOM 1156 O LEU A 163 -4.327 9.903 3.686 1.00 0.00 O ATOM 1157 CB LEU A 163 -5.107 10.771 0.775 1.00 0.00 C ATOM 1158 CG LEU A 163 -4.501 12.168 0.632 1.00 0.00 C ATOM 1159 CD1 LEU A 163 -3.661 12.257 -0.633 1.00 0.00 C ATOM 1160 CD2 LEU A 163 -5.595 13.225 0.623 1.00 0.00 C ATOM 0 H LEU A 163 -5.874 8.472 1.457 1.00 0.00 H new ATOM 0 HA LEU A 163 -3.322 9.584 0.623 1.00 0.00 H new ATOM 0 HB2 LEU A 163 -5.483 10.459 -0.199 1.00 0.00 H new ATOM 0 HB3 LEU A 163 -5.966 10.836 1.443 1.00 0.00 H new ATOM 0 HG LEU A 163 -3.853 12.352 1.489 1.00 0.00 H new ATOM 0 HD11 LEU A 163 -3.238 13.258 -0.719 1.00 0.00 H new ATOM 0 HD12 LEU A 163 -2.855 11.525 -0.587 1.00 0.00 H new ATOM 0 HD13 LEU A 163 -4.288 12.053 -1.501 1.00 0.00 H new ATOM 0 HD21 LEU A 163 -5.146 14.213 0.521 1.00 0.00 H new ATOM 0 HD22 LEU A 163 -6.269 13.044 -0.215 1.00 0.00 H new ATOM 0 HD23 LEU A 163 -6.156 13.176 1.557 1.00 0.00 H new