USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 610 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 35 CYS SG : rot -148:sc= 0.832 USER MOD Set 1.2: A 69 SER OG : rot -88:sc= 0.388 USER MOD Set 1.3: A 71 THR OG1 : rot 147:sc= 1.11 USER MOD Set 2.1: A 13 THR OG1 : rot 180:sc= 0.0119 USER MOD Set 2.2: A 16 GLN : amide:sc= -0.424 K(o=-0.41,f=-2) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -0.355 X(o=-0.36,f=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= -0.59 X(o=-0.59,f=-0.17) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl 154:sc= -3.02! (180deg=-5.47!) USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.583 USER MOD Single : A 58 GLN :FLIP amide:sc= -0.566 F(o=-1.1,f=-0.57) USER MOD Single : A 60 MET CE :methyl -179:sc= 0 (180deg=-0.000222) USER MOD Single : A 80 MET CE :methyl -112:sc= -0.939 (180deg=-4.03!) USER MOD Single : A 81 MET CE :methyl -161:sc= -0.146 (180deg=-0.927) USER MOD Single : A 84 CYS SG : rot 70:sc= 0.171 USER MOD ----------------------------------------------------------------- ATOM 46 N ILE A 4 8.928 -2.770 -18.094 1.00 0.00 N ATOM 47 CA ILE A 4 8.079 -3.740 -17.392 1.00 0.00 C ATOM 48 C ILE A 4 6.629 -3.245 -17.357 1.00 0.00 C ATOM 49 O ILE A 4 5.694 -4.042 -17.287 1.00 0.00 O ATOM 50 CB ILE A 4 8.568 -4.012 -15.955 1.00 0.00 C ATOM 51 CG1 ILE A 4 8.186 -2.846 -15.018 1.00 0.00 C ATOM 52 CG2 ILE A 4 10.086 -4.232 -15.947 1.00 0.00 C ATOM 53 CD1 ILE A 4 9.125 -1.652 -15.213 1.00 0.00 C ATOM 0 HA ILE A 4 8.138 -4.677 -17.945 1.00 0.00 H new ATOM 0 HB ILE A 4 8.081 -4.916 -15.589 1.00 0.00 H new ATOM 0 HG12 ILE A 4 7.158 -2.540 -15.213 1.00 0.00 H new ATOM 0 HG13 ILE A 4 8.228 -3.180 -13.981 1.00 0.00 H new ATOM 0 HG21 ILE A 4 10.421 -4.423 -14.927 1.00 0.00 H new ATOM 0 HG22 ILE A 4 10.333 -5.087 -16.576 1.00 0.00 H new ATOM 0 HG23 ILE A 4 10.585 -3.342 -16.332 1.00 0.00 H new ATOM 0 HD11 ILE A 4 8.833 -0.846 -14.541 1.00 0.00 H new ATOM 0 HD12 ILE A 4 10.149 -1.955 -14.993 1.00 0.00 H new ATOM 0 HD13 ILE A 4 9.063 -1.305 -16.244 1.00 0.00 H new ATOM 65 N TYR A 5 6.460 -1.919 -17.421 1.00 0.00 N ATOM 66 CA TYR A 5 5.129 -1.312 -17.412 1.00 0.00 C ATOM 67 C TYR A 5 4.422 -1.584 -18.737 1.00 0.00 C ATOM 68 O TYR A 5 3.208 -1.785 -18.780 1.00 0.00 O ATOM 69 CB TYR A 5 5.232 0.204 -17.209 1.00 0.00 C ATOM 70 CG TYR A 5 6.065 0.495 -15.983 1.00 0.00 C ATOM 71 CD1 TYR A 5 5.623 0.073 -14.725 1.00 0.00 C ATOM 72 CD2 TYR A 5 7.277 1.181 -16.105 1.00 0.00 C ATOM 73 CE1 TYR A 5 6.391 0.339 -13.587 1.00 0.00 C ATOM 74 CE2 TYR A 5 8.047 1.448 -14.968 1.00 0.00 C ATOM 75 CZ TYR A 5 7.605 1.028 -13.708 1.00 0.00 C ATOM 76 OH TYR A 5 8.364 1.292 -12.585 1.00 0.00 O ATOM 0 H TYR A 5 7.227 -1.250 -17.479 1.00 0.00 H new ATOM 0 HA TYR A 5 4.561 -1.750 -16.591 1.00 0.00 H new ATOM 0 HB2 TYR A 5 5.682 0.669 -18.086 1.00 0.00 H new ATOM 0 HB3 TYR A 5 4.237 0.634 -17.096 1.00 0.00 H new ATOM 0 HD1 TYR A 5 4.688 -0.459 -14.632 1.00 0.00 H new ATOM 0 HD2 TYR A 5 7.619 1.505 -17.077 1.00 0.00 H new ATOM 0 HE1 TYR A 5 6.049 0.014 -12.616 1.00 0.00 H new ATOM 0 HE2 TYR A 5 8.983 1.978 -15.062 1.00 0.00 H new ATOM 0 HH TYR A 5 9.175 1.776 -12.845 1.00 0.00 H new ATOM 86 N LYS A 6 5.208 -1.595 -19.817 1.00 0.00 N ATOM 87 CA LYS A 6 4.668 -1.852 -21.156 1.00 0.00 C ATOM 88 C LYS A 6 4.368 -3.338 -21.316 1.00 0.00 C ATOM 89 O LYS A 6 3.364 -3.724 -21.915 1.00 0.00 O ATOM 90 CB LYS A 6 5.666 -1.420 -22.244 1.00 0.00 C ATOM 91 CG LYS A 6 6.259 -0.044 -21.906 1.00 0.00 C ATOM 92 CD LYS A 6 5.146 0.909 -21.455 1.00 0.00 C ATOM 93 CE LYS A 6 5.763 2.187 -20.881 1.00 0.00 C ATOM 94 NZ LYS A 6 4.773 3.300 -20.957 1.00 0.00 N ATOM 0 H LYS A 6 6.214 -1.430 -19.792 1.00 0.00 H new ATOM 0 HA LYS A 6 3.752 -1.272 -21.269 1.00 0.00 H new ATOM 0 HB2 LYS A 6 6.465 -2.157 -22.328 1.00 0.00 H new ATOM 0 HB3 LYS A 6 5.165 -1.380 -23.211 1.00 0.00 H new ATOM 0 HG2 LYS A 6 7.005 -0.144 -21.118 1.00 0.00 H new ATOM 0 HG3 LYS A 6 6.769 0.366 -22.778 1.00 0.00 H new ATOM 0 HD2 LYS A 6 4.499 1.153 -22.298 1.00 0.00 H new ATOM 0 HD3 LYS A 6 4.522 0.425 -20.703 1.00 0.00 H new ATOM 0 HE2 LYS A 6 6.063 2.024 -19.846 1.00 0.00 H new ATOM 0 HE3 LYS A 6 6.663 2.449 -21.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 5.195 4.167 -20.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 4.507 3.461 -21.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 3.926 3.049 -20.408 1.00 0.00 H new ATOM 108 N ALA A 7 5.251 -4.165 -20.755 1.00 0.00 N ATOM 109 CA ALA A 7 5.081 -5.616 -20.815 1.00 0.00 C ATOM 110 C ALA A 7 3.943 -6.065 -19.891 1.00 0.00 C ATOM 111 O ALA A 7 3.273 -7.066 -20.160 1.00 0.00 O ATOM 112 CB ALA A 7 6.373 -6.322 -20.396 1.00 0.00 C ATOM 0 H ALA A 7 6.086 -3.857 -20.257 1.00 0.00 H new ATOM 0 HA ALA A 7 4.837 -5.883 -21.843 1.00 0.00 H new ATOM 0 HB1 ALA A 7 6.230 -7.401 -20.446 1.00 0.00 H new ATOM 0 HB2 ALA A 7 7.181 -6.031 -21.068 1.00 0.00 H new ATOM 0 HB3 ALA A 7 6.629 -6.037 -19.376 1.00 0.00 H new ATOM 118 N ALA A 8 3.733 -5.318 -18.798 1.00 0.00 N ATOM 119 CA ALA A 8 2.679 -5.650 -17.843 1.00 0.00 C ATOM 120 C ALA A 8 1.316 -5.126 -18.306 1.00 0.00 C ATOM 121 O ALA A 8 0.284 -5.710 -17.975 1.00 0.00 O ATOM 122 CB ALA A 8 2.998 -5.056 -16.469 1.00 0.00 C ATOM 0 H ALA A 8 4.276 -4.488 -18.559 1.00 0.00 H new ATOM 0 HA ALA A 8 2.633 -6.737 -17.777 1.00 0.00 H new ATOM 0 HB1 ALA A 8 2.203 -5.312 -15.768 1.00 0.00 H new ATOM 0 HB2 ALA A 8 3.944 -5.460 -16.108 1.00 0.00 H new ATOM 0 HB3 ALA A 8 3.075 -3.972 -16.550 1.00 0.00 H new ATOM 128 N VAL A 9 1.315 -4.019 -19.069 1.00 0.00 N ATOM 129 CA VAL A 9 0.056 -3.439 -19.557 1.00 0.00 C ATOM 130 C VAL A 9 -0.768 -4.469 -20.347 1.00 0.00 C ATOM 131 O VAL A 9 -1.999 -4.420 -20.346 1.00 0.00 O ATOM 132 CB VAL A 9 0.326 -2.199 -20.429 1.00 0.00 C ATOM 133 CG1 VAL A 9 0.646 -2.609 -21.870 1.00 0.00 C ATOM 134 CG2 VAL A 9 -0.912 -1.296 -20.423 1.00 0.00 C ATOM 0 H VAL A 9 2.156 -3.517 -19.356 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.523 -3.137 -18.684 1.00 0.00 H new ATOM 0 HB VAL A 9 1.183 -1.664 -20.019 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.833 -1.718 -22.469 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.531 -3.245 -21.879 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -0.199 -3.156 -22.289 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -0.724 -0.417 -21.040 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.764 -1.845 -20.823 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -1.129 -0.983 -19.402 1.00 0.00 H new ATOM 144 N GLU A 10 -0.076 -5.402 -21.011 1.00 0.00 N ATOM 145 CA GLU A 10 -0.754 -6.442 -21.792 1.00 0.00 C ATOM 146 C GLU A 10 -1.412 -7.480 -20.874 1.00 0.00 C ATOM 147 O GLU A 10 -2.359 -8.159 -21.275 1.00 0.00 O ATOM 148 CB GLU A 10 0.241 -7.159 -22.711 1.00 0.00 C ATOM 149 CG GLU A 10 0.703 -6.208 -23.821 1.00 0.00 C ATOM 150 CD GLU A 10 2.147 -6.527 -24.201 1.00 0.00 C ATOM 151 OE1 GLU A 10 3.032 -6.170 -23.440 1.00 0.00 O ATOM 152 OE2 GLU A 10 2.345 -7.122 -25.247 1.00 0.00 O ATOM 0 H GLU A 10 0.942 -5.458 -21.024 1.00 0.00 H new ATOM 0 HA GLU A 10 -1.522 -5.952 -22.390 1.00 0.00 H new ATOM 0 HB2 GLU A 10 1.099 -7.503 -22.134 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -0.225 -8.043 -23.147 1.00 0.00 H new ATOM 0 HG2 GLU A 10 0.056 -6.309 -24.693 1.00 0.00 H new ATOM 0 HG3 GLU A 10 0.625 -5.174 -23.484 1.00 0.00 H new ATOM 159 N GLN A 11 -0.901 -7.598 -19.640 1.00 0.00 N ATOM 160 CA GLN A 11 -1.447 -8.559 -18.679 1.00 0.00 C ATOM 161 C GLN A 11 -2.612 -7.944 -17.906 1.00 0.00 C ATOM 162 O GLN A 11 -3.680 -8.549 -17.783 1.00 0.00 O ATOM 163 CB GLN A 11 -0.366 -9.002 -17.684 1.00 0.00 C ATOM 164 CG GLN A 11 0.834 -9.576 -18.445 1.00 0.00 C ATOM 165 CD GLN A 11 1.853 -10.136 -17.454 1.00 0.00 C ATOM 166 OE1 GLN A 11 2.083 -11.344 -17.410 1.00 0.00 O ATOM 167 NE2 GLN A 11 2.481 -9.323 -16.647 1.00 0.00 N ATOM 0 H GLN A 11 -0.119 -7.045 -19.289 1.00 0.00 H new ATOM 0 HA GLN A 11 -1.801 -9.425 -19.239 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -0.051 -8.155 -17.074 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -0.770 -9.752 -17.004 1.00 0.00 H new ATOM 0 HG2 GLN A 11 0.504 -10.362 -19.125 1.00 0.00 H new ATOM 0 HG3 GLN A 11 1.295 -8.799 -19.055 1.00 0.00 H new ATOM 0 HE21 GLN A 11 2.291 -8.321 -16.683 1.00 0.00 H new ATOM 0 HE22 GLN A 11 3.161 -9.690 -15.981 1.00 0.00 H new ATOM 176 N LEU A 12 -2.391 -6.735 -17.388 1.00 0.00 N ATOM 177 CA LEU A 12 -3.424 -6.034 -16.624 1.00 0.00 C ATOM 178 C LEU A 12 -4.533 -5.533 -17.548 1.00 0.00 C ATOM 179 O LEU A 12 -4.280 -5.125 -18.684 1.00 0.00 O ATOM 180 CB LEU A 12 -2.826 -4.841 -15.870 1.00 0.00 C ATOM 181 CG LEU A 12 -2.029 -3.853 -16.728 1.00 0.00 C ATOM 182 CD1 LEU A 12 -2.756 -2.509 -16.777 1.00 0.00 C ATOM 183 CD2 LEU A 12 -0.638 -3.659 -16.119 1.00 0.00 C ATOM 0 H LEU A 12 -1.513 -6.224 -17.482 1.00 0.00 H new ATOM 0 HA LEU A 12 -3.842 -6.742 -15.908 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.636 -4.300 -15.380 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.174 -5.220 -15.083 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.934 -4.247 -17.740 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -2.186 -1.809 -17.388 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.746 -2.647 -17.211 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.855 -2.112 -15.767 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.069 -2.956 -16.728 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.735 -3.266 -15.107 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.118 -4.616 -16.088 1.00 0.00 H new ATOM 195 N THR A 13 -5.765 -5.576 -17.043 1.00 0.00 N ATOM 196 CA THR A 13 -6.923 -5.129 -17.820 1.00 0.00 C ATOM 197 C THR A 13 -7.470 -3.815 -17.269 1.00 0.00 C ATOM 198 O THR A 13 -7.055 -3.344 -16.206 1.00 0.00 O ATOM 199 CB THR A 13 -8.046 -6.178 -17.777 1.00 0.00 C ATOM 200 OG1 THR A 13 -7.978 -6.914 -16.561 1.00 0.00 O ATOM 201 CG2 THR A 13 -7.902 -7.131 -18.963 1.00 0.00 C ATOM 0 H THR A 13 -5.988 -5.913 -16.106 1.00 0.00 H new ATOM 0 HA THR A 13 -6.590 -4.987 -18.848 1.00 0.00 H new ATOM 0 HB THR A 13 -9.010 -5.672 -17.833 1.00 0.00 H new ATOM 0 HG1 THR A 13 -8.697 -7.579 -16.541 1.00 0.00 H new ATOM 0 HG21 THR A 13 -8.699 -7.874 -18.931 1.00 0.00 H new ATOM 0 HG22 THR A 13 -7.969 -6.567 -19.893 1.00 0.00 H new ATOM 0 HG23 THR A 13 -6.936 -7.633 -18.911 1.00 0.00 H new ATOM 209 N ASP A 14 -8.428 -3.240 -18.000 1.00 0.00 N ATOM 210 CA ASP A 14 -9.061 -1.990 -17.579 1.00 0.00 C ATOM 211 C ASP A 14 -9.803 -2.201 -16.257 1.00 0.00 C ATOM 212 O ASP A 14 -9.917 -1.284 -15.442 1.00 0.00 O ATOM 213 CB ASP A 14 -10.060 -1.509 -18.634 1.00 0.00 C ATOM 214 CG ASP A 14 -9.308 -1.057 -19.882 1.00 0.00 C ATOM 215 OD1 ASP A 14 -8.909 0.095 -19.926 1.00 0.00 O ATOM 216 OD2 ASP A 14 -9.142 -1.871 -20.777 1.00 0.00 O ATOM 0 H ASP A 14 -8.780 -3.617 -18.880 1.00 0.00 H new ATOM 0 HA ASP A 14 -8.281 -1.239 -17.453 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -10.753 -2.312 -18.886 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -10.655 -0.686 -18.238 1.00 0.00 H new ATOM 221 N GLU A 15 -10.296 -3.431 -16.057 1.00 0.00 N ATOM 222 CA GLU A 15 -11.018 -3.780 -14.833 1.00 0.00 C ATOM 223 C GLU A 15 -10.108 -3.621 -13.614 1.00 0.00 C ATOM 224 O GLU A 15 -10.528 -3.105 -12.578 1.00 0.00 O ATOM 225 CB GLU A 15 -11.517 -5.227 -14.895 1.00 0.00 C ATOM 226 CG GLU A 15 -12.725 -5.318 -15.835 1.00 0.00 C ATOM 227 CD GLU A 15 -12.247 -5.554 -17.267 1.00 0.00 C ATOM 228 OE1 GLU A 15 -11.851 -6.670 -17.563 1.00 0.00 O ATOM 229 OE2 GLU A 15 -12.281 -4.613 -18.044 1.00 0.00 O ATOM 0 H GLU A 15 -10.207 -4.196 -16.726 1.00 0.00 H new ATOM 0 HA GLU A 15 -11.871 -3.107 -14.744 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -10.720 -5.882 -15.247 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -11.794 -5.569 -13.898 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -13.381 -6.130 -15.522 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -13.308 -4.399 -15.783 1.00 0.00 H new ATOM 236 N GLN A 16 -8.851 -4.062 -13.758 1.00 0.00 N ATOM 237 CA GLN A 16 -7.877 -3.954 -12.667 1.00 0.00 C ATOM 238 C GLN A 16 -7.680 -2.491 -12.279 1.00 0.00 C ATOM 239 O GLN A 16 -7.683 -2.147 -11.096 1.00 0.00 O ATOM 240 CB GLN A 16 -6.527 -4.545 -13.086 1.00 0.00 C ATOM 241 CG GLN A 16 -6.522 -6.053 -12.828 1.00 0.00 C ATOM 242 CD GLN A 16 -5.355 -6.692 -13.576 1.00 0.00 C ATOM 243 OE1 GLN A 16 -5.561 -7.505 -14.478 1.00 0.00 O ATOM 244 NE2 GLN A 16 -4.130 -6.368 -13.257 1.00 0.00 N ATOM 0 H GLN A 16 -8.489 -4.492 -14.609 1.00 0.00 H new ATOM 0 HA GLN A 16 -8.264 -4.512 -11.814 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -6.344 -4.346 -14.142 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -5.721 -4.068 -12.528 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -6.435 -6.250 -11.759 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -7.464 -6.492 -13.157 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -3.959 -5.695 -12.510 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -3.345 -6.788 -13.755 1.00 0.00 H new ATOM 253 N LYS A 17 -7.522 -1.632 -13.292 1.00 0.00 N ATOM 254 CA LYS A 17 -7.339 -0.198 -13.052 1.00 0.00 C ATOM 255 C LYS A 17 -8.610 0.424 -12.471 1.00 0.00 C ATOM 256 O LYS A 17 -8.543 1.381 -11.701 1.00 0.00 O ATOM 257 CB LYS A 17 -6.977 0.527 -14.351 1.00 0.00 C ATOM 258 CG LYS A 17 -5.454 0.659 -14.455 1.00 0.00 C ATOM 259 CD LYS A 17 -4.935 -0.232 -15.587 1.00 0.00 C ATOM 260 CE LYS A 17 -4.654 0.621 -16.829 1.00 0.00 C ATOM 261 NZ LYS A 17 -5.938 0.938 -17.520 1.00 0.00 N ATOM 0 H LYS A 17 -7.517 -1.902 -14.276 1.00 0.00 H new ATOM 0 HA LYS A 17 -6.525 -0.087 -12.336 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -7.364 -0.024 -15.208 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -7.440 1.513 -14.371 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.181 1.698 -14.642 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -4.989 0.373 -13.512 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -4.025 -0.744 -15.272 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -5.669 -1.003 -15.822 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -4.147 1.542 -16.543 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -3.987 0.087 -17.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -5.745 1.517 -18.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -6.405 0.054 -17.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -6.560 1.464 -16.873 1.00 0.00 H new ATOM 275 N ASN A 18 -9.769 -0.137 -12.840 1.00 0.00 N ATOM 276 CA ASN A 18 -11.051 0.362 -12.339 1.00 0.00 C ATOM 277 C ASN A 18 -11.148 0.111 -10.830 1.00 0.00 C ATOM 278 O ASN A 18 -11.524 1.000 -10.065 1.00 0.00 O ATOM 279 CB ASN A 18 -12.214 -0.322 -13.089 1.00 0.00 C ATOM 280 CG ASN A 18 -13.300 -0.795 -12.121 1.00 0.00 C ATOM 281 OD1 ASN A 18 -14.108 0.003 -11.643 1.00 0.00 O ATOM 282 ND2 ASN A 18 -13.365 -2.060 -11.806 1.00 0.00 N ATOM 0 H ASN A 18 -9.843 -0.929 -13.478 1.00 0.00 H new ATOM 0 HA ASN A 18 -11.118 1.435 -12.516 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -12.644 0.374 -13.809 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -11.834 -1.172 -13.655 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -14.085 -2.389 -11.163 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -12.695 -2.719 -12.203 1.00 0.00 H new ATOM 289 N GLU A 19 -10.783 -1.108 -10.417 1.00 0.00 N ATOM 290 CA GLU A 19 -10.807 -1.473 -8.996 1.00 0.00 C ATOM 291 C GLU A 19 -9.760 -0.666 -8.238 1.00 0.00 C ATOM 292 O GLU A 19 -10.004 -0.196 -7.127 1.00 0.00 O ATOM 293 CB GLU A 19 -10.503 -2.964 -8.806 1.00 0.00 C ATOM 294 CG GLU A 19 -11.494 -3.800 -9.617 1.00 0.00 C ATOM 295 CD GLU A 19 -10.961 -5.221 -9.767 1.00 0.00 C ATOM 296 OE1 GLU A 19 -11.195 -6.019 -8.873 1.00 0.00 O ATOM 297 OE2 GLU A 19 -10.327 -5.493 -10.774 1.00 0.00 O ATOM 0 H GLU A 19 -10.470 -1.853 -11.040 1.00 0.00 H new ATOM 0 HA GLU A 19 -11.804 -1.258 -8.612 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -9.483 -3.181 -9.125 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -10.569 -3.227 -7.750 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -12.464 -3.815 -9.121 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -11.645 -3.352 -10.599 1.00 0.00 H new ATOM 304 N PHE A 20 -8.590 -0.514 -8.863 1.00 0.00 N ATOM 305 CA PHE A 20 -7.487 0.241 -8.265 1.00 0.00 C ATOM 306 C PHE A 20 -7.876 1.708 -8.078 1.00 0.00 C ATOM 307 O PHE A 20 -7.597 2.305 -7.039 1.00 0.00 O ATOM 308 CB PHE A 20 -6.244 0.167 -9.162 1.00 0.00 C ATOM 309 CG PHE A 20 -5.439 -1.080 -8.859 1.00 0.00 C ATOM 310 CD1 PHE A 20 -6.036 -2.188 -8.238 1.00 0.00 C ATOM 311 CD2 PHE A 20 -4.086 -1.125 -9.209 1.00 0.00 C ATOM 312 CE1 PHE A 20 -5.279 -3.331 -7.969 1.00 0.00 C ATOM 313 CE2 PHE A 20 -3.328 -2.267 -8.940 1.00 0.00 C ATOM 314 CZ PHE A 20 -3.924 -3.372 -8.321 1.00 0.00 C ATOM 0 H PHE A 20 -8.382 -0.904 -9.782 1.00 0.00 H new ATOM 0 HA PHE A 20 -7.266 -0.201 -7.293 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -6.545 0.166 -10.210 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -5.626 1.051 -9.009 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -7.081 -2.157 -7.968 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -3.626 -0.274 -9.689 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -5.739 -4.183 -7.490 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -2.283 -2.297 -9.209 1.00 0.00 H new ATOM 0 HZ PHE A 20 -3.339 -4.256 -8.115 1.00 0.00 H new ATOM 324 N LYS A 21 -8.524 2.278 -9.100 1.00 0.00 N ATOM 325 CA LYS A 21 -8.953 3.676 -9.044 1.00 0.00 C ATOM 326 C LYS A 21 -10.014 3.867 -7.960 1.00 0.00 C ATOM 327 O LYS A 21 -9.968 4.835 -7.202 1.00 0.00 O ATOM 328 CB LYS A 21 -9.522 4.125 -10.397 1.00 0.00 C ATOM 329 CG LYS A 21 -9.775 5.637 -10.382 1.00 0.00 C ATOM 330 CD LYS A 21 -8.462 6.378 -10.105 1.00 0.00 C ATOM 331 CE LYS A 21 -8.581 7.829 -10.578 1.00 0.00 C ATOM 332 NZ LYS A 21 -8.127 7.934 -11.994 1.00 0.00 N ATOM 0 H LYS A 21 -8.760 1.796 -9.968 1.00 0.00 H new ATOM 0 HA LYS A 21 -8.080 4.284 -8.806 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -8.825 3.872 -11.196 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -10.451 3.594 -10.605 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -10.189 5.956 -11.339 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -10.512 5.885 -9.618 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -8.235 6.350 -9.039 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -7.638 5.884 -10.620 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -9.614 8.167 -10.491 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -7.979 8.479 -9.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -8.209 8.921 -12.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -7.135 7.629 -12.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -8.720 7.326 -12.595 1.00 0.00 H new ATOM 346 N ALA A 22 -10.961 2.926 -7.887 1.00 0.00 N ATOM 347 CA ALA A 22 -12.020 2.995 -6.879 1.00 0.00 C ATOM 348 C ALA A 22 -11.428 2.815 -5.482 1.00 0.00 C ATOM 349 O ALA A 22 -11.760 3.555 -4.557 1.00 0.00 O ATOM 350 CB ALA A 22 -13.072 1.910 -7.121 1.00 0.00 C ATOM 0 H ALA A 22 -11.015 2.117 -8.506 1.00 0.00 H new ATOM 0 HA ALA A 22 -12.494 3.973 -6.955 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -13.849 1.980 -6.360 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -13.516 2.047 -8.107 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -12.601 0.928 -7.069 1.00 0.00 H new ATOM 356 N ALA A 23 -10.531 1.830 -5.349 1.00 0.00 N ATOM 357 CA ALA A 23 -9.872 1.558 -4.068 1.00 0.00 C ATOM 358 C ALA A 23 -9.003 2.746 -3.640 1.00 0.00 C ATOM 359 O ALA A 23 -8.724 2.931 -2.453 1.00 0.00 O ATOM 360 CB ALA A 23 -8.991 0.309 -4.173 1.00 0.00 C ATOM 0 H ALA A 23 -10.247 1.212 -6.109 1.00 0.00 H new ATOM 0 HA ALA A 23 -10.650 1.395 -3.323 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.509 0.122 -3.213 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -9.607 -0.549 -4.444 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -8.229 0.464 -4.937 1.00 0.00 H new ATOM 366 N PHE A 24 -8.583 3.550 -4.622 1.00 0.00 N ATOM 367 CA PHE A 24 -7.756 4.720 -4.352 1.00 0.00 C ATOM 368 C PHE A 24 -8.637 5.922 -4.001 1.00 0.00 C ATOM 369 O PHE A 24 -8.460 6.547 -2.957 1.00 0.00 O ATOM 370 CB PHE A 24 -6.912 5.061 -5.589 1.00 0.00 C ATOM 371 CG PHE A 24 -5.691 5.861 -5.192 1.00 0.00 C ATOM 372 CD1 PHE A 24 -5.753 7.262 -5.137 1.00 0.00 C ATOM 373 CD2 PHE A 24 -4.491 5.204 -4.891 1.00 0.00 C ATOM 374 CE1 PHE A 24 -4.617 7.999 -4.779 1.00 0.00 C ATOM 375 CE2 PHE A 24 -3.358 5.944 -4.532 1.00 0.00 C ATOM 376 CZ PHE A 24 -3.422 7.341 -4.478 1.00 0.00 C ATOM 0 H PHE A 24 -8.804 3.409 -5.608 1.00 0.00 H new ATOM 0 HA PHE A 24 -7.101 4.494 -3.511 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -6.606 4.144 -6.092 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -7.511 5.629 -6.300 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -6.676 7.772 -5.371 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -4.440 4.126 -4.936 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -4.665 9.077 -4.736 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -2.434 5.437 -4.297 1.00 0.00 H new ATOM 0 HZ PHE A 24 -2.547 7.911 -4.203 1.00 0.00 H new ATOM 386 N ASP A 25 -9.579 6.235 -4.897 1.00 0.00 N ATOM 387 CA ASP A 25 -10.484 7.378 -4.710 1.00 0.00 C ATOM 388 C ASP A 25 -11.251 7.314 -3.384 1.00 0.00 C ATOM 389 O ASP A 25 -11.473 8.348 -2.751 1.00 0.00 O ATOM 390 CB ASP A 25 -11.494 7.460 -5.859 1.00 0.00 C ATOM 391 CG ASP A 25 -11.989 8.897 -6.006 1.00 0.00 C ATOM 392 OD1 ASP A 25 -12.950 9.243 -5.338 1.00 0.00 O ATOM 393 OD2 ASP A 25 -11.397 9.630 -6.782 1.00 0.00 O ATOM 0 H ASP A 25 -9.736 5.714 -5.760 1.00 0.00 H new ATOM 0 HA ASP A 25 -9.853 8.267 -4.696 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -11.031 7.128 -6.788 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -12.334 6.793 -5.666 1.00 0.00 H new ATOM 398 N ILE A 26 -11.662 6.109 -2.967 1.00 0.00 N ATOM 399 CA ILE A 26 -12.408 5.966 -1.707 1.00 0.00 C ATOM 400 C ILE A 26 -11.625 6.583 -0.545 1.00 0.00 C ATOM 401 O ILE A 26 -12.205 7.203 0.348 1.00 0.00 O ATOM 402 CB ILE A 26 -12.709 4.493 -1.395 1.00 0.00 C ATOM 403 CG1 ILE A 26 -11.411 3.674 -1.435 1.00 0.00 C ATOM 404 CG2 ILE A 26 -13.701 3.944 -2.426 1.00 0.00 C ATOM 405 CD1 ILE A 26 -11.709 2.211 -1.107 1.00 0.00 C ATOM 0 H ILE A 26 -11.496 5.237 -3.469 1.00 0.00 H new ATOM 0 HA ILE A 26 -13.354 6.494 -1.829 1.00 0.00 H new ATOM 0 HB ILE A 26 -13.144 4.418 -0.399 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -10.954 3.749 -2.422 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -10.694 4.077 -0.720 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -13.915 2.898 -2.204 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -14.625 4.520 -2.384 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -13.269 4.023 -3.424 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -10.784 1.636 -1.137 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -12.146 2.143 -0.111 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -12.410 1.810 -1.839 1.00 0.00 H new ATOM 417 N PHE A 27 -10.299 6.420 -0.581 1.00 0.00 N ATOM 418 CA PHE A 27 -9.436 6.979 0.459 1.00 0.00 C ATOM 419 C PHE A 27 -9.105 8.443 0.152 1.00 0.00 C ATOM 420 O PHE A 27 -8.906 9.247 1.064 1.00 0.00 O ATOM 421 CB PHE A 27 -8.130 6.183 0.563 1.00 0.00 C ATOM 422 CG PHE A 27 -8.320 5.019 1.509 1.00 0.00 C ATOM 423 CD1 PHE A 27 -8.777 3.788 1.023 1.00 0.00 C ATOM 424 CD2 PHE A 27 -8.042 5.173 2.872 1.00 0.00 C ATOM 425 CE1 PHE A 27 -8.954 2.712 1.899 1.00 0.00 C ATOM 426 CE2 PHE A 27 -8.219 4.097 3.749 1.00 0.00 C ATOM 427 CZ PHE A 27 -8.675 2.865 3.263 1.00 0.00 C ATOM 0 H PHE A 27 -9.805 5.910 -1.313 1.00 0.00 H new ATOM 0 HA PHE A 27 -9.972 6.918 1.406 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -7.834 5.820 -0.421 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -7.327 6.828 0.920 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -8.993 3.669 -0.029 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -7.691 6.123 3.247 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -9.306 1.763 1.523 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -8.004 4.216 4.801 1.00 0.00 H new ATOM 0 HZ PHE A 27 -8.811 2.034 3.939 1.00 0.00 H new ATOM 437 N ILE A 28 -9.048 8.779 -1.146 1.00 0.00 N ATOM 438 CA ILE A 28 -8.739 10.151 -1.568 1.00 0.00 C ATOM 439 C ILE A 28 -10.025 10.952 -1.802 1.00 0.00 C ATOM 440 O ILE A 28 -10.104 11.775 -2.719 1.00 0.00 O ATOM 441 CB ILE A 28 -7.902 10.148 -2.862 1.00 0.00 C ATOM 442 CG1 ILE A 28 -6.790 9.093 -2.788 1.00 0.00 C ATOM 443 CG2 ILE A 28 -7.258 11.519 -3.075 1.00 0.00 C ATOM 444 CD1 ILE A 28 -6.178 9.050 -1.384 1.00 0.00 C ATOM 0 H ILE A 28 -9.210 8.126 -1.913 1.00 0.00 H new ATOM 0 HA ILE A 28 -8.165 10.620 -0.769 1.00 0.00 H new ATOM 0 HB ILE A 28 -8.570 9.914 -3.691 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -7.193 8.113 -3.045 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -6.016 9.321 -3.521 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -6.669 11.506 -3.992 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -8.036 12.278 -3.155 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -6.609 11.751 -2.230 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -5.392 8.296 -1.353 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -5.755 10.025 -1.141 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -6.951 8.799 -0.658 1.00 0.00 H new ATOM 456 N GLN A 29 -11.031 10.716 -0.956 1.00 0.00 N ATOM 457 CA GLN A 29 -12.301 11.438 -1.076 1.00 0.00 C ATOM 458 C GLN A 29 -12.120 12.901 -0.659 1.00 0.00 C ATOM 459 O GLN A 29 -12.787 13.795 -1.183 1.00 0.00 O ATOM 460 CB GLN A 29 -13.395 10.790 -0.212 1.00 0.00 C ATOM 461 CG GLN A 29 -12.915 10.637 1.238 1.00 0.00 C ATOM 462 CD GLN A 29 -14.111 10.723 2.180 1.00 0.00 C ATOM 463 OE1 GLN A 29 -14.468 11.807 2.641 1.00 0.00 O ATOM 464 NE2 GLN A 29 -14.759 9.634 2.497 1.00 0.00 N ATOM 0 H GLN A 29 -10.994 10.042 -0.192 1.00 0.00 H new ATOM 0 HA GLN A 29 -12.612 11.391 -2.120 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -14.298 11.400 -0.240 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -13.658 9.814 -0.619 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -12.406 9.682 1.365 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -12.193 11.417 1.478 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -14.464 8.735 2.115 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -15.560 9.682 3.126 1.00 0.00 H new ATOM 473 N ASP A 30 -11.197 13.129 0.283 1.00 0.00 N ATOM 474 CA ASP A 30 -10.912 14.479 0.767 1.00 0.00 C ATOM 475 C ASP A 30 -9.510 14.535 1.384 1.00 0.00 C ATOM 476 O ASP A 30 -9.308 15.096 2.465 1.00 0.00 O ATOM 477 CB ASP A 30 -11.955 14.904 1.809 1.00 0.00 C ATOM 478 CG ASP A 30 -12.238 16.397 1.672 1.00 0.00 C ATOM 479 OD1 ASP A 30 -13.043 16.752 0.826 1.00 0.00 O ATOM 480 OD2 ASP A 30 -11.647 17.163 2.415 1.00 0.00 O ATOM 0 H ASP A 30 -10.638 12.397 0.722 1.00 0.00 H new ATOM 0 HA ASP A 30 -10.957 15.166 -0.078 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -12.875 14.335 1.671 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -11.592 14.683 2.813 1.00 0.00 H new ATOM 485 N ALA A 31 -8.538 13.942 0.677 1.00 0.00 N ATOM 486 CA ALA A 31 -7.153 13.920 1.151 1.00 0.00 C ATOM 487 C ALA A 31 -6.533 15.315 1.076 1.00 0.00 C ATOM 488 O ALA A 31 -6.998 16.181 0.330 1.00 0.00 O ATOM 489 CB ALA A 31 -6.314 12.957 0.307 1.00 0.00 C ATOM 0 H ALA A 31 -8.686 13.475 -0.218 1.00 0.00 H new ATOM 0 HA ALA A 31 -7.162 13.585 2.188 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -5.287 12.953 0.673 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -6.730 11.952 0.381 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -6.327 13.280 -0.734 1.00 0.00 H new ATOM 495 N GLU A 32 -5.474 15.518 1.861 1.00 0.00 N ATOM 496 CA GLU A 32 -4.781 16.810 1.889 1.00 0.00 C ATOM 497 C GLU A 32 -4.067 17.071 0.564 1.00 0.00 C ATOM 498 O GLU A 32 -4.208 18.143 -0.029 1.00 0.00 O ATOM 499 CB GLU A 32 -3.749 16.849 3.022 1.00 0.00 C ATOM 500 CG GLU A 32 -4.465 16.950 4.373 1.00 0.00 C ATOM 501 CD GLU A 32 -3.509 17.524 5.415 1.00 0.00 C ATOM 502 OE1 GLU A 32 -3.446 18.738 5.529 1.00 0.00 O ATOM 503 OE2 GLU A 32 -2.852 16.742 6.083 1.00 0.00 O ATOM 0 H GLU A 32 -5.079 14.812 2.482 1.00 0.00 H new ATOM 0 HA GLU A 32 -5.533 17.581 2.055 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -3.131 15.952 2.994 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -3.082 17.700 2.889 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -5.346 17.586 4.283 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -4.813 15.966 4.686 1.00 0.00 H new ATOM 510 N ASP A 33 -3.300 16.079 0.113 1.00 0.00 N ATOM 511 CA ASP A 33 -2.558 16.200 -1.144 1.00 0.00 C ATOM 512 C ASP A 33 -3.227 15.389 -2.257 1.00 0.00 C ATOM 513 O ASP A 33 -3.234 15.803 -3.418 1.00 0.00 O ATOM 514 CB ASP A 33 -1.117 15.708 -0.963 1.00 0.00 C ATOM 515 CG ASP A 33 -0.378 16.628 0.007 1.00 0.00 C ATOM 516 OD1 ASP A 33 -0.508 16.425 1.204 1.00 0.00 O ATOM 517 OD2 ASP A 33 0.307 17.522 -0.462 1.00 0.00 O ATOM 0 H ASP A 33 -3.176 15.188 0.594 1.00 0.00 H new ATOM 0 HA ASP A 33 -2.554 17.253 -1.425 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -1.116 14.686 -0.583 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -0.605 15.691 -1.925 1.00 0.00 H new ATOM 522 N GLY A 34 -3.791 14.233 -1.890 1.00 0.00 N ATOM 523 CA GLY A 34 -4.462 13.369 -2.866 1.00 0.00 C ATOM 524 C GLY A 34 -3.749 12.023 -2.992 1.00 0.00 C ATOM 525 O GLY A 34 -3.480 11.550 -4.097 1.00 0.00 O ATOM 0 H GLY A 34 -3.796 13.877 -0.934 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -5.497 13.209 -2.563 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -4.487 13.863 -3.837 1.00 0.00 H new ATOM 529 N CYS A 35 -3.448 11.413 -1.842 1.00 0.00 N ATOM 530 CA CYS A 35 -2.763 10.116 -1.819 1.00 0.00 C ATOM 531 C CYS A 35 -3.051 9.384 -0.508 1.00 0.00 C ATOM 532 O CYS A 35 -3.623 9.953 0.425 1.00 0.00 O ATOM 533 CB CYS A 35 -1.244 10.288 -1.969 1.00 0.00 C ATOM 534 SG CYS A 35 -0.750 11.957 -1.464 1.00 0.00 S ATOM 0 H CYS A 35 -3.666 11.792 -0.921 1.00 0.00 H new ATOM 0 HA CYS A 35 -3.139 9.532 -2.659 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -0.725 9.548 -1.360 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -0.951 10.112 -3.004 1.00 0.00 H new ATOM 0 HG CYS A 35 0.277 12.337 -2.165 1.00 0.00 H new ATOM 540 N ILE A 36 -2.639 8.114 -0.444 1.00 0.00 N ATOM 541 CA ILE A 36 -2.852 7.315 0.764 1.00 0.00 C ATOM 542 C ILE A 36 -1.541 7.172 1.539 1.00 0.00 C ATOM 543 O ILE A 36 -0.503 7.687 1.125 1.00 0.00 O ATOM 544 CB ILE A 36 -3.397 5.921 0.415 1.00 0.00 C ATOM 545 CG1 ILE A 36 -2.455 5.215 -0.568 1.00 0.00 C ATOM 546 CG2 ILE A 36 -4.785 6.053 -0.218 1.00 0.00 C ATOM 547 CD1 ILE A 36 -1.859 3.975 0.100 1.00 0.00 C ATOM 0 H ILE A 36 -2.164 7.624 -1.202 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.587 7.831 1.383 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.466 5.332 1.330 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.999 4.930 -1.469 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.659 5.893 -0.877 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.168 5.063 -0.464 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.461 6.539 0.485 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.715 6.651 -1.127 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.189 3.472 -0.598 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.301 4.273 0.988 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.661 3.295 0.387 1.00 0.00 H new ATOM 559 N SER A 37 -1.599 6.467 2.669 1.00 0.00 N ATOM 560 CA SER A 37 -0.411 6.260 3.489 1.00 0.00 C ATOM 561 C SER A 37 0.260 4.939 3.126 1.00 0.00 C ATOM 562 O SER A 37 -0.406 3.968 2.762 1.00 0.00 O ATOM 563 CB SER A 37 -0.774 6.245 4.976 1.00 0.00 C ATOM 564 OG SER A 37 0.407 6.405 5.752 1.00 0.00 O ATOM 0 H SER A 37 -2.448 6.034 3.033 1.00 0.00 H new ATOM 0 HA SER A 37 0.276 7.084 3.297 1.00 0.00 H new ATOM 0 HB2 SER A 37 -1.479 7.046 5.198 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.266 5.307 5.232 1.00 0.00 H new ATOM 0 HG SER A 37 0.176 6.397 6.704 1.00 0.00 H new ATOM 570 N THR A 38 1.586 4.914 3.245 1.00 0.00 N ATOM 571 CA THR A 38 2.351 3.702 2.940 1.00 0.00 C ATOM 572 C THR A 38 1.892 2.550 3.839 1.00 0.00 C ATOM 573 O THR A 38 1.707 1.425 3.377 1.00 0.00 O ATOM 574 CB THR A 38 3.854 3.937 3.140 1.00 0.00 C ATOM 575 OG1 THR A 38 4.075 4.599 4.379 1.00 0.00 O ATOM 576 CG2 THR A 38 4.393 4.797 1.996 1.00 0.00 C ATOM 0 H THR A 38 2.150 5.709 3.547 1.00 0.00 H new ATOM 0 HA THR A 38 2.173 3.445 1.896 1.00 0.00 H new ATOM 0 HB THR A 38 4.371 2.978 3.148 1.00 0.00 H new ATOM 0 HG1 THR A 38 5.036 4.746 4.505 1.00 0.00 H new ATOM 0 HG21 THR A 38 5.461 4.964 2.138 1.00 0.00 H new ATOM 0 HG22 THR A 38 4.229 4.285 1.048 1.00 0.00 H new ATOM 0 HG23 THR A 38 3.874 5.756 1.986 1.00 0.00 H new ATOM 584 N LYS A 39 1.694 2.855 5.127 1.00 0.00 N ATOM 585 CA LYS A 39 1.236 1.849 6.090 1.00 0.00 C ATOM 586 C LYS A 39 -0.241 1.488 5.856 1.00 0.00 C ATOM 587 O LYS A 39 -0.711 0.443 6.311 1.00 0.00 O ATOM 588 CB LYS A 39 1.415 2.363 7.526 1.00 0.00 C ATOM 589 CG LYS A 39 0.446 3.523 7.796 1.00 0.00 C ATOM 590 CD LYS A 39 1.067 4.484 8.815 1.00 0.00 C ATOM 591 CE LYS A 39 -0.038 5.295 9.497 1.00 0.00 C ATOM 592 NZ LYS A 39 -0.588 4.524 10.650 1.00 0.00 N ATOM 0 H LYS A 39 1.843 3.783 5.523 1.00 0.00 H new ATOM 0 HA LYS A 39 1.841 0.954 5.946 1.00 0.00 H new ATOM 0 HB2 LYS A 39 1.234 1.555 8.235 1.00 0.00 H new ATOM 0 HB3 LYS A 39 2.442 2.695 7.676 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.228 4.052 6.868 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -0.501 3.139 8.174 1.00 0.00 H new ATOM 0 HD2 LYS A 39 1.633 3.924 9.559 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.769 5.153 8.318 1.00 0.00 H new ATOM 0 HE2 LYS A 39 0.358 6.250 9.842 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -0.832 5.518 8.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -1.338 5.077 11.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -0.981 3.624 10.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 0.172 4.333 11.334 1.00 0.00 H new ATOM 606 N GLU A 40 -0.964 2.362 5.139 1.00 0.00 N ATOM 607 CA GLU A 40 -2.382 2.125 4.847 1.00 0.00 C ATOM 608 C GLU A 40 -2.566 1.135 3.686 1.00 0.00 C ATOM 609 O GLU A 40 -3.696 0.776 3.352 1.00 0.00 O ATOM 610 CB GLU A 40 -3.079 3.441 4.482 1.00 0.00 C ATOM 611 CG GLU A 40 -3.581 4.132 5.753 1.00 0.00 C ATOM 612 CD GLU A 40 -4.486 5.301 5.373 1.00 0.00 C ATOM 613 OE1 GLU A 40 -3.960 6.334 4.988 1.00 0.00 O ATOM 614 OE2 GLU A 40 -5.691 5.148 5.473 1.00 0.00 O ATOM 0 H GLU A 40 -0.593 3.231 4.755 1.00 0.00 H new ATOM 0 HA GLU A 40 -2.826 1.700 5.747 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -2.387 4.095 3.951 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -3.914 3.246 3.809 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -4.127 3.422 6.374 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -2.737 4.489 6.343 1.00 0.00 H new ATOM 621 N LEU A 41 -1.454 0.692 3.075 1.00 0.00 N ATOM 622 CA LEU A 41 -1.530 -0.262 1.963 1.00 0.00 C ATOM 623 C LEU A 41 -2.255 -1.537 2.396 1.00 0.00 C ATOM 624 O LEU A 41 -3.146 -2.024 1.705 1.00 0.00 O ATOM 625 CB LEU A 41 -0.129 -0.634 1.469 1.00 0.00 C ATOM 626 CG LEU A 41 -0.009 -0.869 -0.041 1.00 0.00 C ATOM 627 CD1 LEU A 41 1.391 -1.395 -0.367 1.00 0.00 C ATOM 628 CD2 LEU A 41 -1.057 -1.893 -0.489 1.00 0.00 C ATOM 0 H LEU A 41 -0.508 0.975 3.329 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.084 0.217 1.156 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.561 0.160 1.753 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.194 -1.537 1.988 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.176 0.071 -0.566 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.476 -1.562 -1.441 1.00 0.00 H new ATOM 0 HD12 LEU A 41 2.136 -0.664 -0.053 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.559 -2.334 0.161 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -0.969 -2.058 -1.563 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.895 -2.834 0.037 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.054 -1.517 -0.260 1.00 0.00 H new ATOM 640 N GLY A 42 -1.869 -2.067 3.558 1.00 0.00 N ATOM 641 CA GLY A 42 -2.498 -3.282 4.081 1.00 0.00 C ATOM 642 C GLY A 42 -3.996 -3.077 4.348 1.00 0.00 C ATOM 643 O GLY A 42 -4.750 -4.045 4.461 1.00 0.00 O ATOM 0 H GLY A 42 -1.133 -1.680 4.149 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -2.363 -4.097 3.369 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -2.001 -3.580 5.004 1.00 0.00 H new ATOM 647 N LYS A 43 -4.420 -1.809 4.445 1.00 0.00 N ATOM 648 CA LYS A 43 -5.826 -1.485 4.701 1.00 0.00 C ATOM 649 C LYS A 43 -6.633 -1.446 3.399 1.00 0.00 C ATOM 650 O LYS A 43 -7.817 -1.794 3.386 1.00 0.00 O ATOM 651 CB LYS A 43 -5.948 -0.121 5.393 1.00 0.00 C ATOM 652 CG LYS A 43 -5.120 -0.109 6.684 1.00 0.00 C ATOM 653 CD LYS A 43 -6.009 -0.484 7.872 1.00 0.00 C ATOM 654 CE LYS A 43 -6.495 0.788 8.572 1.00 0.00 C ATOM 655 NZ LYS A 43 -7.195 0.425 9.837 1.00 0.00 N ATOM 0 H LYS A 43 -3.811 -0.996 4.350 1.00 0.00 H new ATOM 0 HA LYS A 43 -6.224 -2.267 5.348 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.604 0.667 4.724 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -6.993 0.088 5.620 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -4.291 -0.812 6.602 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -4.686 0.879 6.840 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -6.861 -1.071 7.530 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -5.453 -1.107 8.573 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -5.650 1.443 8.787 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -7.169 1.341 7.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -7.525 1.290 10.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -8.010 -0.183 9.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -6.539 -0.085 10.463 1.00 0.00 H new ATOM 669 N VAL A 44 -5.989 -1.016 2.306 1.00 0.00 N ATOM 670 CA VAL A 44 -6.672 -0.934 1.012 1.00 0.00 C ATOM 671 C VAL A 44 -6.803 -2.319 0.371 1.00 0.00 C ATOM 672 O VAL A 44 -7.770 -2.588 -0.342 1.00 0.00 O ATOM 673 CB VAL A 44 -5.940 0.017 0.051 1.00 0.00 C ATOM 674 CG1 VAL A 44 -5.978 1.439 0.615 1.00 0.00 C ATOM 675 CG2 VAL A 44 -4.482 -0.416 -0.125 1.00 0.00 C ATOM 0 H VAL A 44 -5.012 -0.724 2.292 1.00 0.00 H new ATOM 0 HA VAL A 44 -7.669 -0.536 1.199 1.00 0.00 H new ATOM 0 HB VAL A 44 -6.438 -0.014 -0.918 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.459 2.114 -0.065 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -7.014 1.759 0.724 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -5.488 1.458 1.588 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.979 0.268 -0.808 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.978 -0.399 0.841 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -4.449 -1.426 -0.534 1.00 0.00 H new ATOM 685 N MET A 45 -5.828 -3.199 0.641 1.00 0.00 N ATOM 686 CA MET A 45 -5.861 -4.559 0.092 1.00 0.00 C ATOM 687 C MET A 45 -7.095 -5.309 0.593 1.00 0.00 C ATOM 688 O MET A 45 -7.696 -6.088 -0.143 1.00 0.00 O ATOM 689 CB MET A 45 -4.610 -5.358 0.492 1.00 0.00 C ATOM 690 CG MET A 45 -3.339 -4.572 0.150 1.00 0.00 C ATOM 691 SD MET A 45 -2.719 -5.100 -1.464 1.00 0.00 S ATOM 692 CE MET A 45 -4.068 -4.401 -2.443 1.00 0.00 C ATOM 0 H MET A 45 -5.019 -2.996 1.228 1.00 0.00 H new ATOM 0 HA MET A 45 -5.894 -4.465 -0.993 1.00 0.00 H new ATOM 0 HB2 MET A 45 -4.635 -5.573 1.560 1.00 0.00 H new ATOM 0 HB3 MET A 45 -4.602 -6.317 -0.027 1.00 0.00 H new ATOM 0 HG2 MET A 45 -3.552 -3.503 0.138 1.00 0.00 H new ATOM 0 HG3 MET A 45 -2.580 -4.737 0.915 1.00 0.00 H new ATOM 0 HE1 MET A 45 -3.713 -4.187 -3.451 1.00 0.00 H new ATOM 0 HE2 MET A 45 -4.890 -5.115 -2.492 1.00 0.00 H new ATOM 0 HE3 MET A 45 -4.416 -3.479 -1.977 1.00 0.00 H new ATOM 702 N ARG A 46 -7.465 -5.056 1.851 1.00 0.00 N ATOM 703 CA ARG A 46 -8.635 -5.708 2.451 1.00 0.00 C ATOM 704 C ARG A 46 -9.911 -5.360 1.679 1.00 0.00 C ATOM 705 O ARG A 46 -10.777 -6.212 1.479 1.00 0.00 O ATOM 706 CB ARG A 46 -8.804 -5.277 3.912 1.00 0.00 C ATOM 707 CG ARG A 46 -8.091 -6.276 4.827 1.00 0.00 C ATOM 708 CD ARG A 46 -8.473 -6.002 6.284 1.00 0.00 C ATOM 709 NE ARG A 46 -8.798 -7.252 6.980 1.00 0.00 N ATOM 710 CZ ARG A 46 -10.015 -7.811 6.906 1.00 0.00 C ATOM 711 NH1 ARG A 46 -10.971 -7.257 6.196 1.00 0.00 N ATOM 712 NH2 ARG A 46 -10.253 -8.927 7.551 1.00 0.00 N ATOM 0 H ARG A 46 -6.977 -4.410 2.471 1.00 0.00 H new ATOM 0 HA ARG A 46 -8.470 -6.784 2.405 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -8.393 -4.278 4.057 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -9.863 -5.226 4.167 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -8.366 -7.295 4.554 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -7.011 -6.193 4.702 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -7.650 -5.500 6.793 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -9.328 -5.327 6.320 1.00 0.00 H new ATOM 0 HE ARG A 46 -8.077 -7.710 7.537 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -10.793 -6.389 5.691 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -11.891 -7.695 6.150 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -9.515 -9.364 8.104 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -11.176 -9.359 7.500 1.00 0.00 H new ATOM 726 N MET A 47 -10.012 -4.099 1.248 1.00 0.00 N ATOM 727 CA MET A 47 -11.185 -3.641 0.497 1.00 0.00 C ATOM 728 C MET A 47 -11.117 -4.101 -0.962 1.00 0.00 C ATOM 729 O MET A 47 -12.142 -4.412 -1.571 1.00 0.00 O ATOM 730 CB MET A 47 -11.282 -2.113 0.535 1.00 0.00 C ATOM 731 CG MET A 47 -11.969 -1.674 1.831 1.00 0.00 C ATOM 732 SD MET A 47 -13.764 -1.815 1.639 1.00 0.00 S ATOM 733 CE MET A 47 -14.200 -1.605 3.383 1.00 0.00 C ATOM 0 H MET A 47 -9.303 -3.383 1.404 1.00 0.00 H new ATOM 0 HA MET A 47 -12.067 -4.076 0.967 1.00 0.00 H new ATOM 0 HB2 MET A 47 -10.286 -1.674 0.472 1.00 0.00 H new ATOM 0 HB3 MET A 47 -11.844 -1.753 -0.327 1.00 0.00 H new ATOM 0 HG2 MET A 47 -11.631 -2.293 2.662 1.00 0.00 H new ATOM 0 HG3 MET A 47 -11.697 -0.646 2.069 1.00 0.00 H new ATOM 0 HE1 MET A 47 -15.283 -1.659 3.496 1.00 0.00 H new ATOM 0 HE2 MET A 47 -13.734 -2.395 3.972 1.00 0.00 H new ATOM 0 HE3 MET A 47 -13.846 -0.635 3.732 1.00 0.00 H new ATOM 743 N LEU A 48 -9.899 -4.136 -1.514 1.00 0.00 N ATOM 744 CA LEU A 48 -9.700 -4.554 -2.904 1.00 0.00 C ATOM 745 C LEU A 48 -10.022 -6.041 -3.078 1.00 0.00 C ATOM 746 O LEU A 48 -10.761 -6.425 -3.988 1.00 0.00 O ATOM 747 CB LEU A 48 -8.250 -4.302 -3.323 1.00 0.00 C ATOM 748 CG LEU A 48 -7.942 -4.543 -4.803 1.00 0.00 C ATOM 749 CD1 LEU A 48 -8.098 -3.234 -5.582 1.00 0.00 C ATOM 750 CD2 LEU A 48 -6.505 -5.055 -4.938 1.00 0.00 C ATOM 0 H LEU A 48 -9.042 -3.882 -1.022 1.00 0.00 H new ATOM 0 HA LEU A 48 -10.373 -3.971 -3.532 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.993 -3.271 -3.079 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -7.601 -4.942 -2.725 1.00 0.00 H new ATOM 0 HG LEU A 48 -8.634 -5.282 -5.206 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -7.878 -3.409 -6.635 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -9.120 -2.870 -5.480 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -7.407 -2.490 -5.186 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -6.278 -5.229 -5.990 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -5.815 -4.313 -4.536 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -6.398 -5.988 -4.384 1.00 0.00 H new ATOM 762 N GLY A 49 -9.458 -6.869 -2.196 1.00 0.00 N ATOM 763 CA GLY A 49 -9.683 -8.316 -2.250 1.00 0.00 C ATOM 764 C GLY A 49 -8.386 -9.080 -1.980 1.00 0.00 C ATOM 765 O GLY A 49 -8.020 -9.989 -2.728 1.00 0.00 O ATOM 0 H GLY A 49 -8.845 -6.565 -1.439 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -10.436 -8.599 -1.515 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -10.075 -8.591 -3.229 1.00 0.00 H new ATOM 769 N GLN A 50 -7.699 -8.696 -0.900 1.00 0.00 N ATOM 770 CA GLN A 50 -6.438 -9.338 -0.520 1.00 0.00 C ATOM 771 C GLN A 50 -6.179 -9.149 0.976 1.00 0.00 C ATOM 772 O GLN A 50 -6.782 -8.286 1.619 1.00 0.00 O ATOM 773 CB GLN A 50 -5.269 -8.731 -1.307 1.00 0.00 C ATOM 774 CG GLN A 50 -5.003 -9.567 -2.563 1.00 0.00 C ATOM 775 CD GLN A 50 -3.581 -9.313 -3.057 1.00 0.00 C ATOM 776 OE1 GLN A 50 -3.162 -8.164 -3.202 1.00 0.00 O ATOM 777 NE2 GLN A 50 -2.806 -10.328 -3.330 1.00 0.00 N ATOM 0 H GLN A 50 -7.994 -7.946 -0.275 1.00 0.00 H new ATOM 0 HA GLN A 50 -6.516 -10.401 -0.748 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -5.500 -7.703 -1.585 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -4.376 -8.699 -0.683 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -5.138 -10.626 -2.342 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -5.721 -9.309 -3.342 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -3.152 -11.280 -3.210 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -1.855 -10.169 -3.663 1.00 0.00 H new ATOM 786 N ASN A 51 -5.272 -9.961 1.522 1.00 0.00 N ATOM 787 CA ASN A 51 -4.943 -9.870 2.945 1.00 0.00 C ATOM 788 C ASN A 51 -3.469 -10.223 3.184 1.00 0.00 C ATOM 789 O ASN A 51 -3.144 -11.319 3.648 1.00 0.00 O ATOM 790 CB ASN A 51 -5.843 -10.804 3.764 1.00 0.00 C ATOM 791 CG ASN A 51 -6.205 -10.134 5.088 1.00 0.00 C ATOM 792 OD1 ASN A 51 -7.278 -9.545 5.218 1.00 0.00 O ATOM 793 ND2 ASN A 51 -5.366 -10.188 6.087 1.00 0.00 N ATOM 0 H ASN A 51 -4.759 -10.679 1.010 1.00 0.00 H new ATOM 0 HA ASN A 51 -5.113 -8.843 3.267 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -6.748 -11.038 3.203 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -5.331 -11.748 3.950 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -5.600 -9.742 6.974 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -4.477 -10.676 5.980 1.00 0.00 H new ATOM 800 N PRO A 52 -2.563 -9.287 2.869 1.00 0.00 N ATOM 801 CA PRO A 52 -1.111 -9.491 3.052 1.00 0.00 C ATOM 802 C PRO A 52 -0.653 -9.227 4.490 1.00 0.00 C ATOM 803 O PRO A 52 -1.467 -9.095 5.405 1.00 0.00 O ATOM 804 CB PRO A 52 -0.518 -8.451 2.106 1.00 0.00 C ATOM 805 CG PRO A 52 -1.570 -7.368 1.917 1.00 0.00 C ATOM 806 CD PRO A 52 -2.927 -7.967 2.310 1.00 0.00 C ATOM 0 HA PRO A 52 -0.806 -10.518 2.850 1.00 0.00 H new ATOM 0 HB2 PRO A 52 0.398 -8.030 2.521 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -0.256 -8.905 1.150 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -1.341 -6.500 2.535 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -1.587 -7.027 0.882 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -3.444 -7.348 3.043 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -3.590 -8.063 1.450 1.00 0.00 H new ATOM 814 N THR A 53 0.665 -9.143 4.663 1.00 0.00 N ATOM 815 CA THR A 53 1.254 -8.881 5.978 1.00 0.00 C ATOM 816 C THR A 53 1.920 -7.501 5.970 1.00 0.00 C ATOM 817 O THR A 53 2.051 -6.879 4.913 1.00 0.00 O ATOM 818 CB THR A 53 2.301 -9.959 6.333 1.00 0.00 C ATOM 819 OG1 THR A 53 3.564 -9.612 5.778 1.00 0.00 O ATOM 820 CG2 THR A 53 1.865 -11.317 5.781 1.00 0.00 C ATOM 0 H THR A 53 1.346 -9.252 3.911 1.00 0.00 H new ATOM 0 HA THR A 53 0.463 -8.907 6.727 1.00 0.00 H new ATOM 0 HB THR A 53 2.384 -10.019 7.418 1.00 0.00 H new ATOM 0 HG1 THR A 53 4.223 -10.300 6.009 1.00 0.00 H new ATOM 0 HG21 THR A 53 2.610 -12.070 6.037 1.00 0.00 H new ATOM 0 HG22 THR A 53 0.905 -11.595 6.215 1.00 0.00 H new ATOM 0 HG23 THR A 53 1.769 -11.255 4.697 1.00 0.00 H new ATOM 828 N PRO A 54 2.365 -7.013 7.135 1.00 0.00 N ATOM 829 CA PRO A 54 3.036 -5.698 7.223 1.00 0.00 C ATOM 830 C PRO A 54 4.431 -5.715 6.601 1.00 0.00 C ATOM 831 O PRO A 54 4.909 -4.699 6.097 1.00 0.00 O ATOM 832 CB PRO A 54 3.091 -5.452 8.726 1.00 0.00 C ATOM 833 CG PRO A 54 2.990 -6.814 9.397 1.00 0.00 C ATOM 834 CD PRO A 54 2.247 -7.731 8.423 1.00 0.00 C ATOM 0 HA PRO A 54 2.512 -4.916 6.673 1.00 0.00 H new ATOM 0 HB2 PRO A 54 4.020 -4.952 9.002 1.00 0.00 H new ATOM 0 HB3 PRO A 54 2.274 -4.804 9.042 1.00 0.00 H new ATOM 0 HG2 PRO A 54 3.981 -7.209 9.621 1.00 0.00 H new ATOM 0 HG3 PRO A 54 2.455 -6.740 10.344 1.00 0.00 H new ATOM 0 HD2 PRO A 54 2.700 -8.721 8.376 1.00 0.00 H new ATOM 0 HD3 PRO A 54 1.206 -7.870 8.714 1.00 0.00 H new ATOM 842 N GLU A 55 5.062 -6.894 6.618 1.00 0.00 N ATOM 843 CA GLU A 55 6.392 -7.056 6.030 1.00 0.00 C ATOM 844 C GLU A 55 6.266 -7.228 4.516 1.00 0.00 C ATOM 845 O GLU A 55 7.087 -6.720 3.750 1.00 0.00 O ATOM 846 CB GLU A 55 7.103 -8.286 6.610 1.00 0.00 C ATOM 847 CG GLU A 55 6.927 -8.325 8.131 1.00 0.00 C ATOM 848 CD GLU A 55 8.272 -8.594 8.798 1.00 0.00 C ATOM 849 OE1 GLU A 55 9.012 -7.644 8.998 1.00 0.00 O ATOM 850 OE2 GLU A 55 8.544 -9.745 9.101 1.00 0.00 O ATOM 0 H GLU A 55 4.675 -7.743 7.030 1.00 0.00 H new ATOM 0 HA GLU A 55 6.977 -6.166 6.263 1.00 0.00 H new ATOM 0 HB2 GLU A 55 6.697 -9.194 6.165 1.00 0.00 H new ATOM 0 HB3 GLU A 55 8.163 -8.255 6.359 1.00 0.00 H new ATOM 0 HG2 GLU A 55 6.518 -7.378 8.484 1.00 0.00 H new ATOM 0 HG3 GLU A 55 6.213 -9.102 8.404 1.00 0.00 H new ATOM 857 N GLU A 56 5.218 -7.949 4.099 1.00 0.00 N ATOM 858 CA GLU A 56 4.972 -8.186 2.676 1.00 0.00 C ATOM 859 C GLU A 56 4.684 -6.866 1.958 1.00 0.00 C ATOM 860 O GLU A 56 5.389 -6.496 1.022 1.00 0.00 O ATOM 861 CB GLU A 56 3.788 -9.142 2.480 1.00 0.00 C ATOM 862 CG GLU A 56 4.004 -9.981 1.216 1.00 0.00 C ATOM 863 CD GLU A 56 3.680 -9.144 -0.020 1.00 0.00 C ATOM 864 OE1 GLU A 56 2.506 -8.945 -0.285 1.00 0.00 O ATOM 865 OE2 GLU A 56 4.612 -8.717 -0.682 1.00 0.00 O ATOM 0 H GLU A 56 4.533 -8.375 4.723 1.00 0.00 H new ATOM 0 HA GLU A 56 5.867 -8.640 2.252 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.687 -9.794 3.348 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.861 -8.575 2.398 1.00 0.00 H new ATOM 0 HG2 GLU A 56 5.036 -10.329 1.171 1.00 0.00 H new ATOM 0 HG3 GLU A 56 3.370 -10.867 1.243 1.00 0.00 H new ATOM 872 N LEU A 57 3.644 -6.156 2.410 1.00 0.00 N ATOM 873 CA LEU A 57 3.284 -4.871 1.798 1.00 0.00 C ATOM 874 C LEU A 57 4.432 -3.853 1.905 1.00 0.00 C ATOM 875 O LEU A 57 4.499 -2.904 1.120 1.00 0.00 O ATOM 876 CB LEU A 57 2.031 -4.288 2.464 1.00 0.00 C ATOM 877 CG LEU A 57 2.176 -3.924 3.948 1.00 0.00 C ATOM 878 CD1 LEU A 57 2.590 -2.457 4.084 1.00 0.00 C ATOM 879 CD2 LEU A 57 0.835 -4.141 4.653 1.00 0.00 C ATOM 0 H LEU A 57 3.045 -6.443 3.184 1.00 0.00 H new ATOM 0 HA LEU A 57 3.084 -5.062 0.744 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.733 -3.394 1.917 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.219 -5.008 2.363 1.00 0.00 H new ATOM 0 HG LEU A 57 2.939 -4.556 4.403 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.691 -2.204 5.139 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.544 -2.300 3.580 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.830 -1.821 3.630 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.933 -3.884 5.708 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.076 -3.508 4.194 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.540 -5.186 4.560 1.00 0.00 H new ATOM 891 N GLN A 58 5.327 -4.052 2.885 1.00 0.00 N ATOM 892 CA GLN A 58 6.459 -3.138 3.084 1.00 0.00 C ATOM 893 C GLN A 58 7.356 -3.067 1.845 1.00 0.00 C ATOM 894 O GLN A 58 7.656 -1.978 1.354 1.00 0.00 O ATOM 895 CB GLN A 58 7.307 -3.577 4.283 1.00 0.00 C ATOM 896 CG GLN A 58 8.162 -2.400 4.766 1.00 0.00 C ATOM 897 CD GLN A 58 7.257 -1.312 5.342 1.00 0.00 C ATOM 898 OE1 GLN A 58 6.851 -0.339 4.570 1.00 0.00 O flip ATOM 899 NE2 GLN A 58 6.908 -1.345 6.522 1.00 0.00 N flip ATOM 0 H GLN A 58 5.289 -4.829 3.545 1.00 0.00 H new ATOM 0 HA GLN A 58 6.037 -2.150 3.270 1.00 0.00 H new ATOM 0 HB2 GLN A 58 6.662 -3.926 5.089 1.00 0.00 H new ATOM 0 HB3 GLN A 58 7.947 -4.413 4.002 1.00 0.00 H new ATOM 0 HG2 GLN A 58 8.869 -2.738 5.524 1.00 0.00 H new ATOM 0 HG3 GLN A 58 8.748 -2.000 3.939 1.00 0.00 H new ATOM 0 HE21 GLN A 58 7.224 -2.104 7.126 1.00 0.00 H new ATOM 0 HE22 GLN A 58 6.303 -0.614 6.896 1.00 0.00 H new ATOM 908 N GLU A 59 7.788 -4.236 1.352 1.00 0.00 N ATOM 909 CA GLU A 59 8.662 -4.283 0.170 1.00 0.00 C ATOM 910 C GLU A 59 8.010 -3.591 -1.031 1.00 0.00 C ATOM 911 O GLU A 59 8.704 -3.028 -1.880 1.00 0.00 O ATOM 912 CB GLU A 59 9.015 -5.734 -0.198 1.00 0.00 C ATOM 913 CG GLU A 59 7.790 -6.452 -0.780 1.00 0.00 C ATOM 914 CD GLU A 59 7.794 -7.919 -0.353 1.00 0.00 C ATOM 915 OE1 GLU A 59 7.775 -8.173 0.841 1.00 0.00 O ATOM 916 OE2 GLU A 59 7.809 -8.769 -1.228 1.00 0.00 O ATOM 0 H GLU A 59 7.552 -5.147 1.745 1.00 0.00 H new ATOM 0 HA GLU A 59 9.578 -3.750 0.425 1.00 0.00 H new ATOM 0 HB2 GLU A 59 9.829 -5.744 -0.923 1.00 0.00 H new ATOM 0 HB3 GLU A 59 9.369 -6.264 0.686 1.00 0.00 H new ATOM 0 HG2 GLU A 59 6.876 -5.967 -0.436 1.00 0.00 H new ATOM 0 HG3 GLU A 59 7.799 -6.381 -1.868 1.00 0.00 H new ATOM 923 N MET A 60 6.673 -3.625 -1.090 1.00 0.00 N ATOM 924 CA MET A 60 5.951 -2.982 -2.187 1.00 0.00 C ATOM 925 C MET A 60 6.074 -1.465 -2.078 1.00 0.00 C ATOM 926 O MET A 60 6.360 -0.790 -3.062 1.00 0.00 O ATOM 927 CB MET A 60 4.469 -3.368 -2.169 1.00 0.00 C ATOM 928 CG MET A 60 4.312 -4.817 -2.636 1.00 0.00 C ATOM 929 SD MET A 60 2.631 -5.075 -3.253 1.00 0.00 S ATOM 930 CE MET A 60 2.390 -6.730 -2.563 1.00 0.00 C ATOM 0 H MET A 60 6.079 -4.085 -0.400 1.00 0.00 H new ATOM 0 HA MET A 60 6.393 -3.322 -3.124 1.00 0.00 H new ATOM 0 HB2 MET A 60 4.065 -3.253 -1.163 1.00 0.00 H new ATOM 0 HB3 MET A 60 3.901 -2.702 -2.819 1.00 0.00 H new ATOM 0 HG2 MET A 60 5.036 -5.038 -3.420 1.00 0.00 H new ATOM 0 HG3 MET A 60 4.517 -5.500 -1.812 1.00 0.00 H new ATOM 0 HE1 MET A 60 1.403 -7.100 -2.841 1.00 0.00 H new ATOM 0 HE2 MET A 60 3.154 -7.402 -2.955 1.00 0.00 H new ATOM 0 HE3 MET A 60 2.468 -6.686 -1.477 1.00 0.00 H new ATOM 940 N ILE A 61 5.858 -0.943 -0.865 1.00 0.00 N ATOM 941 CA ILE A 61 5.946 0.496 -0.618 1.00 0.00 C ATOM 942 C ILE A 61 7.291 1.059 -1.084 1.00 0.00 C ATOM 943 O ILE A 61 7.351 1.848 -2.024 1.00 0.00 O ATOM 944 CB ILE A 61 5.776 0.768 0.880 1.00 0.00 C ATOM 945 CG1 ILE A 61 4.323 0.501 1.270 1.00 0.00 C ATOM 946 CG2 ILE A 61 6.142 2.219 1.198 1.00 0.00 C ATOM 947 CD1 ILE A 61 4.276 -0.080 2.680 1.00 0.00 C ATOM 0 H ILE A 61 5.621 -1.497 -0.042 1.00 0.00 H new ATOM 0 HA ILE A 61 5.154 0.987 -1.183 1.00 0.00 H new ATOM 0 HB ILE A 61 6.437 0.112 1.446 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.747 1.426 1.226 1.00 0.00 H new ATOM 0 HG13 ILE A 61 3.867 -0.192 0.564 1.00 0.00 H new ATOM 0 HG21 ILE A 61 6.017 2.400 2.266 1.00 0.00 H new ATOM 0 HG22 ILE A 61 7.179 2.402 0.918 1.00 0.00 H new ATOM 0 HG23 ILE A 61 5.491 2.890 0.638 1.00 0.00 H new ATOM 0 HD11 ILE A 61 3.240 -0.271 2.960 1.00 0.00 H new ATOM 0 HD12 ILE A 61 4.838 -1.014 2.708 1.00 0.00 H new ATOM 0 HD13 ILE A 61 4.716 0.629 3.381 1.00 0.00 H new ATOM 959 N ASP A 62 8.361 0.655 -0.398 1.00 0.00 N ATOM 960 CA ASP A 62 9.712 1.128 -0.721 1.00 0.00 C ATOM 961 C ASP A 62 10.025 1.001 -2.220 1.00 0.00 C ATOM 962 O ASP A 62 10.706 1.855 -2.790 1.00 0.00 O ATOM 963 CB ASP A 62 10.753 0.328 0.071 1.00 0.00 C ATOM 964 CG ASP A 62 10.579 0.595 1.566 1.00 0.00 C ATOM 965 OD1 ASP A 62 11.137 1.571 2.043 1.00 0.00 O ATOM 966 OD2 ASP A 62 9.891 -0.180 2.211 1.00 0.00 O ATOM 0 H ASP A 62 8.321 0.002 0.384 1.00 0.00 H new ATOM 0 HA ASP A 62 9.755 2.183 -0.449 1.00 0.00 H new ATOM 0 HB2 ASP A 62 10.640 -0.737 -0.134 1.00 0.00 H new ATOM 0 HB3 ASP A 62 11.758 0.609 -0.244 1.00 0.00 H new ATOM 971 N GLU A 63 9.535 -0.075 -2.847 1.00 0.00 N ATOM 972 CA GLU A 63 9.789 -0.301 -4.277 1.00 0.00 C ATOM 973 C GLU A 63 8.952 0.625 -5.170 1.00 0.00 C ATOM 974 O GLU A 63 9.474 1.227 -6.110 1.00 0.00 O ATOM 975 CB GLU A 63 9.480 -1.754 -4.655 1.00 0.00 C ATOM 976 CG GLU A 63 10.677 -2.647 -4.304 1.00 0.00 C ATOM 977 CD GLU A 63 11.341 -3.144 -5.586 1.00 0.00 C ATOM 978 OE1 GLU A 63 10.904 -4.159 -6.100 1.00 0.00 O ATOM 979 OE2 GLU A 63 12.278 -2.503 -6.034 1.00 0.00 O ATOM 0 H GLU A 63 8.969 -0.794 -2.396 1.00 0.00 H new ATOM 0 HA GLU A 63 10.844 -0.082 -4.443 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.591 -2.096 -4.125 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.262 -1.824 -5.721 1.00 0.00 H new ATOM 0 HG2 GLU A 63 11.396 -2.089 -3.703 1.00 0.00 H new ATOM 0 HG3 GLU A 63 10.347 -3.494 -3.702 1.00 0.00 H new ATOM 986 N VAL A 64 7.647 0.712 -4.889 1.00 0.00 N ATOM 987 CA VAL A 64 6.742 1.544 -5.700 1.00 0.00 C ATOM 988 C VAL A 64 6.926 3.042 -5.436 1.00 0.00 C ATOM 989 O VAL A 64 6.658 3.861 -6.316 1.00 0.00 O ATOM 990 CB VAL A 64 5.272 1.175 -5.450 1.00 0.00 C ATOM 991 CG1 VAL A 64 5.077 -0.335 -5.625 1.00 0.00 C ATOM 992 CG2 VAL A 64 4.860 1.587 -4.031 1.00 0.00 C ATOM 0 H VAL A 64 7.195 0.224 -4.116 1.00 0.00 H new ATOM 0 HA VAL A 64 7.003 1.342 -6.739 1.00 0.00 H new ATOM 0 HB VAL A 64 4.648 1.705 -6.170 1.00 0.00 H new ATOM 0 HG11 VAL A 64 4.032 -0.590 -5.446 1.00 0.00 H new ATOM 0 HG12 VAL A 64 5.352 -0.622 -6.640 1.00 0.00 H new ATOM 0 HG13 VAL A 64 5.708 -0.868 -4.913 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.816 1.321 -3.864 1.00 0.00 H new ATOM 0 HG22 VAL A 64 5.487 1.069 -3.305 1.00 0.00 H new ATOM 0 HG23 VAL A 64 4.983 2.664 -3.914 1.00 0.00 H new ATOM 1002 N ASP A 65 7.371 3.398 -4.225 1.00 0.00 N ATOM 1003 CA ASP A 65 7.569 4.807 -3.883 1.00 0.00 C ATOM 1004 C ASP A 65 8.795 5.348 -4.620 1.00 0.00 C ATOM 1005 O ASP A 65 9.890 5.449 -4.061 1.00 0.00 O ATOM 1006 CB ASP A 65 7.751 4.982 -2.367 1.00 0.00 C ATOM 1007 CG ASP A 65 6.989 6.220 -1.885 1.00 0.00 C ATOM 1008 OD1 ASP A 65 7.158 7.272 -2.481 1.00 0.00 O ATOM 1009 OD2 ASP A 65 6.245 6.095 -0.927 1.00 0.00 O ATOM 0 H ASP A 65 7.597 2.741 -3.478 1.00 0.00 H new ATOM 0 HA ASP A 65 6.684 5.365 -4.188 1.00 0.00 H new ATOM 0 HB2 ASP A 65 7.389 4.096 -1.845 1.00 0.00 H new ATOM 0 HB3 ASP A 65 8.810 5.082 -2.129 1.00 0.00 H new ATOM 1014 N GLU A 66 8.590 5.680 -5.896 1.00 0.00 N ATOM 1015 CA GLU A 66 9.670 6.199 -6.744 1.00 0.00 C ATOM 1016 C GLU A 66 10.223 7.515 -6.190 1.00 0.00 C ATOM 1017 O GLU A 66 11.429 7.767 -6.250 1.00 0.00 O ATOM 1018 CB GLU A 66 9.160 6.433 -8.169 1.00 0.00 C ATOM 1019 CG GLU A 66 8.917 5.085 -8.856 1.00 0.00 C ATOM 1020 CD GLU A 66 8.211 5.309 -10.191 1.00 0.00 C ATOM 1021 OE1 GLU A 66 8.900 5.505 -11.179 1.00 0.00 O ATOM 1022 OE2 GLU A 66 6.991 5.279 -10.205 1.00 0.00 O ATOM 0 H GLU A 66 7.688 5.600 -6.366 1.00 0.00 H new ATOM 0 HA GLU A 66 10.468 5.456 -6.754 1.00 0.00 H new ATOM 0 HB2 GLU A 66 8.237 7.012 -8.145 1.00 0.00 H new ATOM 0 HB3 GLU A 66 9.887 7.015 -8.735 1.00 0.00 H new ATOM 0 HG2 GLU A 66 9.865 4.571 -9.016 1.00 0.00 H new ATOM 0 HG3 GLU A 66 8.311 4.444 -8.216 1.00 0.00 H new ATOM 1029 N ASP A 67 9.329 8.351 -5.656 1.00 0.00 N ATOM 1030 CA ASP A 67 9.736 9.645 -5.096 1.00 0.00 C ATOM 1031 C ASP A 67 10.270 9.484 -3.668 1.00 0.00 C ATOM 1032 O ASP A 67 11.252 10.124 -3.289 1.00 0.00 O ATOM 1033 CB ASP A 67 8.563 10.642 -5.103 1.00 0.00 C ATOM 1034 CG ASP A 67 7.305 9.999 -4.511 1.00 0.00 C ATOM 1035 OD1 ASP A 67 6.614 9.307 -5.242 1.00 0.00 O ATOM 1036 OD2 ASP A 67 7.050 10.213 -3.339 1.00 0.00 O ATOM 0 H ASP A 67 8.329 8.159 -5.599 1.00 0.00 H new ATOM 0 HA ASP A 67 10.534 10.037 -5.726 1.00 0.00 H new ATOM 0 HB2 ASP A 67 8.829 11.529 -4.528 1.00 0.00 H new ATOM 0 HB3 ASP A 67 8.364 10.971 -6.123 1.00 0.00 H new ATOM 1041 N GLY A 68 9.614 8.624 -2.881 1.00 0.00 N ATOM 1042 CA GLY A 68 10.032 8.384 -1.500 1.00 0.00 C ATOM 1043 C GLY A 68 9.669 9.566 -0.609 1.00 0.00 C ATOM 1044 O GLY A 68 10.519 10.119 0.087 1.00 0.00 O ATOM 0 H GLY A 68 8.798 8.088 -3.176 1.00 0.00 H new ATOM 0 HA2 GLY A 68 9.555 7.479 -1.123 1.00 0.00 H new ATOM 0 HA3 GLY A 68 11.108 8.215 -1.466 1.00 0.00 H new ATOM 1048 N SER A 69 8.391 9.946 -0.647 1.00 0.00 N ATOM 1049 CA SER A 69 7.910 11.068 0.154 1.00 0.00 C ATOM 1050 C SER A 69 7.334 10.578 1.484 1.00 0.00 C ATOM 1051 O SER A 69 7.712 11.056 2.555 1.00 0.00 O ATOM 1052 CB SER A 69 6.829 11.847 -0.606 1.00 0.00 C ATOM 1053 OG SER A 69 5.747 10.975 -0.925 1.00 0.00 O ATOM 0 H SER A 69 7.677 9.496 -1.220 1.00 0.00 H new ATOM 0 HA SER A 69 8.758 11.723 0.351 1.00 0.00 H new ATOM 0 HB2 SER A 69 6.472 12.679 0.000 1.00 0.00 H new ATOM 0 HB3 SER A 69 7.247 12.273 -1.518 1.00 0.00 H new ATOM 0 HG SER A 69 5.925 10.532 -1.781 1.00 0.00 H new ATOM 1059 N GLY A 70 6.405 9.625 1.392 1.00 0.00 N ATOM 1060 CA GLY A 70 5.753 9.067 2.577 1.00 0.00 C ATOM 1061 C GLY A 70 4.345 8.581 2.232 1.00 0.00 C ATOM 1062 O GLY A 70 3.846 7.620 2.820 1.00 0.00 O ATOM 0 H GLY A 70 6.088 9.224 0.510 1.00 0.00 H new ATOM 0 HA2 GLY A 70 6.344 8.240 2.969 1.00 0.00 H new ATOM 0 HA3 GLY A 70 5.702 9.822 3.361 1.00 0.00 H new ATOM 1066 N THR A 71 3.715 9.259 1.265 1.00 0.00 N ATOM 1067 CA THR A 71 2.367 8.898 0.829 1.00 0.00 C ATOM 1068 C THR A 71 2.437 8.088 -0.467 1.00 0.00 C ATOM 1069 O THR A 71 3.421 8.162 -1.207 1.00 0.00 O ATOM 1070 CB THR A 71 1.522 10.156 0.588 1.00 0.00 C ATOM 1071 OG1 THR A 71 2.085 10.910 -0.480 1.00 0.00 O ATOM 1072 CG2 THR A 71 1.499 11.011 1.857 1.00 0.00 C ATOM 0 H THR A 71 4.118 10.057 0.773 1.00 0.00 H new ATOM 0 HA THR A 71 1.903 8.301 1.614 1.00 0.00 H new ATOM 0 HB THR A 71 0.504 9.862 0.330 1.00 0.00 H new ATOM 0 HG1 THR A 71 1.369 11.360 -0.976 1.00 0.00 H new ATOM 0 HG21 THR A 71 0.898 11.904 1.683 1.00 0.00 H new ATOM 0 HG22 THR A 71 1.066 10.436 2.675 1.00 0.00 H new ATOM 0 HG23 THR A 71 2.516 11.303 2.117 1.00 0.00 H new ATOM 1080 N VAL A 72 1.382 7.319 -0.734 1.00 0.00 N ATOM 1081 CA VAL A 72 1.335 6.503 -1.945 1.00 0.00 C ATOM 1082 C VAL A 72 0.325 7.077 -2.931 1.00 0.00 C ATOM 1083 O VAL A 72 -0.883 7.069 -2.684 1.00 0.00 O ATOM 1084 CB VAL A 72 0.950 5.057 -1.618 1.00 0.00 C ATOM 1085 CG1 VAL A 72 1.094 4.192 -2.874 1.00 0.00 C ATOM 1086 CG2 VAL A 72 1.869 4.516 -0.518 1.00 0.00 C ATOM 0 H VAL A 72 0.559 7.244 -0.136 1.00 0.00 H new ATOM 0 HA VAL A 72 2.330 6.513 -2.391 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.084 5.028 -1.273 1.00 0.00 H new ATOM 0 HG11 VAL A 72 0.820 3.163 -2.641 1.00 0.00 H new ATOM 0 HG12 VAL A 72 0.438 4.574 -3.656 1.00 0.00 H new ATOM 0 HG13 VAL A 72 2.127 4.223 -3.220 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.593 3.487 -0.287 1.00 0.00 H new ATOM 0 HG22 VAL A 72 2.903 4.546 -0.860 1.00 0.00 H new ATOM 0 HG23 VAL A 72 1.765 5.129 0.377 1.00 0.00 H new ATOM 1096 N ASP A 73 0.837 7.561 -4.061 1.00 0.00 N ATOM 1097 CA ASP A 73 -0.019 8.125 -5.100 1.00 0.00 C ATOM 1098 C ASP A 73 -0.520 7.008 -6.014 1.00 0.00 C ATOM 1099 O ASP A 73 -0.171 5.840 -5.833 1.00 0.00 O ATOM 1100 CB ASP A 73 0.752 9.156 -5.934 1.00 0.00 C ATOM 1101 CG ASP A 73 1.106 10.357 -5.060 1.00 0.00 C ATOM 1102 OD1 ASP A 73 0.296 11.267 -4.982 1.00 0.00 O ATOM 1103 OD2 ASP A 73 2.181 10.349 -4.481 1.00 0.00 O ATOM 0 H ASP A 73 1.833 7.574 -4.279 1.00 0.00 H new ATOM 0 HA ASP A 73 -0.865 8.620 -4.622 1.00 0.00 H new ATOM 0 HB2 ASP A 73 1.659 8.707 -6.338 1.00 0.00 H new ATOM 0 HB3 ASP A 73 0.149 9.476 -6.784 1.00 0.00 H new ATOM 1108 N PHE A 74 -1.341 7.377 -6.997 1.00 0.00 N ATOM 1109 CA PHE A 74 -1.883 6.390 -7.935 1.00 0.00 C ATOM 1110 C PHE A 74 -0.773 5.795 -8.806 1.00 0.00 C ATOM 1111 O PHE A 74 -0.862 4.643 -9.233 1.00 0.00 O ATOM 1112 CB PHE A 74 -2.940 7.028 -8.837 1.00 0.00 C ATOM 1113 CG PHE A 74 -3.833 5.951 -9.400 1.00 0.00 C ATOM 1114 CD1 PHE A 74 -4.451 5.035 -8.541 1.00 0.00 C ATOM 1115 CD2 PHE A 74 -4.043 5.869 -10.779 1.00 0.00 C ATOM 1116 CE1 PHE A 74 -5.280 4.037 -9.061 1.00 0.00 C ATOM 1117 CE2 PHE A 74 -4.874 4.872 -11.301 1.00 0.00 C ATOM 1118 CZ PHE A 74 -5.494 3.956 -10.443 1.00 0.00 C ATOM 0 H PHE A 74 -1.643 8.337 -7.165 1.00 0.00 H new ATOM 0 HA PHE A 74 -2.340 5.594 -7.347 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -3.532 7.747 -8.270 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -2.460 7.578 -9.646 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -4.287 5.099 -7.475 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -3.564 6.575 -11.441 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -5.755 3.329 -8.398 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -5.037 4.809 -12.367 1.00 0.00 H new ATOM 0 HZ PHE A 74 -6.137 3.187 -10.846 1.00 0.00 H new ATOM 1128 N ASP A 75 0.281 6.584 -9.049 1.00 0.00 N ATOM 1129 CA ASP A 75 1.411 6.117 -9.847 1.00 0.00 C ATOM 1130 C ASP A 75 2.119 4.978 -9.115 1.00 0.00 C ATOM 1131 O ASP A 75 2.531 3.992 -9.724 1.00 0.00 O ATOM 1132 CB ASP A 75 2.406 7.258 -10.084 1.00 0.00 C ATOM 1133 CG ASP A 75 1.769 8.322 -10.973 1.00 0.00 C ATOM 1134 OD1 ASP A 75 1.883 8.203 -12.183 1.00 0.00 O ATOM 1135 OD2 ASP A 75 1.175 9.242 -10.431 1.00 0.00 O ATOM 0 H ASP A 75 0.371 7.540 -8.706 1.00 0.00 H new ATOM 0 HA ASP A 75 1.037 5.765 -10.808 1.00 0.00 H new ATOM 0 HB2 ASP A 75 2.704 7.697 -9.132 1.00 0.00 H new ATOM 0 HB3 ASP A 75 3.311 6.872 -10.554 1.00 0.00 H new ATOM 1140 N GLU A 76 2.225 5.126 -7.789 1.00 0.00 N ATOM 1141 CA GLU A 76 2.853 4.108 -6.945 1.00 0.00 C ATOM 1142 C GLU A 76 1.864 2.966 -6.686 1.00 0.00 C ATOM 1143 O GLU A 76 2.259 1.826 -6.435 1.00 0.00 O ATOM 1144 CB GLU A 76 3.283 4.707 -5.598 1.00 0.00 C ATOM 1145 CG GLU A 76 3.947 6.072 -5.822 1.00 0.00 C ATOM 1146 CD GLU A 76 4.157 6.787 -4.483 1.00 0.00 C ATOM 1147 OE1 GLU A 76 4.493 6.124 -3.514 1.00 0.00 O ATOM 1148 OE2 GLU A 76 3.976 7.992 -4.448 1.00 0.00 O ATOM 0 H GLU A 76 1.884 5.941 -7.280 1.00 0.00 H new ATOM 0 HA GLU A 76 3.733 3.731 -7.465 1.00 0.00 H new ATOM 0 HB2 GLU A 76 2.417 4.817 -4.946 1.00 0.00 H new ATOM 0 HB3 GLU A 76 3.977 4.033 -5.095 1.00 0.00 H new ATOM 0 HG2 GLU A 76 4.905 5.940 -6.326 1.00 0.00 H new ATOM 0 HG3 GLU A 76 3.325 6.684 -6.475 1.00 0.00 H new ATOM 1155 N PHE A 77 0.569 3.298 -6.756 1.00 0.00 N ATOM 1156 CA PHE A 77 -0.497 2.322 -6.539 1.00 0.00 C ATOM 1157 C PHE A 77 -0.596 1.349 -7.723 1.00 0.00 C ATOM 1158 O PHE A 77 -0.877 0.163 -7.544 1.00 0.00 O ATOM 1159 CB PHE A 77 -1.834 3.058 -6.364 1.00 0.00 C ATOM 1160 CG PHE A 77 -2.869 2.139 -5.763 1.00 0.00 C ATOM 1161 CD1 PHE A 77 -2.759 1.726 -4.428 1.00 0.00 C ATOM 1162 CD2 PHE A 77 -3.946 1.706 -6.544 1.00 0.00 C ATOM 1163 CE1 PHE A 77 -3.727 0.878 -3.878 1.00 0.00 C ATOM 1164 CE2 PHE A 77 -4.913 0.858 -5.993 1.00 0.00 C ATOM 1165 CZ PHE A 77 -4.804 0.443 -4.661 1.00 0.00 C ATOM 0 H PHE A 77 0.237 4.240 -6.962 1.00 0.00 H new ATOM 0 HA PHE A 77 -0.268 1.749 -5.640 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -1.695 3.928 -5.722 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -2.182 3.426 -7.329 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -1.928 2.062 -3.825 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -4.031 2.026 -7.572 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -3.644 0.559 -2.850 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -5.744 0.523 -6.596 1.00 0.00 H new ATOM 0 HZ PHE A 77 -5.550 -0.213 -4.237 1.00 0.00 H new ATOM 1175 N LEU A 78 -0.369 1.873 -8.934 1.00 0.00 N ATOM 1176 CA LEU A 78 -0.438 1.057 -10.151 1.00 0.00 C ATOM 1177 C LEU A 78 0.842 0.242 -10.356 1.00 0.00 C ATOM 1178 O LEU A 78 0.778 -0.925 -10.734 1.00 0.00 O ATOM 1179 CB LEU A 78 -0.655 1.952 -11.377 1.00 0.00 C ATOM 1180 CG LEU A 78 -2.044 2.599 -11.500 1.00 0.00 C ATOM 1181 CD1 LEU A 78 -2.383 2.801 -12.978 1.00 0.00 C ATOM 1182 CD2 LEU A 78 -3.100 1.698 -10.854 1.00 0.00 C ATOM 0 H LEU A 78 -0.137 2.853 -9.096 1.00 0.00 H new ATOM 0 HA LEU A 78 -1.276 0.370 -10.034 1.00 0.00 H new ATOM 0 HB2 LEU A 78 0.093 2.744 -11.361 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -0.472 1.359 -12.273 1.00 0.00 H new ATOM 0 HG LEU A 78 -2.036 3.562 -10.990 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -3.368 3.260 -13.066 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.638 3.451 -13.437 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -2.385 1.837 -13.486 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -4.081 2.164 -10.946 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.109 0.731 -11.356 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -2.862 1.557 -9.800 1.00 0.00 H new ATOM 1194 N VAL A 79 2.004 0.859 -10.114 1.00 0.00 N ATOM 1195 CA VAL A 79 3.278 0.147 -10.290 1.00 0.00 C ATOM 1196 C VAL A 79 3.332 -1.108 -9.411 1.00 0.00 C ATOM 1197 O VAL A 79 3.993 -2.082 -9.752 1.00 0.00 O ATOM 1198 CB VAL A 79 4.484 1.036 -9.958 1.00 0.00 C ATOM 1199 CG1 VAL A 79 4.623 2.136 -11.015 1.00 0.00 C ATOM 1200 CG2 VAL A 79 4.310 1.672 -8.579 1.00 0.00 C ATOM 0 H VAL A 79 2.091 1.827 -9.803 1.00 0.00 H new ATOM 0 HA VAL A 79 3.331 -0.136 -11.341 1.00 0.00 H new ATOM 0 HB VAL A 79 5.383 0.419 -9.953 1.00 0.00 H new ATOM 0 HG11 VAL A 79 5.480 2.765 -10.775 1.00 0.00 H new ATOM 0 HG12 VAL A 79 4.769 1.682 -11.995 1.00 0.00 H new ATOM 0 HG13 VAL A 79 3.719 2.745 -11.028 1.00 0.00 H new ATOM 0 HG21 VAL A 79 5.173 2.300 -8.356 1.00 0.00 H new ATOM 0 HG22 VAL A 79 3.406 2.281 -8.571 1.00 0.00 H new ATOM 0 HG23 VAL A 79 4.227 0.889 -7.825 1.00 0.00 H new ATOM 1210 N MET A 80 2.628 -1.067 -8.278 1.00 0.00 N ATOM 1211 CA MET A 80 2.593 -2.205 -7.349 1.00 0.00 C ATOM 1212 C MET A 80 2.284 -3.526 -8.069 1.00 0.00 C ATOM 1213 O MET A 80 2.838 -4.571 -7.721 1.00 0.00 O ATOM 1214 CB MET A 80 1.519 -1.976 -6.280 1.00 0.00 C ATOM 1215 CG MET A 80 2.151 -1.371 -5.026 1.00 0.00 C ATOM 1216 SD MET A 80 0.905 -1.259 -3.720 1.00 0.00 S ATOM 1217 CE MET A 80 0.950 0.538 -3.509 1.00 0.00 C ATOM 0 H MET A 80 2.076 -0.263 -7.980 1.00 0.00 H new ATOM 0 HA MET A 80 3.581 -2.277 -6.895 1.00 0.00 H new ATOM 0 HB2 MET A 80 0.747 -1.310 -6.665 1.00 0.00 H new ATOM 0 HB3 MET A 80 1.033 -2.920 -6.033 1.00 0.00 H new ATOM 0 HG2 MET A 80 2.987 -1.986 -4.694 1.00 0.00 H new ATOM 0 HG3 MET A 80 2.551 -0.382 -5.248 1.00 0.00 H new ATOM 0 HE1 MET A 80 1.372 0.779 -2.534 1.00 0.00 H new ATOM 0 HE2 MET A 80 1.567 0.981 -4.291 1.00 0.00 H new ATOM 0 HE3 MET A 80 -0.062 0.938 -3.575 1.00 0.00 H new ATOM 1227 N MET A 81 1.384 -3.478 -9.058 1.00 0.00 N ATOM 1228 CA MET A 81 1.000 -4.691 -9.791 1.00 0.00 C ATOM 1229 C MET A 81 2.027 -5.075 -10.870 1.00 0.00 C ATOM 1230 O MET A 81 2.289 -6.261 -11.082 1.00 0.00 O ATOM 1231 CB MET A 81 -0.394 -4.530 -10.424 1.00 0.00 C ATOM 1232 CG MET A 81 -0.407 -3.396 -11.454 1.00 0.00 C ATOM 1233 SD MET A 81 -1.669 -3.734 -12.706 1.00 0.00 S ATOM 1234 CE MET A 81 -2.167 -2.018 -12.999 1.00 0.00 C ATOM 0 H MET A 81 0.914 -2.627 -9.366 1.00 0.00 H new ATOM 0 HA MET A 81 0.972 -5.501 -9.062 1.00 0.00 H new ATOM 0 HB2 MET A 81 -0.689 -5.464 -10.903 1.00 0.00 H new ATOM 0 HB3 MET A 81 -1.129 -4.326 -9.645 1.00 0.00 H new ATOM 0 HG2 MET A 81 -0.613 -2.445 -10.962 1.00 0.00 H new ATOM 0 HG3 MET A 81 0.572 -3.306 -11.924 1.00 0.00 H new ATOM 0 HE1 MET A 81 -3.147 -2.000 -13.475 1.00 0.00 H new ATOM 0 HE2 MET A 81 -2.215 -1.486 -12.049 1.00 0.00 H new ATOM 0 HE3 MET A 81 -1.439 -1.534 -13.650 1.00 0.00 H new ATOM 1244 N VAL A 82 2.595 -4.077 -11.552 1.00 0.00 N ATOM 1245 CA VAL A 82 3.583 -4.346 -12.613 1.00 0.00 C ATOM 1246 C VAL A 82 4.975 -4.640 -12.036 1.00 0.00 C ATOM 1247 O VAL A 82 5.751 -5.386 -12.635 1.00 0.00 O ATOM 1248 CB VAL A 82 3.693 -3.167 -13.591 1.00 0.00 C ATOM 1249 CG1 VAL A 82 2.371 -2.984 -14.342 1.00 0.00 C ATOM 1250 CG2 VAL A 82 4.029 -1.883 -12.830 1.00 0.00 C ATOM 0 H VAL A 82 2.396 -3.089 -11.396 1.00 0.00 H new ATOM 0 HA VAL A 82 3.225 -5.227 -13.146 1.00 0.00 H new ATOM 0 HB VAL A 82 4.488 -3.379 -14.306 1.00 0.00 H new ATOM 0 HG11 VAL A 82 2.458 -2.146 -15.033 1.00 0.00 H new ATOM 0 HG12 VAL A 82 2.141 -3.892 -14.900 1.00 0.00 H new ATOM 0 HG13 VAL A 82 1.572 -2.784 -13.628 1.00 0.00 H new ATOM 0 HG21 VAL A 82 4.105 -1.053 -13.532 1.00 0.00 H new ATOM 0 HG22 VAL A 82 3.243 -1.674 -12.105 1.00 0.00 H new ATOM 0 HG23 VAL A 82 4.979 -2.006 -12.310 1.00 0.00 H new ATOM 1260 N ARG A 83 5.286 -4.050 -10.873 1.00 0.00 N ATOM 1261 CA ARG A 83 6.592 -4.263 -10.231 1.00 0.00 C ATOM 1262 C ARG A 83 6.818 -5.743 -9.917 1.00 0.00 C ATOM 1263 O ARG A 83 7.958 -6.199 -9.826 1.00 0.00 O ATOM 1264 CB ARG A 83 6.689 -3.468 -8.925 1.00 0.00 C ATOM 1265 CG ARG A 83 6.987 -2.003 -9.244 1.00 0.00 C ATOM 1266 CD ARG A 83 7.677 -1.342 -8.046 1.00 0.00 C ATOM 1267 NE ARG A 83 9.041 -0.931 -8.393 1.00 0.00 N ATOM 1268 CZ ARG A 83 9.293 0.208 -9.058 1.00 0.00 C ATOM 1269 NH1 ARG A 83 8.315 1.003 -9.430 1.00 0.00 N ATOM 1270 NH2 ARG A 83 10.529 0.530 -9.339 1.00 0.00 N ATOM 0 H ARG A 83 4.659 -3.428 -10.362 1.00 0.00 H new ATOM 0 HA ARG A 83 7.354 -3.921 -10.931 1.00 0.00 H new ATOM 0 HB2 ARG A 83 5.756 -3.548 -8.368 1.00 0.00 H new ATOM 0 HB3 ARG A 83 7.475 -3.881 -8.292 1.00 0.00 H new ATOM 0 HG2 ARG A 83 7.625 -1.935 -10.126 1.00 0.00 H new ATOM 0 HG3 ARG A 83 6.062 -1.477 -9.479 1.00 0.00 H new ATOM 0 HD2 ARG A 83 7.102 -0.474 -7.723 1.00 0.00 H new ATOM 0 HD3 ARG A 83 7.704 -2.037 -7.207 1.00 0.00 H new ATOM 0 HE ARG A 83 9.822 -1.528 -8.121 1.00 0.00 H new ATOM 0 HH11 ARG A 83 7.349 0.758 -9.214 1.00 0.00 H new ATOM 0 HH12 ARG A 83 8.522 1.865 -9.935 1.00 0.00 H new ATOM 0 HH21 ARG A 83 11.293 -0.082 -9.053 1.00 0.00 H new ATOM 0 HH22 ARG A 83 10.729 1.393 -9.844 1.00 0.00 H new ATOM 1284 N CYS A 84 5.718 -6.486 -9.760 1.00 0.00 N ATOM 1285 CA CYS A 84 5.799 -7.919 -9.460 1.00 0.00 C ATOM 1286 C CYS A 84 6.527 -8.674 -10.579 1.00 0.00 C ATOM 1287 O CYS A 84 7.134 -9.720 -10.335 1.00 0.00 O ATOM 1288 CB CYS A 84 4.398 -8.516 -9.291 1.00 0.00 C ATOM 1289 SG CYS A 84 3.677 -7.936 -7.735 1.00 0.00 S ATOM 0 H CYS A 84 4.768 -6.123 -9.835 1.00 0.00 H new ATOM 0 HA CYS A 84 6.358 -8.027 -8.530 1.00 0.00 H new ATOM 0 HB2 CYS A 84 3.764 -8.225 -10.128 1.00 0.00 H new ATOM 0 HB3 CYS A 84 4.452 -9.605 -9.295 1.00 0.00 H new ATOM 0 HG CYS A 84 3.401 -6.669 -7.830 1.00 0.00 H new